A0A077YVW3_TRITR Loading...

Protein CLP 1, d

AlphaFold DB , UniProt , Accession A0A077YVW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 582 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	28.1	Very low	247 Å²	247	140.9 Å²	140.9	100%	1.217	88%	0.882	S	S	*	*				0	129.2	0	-101.8	-162.2	-84	0	0	108.7
2	G	31.9	Very low	27.7	Very low	85 Å²	85	144.2 Å²	144.2	88%	0.876	89%	0.887	S	S	*	*			trans	79.3	133.8	162.3	0	0	0	0	0	114.9
3	G	30.3	Very low	27.6	Very low	78 Å²	78	145.5 Å²	145.5	80%	0.804	88%	0.884	S	S	*	*			cis	179	122.6	4	0	0	0	0	0	107.7
4	G	24.3	Very low	27.7	Very low	84 Å²	84	143.4 Å²	143.4	87%	0.866	87%	0.874	S	S	*	*			trans	-80.2	121	172.5	0	0	0	0	0	110.5
5	K	29.9	Very low	27.5	Very low	217 Å²	217	141.9 Å²	141.9	94%	0.943	87%	0.873	S	S	*	*			trans	-151.9	134.7	159.8	-84	-168.6	177.5	178.3	0	108.5
6	G	30.4	Very low	27.5	Very low	80 Å²	80	138.4 Å²	138.4	83%	0.825	86%	0.863	S	S	*	*			trans	140.6	72.7	160.5	0	0	0	0	0	114.8	G8	G6-G8 PolarHBondContact O-N 3.3Å
7	K	26.6	Very low	27.3	Very low	224 Å²	224	137.1 Å²	137.1	97%	0.974	86%	0.858	S	S	*	*			trans	-67.9	121.5	158.8	-74.2	-180	172.9	-178.8	0	108.3
8	G	27.2	Very low	27.1	Very low	67 Å²	67	139 Å²	139	69%	0.691	86%	0.857	S	S	*	*			trans	-149.7	117	172.6	0	0	0	0	0	110	G6 I10	G6-G8 PolarHBondContact O-N 3.3Å; G8-I10 PolarHBondContact O-N 3.15Å
9	K	24.9	Very low	27	Very low	216 Å²	216	138 Å²	138	94%	0.939	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-54.3	125.2	-176.5	-70.1	167.8	168.4	178.9	0	111.8
10	I	27.3	Very low	26.8	Very low	164 Å²	164	136.9 Å²	136.9	84%	0.841	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-99.9	118.1	168.1	-63.9	175.3	0	0	0	107.5	G8	G8-I10 PolarHBondContact O-N 3.15Å
11	A	26.4	Very low	27	Very low	88 Å²	88	135 Å²	135	73%	0.727	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71	133	173.1	0	0	0	0	0	109.8	L13	A11-L13 PolarHBondContact O-N 3.4Å
12	L	23.3	Very low	26.8	Very low	180 Å²	180	131.2 Å²	131.2	94%	0.942	82%	0.817	S	S	*	*			trans	-70.5	112.4	176.2	-71.2	153.4	0	0	0	109.1
13	L	27.4	Very low	26.6	Very low	162 Å²	162	135.2 Å²	135.2	85%	0.848	81%	0.811	S	S	*	*			trans	-106.9	142.2	162.1	-81	167.3	0	0	0	108.5	A11	A11-L13 PolarHBondContact O-N 3.4Å
14	P	28.4	Very low	26.7	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	80%	0.799	S	S	*	*			trans	-77.5	141.6	-158.6	30.5	-33.8	0	0	0	112.8	A16	P14-A16 PolarHBondContact O-N 3.11Å
15	S	25.2	Very low	27	Very low	122 Å²	122	139.4 Å²	139.4	85%	0.853	79%	0.79	S	S	*	*			trans	-60.1	88.6	176.6	43.2	0	0	0	0	112.1	C17	S15-C17 PolarHBondContact O-N 2.94Å
16	A	26.8	Very low	27	Very low	86 Å²	86	132 Å²	132	71%	0.711	77%	0.766	S	S	*	*			trans	-76.1	105.3	158.6	0	0	0	0	0	107.8	P14 M18	P14-A16 PolarHBondContact O-N 3.11Å; A16-M18 VanDerWaalsContact C-N 3.31Å; A16-M18 PolarHBondContact O-N 3.14Å
17	C	25	Very low	27.3	Very low	116 Å²	116	131.9 Å²	131.9	78%	0.784	75%	0.752	S	S	*	*			trans	-66.6	85	176.7	-149.8	0	0	0	0	109.1	S15 V19	S15-C17 PolarHBondContact O-N 2.94Å; C17-V19 VanDerWaalsContact C-N 3.3Å; C17-V19 PolarHBondContact O-N 2.97Å; C17-V19 VanDerWaalsContact O-N 3.1Å
18	M	23.4	Very low	27.6	Very low	171 Å²	171	129.7 Å²	129.7	84%	0.842	74%	0.738	S	S	*	*			trans	-76.3	87.4	164.8	-75.4	-171.9	-167.9	0	0	108.1	A16 T20	A16-M18 VanDerWaalsContact C-N 3.31Å; A16-M18 PolarHBondContact O-N 3.14Å; M18-T20 VanDerWaalsContact C-N 3.28Å; M18-T20 PolarHBondContact O-N 3.11Å
19	V	25.1	Very low	27.8	Very low	120 Å²	120	135 Å²	135	73%	0.727	74%	0.742	S	S	*	*			trans	-80.2	82.7	163.3	-174.5	0	0	0	0	106.8	C17	C17-V19 VanDerWaalsContact C-N 3.3Å; C17-V19 PolarHBondContact O-N 2.97Å; C17-V19 VanDerWaalsContact O-N 3.1Å
20	T	23.2	Very low	28.3	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	73%	0.729	S	S	*	*			trans	-84.5	123	159.7	34	0	0	0	0	107.6	M18 L22	M18-T20 VanDerWaalsContact C-N 3.28Å; M18-T20 PolarHBondContact O-N 3.11Å; T20-L22 PolarHBondContact O-N 3.28Å
21	P	30	Very low	29.1	Very low	97 Å²	97	124.5 Å²	124.5	63%	0.63	70%	0.704	S	S	*	*			trans	-74.1	105.5	-175.1	28.6	-30.5	0	0	0	108.5	F23	P21-F23 HydrophobicContact CB-CD2 4.36Å; P21-F23 HydrophobicContact CG-CD2 4.41Å; P21-F23 HydrophobicContact CG-CE2 4.36Å; P21-F23 PolarHBondContact O-N 3.02Å
22	L	26.4	Very low	29.7	Very low	169 Å²	169	127 Å²	127	89%	0.885	71%	0.705	S	S	*	*			trans	-62.3	89.8	156.2	-85.7	156.5	0	0	0	106.6	T20 D24	T20-L22 PolarHBondContact O-N 3.28Å; L22-D24 PolarHBondContact O-N 3.4Å
23	F	28	Very low	30.6	Very low	168 Å²	168	120.8 Å²	120.8	74%	0.737	68%	0.684	S	S	*	*			trans	-55.1	92.9	160.4	-93.3	-89.8	0	0	0	107.2	P21 H25	P21-F23 HydrophobicContact CB-CD2 4.36Å; P21-F23 HydrophobicContact CG-CD2 4.41Å; P21-F23 HydrophobicContact CG-CE2 4.36Å; P21-F23 PolarHBondContact O-N 3.02Å; F23-H25 PolarHBondContact O-N 3.46Å; F23-H25 VanDerWaalsContact O-N 3.11Å
24	D	30.8	Very low	31.3	Very low	106 Å²	106	114.4 Å²	114.4	57%	0.567	65%	0.654	S	S	*	*			trans	-68	109.1	-179.1	-167.4	12	0	0	0	108.3	L22 S26 S27	L22-D24 PolarHBondContact O-N 3.4Å; D24-S26 PolarHBondContact O-N 3.48Å; D24-S26 PolarHBondContact OD1-OG 3.37Å; D24-S26 PolarHBondContact OD2-OG 3.07Å; D24-S27 PolarHBondContact O-N 3.36Å; D24-S27 VanDerWaalsContact O-N 3.14Å; D24-S27 PolarHBondContact O-OG 3.39Å
25	H	32	Very low	32.1	Very low	144 Å²	144	111.7 Å²	111.7	67%	0.667	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-8.4	-179.9	-94.4	-89	0	0	0	113.6	F23	F23-H25 PolarHBondContact O-N 3.46Å; F23-H25 VanDerWaalsContact O-N 3.11Å
26	S	30	Very low	33.2	Very low	62 Å²	62	116.9 Å²	116.9	43%	0.434	63%	0.632	S	S	.	*	H	α-helix	trans	-67.3	-31	173.5	64.1	0	0	0	0	113.2	D24	D24-S26 PolarHBondContact O-N 3.48Å; D24-S26 PolarHBondContact OD1-OG 3.37Å; D24-S26 PolarHBondContact OD2-OG 3.07Å
27	S	35	Very low	34.5	Very low	78 Å²	78	121.3 Å²	121.3	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-73.5	-31.5	-177.3	55	0	0	0	0	114	D24 F29 I30 G31	D24-S27 PolarHBondContact O-N 3.36Å; D24-S27 VanDerWaalsContact O-N 3.14Å; D24-S27 PolarHBondContact O-OG 3.39Å; S27-F29 PolarHBondContact O-N 2.91Å; S27-I30 PolarHBondContact O-N 3.23Å; S27-G31 PolarHBondContact O-N 3.38Å
28	R	33.1	Very low	36	Very low	178 Å²	178	119 Å²	119	67%	0.672	61%	0.612	S	S	*	*	H	α-helix	trans	-70.4	-30.1	179.2	-82	-172.1	179.5	179.6	1.2	113.9	L32	R28-L32 PolarHBondContact O-N 2.91Å
29	F	31.2	Very low	38.4	Very low	177 Å²	177	111.6 Å²	111.6	78%	0.776	58%	0.581	S	S	*	*	H	α-helix	trans	-80.7	-25.3	178.9	-82.8	-77.8	0	0	0	113.2	S27	S27-F29 PolarHBondContact O-N 2.91Å
30	I	36.6	Very low	41	Very low	130 Å²	130	106 Å²	106	67%	0.667	55%	0.547	S	S	*	.	H	α-helix	trans	-76.7	-33.9	173.6	-60.8	176.7	0	0	0	110.5	S27 A34	S27-I30 PolarHBondContact O-N 3.23Å; I30-A34 WeakPolarHBondContact O-CB 3.3Å; I30-A34 PolarHBondContact O-N 3Å
31	G	42.7	Very low	43.7	Very low	31 Å²	31	102.7 Å²	102.7	32%	0.32	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-48.5	179.5	0	0	0	0	0	114.7	S27 G33 A34 H35	S27-G31 PolarHBondContact O-N 3.38Å; G31-G33 PolarHBondContact O-N 3.49Å; G31-A34 PolarHBondContact O-N 3.2Å; G31-H35 PolarHBondContact O-CD2 3.09Å
32	L	39.7	Very low	45.9	Very low	141 Å²	141	101.6 Å²	101.6	74%	0.738	52%	0.517	S	S	*	.	H	α-helix	trans	-73.3	-29.4	-175.3	-90	146	0	0	0	113.8	R28	R28-L32 PolarHBondContact O-N 2.91Å
33	G	41.5	Very low	48.4	Very low	49 Å²	49	101.3 Å²	101.3	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-76.6	-30.2	174.6	0	0	0	0	0	113.4	G31	G31-G33 PolarHBondContact O-N 3.49Å
34	A	43.6	Very low	50.7	Low	27 Å²	27	95.2 Å²	95.2	22%	0.223	49%	0.488	C	S	.	.	H	α-helix	trans	-69.3	-42.5	-178	0	0	0	0	0	112.9	I30 G31 R36 F37 F38	I30-A34 WeakPolarHBondContact O-CB 3.3Å; I30-A34 PolarHBondContact O-N 3Å; G31-A34 PolarHBondContact O-N 3.2Å; A34-R36 PolarHBondContact O-N 3.33Å; A34-F37 WeakPolarHBondContact O-CA 3.43Å; A34-F37 WeakPolarHBondContact O-CB 3.34Å; A34-F37 PolarHBondContact O-N 3.22Å; A34-F38 HydrophobicContact CB-CD2 4.11Å; A34-F38 HydrophobicContact CB-CE2 3.9Å; A34-F38 WeakPolarHBondContact O-CD2 3.37Å; A34-F38 PolarHBondContact O-N 3.36Å
35	H	44.6	Very low	53.1	Low	58 Å²	58	90.3 Å²	90.3	27%	0.269	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-33.1	-174	-69.1	-64.8	0	0	0	114.1	G31 F37 G39	G31-H35 PolarHBondContact O-CD2 3.09Å; H35-F37 PolarHBondContact O-N 2.9Å; H35-G39 PolarHBondContact O-N 2.95Å
36	R	48.2	Very low	55.4	Low	232 Å²	232	87.6 Å²	87.6	88%	0.875	45%	0.446	S	S	*	.	H	α-helix	trans	-67.3	-23.7	169.5	-83.6	-171.8	178.5	-179.1	0.8	113	A34	A34-R36 PolarHBondContact O-N 3.33Å
37	F	54	Low	57.9	Low	179 Å²	179	86 Å²	86	79%	0.785	43%	0.432	S	S	*	.	H	α-helix	trans	-85	-30.9	-178.2	-145.3	-87	0	0	0	112.6	A34 H35	A34-F37 WeakPolarHBondContact O-CA 3.43Å; A34-F37 WeakPolarHBondContact O-CB 3.34Å; A34-F37 PolarHBondContact O-N 3.22Å; H35-F37 PolarHBondContact O-N 2.9Å
38	F	57.5	Low	59.9	Low	66 Å²	66	86 Å²	86	29%	0.289	43%	0.426	S	S	.	.	H	α-helix	trans	-95.6	-3.1	-177.5	-64.1	-61.8	0	0	0	114.8	A34 D75	A34-F38 HydrophobicContact CB-CD2 4.11Å; A34-F38 HydrophobicContact CB-CE2 3.9Å; A34-F38 WeakPolarHBondContact O-CD2 3.37Å; A34-F38 PolarHBondContact O-N 3.36Å; F38-D75 WeakPolarHBondContact CB-OD1 3.4Å; F38-D75 WeakPolarHBondContact CD2-OD1 3.42Å
39	G	73	Confident	62	Low	17 Å²	17	81.7 Å²	81.7	18%	0.175	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	40.9	172.9	0	0	0	0	0	113.1	H35 I47 L48	H35-G39 PolarHBondContact O-N 2.95Å; G39-I47 CarbonylContact O-C 3.39Å; G39-I47 WeakPolarHBondContact O-CA 3.27Å; G39-L48 PolarHBondContact O-N 3.12Å
40	I	79.3	Confident	64.3	Low	3 Å²	3	74.4 Å²	74.4	2%	0.015	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-128.4	133.3	171.5	-58.5	171.3	0	0	0	109.5	R46 L74 D75 I78	I40-R46 CarbonylContact C-O 3.44Å; I40-R46 VanDerWaalsContact CA-O 3.26Å; I40-R46 WeakPolarHBondContact CA-O 3.34Å; I40-L74 HydrophobicContact CD1-CB 4.28Å; I40-L74 HydrophobicContact CD1-CD2 4.29Å; I40-L74 HydrophobicContact CD1-CG 3.85Å; I40-L74 HydrophobicContact CG2-CD2 4.45Å; I40-D75 HydrophobicContact CD1-CB 3.81Å; I40-D75 VanDerWaalsContact CD1-N 3.33Å; I40-I78 HydrophobicContact CD1-CD1 3.92Å; I40-I78 HydrophobicContact CG1-CD1 3.98Å
41	D	81.1	Confident	66.3	Low	44 Å²	44	72.2 Å²	72.2	24%	0.235	40%	0.396	C	S	.	.			trans	-71.2	120.1	171.9	-168.5	-42.8	0	0	0	109.8	E43 T44 G45 R46 L48	D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact O-N 2.92Å; D41-E43 WeakPolarHBondContact OD1-CB 3.33Å; D41-E43 PolarHBondContact OD1-N 2.96Å; D41-T44 WeakPolarHBondContact CB-OG1 3.19Å; D41-G45 VanDerWaalsContact O-CA 3.31Å; D41-G45 WeakPolarHBondContact O-CA 3.07Å; D41-G45 PolarHBondContact O-N 3.31Å; D41-R46 HydrophobicContact CB-CB 3.94Å; D41-R46 PolarHBondContact N-O 3.37Å; D41-L48 HydrophobicContact CB-CD2 4.1Å; D41-L48 HydrophobicContact CB-CG 4.46Å
42	P	75.8	Confident	68.2	Low	74 Å²	74	71.9 Å²	71.9	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.2	-178.3	28.5	-35.4	0	0	0	113.6	K71	P42-K71 WeakPolarHBondContact O-CE 3.17Å; P42-K71 PolarHBondContact O-NZ 3.32Å
43	E	77.7	Confident	70.1	Confident	163 Å²	163	65.2 Å²	65.2	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-44.3	-178.3	-65.2	-170.1	172.1	0	0	111.3	D41 K71	D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact O-N 2.92Å; D41-E43 WeakPolarHBondContact OD1-CB 3.33Å; D41-E43 PolarHBondContact OD1-N 2.96Å; E43-K71 PolarHBondContact O-NZ 2.89Å
44	T	78	Confident	72.1	Confident	40 Å²	40	63.6 Å²	63.6	25%	0.245	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-34.7	-175	60.7	0	0	0	0	113	D41 R46 N64 L66	D41-T44 WeakPolarHBondContact CB-OG1 3.19Å; T44-R46 WeakPolarHBondContact OG1-CB 3.49Å; T44-R46 PolarHBondContact OG1-N 2.74Å; T44-N64 CarbonylContact C-O 3.49Å; T44-L66 PolarHBondContact O-N 3.31Å
45	G	79.6	Confident	74	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.031	36%	0.359	C	S	.	.			trans	90.8	4.8	-165.8	0	0	0	0	0	113	D41 L74	D41-G45 VanDerWaalsContact O-CA 3.31Å; D41-G45 WeakPolarHBondContact O-CA 3.07Å; D41-G45 PolarHBondContact O-N 3.31Å; G45-L74 WeakPolarHBondContact O-CD2 3.48Å
46	R	80.7	Confident	75.8	Confident	88 Å²	88	69.5 Å²	69.5	33%	0.332	36%	0.364	S	S	.	.			trans	-58.9	138.2	175.3	165.6	167.6	-151	173.4	-11.9	112.5	I40 D41 T44 L48 D63 E211	I40-R46 CarbonylContact C-O 3.44Å; I40-R46 VanDerWaalsContact CA-O 3.26Å; I40-R46 WeakPolarHBondContact CA-O 3.34Å; D41-R46 HydrophobicContact CB-CB 3.94Å; D41-R46 PolarHBondContact N-O 3.37Å; T44-R46 WeakPolarHBondContact OG1-CB 3.49Å; T44-R46 PolarHBondContact OG1-N 2.74Å; R46-L48 PolarHBondContact O-N 2.99Å; R46-D63 HydrophobicContact CB-CB 4.45Å; R46-D63 VanDerWaalsContact CD-OD2 3.31Å; R46-D63 WeakPolarHBondContact CD-OD2 3.44Å; R46-D63 IonicContact CZ-OD1 3.4Å; R46-D63 IonicContact CZ-OD2 3.83Å; R46-D63 IonicContact NE-OD2 2.75Å; R46-D63 IonicContact NH1-OD1 3.97Å; R46-D63 IonicContact NH1-OD2 3.86Å; R46-D63 PolarHBondContact NH1-OD2 2.82Å; R46-E211 VanDerWaalsContact CD-OE1 3.28Å; R46-E211 WeakPolarHBondContact CD-OE1 3.32Å; R46-E211 HydrophobicContact CG-CG 3.95Å; R46-E211 VanDerWaalsContact CG-OE1 3.24Å; R46-E211 WeakPolarHBondContact CG-OE1 3.5Å; R46-E211 IonicContact CZ-OE1 2.73Å; R46-E211 IonicContact NE-OE1 2.79Å; R46-E211 PolarHBondContact NE-OE1 3.38Å; R46-E211 IonicContact NH2-OE1 3.38Å
47	I	82.5	Confident	77.5	Confident	27 Å²	27	60.5 Å²	60.5	14%	0.138	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-77.5	108.2	171.6	-48	177.2	0	0	0	109.8	G39 G49 S50 L74 I78 E211	G39-I47 CarbonylContact O-C 3.39Å; G39-I47 WeakPolarHBondContact O-CA 3.27Å; I47-G49 PolarHBondContact O-N 2.87Å; I47-S50 PolarHBondContact O-N 3.02Å; I47-S50 PolarHBondContact O-OG 2.95Å; I47-L74 HydrophobicContact CG1-CD2 4.41Å; I47-I78 HydrophobicContact CB-CD1 4.41Å; I47-I78 HydrophobicContact CD1-CD1 3.75Å; I47-I78 HydrophobicContact CG1-CD1 3.71Å; I47-I78 HydrophobicContact CG2-CD1 3.96Å; I47-E211 HydrophobicContact CB-CB 4.32Å; I47-E211 HydrophobicContact CB-CG 4.11Å
48	L	77.4	Confident	78.9	Confident	80 Å²	80	54.9 Å²	54.9	42%	0.419	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	127.7	178.7	-58.3	173.5	0	0	0	111	G39 D41 R46 S50	G39-L48 PolarHBondContact O-N 3.12Å; D41-L48 HydrophobicContact CB-CD2 4.1Å; D41-L48 HydrophobicContact CB-CG 4.46Å; R46-L48 PolarHBondContact O-N 2.99Å; L48-S50 VanDerWaalsContact C-N 3.33Å
49	G	76.3	Confident	79.9	Confident	86 Å²	86	52.7 Å²	52.7	89%	0.887	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	1.9	179.8	0	0	0	0	0	114.6	I47	I47-G49 PolarHBondContact O-N 2.87Å
50	S	80.2	Confident	80.3	Confident	25 Å²	25	53.6 Å²	53.6	18%	0.175	33%	0.325	C	S	.	.			trans	-66.1	158.8	169.4	65.4	0	0	0	0	111.8	I47 L48 A52 E211	I47-S50 PolarHBondContact O-N 3.02Å; I47-S50 PolarHBondContact O-OG 2.95Å; L48-S50 VanDerWaalsContact C-N 3.33Å; S50-A52 PolarHBondContact O-N 2.94Å; S50-E211 VanDerWaalsContact OG-CB 3.25Å; S50-E211 WeakPolarHBondContact OG-CB 3.35Å; S50-E211 WeakPolarHBondContact OG-CG 3.45Å
51	I	78.1	Confident	80.2	Confident	83 Å²	83	54.1 Å²	54.1	43%	0.426	33%	0.331	S	S	.	.			trans	-69.6	126.8	172.4	-61.9	176.4	0	0	0	108.4	G53 I56 L123 N212	I51-G53 PolarHBondContact O-N 2.75Å; I51-I56 HydrophobicContact CG2-CD1 3.3Å; I51-I56 HydrophobicContact CG2-CG1 4.44Å; I51-L123 HydrophobicContact CD1-CB 4.49Å; I51-L123 HydrophobicContact CD1-CD1 4.34Å; I51-L123 HydrophobicContact CG2-CD2 4.18Å; I51-N212 PolarHBondContact N-OD1 3.27Å; I51-N212 WeakPolarHBondContact O-CA 3.38Å; I51-N212 PolarHBondContact O-N 3.45Å
52	A	82.7	Confident	80.2	Confident	25 Å²	25	56.5 Å²	56.5	21%	0.207	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-75.8	77.9	173.9	0	0	0	0	0	109.6	S50 N54 L55 I56	S50-A52 PolarHBondContact O-N 2.94Å; A52-N54 PolarHBondContact O-N 3.03Å; A52-L55 HydrophobicContact CB-CB 4.18Å; A52-L55 HydrophobicContact CB-CD1 3.66Å; A52-L55 HydrophobicContact CB-CG 3.91Å; A52-L55 WeakPolarHBondContact O-CB 3.38Å; A52-L55 PolarHBondContact O-N 3.31Å; A52-I56 PolarHBondContact O-N 3.29Å
53	G	80.1	Confident	80.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-35.8	-173	0	0	0	0	0	112.3	I51 L55 I56 F57 T210 Y213	I51-G53 PolarHBondContact O-N 2.75Å; G53-L55 VanDerWaalsContact C-N 3.29Å; G53-L55 PolarHBondContact O-N 2.9Å; G53-I56 WeakPolarHBondContact O-CB 3.36Å; G53-I56 PolarHBondContact O-N 3.44Å; G53-I56 VanDerWaalsContact O-N 3.11Å; G53-F57 WeakPolarHBondContact O-CD2 3.25Å; G53-F57 PolarHBondContact O-N 2.87Å; G53-T210 PolarHBondContact N-O 2.81Å; G53-Y213 VanDerWaalsContact CA-O 3.25Å; G53-Y213 WeakPolarHBondContact CA-O 3.41Å
54	N	83	Confident	80.5	Confident	16 Å²	16	47.3 Å²	47.3	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-32.6	174.8	66	-35.5	0	0	0	115.2	A52 G58 L59 G60 F209	A52-N54 PolarHBondContact O-N 3.03Å; N54-G58 WeakPolarHBondContact O-CA 3.04Å; N54-G58 PolarHBondContact O-N 2.7Å; N54-L59 HydrophobicContact CB-CB 4.31Å; N54-L59 PolarHBondContact O-N 2.79Å; N54-G60 WeakPolarHBondContact CB-O 3.32Å; N54-G60 PolarHBondContact ND2-O 3.32Å; N54-F209 WeakPolarHBondContact CB-O 3.37Å
55	L	83.3	Confident	80.8	Confident	137 Å²	137	48.2 Å²	48.2	72%	0.717	30%	0.297	S	S	*	.	H	α-helix	trans	-70.7	-37.6	174.2	-63.2	-179.3	0	0	0	110.7	A52 G53 F57	A52-L55 HydrophobicContact CB-CB 4.18Å; A52-L55 HydrophobicContact CB-CD1 3.66Å; A52-L55 HydrophobicContact CB-CG 3.91Å; A52-L55 WeakPolarHBondContact O-CB 3.38Å; A52-L55 PolarHBondContact O-N 3.31Å; G53-L55 VanDerWaalsContact C-N 3.29Å; G53-L55 PolarHBondContact O-N 2.9Å; L55-F57 VanDerWaalsContact C-N 3.34Å
56	I	82.6	Confident	81.1	Confident	71 Å²	71	48.4 Å²	48.4	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-45.6	174	-62.9	176.7	0	0	0	110.2	I51 A52 G53 E126	I51-I56 HydrophobicContact CG2-CD1 3.3Å; I51-I56 HydrophobicContact CG2-CG1 4.44Å; A52-I56 PolarHBondContact O-N 3.29Å; G53-I56 WeakPolarHBondContact O-CB 3.36Å; G53-I56 PolarHBondContact O-N 3.44Å; G53-I56 VanDerWaalsContact O-N 3.11Å; I56-E126 HydrophobicContact CG2-CB 4.38Å; I56-E126 HydrophobicContact CG2-CG 4.1Å
57	F	85.3	Confident	81.3	Confident	43 Å²	43	45.5 Å²	45.5	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-92.8	-1.1	-173.7	-63.7	-64.5	0	0	0	114.9	G53 L55 L59 L123 E126 I127 L128 Y213 A214	G53-F57 WeakPolarHBondContact O-CD2 3.25Å; G53-F57 PolarHBondContact O-N 2.87Å; L55-F57 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.31Å; F57-L123 HydrophobicContact CE2-CD2 4.34Å; F57-E126 VanDerWaalsContact CE1-C 3.42Å; F57-E126 WeakPolarHBondContact CE1-O 3.3Å; F57-I127 VanDerWaalsContact CE1-C 3.5Å; F57-I127 WeakPolarHBondContact CZ-O 3.29Å; F57-L128 HydrophobicContact CB-CD2 4.04Å; F57-L128 HydrophobicContact CD1-CD2 3.7Å; F57-L128 HydrophobicContact CD1-CG 3.77Å; F57-L128 HydrophobicContact CD2-CD2 3.62Å; F57-L128 HydrophobicContact CE1-CD2 4.01Å; F57-L128 HydrophobicContact CE1-CG 4.03Å; F57-L128 HydrophobicContact CE2-CD2 3.98Å; F57-L128 HydrophobicContact CG-CD2 3.5Å; F57-L128 VanDerWaalsContact CG-CD2 3.5Å; F57-L128 HydrophobicContact CG-CG 4.07Å; F57-L128 HydrophobicContact CZ-CD2 4.16Å; F57-Y213 HydrophobicContact CB-CE1 4.27Å; F57-Y213 AromaticContact CD2-CD1 3.91Å; F57-Y213 HydrophobicContact CD2-CD1 3.91Å; F57-Y213 HydrophobicContact CD2-CE1 4.08Å; F57-Y213 WeakPolarHBondContact CE2-O 3.49Å; F57-Y213 HydrophobicContact CG-CE1 4.47Å; F57-A214 HydrophobicContact CE2-CB 4.37Å
58	G	82.2	Confident	81.4	Confident	62 Å²	62	51.7 Å²	51.7	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	35.2	-177.8	0	0	0	0	0	113.4	N54	N54-G58 WeakPolarHBondContact O-CA 3.04Å; N54-G58 PolarHBondContact O-N 2.7Å
59	L	80.1	Confident	81.8	Confident	19 Å²	19	50.2 Å²	50.2	10%	0.099	32%	0.315	C	S	.	.			trans	-80.6	-22.5	-174	-161.7	90.6	0	0	0	113.2	N54 F57 P163 F209 Y213	N54-L59 HydrophobicContact CB-CB 4.31Å; N54-L59 PolarHBondContact O-N 2.79Å; F57-L59 PolarHBondContact O-N 3.31Å; L59-P163 HydrophobicContact CD2-CG 3.89Å; L59-F209 HydrophobicContact CD2-CD1 3.83Å; L59-Y213 HydrophobicContact CB-CE1 4.12Å; L59-Y213 HydrophobicContact CD1-CE1 3.91Å; L59-Y213 VanDerWaalsContact CD1-OH 3.28Å; L59-Y213 WeakPolarHBondContact CD1-OH 3.46Å; L59-Y213 HydrophobicContact CD2-CD1 4.26Å; L59-Y213 HydrophobicContact CD2-CD2 4.47Å; L59-Y213 HydrophobicContact CD2-CE1 3.7Å; L59-Y213 HydrophobicContact CD2-CE2 3.92Å; L59-Y213 HydrophobicContact CG-CE1 4.09Å
60	G	79.5	Confident	82.4	Confident	36 Å²	36	46.1 Å²	46.1	37%	0.371	27%	0.273	S	S	.	.			trans	75.7	-149.7	-160.6	0	0	0	0	0	110.7	N54	N54-G60 WeakPolarHBondContact CB-O 3.32Å; N54-G60 PolarHBondContact ND2-O 3.32Å
61	G	78.5	Confident	82.8	Confident	15 Å²	15	47.2 Å²	47.2	16%	0.155	27%	0.274	C	S	.	.			trans	99.4	158	177.2	0	0	0	0	0	114.8	D161 P163	G61-D161 PolarHBondContact N-O 3.18Å; G61-P163 VanDerWaalsContact CA-O 3.29Å; G61-P163 WeakPolarHBondContact CA-O 3.41Å
62	K	80.1	Confident	83.2	Confident	93 Å²	93	46.4 Å²	46.4	40%	0.404	27%	0.27	S	S	.	.			trans	-124	153.2	-179.7	-86.3	174.3	168.9	159	0	110.5	E162 P163 Q164 T210	K62-E162 HydrophobicContact CD-CB 4.38Å; K62-E162 WeakPolarHBondContact CD-OE2 3.41Å; K62-E162 VanDerWaalsContact CE-OE1 3.3Å; K62-E162 WeakPolarHBondContact CE-OE1 3.24Å; K62-E162 WeakPolarHBondContact CE-OE2 3.47Å; K62-E162 HydrophobicContact CG-CB 4.39Å; K62-E162 IonicContact NZ-OE1 3.04Å; K62-E162 IonicContact NZ-OE2 3.74Å; K62-E162 PolarHBondContact NZ-OE2 2.98Å; K62-P163 PolarHBondContact N-O 2.9Å; K62-Q164 HydrophobicContact CB-CG 3.56Å; K62-T210 WeakPolarHBondContact O-CG2 3.36Å
63	D	80.2	Confident	83.4	Confident	38 Å²	38	45.2 Å²	45.2	20%	0.203	26%	0.26	C	S	.	.			trans	-61.2	149.3	178.2	-55.4	-22.5	0	0	0	109.6	R46 V65 T210	R46-D63 HydrophobicContact CB-CB 4.45Å; R46-D63 VanDerWaalsContact CD-OD2 3.31Å; R46-D63 WeakPolarHBondContact CD-OD2 3.44Å; R46-D63 IonicContact CZ-OD1 3.4Å; R46-D63 IonicContact CZ-OD2 3.83Å; R46-D63 IonicContact NE-OD2 2.75Å; R46-D63 IonicContact NH1-OD1 3.97Å; R46-D63 IonicContact NH1-OD2 3.86Å; R46-D63 PolarHBondContact NH1-OD2 2.82Å; D63-V65 PolarHBondContact O-N 3.14Å; D63-T210 VanDerWaalsContact OD1-CB 3.32Å; D63-T210 WeakPolarHBondContact OD1-CB 3.44Å; D63-T210 WeakPolarHBondContact OD1-CG2 3.02Å; D63-T210 PolarHBondContact OD1-OG1 3.33Å
64	N	81.1	Confident	83.8	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.032	26%	0.261	C	S	.	.			trans	-58.1	140.6	175.9	-69.8	-14.3	0	0	0	110.1	T44 L66 L165 F166 Q207	T44-N64 CarbonylContact C-O 3.49Å; N64-L66 HydrophobicContact CB-CD2 4.17Å; N64-L66 HydrophobicContact CB-CG 4.11Å; N64-L165 WeakPolarHBondContact OD1-CB 3.46Å; N64-F166 HydrophobicContact CB-CD2 4.2Å; N64-Q207 PolarHBondContact ND2-O 3.1Å
65	V	83.3	Confident	84	Confident	59 Å²	59	45.1 Å²	45.1	36%	0.358	26%	0.26	S	S	.	.			trans	-103.7	91.3	168.2	-176.4	0	0	0	0	108.1	D63 G169	D63-V65 PolarHBondContact O-N 3.14Å; V65-G169 PolarHBondContact O-N 3.33Å
66	L	85.5	Confident	84.1	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.037	23%	0.231	C	C	.	.			trans	-85.7	142.3	-176.7	-63	179.9	0	0	0	112.3	T44 N64 K71 L74 F166 Y200 P205	T44-L66 PolarHBondContact O-N 3.31Å; N64-L66 HydrophobicContact CB-CD2 4.17Å; N64-L66 HydrophobicContact CB-CG 4.11Å; L66-K71 HydrophobicContact CB-CG 3.8Å; L66-K71 WeakPolarHBondContact O-CE 3.04Å; L66-L74 HydrophobicContact CD1-CB 4.43Å; L66-L74 HydrophobicContact CD1-CD2 3.74Å; L66-F166 HydrophobicContact CD2-CD2 3.43Å; L66-F166 VanDerWaalsContact CD2-CD2 3.43Å; L66-F166 HydrophobicContact CD2-CE2 3.73Å; L66-F166 HydrophobicContact CD2-CG 4.26Å; L66-Y200 HydrophobicContact CD2-CE1 4.27Å; L66-P205 HydrophobicContact CD1-CB 4.08Å; L66-P205 HydrophobicContact CD2-CB 4.36Å
67	G	84.6	Confident	84.2	Confident	27 Å²	27	37.4 Å²	37.4	28%	0.278	22%	0.22	S	C	.	.			trans	-63.8	169.3	165.1	0	0	0	0	0	112.4	I69 G70 K71	G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 2.83Å; G67-G70 PolarHBondContact O-N 3.47Å; G67-K71 WeakPolarHBondContact O-CG 3.21Å; G67-K71 PolarHBondContact O-N 3.48Å
68	Q	85	Confident	84.2	Confident	158 Å²	158	38.5 Å²	38.5	74%	0.738	23%	0.227	S	C	*	.	H	α-helix	trans	-59.2	-42.6	-176.4	-174.9	176.4	-4.4	0	0	112.7	K71 I72	Q68-K71 PolarHBondContact O-N 3.25Å; Q68-I72 HydrophobicContact CG-CD1 4.36Å; Q68-I72 WeakPolarHBondContact O-CG1 3.28Å; Q68-I72 PolarHBondContact O-N 3.5Å
69	I	86.6	Confident	84.2	Confident	49 Å²	49	37.3 Å²	37.3	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-68.2	-43.1	179.3	-65.1	165.1	0	0	0	110.4	G67 K71 I72 I73 D196 E197	G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 2.83Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å; I69-I72 WeakPolarHBondContact O-CB 3.25Å; I69-I72 PolarHBondContact O-N 2.77Å; I69-I72 VanDerWaalsContact O-N 3.08Å; I69-I73 HydrophobicContact CG2-CD1 3.74Å; I69-I73 HydrophobicContact CG2-CG1 4.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.18Å; I69-I73 PolarHBondContact O-N 3.14Å; I69-D196 HydrophobicContact CB-CB 3.82Å; I69-D196 WeakPolarHBondContact CB-OD2 3.42Å; I69-D196 HydrophobicContact CD1-CB 3.74Å; I69-D196 HydrophobicContact CG1-CB 4.38Å; I69-D196 HydrophobicContact CG2-CB 3.65Å; I69-E197 HydrophobicContact CG2-CG 4.31Å
70	G	88.2	Confident	84.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-42	175.8	0	0	0	0	0	113.1	G67 I73 L74	G67-G70 PolarHBondContact O-N 3.47Å; G70-I73 PolarHBondContact O-N 2.93Å; G70-L74 WeakPolarHBondContact O-CB 3.35Å; G70-L74 PolarHBondContact O-N 3.38Å
71	K	88	Confident	84.4	Confident	47 Å²	47	42.4 Å²	42.4	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-41.9	174.8	-69.5	171.5	174.3	174.3	0	112.7	P42 E43 L66 G67 Q68 I69 D75	P42-K71 WeakPolarHBondContact O-CE 3.17Å; P42-K71 PolarHBondContact O-NZ 3.32Å; E43-K71 PolarHBondContact O-NZ 2.89Å; L66-K71 HydrophobicContact CB-CG 3.8Å; L66-K71 WeakPolarHBondContact O-CE 3.04Å; G67-K71 WeakPolarHBondContact O-CG 3.21Å; G67-K71 PolarHBondContact O-N 3.48Å; Q68-K71 PolarHBondContact O-N 3.25Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å; K71-D75 PolarHBondContact O-N 3.03Å
72	I	88.1	Confident	84.6	Confident	66 Å²	66	42.1 Å²	42.1	34%	0.338	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-45.7	177.2	-68.4	165.6	0	0	0	110.4	Q68 I69 D75 N76	Q68-I72 HydrophobicContact CG-CD1 4.36Å; Q68-I72 WeakPolarHBondContact O-CG1 3.28Å; Q68-I72 PolarHBondContact O-N 3.5Å; I69-I72 WeakPolarHBondContact O-CB 3.25Å; I69-I72 PolarHBondContact O-N 2.77Å; I69-I72 VanDerWaalsContact O-N 3.08Å; I72-D75 PolarHBondContact O-N 3.41Å; I72-N76 PolarHBondContact O-N 2.84Å; I72-N76 PolarHBondContact O-ND2 3.5Å
73	I	86.9	Confident	84.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-44.8	179.6	-67.8	174.4	0	0	0	110.3	I69 G70 D75 N76 I77 Y200 P205 M426	I69-I73 HydrophobicContact CG2-CD1 3.74Å; I69-I73 HydrophobicContact CG2-CG1 4.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.18Å; I69-I73 PolarHBondContact O-N 3.14Å; G70-I73 PolarHBondContact O-N 2.93Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-D75 PolarHBondContact O-N 3.11Å; I73-N76 PolarHBondContact O-N 3.47Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.24Å; I73-I77 PolarHBondContact O-N 3.45Å; I73-Y200 HydrophobicContact CD1-CD2 3.83Å; I73-Y200 HydrophobicContact CD1-CG 4.12Å; I73-P205 HydrophobicContact CG2-CG 4.02Å; I73-M426 HydrophobicContact CG1-CB 4.32Å
74	L	88.1	Confident	84.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-43.9	176	-175.4	60.7	0	0	0	112	I40 G45 I47 L66 G70 N76 I77 I78 P205 D206	I40-L74 HydrophobicContact CD1-CB 4.28Å; I40-L74 HydrophobicContact CD1-CD2 4.29Å; I40-L74 HydrophobicContact CD1-CG 3.85Å; I40-L74 HydrophobicContact CG2-CD2 4.45Å; G45-L74 WeakPolarHBondContact O-CD2 3.48Å; I47-L74 HydrophobicContact CG1-CD2 4.41Å; L66-L74 HydrophobicContact CD1-CB 4.43Å; L66-L74 HydrophobicContact CD1-CD2 3.74Å; G70-L74 WeakPolarHBondContact O-CB 3.35Å; G70-L74 PolarHBondContact O-N 3.38Å; L74-N76 PolarHBondContact O-N 3.42Å; L74-I77 PolarHBondContact O-N 2.89Å; L74-I78 HydrophobicContact CD1-CD1 3.69Å; L74-I78 HydrophobicContact CD1-CG1 4.1Å; L74-I78 HydrophobicContact CG-CD1 3.84Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CB 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 3.34Å; L74-P205 HydrophobicContact CB-CB 4.3Å; L74-P205 HydrophobicContact CB-CG 4.06Å; L74-P205 HydrophobicContact CD1-CB 4.45Å; L74-P205 HydrophobicContact CD1-CG 4.32Å; L74-D206 HydrophobicContact CD1-CB 3.63Å
75	D	87.4	Confident	85.1	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-45.6	173.9	-174	75	0	0	0	112.1	F38 I40 K71 I72 I73 I77 I78 S79 K81	F38-D75 WeakPolarHBondContact CB-OD1 3.4Å; F38-D75 WeakPolarHBondContact CD2-OD1 3.42Å; I40-D75 HydrophobicContact CD1-CB 3.81Å; I40-D75 VanDerWaalsContact CD1-N 3.33Å; K71-D75 PolarHBondContact O-N 3.03Å; I72-D75 PolarHBondContact O-N 3.41Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-D75 PolarHBondContact O-N 3.11Å; D75-I77 VanDerWaalsContact C-N 3.33Å; D75-I77 PolarHBondContact O-N 3.34Å; D75-I78 PolarHBondContact O-N 2.58Å; D75-S79 WeakPolarHBondContact O-CB 3.16Å; D75-S79 PolarHBondContact O-N 3.03Å; D75-S79 PolarHBondContact O-OG 2.83Å; D75-K81 IonicContact OD2-NZ 3.57Å; D75-K81 PolarHBondContact OD2-NZ 3.37Å; D75-K81 VanDerWaalsContact OD2-NZ 3.14Å
76	N	85.8	Confident	85.6	Confident	19 Å²	19	53 Å²	53	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-34.6	-179.1	-73.8	-23.6	0	0	0	112.5	I72 I73 L74 S79 G80 K81 F82 M426	I72-N76 PolarHBondContact O-N 2.84Å; I72-N76 PolarHBondContact O-ND2 3.5Å; I73-N76 PolarHBondContact O-N 3.47Å; L74-N76 PolarHBondContact O-N 3.42Å; N76-S79 PolarHBondContact O-OG 3.5Å; N76-G80 PolarHBondContact O-N 3.37Å; N76-K81 HydrophobicContact CB-CB 4.47Å; N76-K81 PolarHBondContact O-N 3.07Å; N76-K81 WeakPolarHBondContact OD1-CD 3.37Å; N76-F82 HydrophobicContact CB-CB 3.9Å; N76-F82 PolarHBondContact O-N 2.65Å; N76-M426 PolarHBondContact ND2-O 3.11Å
77	I	84.6	Confident	85.9	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-53.9	173.8	-67.4	165.6	0	0	0	110.2	I73 L74 D75 S79 G80 F82 P205	I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.24Å; I73-I77 PolarHBondContact O-N 3.45Å; L74-I77 PolarHBondContact O-N 2.89Å; D75-I77 VanDerWaalsContact C-N 3.33Å; D75-I77 PolarHBondContact O-N 3.34Å; I77-S79 PolarHBondContact O-N 2.59Å; I77-G80 PolarHBondContact O-N 3.29Å; I77-F82 HydrophobicContact CG1-CD1 4.16Å; I77-P205 HydrophobicContact CD1-CG 4.2Å
78	I	83.8	Confident	86.4	Confident	66 Å²	66	58.8 Å²	58.8	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-39	-174.5	-67.5	178.7	0	0	0	111.5	I40 I47 L74 D75 G80	I40-I78 HydrophobicContact CD1-CD1 3.92Å; I40-I78 HydrophobicContact CG1-CD1 3.98Å; I47-I78 HydrophobicContact CB-CD1 4.41Å; I47-I78 HydrophobicContact CD1-CD1 3.75Å; I47-I78 HydrophobicContact CG1-CD1 3.71Å; I47-I78 HydrophobicContact CG2-CD1 3.96Å; L74-I78 HydrophobicContact CD1-CD1 3.69Å; L74-I78 HydrophobicContact CD1-CG1 4.1Å; L74-I78 HydrophobicContact CG-CD1 3.84Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CB 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 3.34Å; D75-I78 PolarHBondContact O-N 2.58Å; I78-G80 PolarHBondContact O-N 2.91Å
79	S	83.5	Confident	86.8	Confident	36 Å²	36	51.7 Å²	51.7	25%	0.252	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.1	175.6	64.3	0	0	0	0	113.4	D75 N76 I77 K81	D75-S79 WeakPolarHBondContact O-CB 3.16Å; D75-S79 PolarHBondContact O-N 3.03Å; D75-S79 PolarHBondContact O-OG 2.83Å; N76-S79 PolarHBondContact O-OG 3.5Å; I77-S79 PolarHBondContact O-N 2.59Å; S79-K81 PolarHBondContact O-N 2.96Å; S79-K81 WeakPolarHBondContact OG-CD 3.29Å; S79-K81 VanDerWaalsContact OG-CG 3.29Å; S79-K81 WeakPolarHBondContact OG-CG 3.45Å
80	G	81.5	Confident	86.8	Confident	38 Å²	38	51.1 Å²	51.1	39%	0.392	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.2	-176.4	0	0	0	0	0	114.3	N76 I77 I78 F82	N76-G80 PolarHBondContact O-N 3.37Å; I77-G80 PolarHBondContact O-N 3.29Å; I78-G80 PolarHBondContact O-N 2.91Å; G80-F82 PolarHBondContact O-N 3.43Å
81	K	82.2	Confident	86.4	Confident	125 Å²	125	53.2 Å²	53.2	54%	0.543	27%	0.272	S	S	.	.	S	Bend	trans	-62.7	-31.4	172.4	-72.1	172	-165.9	155.2	0	111.4	D75 N76 S79	D75-K81 IonicContact OD2-NZ 3.57Å; D75-K81 PolarHBondContact OD2-NZ 3.37Å; D75-K81 VanDerWaalsContact OD2-NZ 3.14Å; N76-K81 HydrophobicContact CB-CB 4.47Å; N76-K81 PolarHBondContact O-N 3.07Å; N76-K81 WeakPolarHBondContact OD1-CD 3.37Å; S79-K81 PolarHBondContact O-N 2.96Å; S79-K81 WeakPolarHBondContact OG-CD 3.29Å; S79-K81 VanDerWaalsContact OG-CG 3.29Å; S79-K81 WeakPolarHBondContact OG-CG 3.45Å
82	F	82	Confident	85.5	Confident	8 Å²	8	53 Å²	53	4%	0.035	28%	0.275	C	S	.	.			trans	-120.7	131.5	175.6	175.8	-116.1	0	0	0	109.9	N76 I77 G80 R84 E422 E425 M426	N76-F82 HydrophobicContact CB-CB 3.9Å; N76-F82 PolarHBondContact O-N 2.65Å; I77-F82 HydrophobicContact CG1-CD1 4.16Å; G80-F82 PolarHBondContact O-N 3.43Å; F82-R84 HydrophobicContact CD1-CG 4.09Å; F82-R84 HydrophobicContact CE1-CB 4.44Å; F82-R84 HydrophobicContact CE1-CG 3.21Å; F82-R84 HydrophobicContact CZ-CG 3.63Å; F82-E422 HydrophobicContact CE2-CG 3.93Å; F82-E422 HydrophobicContact CZ-CG 3.72Å; F82-E422 WeakPolarHBondContact CZ-OE1 3.39Å; F82-E425 HydrophobicContact CD2-CB 3.91Å; F82-E425 HydrophobicContact CE2-CB 4.05Å; F82-M426 HydrophobicContact CD1-CG 3.77Å; F82-M426 HydrophobicContact CD2-CG 4.2Å; F82-M426 HydrophobicContact CE1-CG 3.21Å; F82-M426 HydrophobicContact CE1-SD 3.79Å; F82-M426 HydrophobicContact CE2-CG 3.73Å; F82-M426 HydrophobicContact CG-CG 4.22Å; F82-M426 HydrophobicContact CZ-CG 3.2Å; F82-M426 HydrophobicContact CZ-SD 3.87Å
83	K	80.9	Confident	84.6	Confident	173 Å²	173	57.7 Å²	57.7	75%	0.752	30%	0.296	S	S	*	.			trans	-126.2	116	175.5	-73.6	-173.8	179.8	-176.1	0	109.1	K85	K83-K85 PolarHBondContact O-N 3.05Å
84	R	83.2	Confident	83.3	Confident	37 Å²	37	58.6 Å²	58.6	14%	0.14	30%	0.301	C	S	.	.			trans	-66.8	129.9	179.4	-70.2	177.3	171	166.9	-5.1	110.6	F82 V86 Y200	F82-R84 HydrophobicContact CD1-CG 4.09Å; F82-R84 HydrophobicContact CE1-CB 4.44Å; F82-R84 HydrophobicContact CE1-CG 3.21Å; F82-R84 HydrophobicContact CZ-CG 3.63Å; R84-V86 HydrophobicContact CB-CG1 4.28Å; R84-V86 PolarHBondContact O-N 3.44Å; R84-Y200 PolarHBondContact NH2-O 2.98Å
85	K	88.4	Confident	82.3	Confident	170 Å²	170	60.2 Å²	60.2	74%	0.739	31%	0.313	S	S	*	.			trans	-79.9	94.4	167	-174.4	-175.8	176.4	-168.6	0	108	K83 R201	K83-K85 PolarHBondContact O-N 3.05Å; K85-R201 PolarHBondContact O-NH2 3.03Å
86	V	92.7	Very high	81.1	Confident	45 Å²	45	62.7 Å²	62.7	27%	0.273	33%	0.33	S	S	.	.			trans	-142.4	143	-179	68.4	0	0	0	0	109.9	R84 Q220 W227 D229	R84-V86 HydrophobicContact CB-CG1 4.28Å; R84-V86 PolarHBondContact O-N 3.44Å; V86-Q220 HydrophobicContact CG2-CG 4.27Å; V86-W227 HydrophobicContact CB-CB 4.37Å; V86-W227 HydrophobicContact CG2-CB 4.09Å; V86-D229 HydrophobicContact CG2-CB 3.72Å
87	E	93.1	Very high	80.2	Confident	98 Å²	98	66.7 Å²	66.7	46%	0.458	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147	174.4	-65.6	179.1	-175.3	0	0	110.2	F89 K226 W227 V228 D229	E87-F89 PolarHBondContact O-N 2.94Å; E87-K226 VanDerWaalsContact OE2-CD 3.31Å; E87-K226 WeakPolarHBondContact OE2-CD 3.49Å; E87-K226 IonicContact OE2-NZ 3.26Å; E87-K226 PolarHBondContact OE2-NZ 2.94Å; E87-W227 PolarHBondContact N-O 2.88Å; E87-V228 CarbonylContact O-C 3.58Å; E87-V228 WeakPolarHBondContact O-CA 3.42Å; E87-D229 PolarHBondContact O-N 3.44Å
88	P	94	Very high	79.3	Confident	58 Å²	58	65.7 Å²	65.7	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	133.8	168.4	-25	34.9	0	0	0	110.7	V90 A112	P88-V90 PolarHBondContact O-N 3.34Å; P88-A112 HydrophobicContact CB-CB 3.94Å
89	F	93.1	Very high	78.4	Confident	9 Å²	9	71.1 Å²	71.1	4%	0.039	36%	0.362	C	S	.	.			trans	-64.6	125.5	173.3	172.3	-119.4	0	0	0	109.7	E87 P91 V228 D229 V230 K265 L266	E87-F89 PolarHBondContact O-N 2.94Å; F89-P91 HydrophobicContact CE1-CB 4.47Å; F89-P91 HydrophobicContact CE1-CG 3.78Å; F89-P91 HydrophobicContact CZ-CB 4.18Å; F89-P91 HydrophobicContact CZ-CG 3.98Å; F89-V228 HydrophobicContact CB-CB 4.21Å; F89-V228 HydrophobicContact CB-CG2 4.39Å; F89-V228 HydrophobicContact CD2-CB 4.49Å; F89-V228 HydrophobicContact CD2-CG2 4.14Å; F89-D229 WeakPolarHBondContact CB-O 3.19Å; F89-D229 PolarHBondContact N-O 3.26Å; F89-V230 HydrophobicContact CB-CB 4.39Å; F89-V230 HydrophobicContact CB-CG2 3.73Å; F89-V230 HydrophobicContact CD1-CG1 4.18Å; F89-V230 HydrophobicContact CD1-CG2 4.02Å; F89-V230 HydrophobicContact CD2-CG2 4.42Å; F89-V230 HydrophobicContact CG-CG2 3.8Å; F89-K265 HydrophobicContact CE1-CG 4.23Å; F89-L266 HydrophobicContact CD2-CD1 3.82Å; F89-L266 HydrophobicContact CE2-CD1 3.62Å; F89-L266 HydrophobicContact CZ-CD1 4.12Å
90	V	87.4	Confident	77.3	Confident	36 Å²	36	72.5 Å²	72.5	22%	0.218	37%	0.37	C	S	.	.			trans	-120.4	120.8	167.4	-171.3	0	0	0	0	107.2	P88 P92 P107 L111 A112	P88-V90 PolarHBondContact O-N 3.34Å; V90-P92 WeakPolarHBondContact O-CD 3.17Å; V90-P92 VanDerWaalsContact O-N 3.08Å; V90-P107 HydrophobicContact CB-CB 4.44Å; V90-P107 HydrophobicContact CB-CG 3.91Å; V90-P107 HydrophobicContact CG1-CB 3.37Å; V90-P107 HydrophobicContact CG1-CG 3.35Å; V90-P107 HydrophobicContact CG2-CG 4.47Å; V90-L111 HydrophobicContact CG1-CB 3.81Å; V90-L111 HydrophobicContact CG1-CD1 4.28Å; V90-A112 HydrophobicContact CG2-CB 3.73Å
91	P	79.4	Confident	76	Confident	45 Å²	45	77.1 Å²	77.1	29%	0.292	39%	0.393	S	S	.	.			trans	-51.8	121.4	174.2	-25.4	33.3	0	0	0	108.7	F89	F89-P91 HydrophobicContact CE1-CB 4.47Å; F89-P91 HydrophobicContact CE1-CG 3.78Å; F89-P91 HydrophobicContact CZ-CB 4.18Å; F89-P91 HydrophobicContact CZ-CG 3.98Å
92	P	70.4	Confident	74.3	Confident	42 Å²	42	75 Å²	75	27%	0.273	40%	0.399	S	S	.	.			trans	-59.3	154.6	174.7	23.2	-29.4	0	0	0	108.4	V90 P94 Y493	V90-P92 WeakPolarHBondContact O-CD 3.17Å; V90-P92 VanDerWaalsContact O-N 3.08Å; P92-P94 WeakPolarHBondContact O-CD 3.4Å; P92-Y493 HydrophobicContact CB-CD1 4.22Å; P92-Y493 HydrophobicContact CB-CE1 4.02Å; P92-Y493 HydrophobicContact CG-CD1 3.86Å; P92-Y493 HydrophobicContact CG-CE1 3.91Å
93	E	67.4	Low	72.7	Confident	165 Å²	165	81.5 Å²	81.5	77%	0.771	44%	0.441	S	S	*	.			trans	-91.2	73	157.9	-76.1	-169.5	174.8	0	0	107.9	S95	E93-S95 PolarHBondContact O-N 3.44Å
94	P	60.9	Low	71.2	Confident	18 Å²	18	75.3 Å²	75.3	12%	0.117	43%	0.427	C	S	.	.			trans	-64	124.1	-177.3	30.1	-35.7	0	0	0	107.6	P92 Y493 L497 K500	P92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-Y493 HydrophobicContact CB-CG 4.3Å; P94-L497 HydrophobicContact CB-CD1 3.94Å; P94-L497 HydrophobicContact CB-CD2 3.63Å; P94-L497 HydrophobicContact CB-CG 3.68Å; P94-L497 HydrophobicContact CG-CD2 3.56Å; P94-L497 HydrophobicContact CG-CG 3.85Å; P94-L497 WeakPolarHBondContact O-CD2 3.31Å; P94-K500 PolarHBondContact O-NZ 3.19Å
95	S	66.1	Low	69.6	Low	37 Å²	37	80 Å²	80	26%	0.259	46%	0.463	S	S	.	.			trans	-95.3	133.7	174.5	-167.2	0	0	0	0	107.6	E93 I97	E93-S95 PolarHBondContact O-N 3.44Å; S95-I97 VanDerWaalsContact CB-O 3.27Å; S95-I97 WeakPolarHBondContact CB-O 3.48Å; S95-I97 PolarHBondContact O-N 2.64Å; S95-I97 VanDerWaalsContact O-N 3.08Å; S95-I97 PolarHBondContact OG-O 3.19Å
96	P	62.8	Low	67.8	Low	64 Å²	64	74.7 Å²	74.7	42%	0.416	46%	0.455	S	S	.	.	S	Bend	trans	-56.4	-24.2	171.8	-23.8	33.4	0	0	0	112.6	V502	P96-V502 HydrophobicContact CB-CG2 4.11Å; P96-V502 HydrophobicContact CG-CG2 4.29Å
97	I	66.5	Low	66.1	Low	103 Å²	103	75.7 Å²	75.7	53%	0.528	46%	0.463	S	S	.	.	S	Bend	trans	-103.6	106.8	174.5	-55	172.5	0	0	0	107	S95 R99	S95-I97 VanDerWaalsContact CB-O 3.27Å; S95-I97 WeakPolarHBondContact CB-O 3.48Å; S95-I97 PolarHBondContact O-N 2.64Å; S95-I97 VanDerWaalsContact O-N 3.08Å; S95-I97 PolarHBondContact OG-O 3.19Å; I97-R99 PolarHBondContact O-N 3.43Å
98	P	66	Low	64.5	Low	6 Å²	6	74.3 Å²	74.3	4%	0.039	46%	0.462	C	S	.	.			trans	-66.7	136.8	-177.3	32.3	-37.3	0	0	0	109.3	I444 M446 E563 E565	P98-I444 HydrophobicContact CB-CD1 3.46Å; P98-I444 VanDerWaalsContact CB-CD1 3.46Å; P98-I444 HydrophobicContact CB-CG1 3.78Å; P98-I444 HydrophobicContact CG-CD1 3.79Å; P98-I444 HydrophobicContact CG-CG1 3.8Å; P98-M446 WeakPolarHBondContact O-CE 2.94Å; P98-E563 HydrophobicContact CG-CB 3.94Å; P98-E565 HydrophobicContact CB-CG 3.67Å
99	R	64.8	Low	63	Low	180 Å²	180	76 Å²	76	68%	0.679	48%	0.476	S	S	*	.			trans	-105.1	143.5	178.9	-62.1	-174.3	-149.4	-175.6	12	108.4	I97	I97-R99 PolarHBondContact O-N 3.43Å
100	P	59.7	Low	61.9	Low	65 Å²	65	82.3 Å²	82.3	42%	0.422	51%	0.51	S	S	.	.			trans	-54.4	147.4	166.8	-14.9	27.5	0	0	0	109	A102 M446	P100-A102 PolarHBondContact O-N 3.48Å; P100-M446 HydrophobicContact CG-CE 3.93Å
101	P	54.3	Low	61.5	Low	136 Å²	136	83.2 Å²	83.2	88%	0.883	51%	0.513	S	S	*	.			trans	-56.2	103.6	172.5	21.2	-29.8	0	0	0	108.5
102	A	47.9	Very low	62	Low	80 Å²	80	82.9 Å²	82.9	66%	0.661	52%	0.515	S	S	*	.			trans	-95.8	142.4	173.6	0	0	0	0	0	107.5	P100 G104	P100-A102 PolarHBondContact O-N 3.48Å; A102-G104 PolarHBondContact O-N 2.91Å
103	P	46.8	Very low	63.1	Low	144 Å²	144	81.6 Å²	81.6	94%	0.935	51%	0.505	S	S	*	.			trans	-70.1	69.4	165.1	29.4	-31.7	0	0	0	108.9
104	G	49.7	Very low	64.4	Low	44 Å²	44	77.3 Å²	77.3	45%	0.454	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-89.5	165.1	166.4	0	0	0	0	0	109.8	A102 G106	A102-G104 PolarHBondContact O-N 2.91Å; G104-G106 PolarHBondContact O-N 3.17Å; G104-G106 VanDerWaalsContact O-N 3.11Å
105	P	49.9	Very low	66	Low	136 Å²	136	76.6 Å²	76.6	88%	0.883	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-53.3	125.2	163.6	24	-29.7	0	0	0	107.1
106	G	51.3	Low	67.3	Low	57 Å²	57	78.9 Å²	78.9	59%	0.588	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-54.7	170.8	171	0	0	0	0	0	110.4	G104	G104-G106 PolarHBondContact O-N 3.17Å; G104-G106 VanDerWaalsContact O-N 3.11Å
107	P	56.6	Low	68.9	Low	67 Å²	67	82.7 Å²	82.7	44%	0.435	50%	0.496	S	S	.	.	S	Bend	trans	-52.1	147.3	176.6	26.6	-35.7	0	0	0	110.1	V90 S109	V90-P107 HydrophobicContact CB-CB 4.44Å; V90-P107 HydrophobicContact CB-CG 3.91Å; V90-P107 HydrophobicContact CG1-CB 3.37Å; V90-P107 HydrophobicContact CG1-CG 3.35Å; V90-P107 HydrophobicContact CG2-CG 4.47Å; P107-S109 PolarHBondContact O-N 3.48Å
108	P	59.2	Low	70.3	Confident	68 Å²	68	79.5 Å²	79.5	44%	0.442	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-46.5	129.2	-171.7	-26	29	0	0	0	111.7	D110 L111	P108-D110 PolarHBondContact O-N 2.98Å; P108-L111 HydrophobicContact CB-CD1 4.41Å; P108-L111 HydrophobicContact CB-CG 4.31Å; P108-L111 HydrophobicContact CG-CD1 4.17Å; P108-L111 WeakPolarHBondContact O-CB 3.17Å; P108-L111 PolarHBondContact O-N 3.3Å
109	S	62.7	Low	71.7	Confident	94 Å²	94	80.7 Å²	80.7	66%	0.657	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-54.7	-25.8	179.4	53.6	0	0	0	0	112.7	P107 L111 A112	P107-S109 PolarHBondContact O-N 3.48Å; S109-L111 PolarHBondContact O-N 3.48Å; S109-A112 WeakPolarHBondContact O-CB 3.29Å; S109-A112 PolarHBondContact O-N 2.84Å
110	D	70.9	Confident	73.1	Confident	142 Å²	142	75 Å²	75	76%	0.759	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-71.1	-17.3	-177.8	-53.1	-15.7	0	0	0	112.4	P108	P108-D110 PolarHBondContact O-N 2.98Å
111	L	79	Confident	74.8	Confident	54 Å²	54	75.2 Å²	75.2	28%	0.283	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-83	-21.4	173.4	-65.4	176.5	0	0	0	112.7	V90 P108 S109 Q113 N133	V90-L111 HydrophobicContact CG1-CB 3.81Å; V90-L111 HydrophobicContact CG1-CD1 4.28Å; P108-L111 HydrophobicContact CB-CD1 4.41Å; P108-L111 HydrophobicContact CB-CG 4.31Å; P108-L111 HydrophobicContact CG-CD1 4.17Å; P108-L111 WeakPolarHBondContact O-CB 3.17Å; P108-L111 PolarHBondContact O-N 3.3Å; S109-L111 PolarHBondContact O-N 3.48Å; L111-Q113 PolarHBondContact O-N 3.02Å; L111-N133 PolarHBondContact O-ND2 2.87Å
112	A	88.1	Confident	76.8	Confident	39 Å²	39	69.1 Å²	69.1	32%	0.322	42%	0.422	S	S	.	.			trans	-74.7	104.8	177.7	0	0	0	0	0	109.9	P88 V90 S109	P88-A112 HydrophobicContact CB-CB 3.94Å; V90-A112 HydrophobicContact CG2-CB 3.73Å; S109-A112 WeakPolarHBondContact O-CB 3.29Å; S109-A112 PolarHBondContact O-N 2.84Å
113	Q	93.8	Very high	79	Confident	15 Å²	15	65.9 Å²	65.9	7%	0.07	39%	0.394	C	S	.	.			trans	-91.7	119.4	178.9	-72.2	170.2	-47.7	0	0	110.2	L111 L118 D131 N133 V231	L111-Q113 PolarHBondContact O-N 3.02Å; Q113-L118 HydrophobicContact CB-CD1 3.61Å; Q113-L118 HydrophobicContact CG-CD1 3.83Å; Q113-D131 PolarHBondContact NE2-OD1 3.32Å; Q113-N133 VanDerWaalsContact CD-ND2 3.27Å; Q113-N133 PolarHBondContact OE1-ND2 2.82Å; Q113-V231 HydrophobicContact CB-CB 4Å; Q113-V231 HydrophobicContact CB-CG2 3.99Å; Q113-V231 WeakPolarHBondContact O-CG2 3.36Å
114	D	94.6	Very high	81.2	Confident	74 Å²	74	67.2 Å²	67.2	40%	0.396	38%	0.38	S	S	.	.			trans	-93.6	115.7	172.1	-179.6	-64.7	0	0	0	109	Y116 K117 L118	D114-Y116 PolarHBondContact O-N 2.75Å; D114-Y116 PolarHBondContact OD1-N 2.91Å; D114-Y116 VanDerWaalsContact OD1-N 3.11Å; D114-K117 HydrophobicContact CB-CB 4.02Å; D114-K117 PolarHBondContact O-N 2.81Å; D114-K117 WeakPolarHBondContact OD1-CB 3.39Å; D114-K117 PolarHBondContact OD1-N 2.84Å; D114-L118 WeakPolarHBondContact O-CB 3.23Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.43Å; D114-L118 PolarHBondContact O-N 3.17Å
115	F	95.6	Very high	83.4	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-54.3	-52.7	-176.5	171.4	-112.7	0	0	0	112.3	K117 L118 R119 Q207 I216 H218 V231	F115-K117 PolarHBondContact O-N 2.99Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-R119 VanDerWaalsContact O-CB 3.23Å; F115-R119 WeakPolarHBondContact O-CB 3.26Å; F115-R119 PolarHBondContact O-N 2.92Å; F115-Q207 HydrophobicContact CZ-CB 4.04Å; F115-I216 HydrophobicContact CD2-CD1 4.14Å; F115-I216 HydrophobicContact CD2-CG1 3.95Å; F115-I216 HydrophobicContact CE2-CG1 4.08Å; F115-I216 HydrophobicContact CE2-CG2 4.06Å; F115-H218 HydrophobicContact CB-CB 4.05Å; F115-H218 AromaticContact CD1-CD2 3.75Å; F115-H218 AromaticContact CD1-CE1 3.63Å; F115-H218 AromaticContact CD1-CG 3.84Å; F115-H218 AromaticContact CD1-ND1 3.77Å; F115-H218 AromaticContact CD1-NE2 3.62Å; F115-H218 HydrophobicContact CD2-CB 3.79Å; F115-H218 AromaticContact CD2-CG 3.83Å; F115-H218 AromaticContact CE1-CD2 3.73Å; F115-H218 AromaticContact CE1-NE2 3.61Å; F115-H218 HydrophobicContact CE2-CB 4.41Å; F115-H218 HydrophobicContact CG-CB 3.91Å; F115-H218 AromaticContact CG-CD2 3.88Å; F115-H218 AromaticContact CG-CG 3.59Å; F115-H218 AromaticContact CG-ND1 3.74Å; F115-H218 AromaticContact CZ-CD2 3.87Å; F115-V231 HydrophobicContact CB-CG2 3.92Å
116	Y	93.5	Very high	85.5	Confident	84 Å²	84	70.2 Å²	70.2	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-46	-174.2	-59.1	-69.8	0	0	0	111.4	D114 D120 D206	D114-Y116 PolarHBondContact O-N 2.75Å; D114-Y116 PolarHBondContact OD1-N 2.91Å; D114-Y116 VanDerWaalsContact OD1-N 3.11Å; Y116-D120 WeakPolarHBondContact O-CB 3.22Å; Y116-D120 PolarHBondContact O-N 3.41Å; Y116-D206 WeakPolarHBondContact CE1-OD2 3.42Å; Y116-D206 VanDerWaalsContact CZ-OD2 3.31Å; Y116-D206 PolarHBondContact OH-OD2 2.86Å
117	K	95.1	Very high	87.7	Confident	145 Å²	145	71.4 Å²	71.4	63%	0.63	36%	0.363	S	S	*	.	H	α-helix	trans	-62.9	-44.6	179.3	-176.1	-176.4	173.9	-171	0	111.9	D114 F115 Q121	D114-K117 HydrophobicContact CB-CB 4.02Å; D114-K117 PolarHBondContact O-N 2.81Å; D114-K117 WeakPolarHBondContact OD1-CB 3.39Å; D114-K117 PolarHBondContact OD1-N 2.84Å; F115-K117 PolarHBondContact O-N 2.99Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 PolarHBondContact O-N 2.76Å
118	L	96.4	Very high	89.6	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-68.4	-45.3	-179.9	-72.7	170.2	0	0	0	111.5	Q113 D114 F115 D120 Q121 C122 F129 I216 V231	Q113-L118 HydrophobicContact CB-CD1 3.61Å; Q113-L118 HydrophobicContact CG-CD1 3.83Å; D114-L118 WeakPolarHBondContact O-CB 3.23Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.43Å; D114-L118 PolarHBondContact O-N 3.17Å; F115-L118 PolarHBondContact O-N 3.34Å; L118-D120 PolarHBondContact O-N 3.24Å; L118-Q121 WeakPolarHBondContact O-CB 3.4Å; L118-Q121 PolarHBondContact O-N 2.81Å; L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 2.96Å; L118-C122 VanDerWaalsContact O-SG 3.38Å; L118-F129 HydrophobicContact CB-CE2 4.46Å; L118-F129 HydrophobicContact CD1-CE2 4.02Å; L118-F129 HydrophobicContact CD1-CZ 4.15Å; L118-F129 HydrophobicContact CD2-CE2 4.29Å; L118-I216 HydrophobicContact CB-CD1 3.6Å; L118-V231 HydrophobicContact CD1-CG1 4.45Å
119	R	95.7	Very high	91.4	Very high	30 Å²	30	67.9 Å²	67.9	11%	0.113	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-51	174.9	-177.7	-163.2	69.7	-163.1	-5	111.3	F115 Q121 C122 L123 N212 A214 I216	F115-R119 VanDerWaalsContact O-CB 3.23Å; F115-R119 WeakPolarHBondContact O-CB 3.26Å; F115-R119 PolarHBondContact O-N 2.92Å; R119-Q121 PolarHBondContact O-N 3.26Å; R119-C122 PolarHBondContact O-N 3.48Å; R119-L123 HydrophobicContact CG-CD1 4.17Å; R119-L123 WeakPolarHBondContact O-CG 3.45Å; R119-L123 PolarHBondContact O-N 3.16Å; R119-N212 WeakPolarHBondContact CD-O 3.44Å; R119-N212 WeakPolarHBondContact CG-O 3.28Å; R119-A214 HydrophobicContact CG-CB 4.24Å; R119-I216 HydrophobicContact CB-CG2 3.73Å; R119-I216 HydrophobicContact CG-CG2 3.83Å
120	D	94.4	Very high	93.1	Very high	62 Å²	62	68.9 Å²	68.9	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-30.9	-178.8	-65.9	-3.9	0	0	0	111.6	Y116 L118 R124	Y116-D120 WeakPolarHBondContact O-CB 3.22Å; Y116-D120 PolarHBondContact O-N 3.41Å; L118-D120 PolarHBondContact O-N 3.24Å; D120-R124 VanDerWaalsContact O-CG 3.3Å; D120-R124 WeakPolarHBondContact O-CG 3.29Å; D120-R124 PolarHBondContact O-N 2.64Å; D120-R124 VanDerWaalsContact O-N 3.14Å; D120-R124 PolarHBondContact O-NH1 2.88Å; D120-R124 VanDerWaalsContact O-NH1 3.15Å
121	Q	95.5	Very high	94.3	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-51.4	171.4	-178.6	-179.2	-12.4	0	0	111.6	K117 L118 R119 L123 R124 E125	K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 PolarHBondContact O-N 2.76Å; L118-Q121 WeakPolarHBondContact O-CB 3.4Å; L118-Q121 PolarHBondContact O-N 2.81Å; R119-Q121 PolarHBondContact O-N 3.26Å; Q121-L123 VanDerWaalsContact C-N 3.29Å; Q121-L123 PolarHBondContact O-N 3.18Å; Q121-R124 PolarHBondContact O-N 3.49Å; Q121-R124 VanDerWaalsContact O-N 3.11Å; Q121-E125 HydrophobicContact CG-CG 4.48Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.47Å; Q121-E125 PolarHBondContact NE2-OE1 2.87Å; Q121-E125 WeakPolarHBondContact O-CB 3.04Å; Q121-E125 PolarHBondContact O-N 2.85Å
122	C	96.2	Very high	95.1	Very high	8 Å²	8	64.2 Å²	64.2	5%	0.054	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-40.6	178.1	-72.8	0	0	0	0	112.3	L118 R119 E125 E126 I127 A214	L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 2.96Å; L118-C122 VanDerWaalsContact O-SG 3.38Å; R119-C122 PolarHBondContact O-N 3.48Å; C122-E125 PolarHBondContact O-N 3.09Å; C122-E126 PolarHBondContact O-N 3.03Å; C122-I127 HydrophobicContact CB-CG1 4.44Å; C122-I127 VanDerWaalsContact CB-O 3.27Å; C122-I127 WeakPolarHBondContact CB-O 3.32Å; C122-I127 PolarHBondContact O-N 2.86Å; C122-I127 VanDerWaalsContact O-N 3.09Å; C122-A214 HydrophobicContact CB-CB 3.71Å
123	L	93.2	Very high	95.3	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-41.6	174.4	-71.7	171.2	0	0	0	112.7	I51 F57 R119 Q121 N212 Y213 A214	I51-L123 HydrophobicContact CD1-CB 4.49Å; I51-L123 HydrophobicContact CD1-CD1 4.34Å; I51-L123 HydrophobicContact CG2-CD2 4.18Å; F57-L123 HydrophobicContact CE2-CD2 4.34Å; R119-L123 HydrophobicContact CG-CD1 4.17Å; R119-L123 WeakPolarHBondContact O-CG 3.45Å; R119-L123 PolarHBondContact O-N 3.16Å; Q121-L123 VanDerWaalsContact C-N 3.29Å; Q121-L123 PolarHBondContact O-N 3.18Å; L123-N212 HydrophobicContact CD1-CB 3.96Å; L123-Y213 WeakPolarHBondContact CD2-O 3.43Å; L123-A214 HydrophobicContact CD2-CB 4.11Å; L123-A214 HydrophobicContact CG-CB 4.05Å
124	R	94.1	Very high	95.4	Very high	172 Å²	172	64 Å²	64	65%	0.649	30%	0.304	S	S	*	.	H	α-helix	trans	-68.8	-34.2	177.5	-76.1	-171.2	-49.9	-89	0.4	113	D120 Q121	D120-R124 VanDerWaalsContact O-CG 3.3Å; D120-R124 WeakPolarHBondContact O-CG 3.29Å; D120-R124 PolarHBondContact O-N 2.64Å; D120-R124 VanDerWaalsContact O-N 3.14Å; D120-R124 PolarHBondContact O-NH1 2.88Å; D120-R124 VanDerWaalsContact O-NH1 3.15Å; Q121-R124 PolarHBondContact O-N 3.49Å; Q121-R124 VanDerWaalsContact O-N 3.11Å
125	E	95.9	Very high	95.5	Very high	101 Å²	101	62.3 Å²	62.3	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-88.6	-4.9	-178.6	-70.1	177	-157.9	0	0	112.7	Q121 C122 I127	Q121-E125 HydrophobicContact CG-CG 4.48Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.47Å; Q121-E125 PolarHBondContact NE2-OE1 2.87Å; Q121-E125 WeakPolarHBondContact O-CB 3.04Å; Q121-E125 PolarHBondContact O-N 2.85Å; C122-E125 PolarHBondContact O-N 3.09Å; E125-I127 HydrophobicContact CB-CD1 4.15Å; E125-I127 HydrophobicContact CB-CG1 3.91Å; E125-I127 PolarHBondContact O-N 2.83Å; E125-I127 WeakPolarHBondContact OE2-CD1 3.35Å
126	E	93.8	Very high	95.5	Very high	143 Å²	143	63.1 Å²	63.1	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.3	-174.6	-60.4	-178.3	179.5	0	0	112.2	I56 F57 C122	I56-E126 HydrophobicContact CG2-CB 4.38Å; I56-E126 HydrophobicContact CG2-CG 4.1Å; F57-E126 VanDerWaalsContact CE1-C 3.42Å; F57-E126 WeakPolarHBondContact CE1-O 3.3Å; C122-E126 PolarHBondContact O-N 3.03Å
127	I	96.3	Very high	95.6	Very high	82 Å²	82	62.6 Å²	62.6	42%	0.421	31%	0.308	S	S	.	.			trans	-119.5	146.9	174.4	63.4	176.3	0	0	0	110.6	F57 C122 E125	F57-I127 VanDerWaalsContact CE1-C 3.5Å; F57-I127 WeakPolarHBondContact CZ-O 3.29Å; C122-I127 HydrophobicContact CB-CG1 4.44Å; C122-I127 VanDerWaalsContact CB-O 3.27Å; C122-I127 WeakPolarHBondContact CB-O 3.32Å; C122-I127 PolarHBondContact O-N 2.86Å; C122-I127 VanDerWaalsContact O-N 3.09Å; E125-I127 HydrophobicContact CB-CD1 4.15Å; E125-I127 HydrophobicContact CB-CG1 3.91Å; E125-I127 PolarHBondContact O-N 2.83Å; E125-I127 WeakPolarHBondContact OE2-CD1 3.35Å
128	L	97.1	Very high	95.5	Very high	47 Å²	47	59.2 Å²	59.2	25%	0.246	30%	0.296	C	S	.	.			trans	-80	137	169.9	-66.5	171.8	0	0	0	109.4	F57 Y213	F57-L128 HydrophobicContact CB-CD2 4.04Å; F57-L128 HydrophobicContact CD1-CD2 3.7Å; F57-L128 HydrophobicContact CD1-CG 3.77Å; F57-L128 HydrophobicContact CD2-CD2 3.62Å; F57-L128 HydrophobicContact CE1-CD2 4.01Å; F57-L128 HydrophobicContact CE1-CG 4.03Å; F57-L128 HydrophobicContact CE2-CD2 3.98Å; F57-L128 HydrophobicContact CG-CD2 3.5Å; F57-L128 VanDerWaalsContact CG-CD2 3.5Å; F57-L128 HydrophobicContact CG-CG 4.07Å; F57-L128 HydrophobicContact CZ-CD2 4.16Å; L128-Y213 HydrophobicContact CD2-CD1 4.46Å; L128-Y213 HydrophobicContact CD2-CE1 3.56Å
129	F	97.9	Very high	95.4	Very high	14 Å²	14	60.8 Å²	60.8	6%	0.061	31%	0.311	C	S	.	.			trans	-60.5	139.4	176.2	-176.2	-114.7	0	0	0	110.8	L118 D131 R155 A214 I216 V231 D233	L118-F129 HydrophobicContact CB-CE2 4.46Å; L118-F129 HydrophobicContact CD1-CE2 4.02Å; L118-F129 HydrophobicContact CD1-CZ 4.15Å; L118-F129 HydrophobicContact CD2-CE2 4.29Å; F129-D131 HydrophobicContact CE1-CB 3.82Å; F129-D131 HydrophobicContact CZ-CB 4.22Å; F129-R155 PolarHBondContact O-NH1 3.47Å; F129-R155 VanDerWaalsContact O-NH1 3.16Å; F129-R155 PolarHBondContact O-NH2 3.2Å; F129-A214 WeakPolarHBondContact CB-O 3.11Å; F129-A214 PolarHBondContact N-O 3.18Å; F129-I216 HydrophobicContact CB-CB 3.71Å; F129-I216 HydrophobicContact CB-CD1 4.42Å; F129-I216 HydrophobicContact CB-CG1 4.33Å; F129-I216 HydrophobicContact CD1-CB 3.78Å; F129-I216 HydrophobicContact CD1-CD1 3.84Å; F129-I216 HydrophobicContact CD1-CG1 3.57Å; F129-I216 HydrophobicContact CD2-CD1 4.15Å; F129-I216 HydrophobicContact CE1-CD1 4.08Å; F129-I216 HydrophobicContact CE1-CG1 4Å; F129-I216 HydrophobicContact CE2-CD1 4.38Å; F129-I216 HydrophobicContact CG-CB 3.92Å; F129-I216 HydrophobicContact CG-CD1 3.88Å; F129-I216 HydrophobicContact CG-CG1 3.98Å; F129-I216 HydrophobicContact CZ-CD1 4.34Å; F129-V231 HydrophobicContact CE1-CG1 3.97Å; F129-V231 HydrophobicContact CZ-CG1 4.23Å; F129-D233 HydrophobicContact CD1-CB 3.78Å; F129-D233 HydrophobicContact CE1-CB 4.33Å; F129-D233 WeakPolarHBondContact O-CB 3.47Å
130	E	97.8	Very high	95.4	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	31%	0.306	S	S	.	.			trans	-129.7	121.4	171.5	-68.5	-156.3	-178.5	0	0	106.8	P132 R235	E130-P132 WeakPolarHBondContact O-CD 3.46Å; E130-R235 VanDerWaalsContact CB-NH2 3.34Å; E130-R235 IonicContact OE1-NH1 2.65Å; E130-R235 PolarHBondContact OE1-NH1 2.72Å; E130-R235 IonicContact OE2-CZ 3.9Å; E130-R235 IonicContact OE2-NH1 3.14Å; E130-R235 PolarHBondContact OE2-NH1 2.75Å; E130-R235 IonicContact OE2-NH2 2.9Å; E130-R235 PolarHBondContact OE2-NH2 2.93Å
131	D	96.7	Very high	95.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.011	29%	0.291	C	S	.	.			trans	-78.6	109.1	-171.3	-172.5	-3.9	0	0	0	111.1	Q113 F129 N133 F134 P135 D233 K265	Q113-D131 PolarHBondContact NE2-OD1 3.32Å; F129-D131 HydrophobicContact CE1-CB 3.82Å; F129-D131 HydrophobicContact CZ-CB 4.22Å; D131-N133 PolarHBondContact O-N 2.99Å; D131-N133 PolarHBondContact OD1-N 3.27Å; D131-F134 CarbonylContact O-C 3.57Å; D131-F134 PolarHBondContact O-N 2.98Å; D131-P135 WeakPolarHBondContact O-CA 3.13Å; D131-D233 HydrophobicContact CB-CB 4.21Å; D131-D233 PolarHBondContact N-OD2 2.86Å; D131-K265 VanDerWaalsContact CG-NZ 3.33Å; D131-K265 IonicContact OD1-NZ 3.48Å; D131-K265 PolarHBondContact OD1-NZ 2.96Å; D131-K265 IonicContact OD2-NZ 3.49Å; D131-K265 PolarHBondContact OD2-NZ 3Å
132	P	94.2	Very high	95.3	Very high	95 Å²	95	55.4 Å²	55.4	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.7	179.1	30.3	-37.5	0	0	0	112.8	E130	E130-P132 WeakPolarHBondContact O-CD 3.46Å
133	N	92.9	Very high	94.9	Very high	45 Å²	45	59.3 Å²	59.3	24%	0.241	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.3	-175.4	-65.2	-16.7	0	0	0	112.5	L111 Q113 D131	L111-N133 PolarHBondContact O-ND2 2.87Å; Q113-N133 VanDerWaalsContact CD-ND2 3.27Å; Q113-N133 PolarHBondContact OE1-ND2 2.82Å; D131-N133 PolarHBondContact O-N 2.99Å; D131-N133 PolarHBondContact OD1-N 3.27Å
134	F	95.5	Very high	94.7	Very high	5 Å²	5	63.4 Å²	63.4	2%	0.022	32%	0.324	C	S	.	.	S	Bend	trans	-150.8	69.6	177	-160.7	-107.5	0	0	0	109.5	D131 K261 A264 K265 Y270	D131-F134 CarbonylContact O-C 3.57Å; D131-F134 PolarHBondContact O-N 2.98Å; F134-K261 HydrophobicContact CD1-CG 4.42Å; F134-K261 HydrophobicContact CE1-CG 4.13Å; F134-A264 HydrophobicContact CE1-CB 4.42Å; F134-A264 HydrophobicContact CZ-CB 3.88Å; F134-K265 HydrophobicContact CB-CB 4.17Å; F134-K265 HydrophobicContact CB-CD 3.68Å; F134-K265 HydrophobicContact CB-CG 3.84Å; F134-K265 HydrophobicContact CD1-CB 4.02Å; F134-K265 HydrophobicContact CD2-CB 3.75Å; F134-K265 HydrophobicContact CD2-CG 3.94Å; F134-K265 HydrophobicContact CE1-CB 4.3Å; F134-K265 HydrophobicContact CE2-CB 4.06Å; F134-K265 HydrophobicContact CG-CB 3.72Å; F134-K265 HydrophobicContact CG-CD 4.18Å; F134-K265 HydrophobicContact CG-CG 3.9Å; F134-K265 HydrophobicContact CZ-CB 4.31Å; F134-Y270 HydrophobicContact CE1-CD2 4.43Å; F134-Y270 HydrophobicContact CE1-CE2 4.14Å; F134-Y270 HydrophobicContact CZ-CD2 4.3Å; F134-Y270 HydrophobicContact CZ-CE2 4.45Å
135	P	96.6	Very high	94.3	Very high	39 Å²	39	64.9 Å²	64.9	25%	0.253	33%	0.33	S	S	.	.			trans	-64.8	148.9	-169.8	28	-36.1	0	0	0	111.5	D131 D137 S139 S140	D131-P135 WeakPolarHBondContact O-CA 3.13Å; P135-D137 PolarHBondContact O-N 3.41Å; P135-S139 WeakPolarHBondContact CG-OG 3.42Å; P135-S140 VanDerWaalsContact O-CB 3.24Å; P135-S140 WeakPolarHBondContact O-CB 3.1Å; P135-S140 PolarHBondContact O-OG 3.3Å
136	A	97.3	Very high	93.8	Very high	21 Å²	21	65.5 Å²	65.5	17%	0.174	33%	0.333	C	S	.	.	S	Bend	trans	-75.8	61.4	177.3	0	0	0	0	0	111.7	W153 R235	A136-W153 VanDerWaalsContact C-CD1 3.43Å; A136-W153 VanDerWaalsContact C-NE1 3.32Å; A136-W153 HydrophobicContact CB-CB 3.83Å; A136-W153 HydrophobicContact CB-CD2 3.65Å; A136-W153 HydrophobicContact CB-CE3 3.81Å; A136-W153 HydrophobicContact CB-CG 3.7Å; A136-W153 HydrophobicContact CB-CZ3 4.46Å; A136-W153 PolarHBondContact O-NE1 3.47Å; A136-R235 HydrophobicContact CB-CB 3.89Å; A136-R235 HydrophobicContact CB-CG 4.41Å; A136-R235 VanDerWaalsContact CB-CZ 3.5Å; A136-R235 VanDerWaalsContact CB-NE 3.26Å
137	D	95.1	Very high	93.2	Very high	73 Å²	73	60.7 Å²	60.7	39%	0.39	31%	0.314	S	S	.	.	S	Bend	trans	-141.9	-169.7	178.8	70.3	32	0	0	0	111.7	P135 S139 S140 W153	P135-D137 PolarHBondContact O-N 3.41Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 2.78Å; D137-S139 VanDerWaalsContact OD1-CB 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.42Å; D137-S139 PolarHBondContact OD1-N 2.7Å; D137-S139 PolarHBondContact OD1-OG 3.34Å; D137-S140 PolarHBondContact O-N 2.84Å; D137-W153 PolarHBondContact O-NE1 2.81Å
138	N	93.6	Very high	92.6	Very high	73 Å²	73	62.8 Å²	62.8	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-26.4	-176.6	-75.8	-16.4	0	0	0	114.2	S140 L141 F142	N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.47Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.13Å; N138-F142 HydrophobicContact CB-CD1 4.47Å; N138-F142 HydrophobicContact CB-CE1 3.51Å; N138-F142 HydrophobicContact CB-CZ 3.69Å; N138-F142 WeakPolarHBondContact O-CD1 3.2Å; N138-F142 PolarHBondContact O-N 3.39Å
139	S	92.9	Very high	92.2	Very high	70 Å²	70	65.3 Å²	65.3	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-29.8	-178.1	67.4	0	0	0	0	112.7	P135 D137	P135-S139 WeakPolarHBondContact CG-OG 3.42Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 2.78Å; D137-S139 VanDerWaalsContact OD1-CB 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.42Å; D137-S139 PolarHBondContact OD1-N 2.7Å; D137-S139 PolarHBondContact OD1-OG 3.34Å
140	S	96.1	Very high	91.9	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.014	37%	0.371	C	S	.	.	H	α-helix	trans	-82	-16.4	175.4	-63.6	0	0	0	0	113.3	P135 D137 N138 S269 Y270	P135-S140 VanDerWaalsContact O-CB 3.24Å; P135-S140 WeakPolarHBondContact O-CB 3.1Å; P135-S140 PolarHBondContact O-OG 3.3Å; D137-S140 PolarHBondContact O-N 2.84Å; N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.47Å; S140-S269 CarbonylContact O-C 3.53Å; S140-S269 VanDerWaalsContact O-CA 3.28Å; S140-S269 WeakPolarHBondContact O-CA 3.07Å; S140-S269 WeakPolarHBondContact O-CB 3.37Å; S140-Y270 WeakPolarHBondContact O-CD2 3.24Å; S140-Y270 PolarHBondContact O-N 2.77Å
141	L	95.6	Very high	91.8	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-90	-44.8	-177.6	-68	172.2	0	0	0	112.4	N138 I151 W153 P237 Y245 Y270 E271	N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.13Å; L141-I151 HydrophobicContact CD1-CB 4.05Å; L141-I151 HydrophobicContact CD1-CD1 4.14Å; L141-I151 HydrophobicContact CD1-CG2 3.89Å; L141-I151 HydrophobicContact CD2-CD1 4.4Å; L141-I151 HydrophobicContact CD2-CG2 4.4Å; L141-W153 HydrophobicContact CD1-CZ2 4.31Å; L141-W153 HydrophobicContact CD2-CH2 4.3Å; L141-W153 HydrophobicContact CD2-CZ2 3.7Å; L141-W153 HydrophobicContact CG-CZ2 3.72Å; L141-P237 HydrophobicContact CD2-CB 4.2Å; L141-P237 HydrophobicContact CD2-CG 3.86Å; L141-Y245 HydrophobicContact CD2-CE2 3.98Å; L141-Y270 HydrophobicContact CD2-CD2 4.02Å; L141-E271 WeakPolarHBondContact O-CB 3.44Å; L141-E271 PolarHBondContact O-N 3Å
142	F	92.5	Very high	91.8	Very high	41 Å²	41	71.2 Å²	71.2	18%	0.18	36%	0.364	C	S	.	.			trans	-151.7	153	-171.2	63.5	-88.8	0	0	0	113.1	N138 Q146 P147 E271	N138-F142 HydrophobicContact CB-CD1 4.47Å; N138-F142 HydrophobicContact CB-CE1 3.51Å; N138-F142 HydrophobicContact CB-CZ 3.69Å; N138-F142 WeakPolarHBondContact O-CD1 3.2Å; N138-F142 PolarHBondContact O-N 3.39Å; F142-Q146 HydrophobicContact CE1-CB 3.97Å; F142-Q146 HydrophobicContact CE1-CG 3.77Å; F142-Q146 HydrophobicContact CE2-CB 3.9Å; F142-Q146 HydrophobicContact CZ-CB 3.56Å; F142-Q146 HydrophobicContact CZ-CG 3.7Å; F142-P147 HydrophobicContact CD1-CG 4.27Å; F142-E271 WeakPolarHBondContact CA-OE2 3.41Å; F142-E271 HydrophobicContact CB-CB 4.32Å; F142-E271 WeakPolarHBondContact CB-OE2 3.27Å
143	Y	88.2	Confident	92	Very high	90 Å²	90	68.8 Å²	68.8	35%	0.353	34%	0.342	S	S	.	.	S	Bend	trans	-121.9	-12	171.1	57.3	-93.7	0	0	0	112.8	S269 E271 A272 H499	Y143-S269 VanDerWaalsContact CD1-OG 3.29Å; Y143-S269 WeakPolarHBondContact CD1-OG 3.13Å; Y143-E271 HydrophobicContact CD1-CB 4.1Å; Y143-E271 HydrophobicContact CD1-CG 4.16Å; Y143-E271 HydrophobicContact CE1-CB 3.84Å; Y143-E271 HydrophobicContact CE1-CG 3.66Å; Y143-E271 PolarHBondContact N-OE2 3.3Å; Y143-A272 HydrophobicContact CE1-CB 4.17Å; Y143-H499 HydrophobicContact CD1-CB 4.18Å; Y143-H499 HydrophobicContact CD2-CB 3.5Å; Y143-H499 VanDerWaalsContact CD2-CB 3.5Å; Y143-H499 HydrophobicContact CE2-CB 3.92Å; Y143-H499 HydrophobicContact CG-CB 3.66Å
144	T	87.9	Confident	92.2	Very high	97 Å²	97	70.9 Å²	70.9	60%	0.595	35%	0.347	S	S	*	.	S	Bend	trans	-104.1	-64.7	177.2	76.7	0	0	0	0	112.6	E271	T144-E271 PolarHBondContact N-OE2 2.92Å; T144-E271 VanDerWaalsContact OG1-CD 3.3Å; T144-E271 PolarHBondContact OG1-OE1 2.97Å; T144-E271 PolarHBondContact OG1-OE2 2.83Å
145	R	85.5	Confident	92.3	Very high	204 Å²	204	71.9 Å²	71.9	77%	0.77	35%	0.35	S	S	*	.			trans	-139.3	131.8	-171.3	-174.1	179.9	176.6	176.3	0.7	110.4
146	Q	86.4	Confident	92.3	Very high	114 Å²	114	70 Å²	70	53%	0.533	34%	0.338	S	S	.	.			trans	-57	137	173.9	-171.1	175.8	6	0	0	111.2	F142	F142-Q146 HydrophobicContact CE1-CB 3.97Å; F142-Q146 HydrophobicContact CE1-CG 3.77Å; F142-Q146 HydrophobicContact CE2-CB 3.9Å; F142-Q146 HydrophobicContact CZ-CB 3.56Å; F142-Q146 HydrophobicContact CZ-CG 3.7Å
147	P	81.7	Confident	92.1	Very high	42 Å²	42	69.8 Å²	69.8	27%	0.273	34%	0.338	S	S	.	.			trans	-50.9	145.9	170.4	-28.6	35.6	0	0	0	112	F142 R149 I151	F142-P147 HydrophobicContact CD1-CG 4.27Å; P147-R149 PolarHBondContact O-N 3.08Å; P147-I151 HydrophobicContact CB-CD1 3.92Å; P147-I151 HydrophobicContact CB-CG1 4.46Å; P147-I151 HydrophobicContact CG-CD1 3.76Å
148	S	83.4	Confident	92	Very high	126 Å²	126	73.8 Å²	73.8	88%	0.881	35%	0.352	S	S	*	.	S	Bend	trans	-67.7	-26.8	179.3	51.3	0	0	0	0	112.8
149	R	89	Confident	92.1	Very high	99 Å²	99	72.3 Å²	72.3	37%	0.374	34%	0.344	S	S	.	.	S	Bend	trans	-100.2	147.5	178.4	-58.9	-179.1	77.8	177.2	3.6	109.7	P147 I151 E179 I239 D240	P147-R149 PolarHBondContact O-N 3.08Å; R149-I151 PolarHBondContact O-N 3.21Å; R149-E179 IonicContact CZ-OE1 2.68Å; R149-E179 IonicContact NH1-OE1 3.15Å; R149-E179 PolarHBondContact NH1-OE1 2.78Å; R149-I239 HydrophobicContact CB-CD1 4.31Å; R149-I239 HydrophobicContact CB-CG2 4.43Å; R149-I239 VanDerWaalsContact NE-CG2 3.34Å; R149-D240 IonicContact CZ-OD2 3.53Å; R149-D240 IonicContact NH2-OD2 4Å; R149-D240 PolarHBondContact NH2-OD2 3.47Å
150	Y	91.6	Very high	92.1	Very high	173 Å²	173	70.5 Å²	70.5	68%	0.678	33%	0.33	S	S	*	.			trans	-69.1	127.9	170.9	178.1	-112.2	0	0	0	109.2	E152	Y150-E152 HydrophobicContact CD1-CG 3.92Å; Y150-E152 HydrophobicContact CE1-CG 3.28Å
151	I	95.6	Very high	91.8	Very high	15 Å²	15	77.4 Å²	77.4	8%	0.077	37%	0.366	C	S	.	.			trans	-109.5	124.4	179.2	-64	-176.1	0	0	0	107.8	L141 P147 R149 P237 I239	L141-I151 HydrophobicContact CD1-CB 4.05Å; L141-I151 HydrophobicContact CD1-CD1 4.14Å; L141-I151 HydrophobicContact CD1-CG2 3.89Å; L141-I151 HydrophobicContact CD2-CD1 4.4Å; L141-I151 HydrophobicContact CD2-CG2 4.4Å; P147-I151 HydrophobicContact CB-CD1 3.92Å; P147-I151 HydrophobicContact CB-CG1 4.46Å; P147-I151 HydrophobicContact CG-CD1 3.76Å; R149-I151 PolarHBondContact O-N 3.21Å; I151-P237 HydrophobicContact CG2-CB 3.71Å; I151-I239 HydrophobicContact CD1-CD1 4.3Å; I151-I239 HydrophobicContact CG1-CD1 3.95Å; I151-I239 HydrophobicContact CG1-CG1 3.87Å
152	E	96.4	Very high	91.6	Very high	67 Å²	67	81.5 Å²	81.5	31%	0.313	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	148.2	171	-67.3	-179.2	-169.1	0	0	110	Y150 R154 P237 V238	Y150-E152 HydrophobicContact CD1-CG 3.92Å; Y150-E152 HydrophobicContact CE1-CG 3.28Å; E152-R154 HydrophobicContact CB-CG 4.49Å; E152-R154 IonicContact OE2-CZ 3.76Å; E152-R154 IonicContact OE2-NE 3.69Å; E152-R154 PolarHBondContact OE2-NE 3.32Å; E152-R154 IonicContact OE2-NH2 2.86Å; E152-R154 PolarHBondContact OE2-NH2 3.05Å; E152-P237 CarbonylContact O-C 3.59Å; E152-V238 PolarHBondContact N-O 3.49Å; E152-V238 PolarHBondContact O-N 3.43Å
153	W	97.9	Very high	91.7	Very high	44 Å²	44	79.5 Å²	79.5	17%	0.167	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.5	170.6	-70.9	90	0	0	0	109.5	A136 D137 L141 R235 L236 P237 Y270	A136-W153 VanDerWaalsContact C-CD1 3.43Å; A136-W153 VanDerWaalsContact C-NE1 3.32Å; A136-W153 HydrophobicContact CB-CB 3.83Å; A136-W153 HydrophobicContact CB-CD2 3.65Å; A136-W153 HydrophobicContact CB-CE3 3.81Å; A136-W153 HydrophobicContact CB-CG 3.7Å; A136-W153 HydrophobicContact CB-CZ3 4.46Å; A136-W153 PolarHBondContact O-NE1 3.47Å; D137-W153 PolarHBondContact O-NE1 2.81Å; L141-W153 HydrophobicContact CD1-CZ2 4.31Å; L141-W153 HydrophobicContact CD2-CH2 4.3Å; L141-W153 HydrophobicContact CD2-CZ2 3.7Å; L141-W153 HydrophobicContact CG-CZ2 3.72Å; W153-R235 HydrophobicContact CB-CB 4.37Å; W153-R235 HydrophobicContact CE3-CB 4.17Å; W153-R235 VanDerWaalsContact CZ3-O 3.25Å; W153-R235 WeakPolarHBondContact CZ3-O 3.37Å; W153-L236 WeakPolarHBondContact CA-O 3.19Å; W153-P237 HydrophobicContact CE3-CG 4.14Å; W153-P237 HydrophobicContact CH2-CG 3.91Å; W153-P237 HydrophobicContact CZ2-CG 4.3Å; W153-P237 HydrophobicContact CZ3-CG 3.8Å; W153-Y270 HydrophobicContact CH2-CD2 4.4Å; W153-Y270 AromaticContact CH2-CE2 3.82Å; W153-Y270 HydrophobicContact CH2-CE2 3.82Å; W153-Y270 HydrophobicContact CZ3-CE2 4.34Å
154	R	97.4	Very high	91.9	Very high	89 Å²	89	76.1 Å²	76.1	34%	0.336	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145	-178.9	-63.8	-169.6	-179.7	-170.2	2	111.2	E152 I159 L236 V238	E152-R154 HydrophobicContact CB-CG 4.49Å; E152-R154 IonicContact OE2-CZ 3.76Å; E152-R154 IonicContact OE2-NE 3.69Å; E152-R154 PolarHBondContact OE2-NE 3.32Å; E152-R154 IonicContact OE2-NH2 2.86Å; E152-R154 PolarHBondContact OE2-NH2 3.05Å; R154-I159 HydrophobicContact CB-CD1 4.34Å; R154-I159 HydrophobicContact CB-CG1 4.06Å; R154-L236 PolarHBondContact N-O 3.25Å; R154-L236 PolarHBondContact O-N 2.83Å; R154-V238 HydrophobicContact CB-CG2 4.09Å; R154-V238 HydrophobicContact CG-CB 4.47Å; R154-V238 HydrophobicContact CG-CG2 4.43Å
155	R	97.1	Very high	92.2	Very high	26 Å²	26	71.5 Å²	71.5	10%	0.098	34%	0.336	C	S	.	.			trans	-76.7	149.2	169.7	-57.8	-168.3	-176.9	-100.2	4.2	109.8	F129 G157 K158 G215 D234 R235	F129-R155 PolarHBondContact O-NH1 3.47Å; F129-R155 VanDerWaalsContact O-NH1 3.16Å; F129-R155 PolarHBondContact O-NH2 3.2Å; R155-G157 VanDerWaalsContact C-N 3.28Å; R155-G157 PolarHBondContact O-N 3.02Å; R155-K158 WeakPolarHBondContact O-CA 3.43Å; R155-K158 WeakPolarHBondContact O-CB 3.47Å; R155-K158 PolarHBondContact O-N 3.5Å; R155-G215 PolarHBondContact NH1-O 3.35Å; R155-D234 WeakPolarHBondContact CD-OD1 3.45Å; R155-D234 WeakPolarHBondContact CG-OD1 3.49Å; R155-D234 IonicContact CZ-OD1 3.39Å; R155-D234 IonicContact NE-OD1 2.76Å; R155-D234 IonicContact NH1-OD1 3.41Å; R155-D234 PolarHBondContact NH1-OD1 3.18Å; R155-R235 HydrophobicContact CG-CG 3.75Å
156	P	96.2	Very high	92.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-48.3	-42.7	178.8	-36.5	39	0	0	0	114.7	K158 I159 V160 P163 F209 D234 L236 F254	P156-K158 PolarHBondContact O-N 3.11Å; P156-I159 WeakPolarHBondContact O-CA 3.45Å; P156-I159 WeakPolarHBondContact O-CB 3.31Å; P156-I159 PolarHBondContact O-N 3.32Å; P156-V160 PolarHBondContact O-N 3.34Å; P156-P163 HydrophobicContact CB-CB 3.54Å; P156-P163 HydrophobicContact CB-CG 4.21Å; P156-F209 HydrophobicContact CB-CD1 4.5Å; P156-F209 HydrophobicContact CB-CE1 3.71Å; P156-F209 HydrophobicContact CB-CZ 3.96Å; P156-F209 HydrophobicContact CG-CE1 3.61Å; P156-F209 HydrophobicContact CG-CZ 3.7Å; P156-D234 WeakPolarHBondContact CD-O 3.39Å; P156-L236 HydrophobicContact CG-CD1 4.22Å; P156-F254 HydrophobicContact CB-CD1 4.05Å; P156-F254 HydrophobicContact CB-CD2 3.95Å; P156-F254 HydrophobicContact CB-CE1 3.9Å; P156-F254 HydrophobicContact CB-CE2 3.81Å; P156-F254 HydrophobicContact CB-CG 4.08Å; P156-F254 HydrophobicContact CB-CZ 3.78Å; P156-F254 HydrophobicContact CG-CD1 3.81Å; P156-F254 HydrophobicContact CG-CD2 4.37Å; P156-F254 HydrophobicContact CG-CE1 4.02Å; P156-F254 HydrophobicContact CG-CG 4Å; P156-F254 HydrophobicContact CG-CZ 4.41Å
157	G	93.7	Very high	92.5	Very high	17 Å²	17	58.1 Å²	58.1	18%	0.175	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-67.2	-2.3	175.9	0	0	0	0	0	115.9	R155 V160	R155-G157 VanDerWaalsContact C-N 3.28Å; R155-G157 PolarHBondContact O-N 3.02Å; G157-V160 CarbonylContact C-O 3.52Å; G157-V160 WeakPolarHBondContact CA-O 3.09Å
158	K	93.8	Very high	92.6	Very high	156 Å²	156	64.4 Å²	64.4	68%	0.678	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-105.6	-3.1	169.2	-59.7	-57	-177.9	-163.9	0	112.7	R155 P156	R155-K158 WeakPolarHBondContact O-CA 3.43Å; R155-K158 WeakPolarHBondContact O-CB 3.47Å; R155-K158 PolarHBondContact O-N 3.5Å; P156-K158 PolarHBondContact O-N 3.11Å
159	I	94.6	Very high	92.7	Very high	43 Å²	43	58.8 Å²	58.8	22%	0.221	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-43.7	177.3	-53.7	173.1	0	0	0	108.9	R154 P156 V238 L243 F254	R154-I159 HydrophobicContact CB-CD1 4.34Å; R154-I159 HydrophobicContact CB-CG1 4.06Å; P156-I159 WeakPolarHBondContact O-CA 3.45Å; P156-I159 WeakPolarHBondContact O-CB 3.31Å; P156-I159 PolarHBondContact O-N 3.32Å; I159-V238 HydrophobicContact CD1-CG2 3.66Å; I159-V238 HydrophobicContact CG1-CG2 4.23Å; I159-L243 HydrophobicContact CD1-CD2 3.96Å; I159-F254 HydrophobicContact CD1-CE1 4.25Å
160	V	93.6	Very high	92.7	Very high	31 Å²	31	55.2 Å²	55.2	19%	0.188	26%	0.26	C	S	.	.			trans	-138.9	159.5	179.4	-62.8	0	0	0	0	111.6	P156 G157 P163 N251 F254	P156-V160 PolarHBondContact O-N 3.34Å; G157-V160 CarbonylContact C-O 3.52Å; G157-V160 WeakPolarHBondContact CA-O 3.09Å; V160-P163 HydrophobicContact CG2-CB 4.11Å; V160-N251 HydrophobicContact CG1-CB 4.34Å; V160-N251 VanDerWaalsContact CG1-O 3.29Å; V160-N251 WeakPolarHBondContact CG1-O 3.05Å; V160-F254 HydrophobicContact CG2-CE2 3.72Å; V160-F254 HydrophobicContact CG2-CZ 3.82Å
161	D	89.7	Confident	92.6	Very high	147 Å²	147	48.9 Å²	48.9	79%	0.786	24%	0.24	S	C	*	.	S	Bend	trans	-75	-33.7	-176.8	-65.5	-34.4	0	0	0	113.6	G61	G61-D161 PolarHBondContact N-O 3.18Å
162	E	91	Very high	92.1	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	-127.4	69.1	-175.9	-64.8	-177	145.3	0	0	111.3	K62 S252	K62-E162 HydrophobicContact CD-CB 4.38Å; K62-E162 WeakPolarHBondContact CD-OE2 3.41Å; K62-E162 VanDerWaalsContact CE-OE1 3.3Å; K62-E162 WeakPolarHBondContact CE-OE1 3.24Å; K62-E162 WeakPolarHBondContact CE-OE2 3.47Å; K62-E162 HydrophobicContact CG-CB 4.39Å; K62-E162 IonicContact NZ-OE1 3.04Å; K62-E162 IonicContact NZ-OE2 3.74Å; K62-E162 PolarHBondContact NZ-OE2 2.98Å; E162-S252 WeakPolarHBondContact O-CB 3.46Å
163	P	94.4	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.			trans	-63.2	141.4	175.2	29.5	-36.9	0	0	0	110.8	L59 G61 K62 P156 V160 F209 F254	L59-P163 HydrophobicContact CD2-CG 3.89Å; G61-P163 VanDerWaalsContact CA-O 3.29Å; G61-P163 WeakPolarHBondContact CA-O 3.41Å; K62-P163 PolarHBondContact N-O 2.9Å; P156-P163 HydrophobicContact CB-CB 3.54Å; P156-P163 HydrophobicContact CB-CG 4.21Å; V160-P163 HydrophobicContact CG2-CB 4.11Å; P163-F209 HydrophobicContact CB-CD1 4.06Å; P163-F209 HydrophobicContact CB-CD2 4.35Å; P163-F209 HydrophobicContact CB-CE1 4.29Å; P163-F209 HydrophobicContact CB-CG 4.08Å; P163-F209 HydrophobicContact CG-CB 4.4Å; P163-F209 HydrophobicContact CG-CD1 4.1Å; P163-F209 HydrophobicContact CG-CG 4.24Å; P163-F209 WeakPolarHBondContact O-CB 3.29Å; P163-F254 HydrophobicContact CB-CD2 4.01Å; P163-F254 HydrophobicContact CB-CE2 3.76Å
164	Q	93.3	Very high	91.4	Very high	19 Å²	19	47.4 Å²	47.4	9%	0.089	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-134.5	149.2	178.5	-73.5	170.8	100.9	0	0	108.7	K62 V167 S252 E253 F254	K62-Q164 HydrophobicContact CB-CG 3.56Å; Q164-V167 HydrophobicContact CB-CG2 3.86Å; Q164-S252 PolarHBondContact N-O 3.3Å; Q164-S252 VanDerWaalsContact O-O 3.13Å; Q164-E253 WeakPolarHBondContact O-CA 3.48Å; Q164-F254 PolarHBondContact O-N 3.37Å; Q164-F254 VanDerWaalsContact O-N 3.14Å
165	L	94	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-76.9	-44.1	173.4	-172.9	65.1	0	0	0	109.6	N64 Q207 F209 F217 E253 W255 L258	N64-L165 WeakPolarHBondContact OD1-CB 3.46Å; L165-Q207 HydrophobicContact CD2-CG 3.45Å; L165-Q207 VanDerWaalsContact CD2-CG 3.45Å; L165-Q207 VanDerWaalsContact CD2-O 3.24Å; L165-Q207 WeakPolarHBondContact CD2-O 3.33Å; L165-F209 HydrophobicContact CB-CD2 4.29Å; L165-F209 HydrophobicContact CB-CE2 4.28Å; L165-F209 HydrophobicContact CD1-CE2 4.49Å; L165-F217 HydrophobicContact CD1-CD1 4.13Å; L165-F217 HydrophobicContact CD1-CE1 3.99Å; L165-E253 WeakPolarHBondContact O-CG 3.2Å; L165-W255 HydrophobicContact CD1-CB 3.88Å; L165-W255 HydrophobicContact CG-CB 4.17Å; L165-W255 WeakPolarHBondContact O-CB 2.78Å; L165-W255 PolarHBondContact O-N 3.36Å; L165-L258 HydrophobicContact CD1-CD1 3.88Å
166	F	92.1	Very high	90.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.			trans	-126.9	128.4	-179.6	-55.9	-62.4	0	0	0	110.1	N64 L66 G169 F199 Y200 V203 E253 W255	N64-F166 HydrophobicContact CB-CD2 4.2Å; L66-F166 HydrophobicContact CD2-CD2 3.43Å; L66-F166 VanDerWaalsContact CD2-CD2 3.43Å; L66-F166 HydrophobicContact CD2-CE2 3.73Å; L66-F166 HydrophobicContact CD2-CG 4.26Å; F166-G169 WeakPolarHBondContact CB-O 3.41Å; F166-F199 AromaticContact CE1-CE1 3.63Å; F166-F199 HydrophobicContact CE1-CE1 3.63Å; F166-F199 AromaticContact CE1-CZ 3.74Å; F166-F199 HydrophobicContact CE1-CZ 3.74Å; F166-F199 HydrophobicContact CZ-CE1 4.09Å; F166-Y200 HydrophobicContact CZ-CE1 4.39Å; F166-V203 HydrophobicContact CE1-CG1 4.03Å; F166-V203 HydrophobicContact CZ-CG1 3.72Å; F166-E253 WeakPolarHBondContact CA-OE1 3.4Å; F166-W255 HydrophobicContact CD1-CB 4.16Å; F166-W255 AromaticContact CD1-CD1 3.8Å; F166-W255 HydrophobicContact CD1-CG 4.12Å; F166-W255 HydrophobicContact CE1-CB 3.8Å; F166-W255 AromaticContact CE1-CG 3.99Å; F166-W255 HydrophobicContact CE1-CG 3.99Å
167	V	86.9	Confident	90.5	Very high	36 Å²	36	48.9 Å²	48.9	22%	0.218	25%	0.247	C	C	.	.	S	Bend	trans	-110.8	100.6	173.2	178.9	0	0	0	0	107.6	Q164 G169 E253	Q164-V167 HydrophobicContact CB-CG2 3.86Å; V167-G169 PolarHBondContact O-N 3.43Å; V167-E253 HydrophobicContact CB-CB 4.17Å; V167-E253 HydrophobicContact CB-CG 4.38Å; V167-E253 HydrophobicContact CG2-CB 3.66Å; V167-E253 HydrophobicContact CG2-CG 4.14Å; V167-E253 PolarHBondContact N-OE1 3.14Å
168	E	82.5	Confident	90.4	Very high	175 Å²	175	49.2 Å²	49.2	82%	0.818	25%	0.251	S	S	*	.	S	Bend	trans	64	24.6	-176.8	-52.3	-173.9	167.2	0	0	114.9
169	G	86.1	Confident	90.3	Very high	7 Å²	7	47 Å²	47	7%	0.072	24%	0.243	C	C	.	.	S	Bend	trans	115.4	-142.4	175.7	0	0	0	0	0	111.6	V65 F166 V167	V65-G169 PolarHBondContact O-N 3.33Å; F166-G169 WeakPolarHBondContact CB-O 3.41Å; V167-G169 PolarHBondContact O-N 3.43Å
170	H	88.9	Confident	90.1	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.116	23%	0.234	C	C	.	.			trans	-134.5	140.2	174.5	56.8	-82.3	0	0	0	108.6	D174 D196 F199 Y200 W255	H170-D174 WeakPolarHBondContact CA-OD2 3.48Å; H170-D196 IonicContact CE1-OD1 3.24Å; H170-D196 PolarHBondContact CE1-OD1 3.25Å; H170-D196 IonicContact NE2-OD1 3.13Å; H170-D196 PolarHBondContact NE2-OD1 3.27Å; H170-F199 HydrophobicContact CB-CD1 4.23Å; H170-F199 HydrophobicContact CB-CD2 4.29Å; H170-F199 HydrophobicContact CB-CE1 3.68Å; H170-F199 HydrophobicContact CB-CE2 3.74Å; H170-F199 HydrophobicContact CB-CZ 3.4Å; H170-F199 AromaticContact CD2-CD1 3.64Å; H170-F199 AromaticContact CD2-CD2 3.52Å; H170-F199 AromaticContact CD2-CE2 3.89Å; H170-F199 AromaticContact CD2-CG 3.37Å; H170-F199 WeakPolarHBondContact CD2-CG 3.4Å; H170-F199 AromaticContact CE1-CD1 3.62Å; H170-F199 AromaticContact CE1-CG 3.93Å; H170-F199 AromaticContact CG-CD1 3.55Å; H170-F199 AromaticContact CG-CD2 3.94Å; H170-F199 AromaticContact CG-CE1 3.5Å; H170-F199 AromaticContact CG-CE2 3.88Å; H170-F199 AromaticContact CG-CG 3.77Å; H170-F199 AromaticContact CG-CZ 3.67Å; H170-F199 AromaticContact ND1-CD1 3.52Å; H170-F199 AromaticContact ND1-CE1 3.63Å; H170-F199 AromaticContact NE2-CD1 3.67Å; H170-F199 AromaticContact NE2-CG 3.48Å; H170-F199 WeakPolarHBondContact NE2-CG 3.32Å; H170-Y200 AromaticContact CE1-CE2 3.73Å; H170-Y200 AromaticContact CE1-CZ 3.84Å; H170-Y200 AromaticContact ND1-CZ 3.82Å; H170-Y200 PolarHBondContact ND1-OH 3.47Å; H170-W255 HydrophobicContact CB-CZ2 4.39Å
171	S	89.7	Confident	89.8	Confident	39 Å²	39	45.5 Å²	45.5	27%	0.273	24%	0.244	S	C	.	.			trans	-147.9	159.4	-170.4	-175.2	0	0	0	0	111.5	F173 D174	S171-F173 PolarHBondContact O-N 2.67Å; S171-F173 VanDerWaalsContact OG-CD2 3.3Å; S171-F173 WeakPolarHBondContact OG-CD2 3.48Å; S171-F173 PolarHBondContact OG-N 2.74Å; S171-D174 PolarHBondContact N-OD2 2.88Å; S171-D174 VanDerWaalsContact O-CB 3.26Å; S171-D174 WeakPolarHBondContact O-CB 3.5Å; S171-D174 VanDerWaalsContact O-CG 3.28Å; S171-D174 PolarHBondContact O-N 3.24Å; S171-D174 VanDerWaalsContact O-N 3.1Å
172	R	85	Confident	89.9	Confident	15 Å²	15	38.5 Å²	38.5	6%	0.057	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.1	172	63.7	174.1	-179.2	-107.4	21.6	112.7	D174 V175 A190 N356 D393 E395	R172-D174 PolarHBondContact O-N 2.66Å; R172-V175 PolarHBondContact O-N 2.68Å; R172-A190 HydrophobicContact CB-CB 4.39Å; R172-N356 VanDerWaalsContact CD-O 3.31Å; R172-N356 WeakPolarHBondContact CD-O 3.39Å; R172-N356 PolarHBondContact NE-O 3.45Å; R172-D393 PolarHBondContact NH2-O 2.61Å; R172-D393 IonicContact NH2-OD1 3.43Å; R172-E395 IonicContact CZ-OE1 2.71Å; R172-E395 IonicContact NH1-OE1 3.19Å; R172-E395 PolarHBondContact NH1-OE1 2.71Å; R172-E395 IonicContact NH2-OE1 3.27Å
173	F	88.1	Confident	89.8	Confident	70 Å²	70	35.3 Å²	35.3	31%	0.307	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-70.2	-9.4	178	-57.7	-65.7	0	0	0	113.1	S171 V175 E249	S171-F173 PolarHBondContact O-N 2.67Å; S171-F173 VanDerWaalsContact OG-CD2 3.3Å; S171-F173 WeakPolarHBondContact OG-CD2 3.48Å; S171-F173 PolarHBondContact OG-N 2.74Å; F173-V175 PolarHBondContact O-N 2.74Å; F173-E249 WeakPolarHBondContact O-CB 3.46Å; F173-E249 PolarHBondContact O-N 3.1Å
174	D	91.4	Very high	89.6	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.059	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-86	-1.8	177.4	-48.6	-14	0	0	0	111.3	H170 S171 R172 H247 S248 E253 W255 S256	H170-D174 WeakPolarHBondContact CA-OD2 3.48Å; S171-D174 PolarHBondContact N-OD2 2.88Å; S171-D174 VanDerWaalsContact O-CB 3.26Å; S171-D174 WeakPolarHBondContact O-CB 3.5Å; S171-D174 VanDerWaalsContact O-CG 3.28Å; S171-D174 PolarHBondContact O-N 3.24Å; S171-D174 VanDerWaalsContact O-N 3.1Å; R172-D174 PolarHBondContact O-N 2.66Å; D174-H247 CarbonylContact C-O 3.56Å; D174-H247 CarbonylContact O-C 3.44Å; D174-H247 VanDerWaalsContact O-O 3.08Å; D174-S248 WeakPolarHBondContact CA-OG 3.24Å; D174-S248 VanDerWaalsContact CB-OG 3.31Å; D174-S248 WeakPolarHBondContact CB-OG 3.37Å; D174-S248 WeakPolarHBondContact O-CA 3.47Å; D174-S248 PolarHBondContact O-N 2.91Å; D174-S248 PolarHBondContact O-OG 3.01Å; D174-E253 VanDerWaalsContact CG-OE2 3.28Å; D174-W255 HydrophobicContact CB-CZ2 3.49Å; D174-W255 VanDerWaalsContact CB-CZ2 3.49Å; D174-W255 VanDerWaalsContact CB-NE1 3.33Å; D174-W255 PolarHBondContact OD2-NE1 2.8Å; D174-S256 WeakPolarHBondContact O-CB 3.29Å; D174-S256 PolarHBondContact O-OG 3.05Å
175	V	91	Very high	89.6	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	19%	0.19	C	C	.	.			trans	-118.4	73.7	-172	-169.1	0	0	0	0	110.2	R172 F173 L186 A189 A190 M246 W255	R172-V175 PolarHBondContact O-N 2.68Å; F173-V175 PolarHBondContact O-N 2.74Å; V175-L186 HydrophobicContact CG1-CB 3.68Å; V175-L186 HydrophobicContact CG1-CD2 4.03Å; V175-L186 HydrophobicContact CG1-CG 3.78Å; V175-L186 WeakPolarHBondContact CG1-O 3.25Å; V175-A189 HydrophobicContact CG1-CB 4.23Å; V175-A189 HydrophobicContact CG2-CB 4.44Å; V175-A190 HydrophobicContact CB-CB 4.44Å; V175-M246 HydrophobicContact CG1-CG 4.39Å; V175-M246 HydrophobicContact CG1-SD 4.07Å; V175-W255 HydrophobicContact CG2-CH2 3.57Å; V175-W255 HydrophobicContact CG2-CZ2 3.98Å
176	I	90.6	Very high	89.5	Confident	66 Å²	66	34.8 Å²	34.8	34%	0.338	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-102.5	130.4	176.8	-55.1	178.8	0	0	0	110	M246 H247 E249	I176-M246 WeakPolarHBondContact O-CA 3.38Å; I176-H247 WeakPolarHBondContact CA-O 3.42Å; I176-H247 VanDerWaalsContact CB-O 3.27Å; I176-H247 WeakPolarHBondContact CB-O 3.31Å; I176-H247 PolarHBondContact N-O 3.49Å; I176-H247 PolarHBondContact O-N 2.91Å; I176-H247 VanDerWaalsContact O-N 3.14Å; I176-H247 PolarHBondContact O-ND1 2.9Å; I176-E249 HydrophobicContact CD1-CB 3.99Å
177	Q	89.8	Confident	89.4	Confident	70 Å²	70	35 Å²	35	33%	0.327	19%	0.193	S	C	.	.			trans	-69.9	130.8	179.1	-160.5	176.7	-16.7	0	0	112.2	L180 L186	Q177-L180 PolarHBondContact NE2-O 2.78Å; Q177-L186 HydrophobicContact CB-CD2 3.54Å; Q177-L186 HydrophobicContact CG-CD2 3.92Å; Q177-L186 VanDerWaalsContact N-CD2 3.33Å
178	G	92.2	Very high	89.6	Confident	25 Å²	25	33.2 Å²	33.2	26%	0.258	18%	0.183	S	C	.	.			trans	-91.3	-146.1	167.9	0	0	0	0	0	112.9	L180 A244 Y245	G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 3.32Å; G178-A244 WeakPolarHBondContact CA-O 3.4Å; G178-Y245 WeakPolarHBondContact CA-O 3.05Å; G178-Y245 PolarHBondContact N-O 3.33Å
179	E	90.9	Very high	90.2	Very high	108 Å²	108	24.9 Å²	24.9	51%	0.505	14%	0.144	S	C	.	.	S	Bend	trans	-78.1	-8.4	-177.1	-63.7	-167.5	172.6	0	0	114.1	R149 I239 A244	R149-E179 IonicContact CZ-OE1 2.68Å; R149-E179 IonicContact NH1-OE1 3.15Å; R149-E179 PolarHBondContact NH1-OE1 2.78Å; E179-I239 WeakPolarHBondContact OE2-CD1 3.41Å; E179-A244 PolarHBondContact N-O 3.28Å
180	L	90.2	Very high	90.4	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-81.8	143.7	-178.4	-167.1	57.6	0	0	0	111.6	Q177 G178 D182 Y245 Y270 L273 K274	Q177-L180 PolarHBondContact NE2-O 2.78Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 3.32Å; L180-D182 VanDerWaalsContact C-N 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.3Å; L180-D182 HydrophobicContact CD2-CB 4.34Å; L180-D182 WeakPolarHBondContact CD2-OD2 3.31Å; L180-D182 HydrophobicContact CG-CB 4.11Å; L180-D182 PolarHBondContact O-N 2.88Å; L180-Y245 HydrophobicContact CB-CD1 3.56Å; L180-Y245 HydrophobicContact CB-CE1 3.93Å; L180-Y245 HydrophobicContact CB-CG 4.16Å; L180-Y245 HydrophobicContact CD2-CG 4.47Å; L180-Y270 HydrophobicContact CD2-CD1 3.88Å; L180-L273 HydrophobicContact CD2-CB 4.17Å; L180-L273 HydrophobicContact CD2-CD1 4.32Å; L180-K274 HydrophobicContact CD1-CD 4.28Å; L180-K274 HydrophobicContact CD1-CG 3.61Å
181	G	89.2	Confident	90.5	Very high	39 Å²	39	23.9 Å²	23.9	40%	0.402	14%	0.139	S	C	.	.	S	Bend	trans	-89.2	54	-177.8	0	0	0	0	0	112.8	K274 G275	G181-K274 WeakPolarHBondContact O-CA 3.32Å; G181-G275 PolarHBondContact O-N 3.48Å
182	D	91	Very high	90.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.			trans	-127.6	29.9	-170.1	65.3	-27.6	0	0	0	113.3	L180 W184 L185 L186 E260 L273	L180-D182 VanDerWaalsContact C-N 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.3Å; L180-D182 HydrophobicContact CD2-CB 4.34Å; L180-D182 WeakPolarHBondContact CD2-OD2 3.31Å; L180-D182 HydrophobicContact CG-CB 4.11Å; L180-D182 PolarHBondContact O-N 2.88Å; D182-W184 PolarHBondContact O-N 3.03Å; D182-L185 VanDerWaalsContact O-CB 3.32Å; D182-L185 WeakPolarHBondContact O-CB 3.17Å; D182-L185 PolarHBondContact O-N 2.86Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.44Å; D182-L186 PolarHBondContact O-N 3.34Å; D182-E260 VanDerWaalsContact OD2-OE1 3.09Å; D182-L273 HydrophobicContact CB-CB 3.93Å; D182-L273 WeakPolarHBondContact CB-O 3.45Å
183	C	88.9	Confident	91	Very high	23 Å²	23	22 Å²	22	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-46.9	-32.5	177.1	53.6	0	0	0	0	114.9	L185 L186 A187 V331	C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 2.96Å; C183-L186 WeakPolarHBondContact O-CB 3.2Å; C183-L186 PolarHBondContact O-N 3.19Å; C183-A187 WeakPolarHBondContact O-CB 3.29Å; C183-A187 PolarHBondContact O-N 2.9Å; C183-V331 PolarHBondContact SG-O 2.82Å; C183-V331 VanDerWaalsContact SG-O 3.35Å
184	W	90.2	Very high	91	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-38.9	174.8	65.4	-81.6	0	0	0	113.2	D182 A188 Y263 L273 E280 A281	D182-W184 PolarHBondContact O-N 3.03Å; W184-A188 PolarHBondContact O-N 3.03Å; W184-Y263 AromaticContact CH2-CE1 3.7Å; W184-Y263 HydrophobicContact CH2-CE1 3.7Å; W184-Y263 HydrophobicContact CZ2-CE1 4.39Å; W184-Y263 HydrophobicContact CZ3-CE1 4.26Å; W184-L273 PolarHBondContact NE1-O 3.43Å; W184-E280 HydrophobicContact CE3-CB 4.37Å; W184-E280 HydrophobicContact CZ3-CB 3.85Å; W184-A281 HydrophobicContact CE3-CB 3.77Å; W184-A281 HydrophobicContact CZ3-CB 3.67Å
185	L	93.4	Very high	90.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69	-42.9	175.5	177	62.3	0	0	0	110.5	D182 C183 A188 A189 M246 E260 Y263 L273 A281 F285	D182-L185 VanDerWaalsContact O-CB 3.32Å; D182-L185 WeakPolarHBondContact O-CB 3.17Å; D182-L185 PolarHBondContact O-N 2.86Å; C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 2.96Å; L185-A188 PolarHBondContact O-N 3.45Å; L185-A189 WeakPolarHBondContact O-CB 3.44Å; L185-A189 PolarHBondContact O-N 2.67Å; L185-M246 HydrophobicContact CD2-CE 4.11Å; L185-M246 HydrophobicContact CG-CE 4.07Å; L185-E260 HydrophobicContact CD2-CG 4.22Å; L185-Y263 HydrophobicContact CD1-CD1 3.53Å; L185-Y263 HydrophobicContact CD1-CD2 4.46Å; L185-Y263 HydrophobicContact CD1-CE1 3.5Å; L185-Y263 HydrophobicContact CD1-CE2 4.45Å; L185-Y263 HydrophobicContact CD1-CG 4.01Å; L185-Y263 HydrophobicContact CD2-CD1 3.53Å; L185-Y263 HydrophobicContact CD2-CE1 4.12Å; L185-Y263 HydrophobicContact CD2-CG 4.23Å; L185-Y263 HydrophobicContact CG-CD1 4.16Å; L185-Y263 HydrophobicContact CG-CE1 4.36Å; L185-L273 HydrophobicContact CD2-CD1 3.91Å; L185-A281 HydrophobicContact CD1-CB 3.89Å; L185-F285 HydrophobicContact CD1-CE1 4.15Å; L185-F285 HydrophobicContact CD1-CE2 4.09Å; L185-F285 HydrophobicContact CD1-CZ 3.4Å
186	L	92.5	Very high	90.9	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-42.8	178	-78.5	82.4	0	0	0	111.7	V175 Q177 D182 C183 A188 A189 A190 M246	V175-L186 HydrophobicContact CG1-CB 3.68Å; V175-L186 HydrophobicContact CG1-CD2 4.03Å; V175-L186 HydrophobicContact CG1-CG 3.78Å; V175-L186 WeakPolarHBondContact CG1-O 3.25Å; Q177-L186 HydrophobicContact CB-CD2 3.54Å; Q177-L186 HydrophobicContact CG-CD2 3.92Å; Q177-L186 VanDerWaalsContact N-CD2 3.33Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.44Å; D182-L186 PolarHBondContact O-N 3.34Å; C183-L186 WeakPolarHBondContact O-CB 3.2Å; C183-L186 PolarHBondContact O-N 3.19Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.32Å; L186-A189 PolarHBondContact O-N 3.45Å; L186-A190 WeakPolarHBondContact O-CB 3.47Å; L186-A190 PolarHBondContact O-N 2.98Å; L186-M246 HydrophobicContact CB-CE 4.43Å; L186-M246 HydrophobicContact CD1-CE 3.5Å; L186-M246 HydrophobicContact CD2-CE 4.47Å; L186-M246 HydrophobicContact CD2-CG 4.2Å; L186-M246 HydrophobicContact CG-CE 3.47Å; L186-M246 VanDerWaalsContact CG-CE 3.47Å; L186-M246 HydrophobicContact CG-CG 4.16Å; L186-M246 HydrophobicContact CG-SD 4.28Å
187	A	88.6	Confident	90.8	Very high	4 Å²	4	23 Å²	23	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-49.3	175.5	0	0	0	0	0	110.5	C183 A189 A190 S191 T278	C183-A187 WeakPolarHBondContact O-CB 3.29Å; C183-A187 PolarHBondContact O-N 2.9Å; A187-A189 PolarHBondContact O-N 3.26Å; A187-A190 PolarHBondContact O-N 2.71Å; A187-S191 PolarHBondContact O-N 2.79Å; A187-S191 PolarHBondContact O-OG 3.25Å; A187-T278 HydrophobicContact CB-CG2 3.88Å
188	A	91.9	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-38.6	177.2	0	0	0	0	0	112.9	W184 L185 L186 S191 L192 T278 A281 L282 F285	W184-A188 PolarHBondContact O-N 3.03Å; L185-A188 PolarHBondContact O-N 3.45Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.32Å; A188-S191 PolarHBondContact O-N 2.94Å; A188-L192 WeakPolarHBondContact O-CB 3.43Å; A188-L192 PolarHBondContact O-N 3.1Å; A188-T278 HydrophobicContact CB-CG2 4.02Å; A188-A281 HydrophobicContact CB-CB 3.36Å; A188-L282 HydrophobicContact CB-CD2 3.98Å; A188-L282 HydrophobicContact CB-CG 3.87Å; A188-F285 HydrophobicContact CB-CD2 3.98Å; A188-F285 HydrophobicContact CB-CE2 3.89Å
189	A	93.9	Very high	91.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-38.1	178.1	0	0	0	0	0	111.4	V175 L185 L186 A187 L192 T193 L259 F285	V175-A189 HydrophobicContact CG1-CB 4.23Å; V175-A189 HydrophobicContact CG2-CB 4.44Å; L185-A189 WeakPolarHBondContact O-CB 3.44Å; L185-A189 PolarHBondContact O-N 2.67Å; L186-A189 PolarHBondContact O-N 3.45Å; A187-A189 PolarHBondContact O-N 3.26Å; A189-L192 WeakPolarHBondContact O-CB 3.3Å; A189-L192 PolarHBondContact O-N 3.02Å; A189-T193 WeakPolarHBondContact O-CG2 3.39Å; A189-T193 PolarHBondContact O-N 3.36Å; A189-L259 HydrophobicContact CB-CD2 4.12Å; A189-F285 HydrophobicContact CB-CE2 4.03Å
190	A	91.2	Very high	91.2	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-45.7	173	0	0	0	0	0	111.2	R172 V175 L186 A187 L192 T193 R355 P357	R172-A190 HydrophobicContact CB-CB 4.39Å; V175-A190 HydrophobicContact CB-CB 4.44Å; L186-A190 WeakPolarHBondContact O-CB 3.47Å; L186-A190 PolarHBondContact O-N 2.98Å; A187-A190 PolarHBondContact O-N 2.71Å; A190-L192 PolarHBondContact O-N 3.02Å; A190-T193 PolarHBondContact O-N 3.16Å; A190-T193 VanDerWaalsContact O-N 3.11Å; A190-T193 PolarHBondContact O-OG1 3.2Å; A190-R355 PolarHBondContact O-NH2 3.31Å; A190-P357 HydrophobicContact CB-CB 3.57Å
191	S	91	Very high	91.4	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	8%	0.08	C	C	.	.	H	α-helix	trans	-59.3	-34.6	174.6	-55.6	0	0	0	0	112.1	A187 A188 T193 L194 D337	A187-S191 PolarHBondContact O-N 2.79Å; A187-S191 PolarHBondContact O-OG 3.25Å; A188-S191 PolarHBondContact O-N 2.94Å; S191-T193 PolarHBondContact O-N 3.3Å; S191-L194 VanDerWaalsContact O-CB 3.26Å; S191-L194 WeakPolarHBondContact O-CB 3.3Å; S191-L194 WeakPolarHBondContact O-CD1 3.36Å; S191-L194 WeakPolarHBondContact O-CG 3.41Å; S191-L194 PolarHBondContact O-N 3.01Å; S191-L194 VanDerWaalsContact O-N 3.12Å; S191-D337 WeakPolarHBondContact CB-OD1 3.47Å; S191-D337 PolarHBondContact OG-OD1 3.14Å
192	L	92.3	Very high	91.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.5	-31	177.7	-172.1	65	0	0	0	112.4	A188 A189 A190 L194 K195 L198 F199 V202 F285	A188-L192 WeakPolarHBondContact O-CB 3.43Å; A188-L192 PolarHBondContact O-N 3.1Å; A189-L192 WeakPolarHBondContact O-CB 3.3Å; A189-L192 PolarHBondContact O-N 3.02Å; A190-L192 PolarHBondContact O-N 3.02Å; L192-L194 PolarHBondContact O-N 3.49Å; L192-L194 VanDerWaalsContact O-N 3.1Å; L192-K195 PolarHBondContact O-N 3.06Å; L192-L198 HydrophobicContact CD1-CB 3.63Å; L192-F199 HydrophobicContact CD2-CD2 4.34Å; L192-F199 HydrophobicContact CG-CB 4.33Å; L192-F199 HydrophobicContact CG-CD2 4.35Å; L192-V202 HydrophobicContact CD1-CG2 4.45Å; L192-V202 HydrophobicContact CD2-CB 3.86Å; L192-V202 HydrophobicContact CD2-CG1 4.18Å; L192-V202 HydrophobicContact CD2-CG2 3.82Å; L192-F285 HydrophobicContact CB-CD2 4.47Å; L192-F285 HydrophobicContact CD1-CB 4.22Å; L192-F285 HydrophobicContact CD2-CB 4.29Å; L192-F285 HydrophobicContact CD2-CD2 4.08Å; L192-F285 HydrophobicContact CD2-CG 4.23Å
193	T	92.1	Very high	92	Very high	13 Å²	13	11.5 Å²	11.5	8%	0.08	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.8	177.6	86.8	0	0	0	0	113.8	A189 A190 S191 K195 F199 W255 R355	A189-T193 WeakPolarHBondContact O-CG2 3.39Å; A189-T193 PolarHBondContact O-N 3.36Å; A190-T193 PolarHBondContact O-N 3.16Å; A190-T193 VanDerWaalsContact O-N 3.11Å; A190-T193 PolarHBondContact O-OG1 3.2Å; S191-T193 PolarHBondContact O-N 3.3Å; T193-K195 VanDerWaalsContact C-N 3.3Å; T193-F199 HydrophobicContact CG2-CD2 4.49Å; T193-W255 HydrophobicContact CG2-CH2 4.09Å; T193-W255 HydrophobicContact CG2-CZ2 4.2Å; T193-R355 PolarHBondContact OG1-NH1 2.79Å
194	L	88.6	Confident	92.3	Very high	43 Å²	43	10.4 Å²	10.4	23%	0.225	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.4	173.5	-73.3	167	0	0	0	113.3	S191 L192 L315 D337 V339 R355	S191-L194 VanDerWaalsContact O-CB 3.26Å; S191-L194 WeakPolarHBondContact O-CB 3.3Å; S191-L194 WeakPolarHBondContact O-CD1 3.36Å; S191-L194 WeakPolarHBondContact O-CG 3.41Å; S191-L194 PolarHBondContact O-N 3.01Å; S191-L194 VanDerWaalsContact O-N 3.12Å; L192-L194 PolarHBondContact O-N 3.49Å; L192-L194 VanDerWaalsContact O-N 3.1Å; L194-L315 HydrophobicContact CB-CD2 4.36Å; L194-D337 HydrophobicContact CD1-CB 3.65Å; L194-V339 HydrophobicContact CD1-CG2 4.41Å; L194-V339 HydrophobicContact CD2-CB 4.22Å; L194-V339 HydrophobicContact CD2-CG1 3.73Å; L194-V339 HydrophobicContact CD2-CG2 3.58Å; L194-R355 VanDerWaalsContact CG-NH2 3.32Å
195	K	89.3	Confident	92.4	Very high	54 Å²	54	10.4 Å²	10.4	24%	0.235	5%	0.054	C	C	.	.			trans	-136.1	98.8	-173.2	-63.4	-167.3	-178.9	-174.2	0	109.5	L192 T193 E197 L198 F199 G313 S314 L315	L192-K195 PolarHBondContact O-N 3.06Å; T193-K195 VanDerWaalsContact C-N 3.3Å; K195-E197 PolarHBondContact O-N 2.84Å; K195-L198 HydrophobicContact CB-CB 4.16Å; K195-L198 HydrophobicContact CB-CD1 4Å; K195-L198 HydrophobicContact CB-CG 4.09Å; K195-L198 HydrophobicContact CD-CD1 3.86Å; K195-L198 HydrophobicContact CG-CD1 4.43Å; K195-L198 PolarHBondContact O-N 2.81Å; K195-F199 PolarHBondContact O-N 2.93Å; K195-G313 PolarHBondContact NZ-O 3.25Å; K195-S314 PolarHBondContact NZ-O 3.22Å; K195-L315 HydrophobicContact CD-CD2 3.86Å; K195-L315 HydrophobicContact CG-CD2 4.06Å
196	D	90.2	Very high	92.2	Very high	43 Å²	43	11 Å²	11	23%	0.23	6%	0.056	C	C	.	.	H	α-helix	trans	-44.7	-41.6	178	-74.3	25.2	0	0	0	112.2	I69 H170 L198 F199 Y200	I69-D196 HydrophobicContact CB-CB 3.82Å; I69-D196 WeakPolarHBondContact CB-OD2 3.42Å; I69-D196 HydrophobicContact CD1-CB 3.74Å; I69-D196 HydrophobicContact CG1-CB 4.38Å; I69-D196 HydrophobicContact CG2-CB 3.65Å; H170-D196 IonicContact CE1-OD1 3.24Å; H170-D196 PolarHBondContact CE1-OD1 3.25Å; H170-D196 IonicContact NE2-OD1 3.13Å; H170-D196 PolarHBondContact NE2-OD1 3.27Å; D196-L198 PolarHBondContact O-N 3.36Å; D196-F199 PolarHBondContact O-N 3.14Å; D196-Y200 HydrophobicContact CB-CD2 4.2Å; D196-Y200 HydrophobicContact CB-CE2 4.09Å; D196-Y200 WeakPolarHBondContact O-CB 3.29Å; D196-Y200 WeakPolarHBondContact O-CD2 3.35Å; D196-Y200 PolarHBondContact O-N 3.46Å
197	E	89.3	Confident	92.3	Very high	37 Å²	37	11 Å²	11	17%	0.173	6%	0.056	C	C	.	.	H	α-helix	trans	-67.3	-39.1	-177.2	-51.1	85.8	179.4	0	0	112.9	I69 K195 R201 I423 M426 T427	I69-E197 HydrophobicContact CG2-CG 4.31Å; K195-E197 PolarHBondContact O-N 2.84Å; E197-R201 WeakPolarHBondContact O-CB 3.2Å; E197-R201 PolarHBondContact O-N 3.49Å; E197-R201 VanDerWaalsContact O-N 3.16Å; E197-I423 HydrophobicContact CB-CB 4.33Å; E197-I423 HydrophobicContact CB-CG1 3.89Å; E197-I423 HydrophobicContact CB-CG2 3.79Å; E197-I423 HydrophobicContact CG-CG2 3.76Å; E197-M426 HydrophobicContact CB-CE 4.33Å; E197-M426 WeakPolarHBondContact O-CE 2.99Å; E197-T427 HydrophobicContact CB-CG2 4.45Å; E197-T427 HydrophobicContact CG-CG2 3.32Å
198	L	92.8	Very high	92.4	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-71.7	-40.1	174.4	-65.4	179.4	0	0	0	110.5	L192 K195 D196 R201 V202 T286 L315 L415 V419 I423	L192-L198 HydrophobicContact CD1-CB 3.63Å; K195-L198 HydrophobicContact CB-CB 4.16Å; K195-L198 HydrophobicContact CB-CD1 4Å; K195-L198 HydrophobicContact CB-CG 4.09Å; K195-L198 HydrophobicContact CD-CD1 3.86Å; K195-L198 HydrophobicContact CG-CD1 4.43Å; K195-L198 PolarHBondContact O-N 2.81Å; D196-L198 PolarHBondContact O-N 3.36Å; L198-R201 WeakPolarHBondContact O-CB 3.4Å; L198-R201 PolarHBondContact O-N 3.47Å; L198-V202 PolarHBondContact O-N 3.45Å; L198-T286 HydrophobicContact CD1-CG2 4.16Å; L198-L315 HydrophobicContact CD1-CD1 3.93Å; L198-L315 HydrophobicContact CD1-CD2 4.36Å; L198-L315 HydrophobicContact CD1-CG 4.16Å; L198-L415 HydrophobicContact CD1-CD1 3.98Å; L198-L415 HydrophobicContact CD1-CD2 4.37Å; L198-L415 HydrophobicContact CD2-CD1 4.32Å; L198-V419 HydrophobicContact CD2-CG1 3.74Å; L198-I423 HydrophobicContact CD2-CD1 3.77Å; L198-I423 HydrophobicContact CD2-CG1 4.47Å; L198-I423 HydrophobicContact CG-CD1 4.31Å
199	F	95.3	Very high	92.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-54.9	175.4	179.3	-92.1	0	0	0	111.4	F166 H170 L192 T193 K195 D196 R201 V202 V203 W255	F166-F199 AromaticContact CE1-CE1 3.63Å; F166-F199 HydrophobicContact CE1-CE1 3.63Å; F166-F199 AromaticContact CE1-CZ 3.74Å; F166-F199 HydrophobicContact CE1-CZ 3.74Å; F166-F199 HydrophobicContact CZ-CE1 4.09Å; H170-F199 HydrophobicContact CB-CD1 4.23Å; H170-F199 HydrophobicContact CB-CD2 4.29Å; H170-F199 HydrophobicContact CB-CE1 3.68Å; H170-F199 HydrophobicContact CB-CE2 3.74Å; H170-F199 HydrophobicContact CB-CZ 3.4Å; H170-F199 AromaticContact CD2-CD1 3.64Å; H170-F199 AromaticContact CD2-CD2 3.52Å; H170-F199 AromaticContact CD2-CE2 3.89Å; H170-F199 AromaticContact CD2-CG 3.37Å; H170-F199 WeakPolarHBondContact CD2-CG 3.4Å; H170-F199 AromaticContact CE1-CD1 3.62Å; H170-F199 AromaticContact CE1-CG 3.93Å; H170-F199 AromaticContact CG-CD1 3.55Å; H170-F199 AromaticContact CG-CD2 3.94Å; H170-F199 AromaticContact CG-CE1 3.5Å; H170-F199 AromaticContact CG-CE2 3.88Å; H170-F199 AromaticContact CG-CG 3.77Å; H170-F199 AromaticContact CG-CZ 3.67Å; H170-F199 AromaticContact ND1-CD1 3.52Å; H170-F199 AromaticContact ND1-CE1 3.63Å; H170-F199 AromaticContact NE2-CD1 3.67Å; H170-F199 AromaticContact NE2-CG 3.48Å; H170-F199 WeakPolarHBondContact NE2-CG 3.32Å; L192-F199 HydrophobicContact CD2-CD2 4.34Å; L192-F199 HydrophobicContact CG-CB 4.33Å; L192-F199 HydrophobicContact CG-CD2 4.35Å; T193-F199 HydrophobicContact CG2-CD2 4.49Å; K195-F199 PolarHBondContact O-N 2.93Å; D196-F199 PolarHBondContact O-N 3.14Å; F199-R201 PolarHBondContact O-N 3.25Å; F199-V202 PolarHBondContact O-N 3.05Å; F199-V203 HydrophobicContact CD1-CB 4.34Å; F199-V203 HydrophobicContact CD2-CG2 4.42Å; F199-V203 HydrophobicContact CE1-CB 3.81Å; F199-V203 HydrophobicContact CE1-CG1 4.19Å; F199-V203 HydrophobicContact CE1-CG2 4.2Å; F199-V203 HydrophobicContact CE2-CB 4.43Å; F199-V203 HydrophobicContact CE2-CG2 3.9Å; F199-V203 HydrophobicContact CZ-CB 3.86Å; F199-V203 HydrophobicContact CZ-CG1 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.78Å; F199-V203 PolarHBondContact O-N 3.43Å; F199-W255 HydrophobicContact CE2-CD2 4.09Å; F199-W255 AromaticContact CE2-CE3 3.81Å; F199-W255 HydrophobicContact CE2-CE3 3.81Å; F199-W255 AromaticContact CE2-CH2 3.79Å; F199-W255 HydrophobicContact CE2-CH2 3.79Å; F199-W255 AromaticContact CE2-CZ2 4Å; F199-W255 HydrophobicContact CE2-CZ2 4Å; F199-W255 AromaticContact CE2-CZ3 3.7Å; F199-W255 HydrophobicContact CE2-CZ3 3.7Å; F199-W255 AromaticContact CZ-CD2 3.91Å; F199-W255 HydrophobicContact CZ-CD2 3.91Å; F199-W255 AromaticContact CZ-CE3 3.96Å; F199-W255 HydrophobicContact CZ-CE3 3.96Å; F199-W255 HydrophobicContact CZ-CG 4.37Å; F199-W255 HydrophobicContact CZ-CZ2 4.44Å; F199-W255 HydrophobicContact CZ-CZ3 4.32Å
200	Y	93.9	Very high	92.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.8	-16.8	-178.5	-70.1	-61.8	0	0	0	113.2	L66 I73 R84 F166 H170 D196 V203 P205	L66-Y200 HydrophobicContact CD2-CE1 4.27Å; I73-Y200 HydrophobicContact CD1-CD2 3.83Å; I73-Y200 HydrophobicContact CD1-CG 4.12Å; R84-Y200 PolarHBondContact NH2-O 2.98Å; F166-Y200 HydrophobicContact CZ-CE1 4.39Å; H170-Y200 AromaticContact CE1-CE2 3.73Å; H170-Y200 AromaticContact CE1-CZ 3.84Å; H170-Y200 AromaticContact ND1-CZ 3.82Å; H170-Y200 PolarHBondContact ND1-OH 3.47Å; D196-Y200 HydrophobicContact CB-CD2 4.2Å; D196-Y200 HydrophobicContact CB-CE2 4.09Å; D196-Y200 WeakPolarHBondContact O-CB 3.29Å; D196-Y200 WeakPolarHBondContact O-CD2 3.35Å; D196-Y200 PolarHBondContact O-N 3.46Å; Y200-V203 WeakPolarHBondContact CA-O 3.33Å; Y200-V203 CarbonylContact O-C 3.42Å; Y200-P205 HydrophobicContact CD1-CB 3.86Å; Y200-P205 HydrophobicContact CD1-CG 4.07Å; Y200-P205 HydrophobicContact CE1-CB 4.02Å
201	R	93.4	Very high	92.2	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.015	6%	0.059	C	C	.	.	H	α-helix	trans	-65.2	-42.9	168.1	178.2	56.5	174.8	173	-10.4	110.8	K85 E197 L198 F199 Q220 W227 E422 M426	K85-R201 PolarHBondContact O-NH2 3.03Å; E197-R201 WeakPolarHBondContact O-CB 3.2Å; E197-R201 PolarHBondContact O-N 3.49Å; E197-R201 VanDerWaalsContact O-N 3.16Å; L198-R201 WeakPolarHBondContact O-CB 3.4Å; L198-R201 PolarHBondContact O-N 3.47Å; F199-R201 PolarHBondContact O-N 3.25Å; R201-Q220 WeakPolarHBondContact O-CB 3.42Å; R201-Q220 PolarHBondContact O-OE1 3.45Å; R201-W227 HydrophobicContact CG-CE3 4.34Å; R201-W227 HydrophobicContact CG-CH2 3.47Å; R201-W227 VanDerWaalsContact CG-CH2 3.47Å; R201-W227 HydrophobicContact CG-CZ2 3.8Å; R201-W227 HydrophobicContact CG-CZ3 3.78Å; R201-E422 IonicContact CZ-OE1 2.86Å; R201-E422 IonicContact CZ-OE2 3.88Å; R201-E422 IonicContact NE-OE1 2.92Å; R201-E422 PolarHBondContact NE-OE1 2.79Å; R201-E422 IonicContact NE-OE2 3.52Å; R201-E422 PolarHBondContact NE-OE2 3.44Å; R201-E422 IonicContact NH1-OE1 3.41Å; R201-E422 PolarHBondContact NH1-OE1 3.23Å; R201-E422 IonicContact NH1-OE2 2.99Å; R201-E422 IonicContact NH2-OE1 3.28Å; R201-E422 PolarHBondContact NH2-OE1 3.4Å; R201-E422 IonicContact NH2-OE2 3.52Å; R201-E422 PolarHBondContact NH2-OE2 2.84Å; R201-M426 HydrophobicContact CB-CE 4.33Å
202	V	96.9	Very high	92.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-82.8	-38.6	179.1	178	0	0	0	0	112.7	L192 L198 F199 P204 F219 Q220 F221 W227 L259 F285	L192-V202 HydrophobicContact CD1-CG2 4.45Å; L192-V202 HydrophobicContact CD2-CB 3.86Å; L192-V202 HydrophobicContact CD2-CG1 4.18Å; L192-V202 HydrophobicContact CD2-CG2 3.82Å; L198-V202 PolarHBondContact O-N 3.45Å; F199-V202 PolarHBondContact O-N 3.05Å; V202-P204 WeakPolarHBondContact O-CD 3.43Å; V202-F219 CarbonylContact O-C 3.55Å; V202-F219 WeakPolarHBondContact O-CA 3.28Å; V202-Q220 WeakPolarHBondContact CA-O 3.46Å; V202-Q220 PolarHBondContact O-N 3.32Å; V202-F221 HydrophobicContact CG1-CD1 4.16Å; V202-F221 HydrophobicContact CG1-CE1 3.82Å; V202-W227 HydrophobicContact CG2-CZ3 4.33Å; V202-L259 HydrophobicContact CG1-CD1 3.58Å; V202-F285 HydrophobicContact CG1-CD1 4.22Å; V202-F285 HydrophobicContact CG2-CB 4Å; V202-F285 HydrophobicContact CG2-CD1 4.44Å; V202-F285 HydrophobicContact CG2-CG 4.42Å; V202-F285 WeakPolarHBondContact CG2-O 3.49Å
203	V	96.7	Very high	92.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-114.3	86	-178.6	-169.5	0	0	0	0	109.4	F166 F199 Y200 F219 W255 L259	F166-V203 HydrophobicContact CE1-CG1 4.03Å; F166-V203 HydrophobicContact CZ-CG1 3.72Å; F199-V203 HydrophobicContact CD1-CB 4.34Å; F199-V203 HydrophobicContact CD2-CG2 4.42Å; F199-V203 HydrophobicContact CE1-CB 3.81Å; F199-V203 HydrophobicContact CE1-CG1 4.19Å; F199-V203 HydrophobicContact CE1-CG2 4.2Å; F199-V203 HydrophobicContact CE2-CB 4.43Å; F199-V203 HydrophobicContact CE2-CG2 3.9Å; F199-V203 HydrophobicContact CZ-CB 3.86Å; F199-V203 HydrophobicContact CZ-CG1 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.78Å; F199-V203 PolarHBondContact O-N 3.43Å; Y200-V203 WeakPolarHBondContact CA-O 3.33Å; Y200-V203 CarbonylContact O-C 3.42Å; V203-F219 HydrophobicContact CB-CD1 4.44Å; V203-F219 HydrophobicContact CB-CE1 4.38Å; V203-F219 HydrophobicContact CG1-CD1 4.3Å; V203-F219 HydrophobicContact CG1-CE1 3.82Å; V203-F219 HydrophobicContact CG2-CD1 4.02Å; V203-F219 HydrophobicContact CG2-CE1 4.03Å; V203-W255 HydrophobicContact CG2-CE3 4.44Å; V203-L259 HydrophobicContact CG2-CD1 4.28Å
204	P	94.1	Very high	92.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.			trans	-51.3	132.8	177.6	-28.7	33.9	0	0	0	113.1	V202 D206 Q207 H218 Q220	V202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-D206 VanDerWaalsContact C-N 3.28Å; P204-D206 WeakPolarHBondContact CB-OD1 3.46Å; P204-D206 PolarHBondContact O-N 3.35Å; P204-Q207 WeakPolarHBondContact O-CG 3.46Å; P204-Q207 PolarHBondContact O-NE2 3.18Å; P204-H218 VanDerWaalsContact CB-NE2 3.31Å; P204-H218 WeakPolarHBondContact CB-NE2 3.44Å; P204-Q220 HydrophobicContact CG-CG 4.07Å
205	P	92.1	Very high	92.9	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.013	5%	0.049	C	C	.	.	S	Bend	trans	-80	-4.1	-179.4	31	-34.4	0	0	0	114.2	L66 I73 L74 I77 Y200 Q207	L66-P205 HydrophobicContact CD1-CB 4.08Å; L66-P205 HydrophobicContact CD2-CB 4.36Å; I73-P205 HydrophobicContact CG2-CG 4.02Å; L74-P205 HydrophobicContact CB-CB 4.3Å; L74-P205 HydrophobicContact CB-CG 4.06Å; L74-P205 HydrophobicContact CD1-CB 4.45Å; L74-P205 HydrophobicContact CD1-CG 4.32Å; I77-P205 HydrophobicContact CD1-CG 4.2Å; Y200-P205 HydrophobicContact CD1-CB 3.86Å; Y200-P205 HydrophobicContact CD1-CG 4.07Å; Y200-P205 HydrophobicContact CE1-CB 4.02Å; P205-Q207 PolarHBondContact O-N 3.2Å
206	D	91.1	Very high	93.3	Very high	11 Å²	11	7.6 Å²	7.6	6%	0.059	4%	0.039	C	C	.	.	S	Bend	trans	-88.1	24.9	-175.8	62.1	-42	0	0	0	114.2	L74 Y116 P204 H218	L74-D206 HydrophobicContact CD1-CB 3.63Å; Y116-D206 WeakPolarHBondContact CE1-OD2 3.42Å; Y116-D206 VanDerWaalsContact CZ-OD2 3.31Å; Y116-D206 PolarHBondContact OH-OD2 2.86Å; P204-D206 VanDerWaalsContact C-N 3.28Å; P204-D206 WeakPolarHBondContact CB-OD1 3.46Å; P204-D206 PolarHBondContact O-N 3.35Å; D206-H218 IonicContact OD1-NE2 2.81Å
207	Q	92.9	Very high	93.7	Very high	6 Å²	6	5.6 Å²	5.6	3%	0.028	3%	0.028	C	C	.	.			trans	-132.2	147.4	176.1	68.6	-165.1	-56.9	0	0	110	N64 F115 L165 P204 P205 F217 H218	N64-Q207 PolarHBondContact ND2-O 3.1Å; F115-Q207 HydrophobicContact CZ-CB 4.04Å; L165-Q207 HydrophobicContact CD2-CG 3.45Å; L165-Q207 VanDerWaalsContact CD2-CG 3.45Å; L165-Q207 VanDerWaalsContact CD2-O 3.24Å; L165-Q207 WeakPolarHBondContact CD2-O 3.33Å; P204-Q207 WeakPolarHBondContact O-CG 3.46Å; P204-Q207 PolarHBondContact O-NE2 3.18Å; P205-Q207 PolarHBondContact O-N 3.2Å; Q207-F217 HydrophobicContact CB-CD1 4.22Å; Q207-F217 HydrophobicContact CG-CD1 3.97Å; Q207-F217 HydrophobicContact CG-CE1 4.46Å; Q207-F217 VanDerWaalsContact OE1-CA 3.25Å; Q207-F217 VanDerWaalsContact OE1-CB 3.23Å; Q207-F217 VanDerWaalsContact OE1-CD1 3.24Å; Q207-H218 PolarHBondContact NE2-O 2.91Å; Q207-H218 PolarHBondContact OE1-O 3.48Å
208	S	92.4	Very high	94.1	Very high	7 Å²	7	3.8 Å²	3.8	5%	0.049	2%	0.02	C	C	.	.			trans	-160.2	172.7	-176.2	77.9	0	0	0	0	111.7	T210 E211	S208-T210 VanDerWaalsContact C-N 3.33Å; S208-T210 PolarHBondContact OG-N 2.59Å; S208-T210 VanDerWaalsContact OG-N 3.07Å; S208-E211 PolarHBondContact OG-N 2.74Å; S208-E211 PolarHBondContact OG-O 2.61Å
209	F	93.2	Very high	94.4	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	S	Bend	trans	-90.2	10.6	168.5	-70.4	-82.4	0	0	0	113.4	N54 L59 P156 P163 L165 Y213 F217 F254 L258	N54-F209 WeakPolarHBondContact CB-O 3.37Å; L59-F209 HydrophobicContact CD2-CD1 3.83Å; P156-F209 HydrophobicContact CB-CD1 4.5Å; P156-F209 HydrophobicContact CB-CE1 3.71Å; P156-F209 HydrophobicContact CB-CZ 3.96Å; P156-F209 HydrophobicContact CG-CE1 3.61Å; P156-F209 HydrophobicContact CG-CZ 3.7Å; P163-F209 HydrophobicContact CB-CD1 4.06Å; P163-F209 HydrophobicContact CB-CD2 4.35Å; P163-F209 HydrophobicContact CB-CE1 4.29Å; P163-F209 HydrophobicContact CB-CG 4.08Å; P163-F209 HydrophobicContact CG-CB 4.4Å; P163-F209 HydrophobicContact CG-CD1 4.1Å; P163-F209 HydrophobicContact CG-CG 4.24Å; P163-F209 WeakPolarHBondContact O-CB 3.29Å; L165-F209 HydrophobicContact CB-CD2 4.29Å; L165-F209 HydrophobicContact CB-CE2 4.28Å; L165-F209 HydrophobicContact CD1-CE2 4.49Å; F209-Y213 HydrophobicContact CD1-CD2 4.09Å; F209-Y213 AromaticContact CD1-CE2 3.82Å; F209-Y213 HydrophobicContact CD1-CE2 3.82Å; F209-Y213 HydrophobicContact CE1-CE2 4.26Å; F209-F217 HydrophobicContact CD1-CE2 4.45Å; F209-F217 AromaticContact CD1-CZ 3.86Å; F209-F217 HydrophobicContact CD1-CZ 3.86Å; F209-F217 HydrophobicContact CD2-CE1 4.49Å; F209-F217 HydrophobicContact CD2-CZ 4.13Å; F209-F217 AromaticContact CE1-CE2 3.87Å; F209-F217 HydrophobicContact CE1-CE2 3.87Å; F209-F217 AromaticContact CE1-CZ 3.52Å; F209-F217 HydrophobicContact CE1-CZ 3.52Å; F209-F217 HydrophobicContact CE2-CE1 4.14Å; F209-F217 AromaticContact CE2-CZ 3.83Å; F209-F217 HydrophobicContact CE2-CZ 3.83Å; F209-F217 HydrophobicContact CG-CZ 4.16Å; F209-F217 HydrophobicContact CZ-CE1 4.19Å; F209-F217 HydrophobicContact CZ-CE2 4.07Å; F209-F217 AromaticContact CZ-CZ 3.52Å; F209-F217 HydrophobicContact CZ-CZ 3.52Å; F209-F254 HydrophobicContact CE2-CB 4.02Å; F209-F254 HydrophobicContact CE2-CD2 4.38Å; F209-F254 HydrophobicContact CZ-CB 3.98Å; F209-F254 HydrophobicContact CZ-CD2 4.4Å; F209-F254 HydrophobicContact CZ-CG 4.33Å; F209-L258 HydrophobicContact CE2-CD1 4.45Å; F209-L258 HydrophobicContact CZ-CD1 4.03Å
210	T	90.2	Very high	94.5	Very high	3 Å²	3	3.9 Å²	3.9	2%	0.018	2%	0.02	C	C	.	.	S	Bend	trans	-130.3	-74.5	179.5	54.4	0	0	0	0	110.9	G53 K62 D63 S208 N212 Y213	G53-T210 PolarHBondContact N-O 2.81Å; K62-T210 WeakPolarHBondContact O-CG2 3.36Å; D63-T210 VanDerWaalsContact OD1-CB 3.32Å; D63-T210 WeakPolarHBondContact OD1-CB 3.44Å; D63-T210 WeakPolarHBondContact OD1-CG2 3.02Å; D63-T210 PolarHBondContact OD1-OG1 3.33Å; S208-T210 VanDerWaalsContact C-N 3.33Å; S208-T210 PolarHBondContact OG-N 2.59Å; S208-T210 VanDerWaalsContact OG-N 3.07Å; T210-N212 PolarHBondContact O-N 3.44Å; T210-Y213 PolarHBondContact O-N 2.8Å
211	E	88.6	Confident	94.6	Very high	9 Å²	9	3.9 Å²	3.9	4%	0.042	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-63.4	118.2	177.8	-68.4	78.6	-132.8	0	0	111.8	R46 I47 S50 S208 Y213	R46-E211 VanDerWaalsContact CD-OE1 3.28Å; R46-E211 WeakPolarHBondContact CD-OE1 3.32Å; R46-E211 HydrophobicContact CG-CG 3.95Å; R46-E211 VanDerWaalsContact CG-OE1 3.24Å; R46-E211 WeakPolarHBondContact CG-OE1 3.5Å; R46-E211 IonicContact CZ-OE1 2.73Å; R46-E211 IonicContact NE-OE1 2.79Å; R46-E211 PolarHBondContact NE-OE1 3.38Å; R46-E211 IonicContact NH2-OE1 3.38Å; I47-E211 HydrophobicContact CB-CB 4.32Å; I47-E211 HydrophobicContact CB-CG 4.11Å; S50-E211 VanDerWaalsContact OG-CB 3.25Å; S50-E211 WeakPolarHBondContact OG-CB 3.35Å; S50-E211 WeakPolarHBondContact OG-CG 3.45Å; S208-E211 PolarHBondContact OG-N 2.74Å; S208-E211 PolarHBondContact OG-O 2.61Å; E211-Y213 PolarHBondContact O-N 3.22Å; E211-Y213 VanDerWaalsContact O-N 3.12Å
212	N	90.6	Very high	94.8	Very high	28 Å²	28	4.4 Å²	4.4	15%	0.15	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	26.1	-178.5	-58.7	-40	0	0	0	114	I51 R119 L123 T210 A214	I51-N212 PolarHBondContact N-OD1 3.27Å; I51-N212 WeakPolarHBondContact O-CA 3.38Å; I51-N212 PolarHBondContact O-N 3.45Å; R119-N212 WeakPolarHBondContact CD-O 3.44Å; R119-N212 WeakPolarHBondContact CG-O 3.28Å; L123-N212 HydrophobicContact CD1-CB 3.96Å; T210-N212 PolarHBondContact O-N 3.44Å; N212-A214 PolarHBondContact O-N 3.14Å
213	Y	94.5	Very high	94.5	Very high	2 Å²	2	5 Å²	5	1%	0.008	2%	0.024	C	C	.	.			trans	-61.2	127.3	177	170.9	-100	0	0	0	111.6	G53 F57 L59 L123 L128 F209 T210 E211 F217 D234	G53-Y213 VanDerWaalsContact CA-O 3.25Å; G53-Y213 WeakPolarHBondContact CA-O 3.41Å; F57-Y213 HydrophobicContact CB-CE1 4.27Å; F57-Y213 AromaticContact CD2-CD1 3.91Å; F57-Y213 HydrophobicContact CD2-CD1 3.91Å; F57-Y213 HydrophobicContact CD2-CE1 4.08Å; F57-Y213 WeakPolarHBondContact CE2-O 3.49Å; F57-Y213 HydrophobicContact CG-CE1 4.47Å; L59-Y213 HydrophobicContact CB-CE1 4.12Å; L59-Y213 HydrophobicContact CD1-CE1 3.91Å; L59-Y213 VanDerWaalsContact CD1-OH 3.28Å; L59-Y213 WeakPolarHBondContact CD1-OH 3.46Å; L59-Y213 HydrophobicContact CD2-CD1 4.26Å; L59-Y213 HydrophobicContact CD2-CD2 4.47Å; L59-Y213 HydrophobicContact CD2-CE1 3.7Å; L59-Y213 HydrophobicContact CD2-CE2 3.92Å; L59-Y213 HydrophobicContact CG-CE1 4.09Å; L123-Y213 WeakPolarHBondContact CD2-O 3.43Å; L128-Y213 HydrophobicContact CD2-CD1 4.46Å; L128-Y213 HydrophobicContact CD2-CE1 3.56Å; F209-Y213 HydrophobicContact CD1-CD2 4.09Å; F209-Y213 AromaticContact CD1-CE2 3.82Å; F209-Y213 HydrophobicContact CD1-CE2 3.82Å; F209-Y213 HydrophobicContact CE1-CE2 4.26Å; T210-Y213 PolarHBondContact O-N 2.8Å; E211-Y213 PolarHBondContact O-N 3.22Å; E211-Y213 VanDerWaalsContact O-N 3.12Å; Y213-F217 HydrophobicContact CD2-CE2 4.46Å; Y213-F217 HydrophobicContact CD2-CZ 4.37Å; Y213-F217 HydrophobicContact CE2-CE2 4.17Å; Y213-F217 HydrophobicContact CE2-CZ 4.41Å; Y213-D234 VanDerWaalsContact CE2-OD2 3.26Å; Y213-D234 WeakPolarHBondContact CE2-OD2 3.39Å; Y213-D234 PolarHBondContact OH-OD2 2.9Å
214	A	96	Very high	94.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-141.8	27.8	175.4	0	0	0	0	0	112.5	F57 R119 C122 L123 F129 N212 I216	F57-A214 HydrophobicContact CE2-CB 4.37Å; R119-A214 HydrophobicContact CG-CB 4.24Å; C122-A214 HydrophobicContact CB-CB 3.71Å; L123-A214 HydrophobicContact CD2-CB 4.11Å; L123-A214 HydrophobicContact CG-CB 4.05Å; F129-A214 WeakPolarHBondContact CB-O 3.11Å; F129-A214 PolarHBondContact N-O 3.18Å; N212-A214 PolarHBondContact O-N 3.14Å; A214-I216 HydrophobicContact CB-CG2 3.99Å; A214-I216 PolarHBondContact O-N 3.23Å
215	G	96.9	Very high	94.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	65.5	24.6	-176.7	0	0	0	0	0	114.2	R155 D233 D234	R155-G215 PolarHBondContact NH1-O 3.35Å; G215-D233 CarbonylContact O-C 3.56Å; G215-D233 VanDerWaalsContact O-CA 3.24Å; G215-D233 WeakPolarHBondContact O-CA 3.41Å; G215-D234 PolarHBondContact O-N 3.38Å; G215-D234 VanDerWaalsContact O-N 3.09Å
216	I	98	Very high	94.1	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.031	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.4	-174.2	-171.9	173.1	0	0	0	109.9	F115 L118 R119 F129 A214 V231 V232	F115-I216 HydrophobicContact CD2-CD1 4.14Å; F115-I216 HydrophobicContact CD2-CG1 3.95Å; F115-I216 HydrophobicContact CE2-CG1 4.08Å; F115-I216 HydrophobicContact CE2-CG2 4.06Å; L118-I216 HydrophobicContact CB-CD1 3.6Å; R119-I216 HydrophobicContact CB-CG2 3.73Å; R119-I216 HydrophobicContact CG-CG2 3.83Å; F129-I216 HydrophobicContact CB-CB 3.71Å; F129-I216 HydrophobicContact CB-CD1 4.42Å; F129-I216 HydrophobicContact CB-CG1 4.33Å; F129-I216 HydrophobicContact CD1-CB 3.78Å; F129-I216 HydrophobicContact CD1-CD1 3.84Å; F129-I216 HydrophobicContact CD1-CG1 3.57Å; F129-I216 HydrophobicContact CD2-CD1 4.15Å; F129-I216 HydrophobicContact CE1-CD1 4.08Å; F129-I216 HydrophobicContact CE1-CG1 4Å; F129-I216 HydrophobicContact CE2-CD1 4.38Å; F129-I216 HydrophobicContact CG-CB 3.92Å; F129-I216 HydrophobicContact CG-CD1 3.88Å; F129-I216 HydrophobicContact CG-CG1 3.98Å; F129-I216 HydrophobicContact CZ-CD1 4.34Å; A214-I216 HydrophobicContact CB-CG2 3.99Å; A214-I216 PolarHBondContact O-N 3.23Å; I216-V231 HydrophobicContact CD1-CG1 3.59Å; I216-V231 HydrophobicContact CG1-CG1 3.61Å; I216-V232 WeakPolarHBondContact CA-O 3.4Å
217	F	98.3	Very high	94.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.1	-179.5	-69.8	-94.5	0	0	0	109.3	L165 Q207 F209 Y213 F219 V231 V232 D234 L258	L165-F217 HydrophobicContact CD1-CD1 4.13Å; L165-F217 HydrophobicContact CD1-CE1 3.99Å; Q207-F217 HydrophobicContact CB-CD1 4.22Å; Q207-F217 HydrophobicContact CG-CD1 3.97Å; Q207-F217 HydrophobicContact CG-CE1 4.46Å; Q207-F217 VanDerWaalsContact OE1-CA 3.25Å; Q207-F217 VanDerWaalsContact OE1-CB 3.23Å; Q207-F217 VanDerWaalsContact OE1-CD1 3.24Å; F209-F217 HydrophobicContact CD1-CE2 4.45Å; F209-F217 AromaticContact CD1-CZ 3.86Å; F209-F217 HydrophobicContact CD1-CZ 3.86Å; F209-F217 HydrophobicContact CD2-CE1 4.49Å; F209-F217 HydrophobicContact CD2-CZ 4.13Å; F209-F217 AromaticContact CE1-CE2 3.87Å; F209-F217 HydrophobicContact CE1-CE2 3.87Å; F209-F217 AromaticContact CE1-CZ 3.52Å; F209-F217 HydrophobicContact CE1-CZ 3.52Å; F209-F217 HydrophobicContact CE2-CE1 4.14Å; F209-F217 AromaticContact CE2-CZ 3.83Å; F209-F217 HydrophobicContact CE2-CZ 3.83Å; F209-F217 HydrophobicContact CG-CZ 4.16Å; F209-F217 HydrophobicContact CZ-CE1 4.19Å; F209-F217 HydrophobicContact CZ-CE2 4.07Å; F209-F217 AromaticContact CZ-CZ 3.52Å; F209-F217 HydrophobicContact CZ-CZ 3.52Å; Y213-F217 HydrophobicContact CD2-CE2 4.46Å; Y213-F217 HydrophobicContact CD2-CZ 4.37Å; Y213-F217 HydrophobicContact CE2-CE2 4.17Å; Y213-F217 HydrophobicContact CE2-CZ 4.41Å; F217-F219 HydrophobicContact CB-CE2 4.13Å; F217-V231 CarbonylContact O-C 3.57Å; F217-V231 WeakPolarHBondContact O-CA 3.49Å; F217-V232 HydrophobicContact CB-CG2 4.26Å; F217-V232 PolarHBondContact N-O 2.9Å; F217-V232 PolarHBondContact O-N 2.91Å; F217-D234 HydrophobicContact CD2-CB 3.73Å; F217-D234 HydrophobicContact CE2-CB 3.54Å; F217-L258 HydrophobicContact CB-CD1 4.47Å; F217-L258 HydrophobicContact CD1-CD1 3.73Å; F217-L258 HydrophobicContact CD2-CD1 4.01Å; F217-L258 HydrophobicContact CD2-CD2 4.28Å; F217-L258 HydrophobicContact CE1-CD1 3.93Å; F217-L258 HydrophobicContact CE2-CD1 4.2Å; F217-L258 HydrophobicContact CG-CD1 3.8Å; F217-L258 HydrophobicContact CG-CD2 4.48Å; F217-L258 HydrophobicContact CZ-CD1 4.17Å
218	H	98.1	Very high	94.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149	177.6	75.1	144.9	0	0	0	113	F115 P204 D206 Q207 D229 V230 V231	F115-H218 HydrophobicContact CB-CB 4.05Å; F115-H218 AromaticContact CD1-CD2 3.75Å; F115-H218 AromaticContact CD1-CE1 3.63Å; F115-H218 AromaticContact CD1-CG 3.84Å; F115-H218 AromaticContact CD1-ND1 3.77Å; F115-H218 AromaticContact CD1-NE2 3.62Å; F115-H218 HydrophobicContact CD2-CB 3.79Å; F115-H218 AromaticContact CD2-CG 3.83Å; F115-H218 AromaticContact CE1-CD2 3.73Å; F115-H218 AromaticContact CE1-NE2 3.61Å; F115-H218 HydrophobicContact CE2-CB 4.41Å; F115-H218 HydrophobicContact CG-CB 3.91Å; F115-H218 AromaticContact CG-CD2 3.88Å; F115-H218 AromaticContact CG-CG 3.59Å; F115-H218 AromaticContact CG-ND1 3.74Å; F115-H218 AromaticContact CZ-CD2 3.87Å; P204-H218 VanDerWaalsContact CB-NE2 3.31Å; P204-H218 WeakPolarHBondContact CB-NE2 3.44Å; D206-H218 IonicContact OD1-NE2 2.81Å; Q207-H218 PolarHBondContact NE2-O 2.91Å; Q207-H218 PolarHBondContact OE1-O 3.48Å; H218-D229 IonicContact CE1-OD2 2.71Å; H218-D229 IonicContact CG-OD1 3.17Å; H218-D229 IonicContact CG-OD2 2.68Å; H218-D229 VanDerWaalsContact ND1-CG 3.32Å; H218-D229 IonicContact ND1-OD1 3.26Å; H218-D229 PolarHBondContact ND1-OD1 3.46Å; H218-D229 IonicContact ND1-OD2 3.36Å; H218-D229 PolarHBondContact ND1-OD2 3.36Å; H218-V230 VanDerWaalsContact CA-O 3.29Å; H218-V230 WeakPolarHBondContact CA-O 3.4Å; H218-V231 HydrophobicContact CB-CG2 4.34Å
219	F	98.5	Very high	94.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.8	-177.1	-63.2	-95.7	0	0	0	109.7	V202 V203 F217 F221 V230 V232 L258 L259 A262	V202-F219 CarbonylContact O-C 3.55Å; V202-F219 WeakPolarHBondContact O-CA 3.28Å; V203-F219 HydrophobicContact CB-CD1 4.44Å; V203-F219 HydrophobicContact CB-CE1 4.38Å; V203-F219 HydrophobicContact CG1-CD1 4.3Å; V203-F219 HydrophobicContact CG1-CE1 3.82Å; V203-F219 HydrophobicContact CG2-CD1 4.02Å; V203-F219 HydrophobicContact CG2-CE1 4.03Å; F217-F219 HydrophobicContact CB-CE2 4.13Å; F219-F221 HydrophobicContact CB-CE2 3.81Å; F219-F221 HydrophobicContact CB-CZ 3.75Å; F219-V230 PolarHBondContact N-O 3.08Å; F219-V230 PolarHBondContact O-N 3.32Å; F219-V232 HydrophobicContact CD2-CG2 4.39Å; F219-V232 HydrophobicContact CE2-CG2 4.28Å; F219-L258 HydrophobicContact CE2-CB 3.69Å; F219-L258 WeakPolarHBondContact CE2-O 3.24Å; F219-L258 VanDerWaalsContact CZ-C 3.46Å; F219-L258 HydrophobicContact CZ-CB 3.42Å; F219-L258 VanDerWaalsContact CZ-CB 3.42Å; F219-L259 HydrophobicContact CB-CD1 4.46Å; F219-L259 HydrophobicContact CD1-CB 3.99Å; F219-L259 HydrophobicContact CD1-CD1 3.53Å; F219-L259 HydrophobicContact CD1-CG 4.4Å; F219-L259 HydrophobicContact CE1-CB 3.73Å; F219-L259 HydrophobicContact CE1-CD1 4.12Å; F219-L259 HydrophobicContact CG-CD1 4.24Å; F219-L259 HydrophobicContact CZ-CB 4.41Å; F219-A262 HydrophobicContact CB-CB 3.74Å; F219-A262 HydrophobicContact CD2-CB 3.36Å; F219-A262 HydrophobicContact CE2-CB 4.23Å; F219-A262 HydrophobicContact CG-CB 3.75Å
220	Q	97.4	Very high	94.8	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.2	-174.5	-53.6	-175.2	-8.8	0	0	110.3	V86 R201 V202 P204 W227 V228	V86-Q220 HydrophobicContact CG2-CG 4.27Å; R201-Q220 WeakPolarHBondContact O-CB 3.42Å; R201-Q220 PolarHBondContact O-OE1 3.45Å; V202-Q220 WeakPolarHBondContact CA-O 3.46Å; V202-Q220 PolarHBondContact O-N 3.32Å; P204-Q220 HydrophobicContact CG-CG 4.07Å; Q220-W227 HydrophobicContact CB-CE3 4.16Å; Q220-V228 VanDerWaalsContact CA-O 3.3Å; Q220-V228 WeakPolarHBondContact CA-O 3.45Å
221	F	97.7	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.7	178.5	-55.7	-70.1	0	0	0	110.1	V202 F219 W227 V228 V230 L259 A262 Y263 L266 D284 F285	V202-F221 HydrophobicContact CG1-CD1 4.16Å; V202-F221 HydrophobicContact CG1-CE1 3.82Å; F219-F221 HydrophobicContact CB-CE2 3.81Å; F219-F221 HydrophobicContact CB-CZ 3.75Å; F221-W227 VanDerWaalsContact C-CE3 3.46Å; F221-W227 CarbonylContact O-C 3.6Å; F221-W227 WeakPolarHBondContact O-CA 3.44Å; F221-V228 PolarHBondContact N-O 2.93Å; F221-V228 PolarHBondContact O-N 3.17Å; F221-V230 HydrophobicContact CD2-CB 4.31Å; F221-V230 HydrophobicContact CD2-CG2 3.68Å; F221-V230 HydrophobicContact CE2-CB 4.17Å; F221-V230 HydrophobicContact CE2-CG2 3.99Å; F221-L259 HydrophobicContact CE1-CD1 3.69Å; F221-L259 HydrophobicContact CZ-CD1 3.77Å; F221-A262 HydrophobicContact CE2-CB 3.93Å; F221-A262 HydrophobicContact CZ-CB 4.15Å; F221-Y263 AromaticContact CD1-CD2 3.84Å; F221-Y263 HydrophobicContact CD1-CD2 3.84Å; F221-Y263 HydrophobicContact CD1-CE2 4.26Å; F221-Y263 AromaticContact CE1-CD2 3.65Å; F221-Y263 HydrophobicContact CE1-CD2 3.65Å; F221-Y263 HydrophobicContact CE1-CE2 4.44Å; F221-Y263 HydrophobicContact CE1-CG 4.5Å; F221-Y263 HydrophobicContact CE2-CD2 4.33Å; F221-Y263 HydrophobicContact CG-CD2 4.27Å; F221-Y263 AromaticContact CZ-CD2 3.89Å; F221-Y263 HydrophobicContact CZ-CD2 3.89Å; F221-Y263 HydrophobicContact CZ-CG 4.46Å; F221-L266 HydrophobicContact CB-CD2 3.87Å; F221-L266 HydrophobicContact CD2-CD2 3.89Å; F221-L266 HydrophobicContact CG-CD2 3.91Å; F221-D284 CarbonylContact C-O 3.57Å; F221-D284 WeakPolarHBondContact CA-O 3.47Å; F221-F285 AromaticContact CD1-CD1 3.82Å; F221-F285 HydrophobicContact CD1-CD1 3.82Å; F221-F285 AromaticContact CD1-CE1 3.79Å; F221-F285 HydrophobicContact CD1-CE1 3.79Å; F221-F285 AromaticContact CE1-CD1 3.98Å; F221-F285 HydrophobicContact CE1-CD1 3.98Å; F221-F285 AromaticContact CE1-CE1 3.53Å; F221-F285 HydrophobicContact CE1-CE1 3.53Å
222	W	95.9	Very high	95.7	Very high	15 Å²	15	12.4 Å²	12.4	6%	0.057	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.6	166	-174.6	94.9	0	0	0	109.5	G225 K226 W227 D284 G287 L490 M567	W222-G225 VanDerWaalsContact CE2-N 3.26Å; W222-K226 CarbonylContact C-O 3.5Å; W222-W227 HydrophobicContact CB-CD2 4.22Å; W222-W227 HydrophobicContact CB-CE3 4.3Å; W222-W227 HydrophobicContact CB-CH2 4.29Å; W222-W227 HydrophobicContact CB-CZ2 4.21Å; W222-W227 HydrophobicContact CB-CZ3 4.33Å; W222-W227 AromaticContact CD1-NE1 4Å; W222-D284 PolarHBondContact N-O 2.74Å; W222-G287 VanDerWaalsContact CD1-CA 3.45Å; W222-L490 HydrophobicContact CZ3-CD1 4.49Å; W222-M567 HydrophobicContact CH2-SD 3.78Å; W222-M567 HydrophobicContact CZ2-SD 4.08Å
223	R	91.9	Very high	96	Very high	12 Å²	12	11 Å²	11	5%	0.045	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	93.4	-171.5	-109.3	-71.5	-136.7	-162.1	-13.5	108.9	G225 K226 V228 L266 E496	R223-G225 VanDerWaalsContact C-N 3.33Å; R223-G225 PolarHBondContact O-N 2.93Å; R223-K226 WeakPolarHBondContact CA-O 3.24Å; R223-K226 PolarHBondContact N-O 3.35Å; R223-K226 VanDerWaalsContact O-CG 3.24Å; R223-K226 WeakPolarHBondContact O-CG 3.34Å; R223-K226 PolarHBondContact O-N 3.44Å; R223-V228 HydrophobicContact CB-CG1 4.1Å; R223-V228 HydrophobicContact CB-CG2 3.97Å; R223-V228 HydrophobicContact CG-CG2 3.86Å; R223-L266 HydrophobicContact CG-CD1 3.99Å; R223-L266 PolarHBondContact NH2-O 3.13Å; R223-E496 IonicContact CZ-OE1 3.52Å; R223-E496 IonicContact NH1-OE1 3.08Å; R223-E496 PolarHBondContact NH1-OE1 2.79Å; R223-E496 IonicContact NH1-OE2 2.69Å; R223-E496 IonicContact NH2-OE1 3.77Å; R223-E496 PolarHBondContact NH2-OE1 2.82Å
224	Y	90.5	Very high	96.2	Very high	18 Å²	18	11 Å²	11	7%	0.071	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	52.5	171.9	-46.7	-40.1	0	0	0	112.8	L490 K492 Y493 M567	Y224-L490 HydrophobicContact CD1-CD2 3.53Å; Y224-L490 HydrophobicContact CE1-CD2 3.62Å; Y224-K492 HydrophobicContact CD1-CB 4.42Å; Y224-K492 HydrophobicContact CD1-CD 4.49Å; Y224-K492 HydrophobicContact CD1-CG 3.95Å; Y224-K492 HydrophobicContact CD2-CB 3.98Å; Y224-K492 HydrophobicContact CD2-CD 3.94Å; Y224-K492 HydrophobicContact CD2-CG 3.98Å; Y224-K492 HydrophobicContact CE1-CB 4.27Å; Y224-K492 HydrophobicContact CE1-CG 4.24Å; Y224-K492 HydrophobicContact CE2-CB 3.73Å; Y224-K492 HydrophobicContact CE2-CG 4.18Å; Y224-K492 HydrophobicContact CG-CB 4.31Å; Y224-K492 HydrophobicContact CG-CD 3.91Å; Y224-K492 HydrophobicContact CG-CG 3.84Å; Y224-Y493 HydrophobicContact CD2-CD1 4.24Å; Y224-Y493 AromaticContact CD2-CE1 3.63Å; Y224-Y493 HydrophobicContact CD2-CE1 3.63Å; Y224-Y493 HydrophobicContact CD2-CE2 4.28Å; Y224-Y493 AromaticContact CD2-CZ 3.64Å; Y224-Y493 AromaticContact CE2-CD1 3.51Å; Y224-Y493 HydrophobicContact CE2-CD1 3.51Å; Y224-Y493 HydrophobicContact CE2-CD2 4.37Å; Y224-Y493 AromaticContact CE2-CE1 3.37Å; Y224-Y493 HydrophobicContact CE2-CE1 3.37Å; Y224-Y493 HydrophobicContact CE2-CE2 4.26Å; Y224-Y493 HydrophobicContact CE2-CG 4Å; Y224-Y493 AromaticContact CE2-CZ 3.76Å; Y224-Y493 PolarHBondContact OH-N 2.87Å; Y224-M567 WeakPolarHBondContact O-CE 3.22Å
225	G	90.7	Very high	96.3	Very high	40 Å²	40	12.8 Å²	12.8	41%	0.412	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	-0.8	174.2	0	0	0	0	0	114.9	W222 R223	W222-G225 VanDerWaalsContact CE2-N 3.26Å; R223-G225 VanDerWaalsContact C-N 3.33Å; R223-G225 PolarHBondContact O-N 2.93Å
226	K	92.2	Very high	96.4	Very high	94 Å²	94	12.9 Å²	12.9	41%	0.409	7%	0.066	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.3	178.7	59	177.5	-172.2	171.7	0	112.7	E87 W222 R223 V228	E87-K226 VanDerWaalsContact OE2-CD 3.31Å; E87-K226 WeakPolarHBondContact OE2-CD 3.49Å; E87-K226 IonicContact OE2-NZ 3.26Å; E87-K226 PolarHBondContact OE2-NZ 2.94Å; W222-K226 CarbonylContact C-O 3.5Å; R223-K226 WeakPolarHBondContact CA-O 3.24Å; R223-K226 PolarHBondContact N-O 3.35Å; R223-K226 VanDerWaalsContact O-CG 3.24Å; R223-K226 WeakPolarHBondContact O-CG 3.34Å; R223-K226 PolarHBondContact O-N 3.44Å; K226-V228 HydrophobicContact CG-CG1 4.39Å
227	W	95	Very high	96.4	Very high	21 Å²	21	12.8 Å²	12.8	8%	0.08	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.8	170.8	-70.8	91.5	0	0	0	110.3	V86 E87 R201 V202 Q220 F221 W222 F285	V86-W227 HydrophobicContact CB-CB 4.37Å; V86-W227 HydrophobicContact CG2-CB 4.09Å; E87-W227 PolarHBondContact N-O 2.88Å; R201-W227 HydrophobicContact CG-CE3 4.34Å; R201-W227 HydrophobicContact CG-CH2 3.47Å; R201-W227 VanDerWaalsContact CG-CH2 3.47Å; R201-W227 HydrophobicContact CG-CZ2 3.8Å; R201-W227 HydrophobicContact CG-CZ3 3.78Å; V202-W227 HydrophobicContact CG2-CZ3 4.33Å; Q220-W227 HydrophobicContact CB-CE3 4.16Å; F221-W227 VanDerWaalsContact C-CE3 3.46Å; F221-W227 CarbonylContact O-C 3.6Å; F221-W227 WeakPolarHBondContact O-CA 3.44Å; W222-W227 HydrophobicContact CB-CD2 4.22Å; W222-W227 HydrophobicContact CB-CE3 4.3Å; W222-W227 HydrophobicContact CB-CH2 4.29Å; W222-W227 HydrophobicContact CB-CZ2 4.21Å; W222-W227 HydrophobicContact CB-CZ3 4.33Å; W222-W227 AromaticContact CD1-NE1 4Å; W227-F285 WeakPolarHBondContact CH2-O 3.46Å
228	V	95.5	Very high	96.4	Very high	6 Å²	6	12.9 Å²	12.9	4%	0.036	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.2	175.9	-60	0	0	0	0	111.1	E87 F89 Q220 F221 R223 K226 V230 L266	E87-V228 CarbonylContact O-C 3.58Å; E87-V228 WeakPolarHBondContact O-CA 3.42Å; F89-V228 HydrophobicContact CB-CB 4.21Å; F89-V228 HydrophobicContact CB-CG2 4.39Å; F89-V228 HydrophobicContact CD2-CB 4.49Å; F89-V228 HydrophobicContact CD2-CG2 4.14Å; Q220-V228 VanDerWaalsContact CA-O 3.3Å; Q220-V228 WeakPolarHBondContact CA-O 3.45Å; F221-V228 PolarHBondContact N-O 2.93Å; F221-V228 PolarHBondContact O-N 3.17Å; R223-V228 HydrophobicContact CB-CG1 4.1Å; R223-V228 HydrophobicContact CB-CG2 3.97Å; R223-V228 HydrophobicContact CG-CG2 3.86Å; K226-V228 HydrophobicContact CG-CG1 4.39Å; V228-V230 HydrophobicContact CG2-CG2 4.43Å; V228-L266 HydrophobicContact CG2-CD1 4Å
229	D	97	Very high	96.2	Very high	14 Å²	14	13.4 Å²	13.4	8%	0.075	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.8	179.6	-159.3	16.5	0	0	0	110.1	V86 E87 F89 H218	V86-D229 HydrophobicContact CG2-CB 3.72Å; E87-D229 PolarHBondContact O-N 3.44Å; F89-D229 WeakPolarHBondContact CB-O 3.19Å; F89-D229 PolarHBondContact N-O 3.26Å; H218-D229 IonicContact CE1-OD2 2.71Å; H218-D229 IonicContact CG-OD1 3.17Å; H218-D229 IonicContact CG-OD2 2.68Å; H218-D229 VanDerWaalsContact ND1-CG 3.32Å; H218-D229 IonicContact ND1-OD1 3.26Å; H218-D229 PolarHBondContact ND1-OD1 3.46Å; H218-D229 IonicContact ND1-OD2 3.36Å; H218-D229 PolarHBondContact ND1-OD2 3.36Å
230	V	97.8	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.6	-177.7	-175.3	0	0	0	0	109.2	F89 H218 F219 F221 V228 V232 A262 K265 L266	F89-V230 HydrophobicContact CB-CB 4.39Å; F89-V230 HydrophobicContact CB-CG2 3.73Å; F89-V230 HydrophobicContact CD1-CG1 4.18Å; F89-V230 HydrophobicContact CD1-CG2 4.02Å; F89-V230 HydrophobicContact CD2-CG2 4.42Å; F89-V230 HydrophobicContact CG-CG2 3.8Å; H218-V230 VanDerWaalsContact CA-O 3.29Å; H218-V230 WeakPolarHBondContact CA-O 3.4Å; F219-V230 PolarHBondContact N-O 3.08Å; F219-V230 PolarHBondContact O-N 3.32Å; F221-V230 HydrophobicContact CD2-CB 4.31Å; F221-V230 HydrophobicContact CD2-CG2 3.68Å; F221-V230 HydrophobicContact CE2-CB 4.17Å; F221-V230 HydrophobicContact CE2-CG2 3.99Å; V228-V230 HydrophobicContact CG2-CG2 4.43Å; V230-V232 HydrophobicContact CG1-CG1 4.38Å; V230-A262 HydrophobicContact CB-CB 4.34Å; V230-A262 HydrophobicContact CG1-CB 4.09Å; V230-A262 WeakPolarHBondContact CG1-O 3.49Å; V230-K265 HydrophobicContact CG1-CB 4.17Å; V230-K265 HydrophobicContact CG1-CD 3.74Å; V230-K265 HydrophobicContact CG1-CG 4.01Å; V230-L266 HydrophobicContact CG2-CB 4.44Å; V230-L266 HydrophobicContact CG2-CD1 3.99Å
231	V	98.1	Very high	95.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.3	174.8	-178	0	0	0	0	110	Q113 F115 L118 F129 I216 F217 H218 K265	Q113-V231 HydrophobicContact CB-CB 4Å; Q113-V231 HydrophobicContact CB-CG2 3.99Å; Q113-V231 WeakPolarHBondContact O-CG2 3.36Å; F115-V231 HydrophobicContact CB-CG2 3.92Å; L118-V231 HydrophobicContact CD1-CG1 4.45Å; F129-V231 HydrophobicContact CE1-CG1 3.97Å; F129-V231 HydrophobicContact CZ-CG1 4.23Å; I216-V231 HydrophobicContact CD1-CG1 3.59Å; I216-V231 HydrophobicContact CG1-CG1 3.61Å; F217-V231 CarbonylContact O-C 3.57Å; F217-V231 WeakPolarHBondContact O-CA 3.49Å; H218-V231 HydrophobicContact CB-CG2 4.34Å; V231-K265 WeakPolarHBondContact O-CD 3.29Å; V231-K265 PolarHBondContact O-NZ 2.79Å
232	V	98.4	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.5	174.2	-70.6	0	0	0	0	111.1	I216 F217 F219 V230 K261 A262 K265	I216-V232 WeakPolarHBondContact CA-O 3.4Å; F217-V232 HydrophobicContact CB-CG2 4.26Å; F217-V232 PolarHBondContact N-O 2.9Å; F217-V232 PolarHBondContact O-N 2.91Å; F219-V232 HydrophobicContact CD2-CG2 4.39Å; F219-V232 HydrophobicContact CE2-CG2 4.28Å; V230-V232 HydrophobicContact CG1-CG1 4.38Å; V232-K261 HydrophobicContact CB-CD 4.34Å; V232-K261 HydrophobicContact CG1-CG 4.35Å; V232-A262 HydrophobicContact CG1-CB 4.05Å; V232-A262 HydrophobicContact CG2-CB 4.29Å; V232-K265 HydrophobicContact CG1-CB 4.28Å; V232-K265 HydrophobicContact CG1-CD 3.78Å
233	D	98.5	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	166.4	162.3	76.4	46.2	0	0	0	111.6	F129 D131 G215 R235 K261	F129-D233 HydrophobicContact CD1-CB 3.78Å; F129-D233 HydrophobicContact CE1-CB 4.33Å; F129-D233 WeakPolarHBondContact O-CB 3.47Å; D131-D233 HydrophobicContact CB-CB 4.21Å; D131-D233 PolarHBondContact N-OD2 2.86Å; G215-D233 CarbonylContact O-C 3.56Å; G215-D233 VanDerWaalsContact O-CA 3.24Å; G215-D233 WeakPolarHBondContact O-CA 3.41Å; D233-R235 VanDerWaalsContact OD1-CB 3.3Å; D233-R235 WeakPolarHBondContact OD1-CB 3.45Å; D233-R235 PolarHBondContact OD1-N 3Å; D233-R235 IonicContact OD1-NE 3.49Å; D233-R235 PolarHBondContact OD1-NE 3.12Å; D233-R235 IonicContact OD2-CZ 3.66Å; D233-R235 IonicContact OD2-NE 3.63Å; D233-R235 PolarHBondContact OD2-NE 2.84Å; D233-R235 IonicContact OD2-NH2 3.74Å; D233-R235 PolarHBondContact OD2-NH2 3.31Å; D233-K261 WeakPolarHBondContact O-CE 2.96Å; D233-K261 PolarHBondContact O-NZ 3.15Å; D233-K261 IonicContact OD1-NZ 2.64Å; D233-K261 PolarHBondContact OD1-NZ 2.9Å
234	D	98.1	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-90.7	8.7	-177.1	73.9	-6	0	0	0	115.2	R155 P156 Y213 G215 F217 L236 L258	R155-D234 WeakPolarHBondContact CD-OD1 3.45Å; R155-D234 WeakPolarHBondContact CG-OD1 3.49Å; R155-D234 IonicContact CZ-OD1 3.39Å; R155-D234 IonicContact NE-OD1 2.76Å; R155-D234 IonicContact NH1-OD1 3.41Å; R155-D234 PolarHBondContact NH1-OD1 3.18Å; P156-D234 WeakPolarHBondContact CD-O 3.39Å; Y213-D234 VanDerWaalsContact CE2-OD2 3.26Å; Y213-D234 WeakPolarHBondContact CE2-OD2 3.39Å; Y213-D234 PolarHBondContact OH-OD2 2.9Å; G215-D234 PolarHBondContact O-N 3.38Å; G215-D234 VanDerWaalsContact O-N 3.09Å; F217-D234 HydrophobicContact CD2-CB 3.73Å; F217-D234 HydrophobicContact CE2-CB 3.54Å; D234-L236 PolarHBondContact O-N 3.46Å; D234-L258 HydrophobicContact CB-CD2 4.22Å
235	R	98.4	Very high	95.9	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.147	16%	0.159	C	C	.	.			trans	-71.8	123.3	175.3	-65.6	177.7	-72.8	-167.7	1.4	109.3	E130 A136 W153 R155 D233 K261	E130-R235 VanDerWaalsContact CB-NH2 3.34Å; E130-R235 IonicContact OE1-NH1 2.65Å; E130-R235 PolarHBondContact OE1-NH1 2.72Å; E130-R235 IonicContact OE2-CZ 3.9Å; E130-R235 IonicContact OE2-NH1 3.14Å; E130-R235 PolarHBondContact OE2-NH1 2.75Å; E130-R235 IonicContact OE2-NH2 2.9Å; E130-R235 PolarHBondContact OE2-NH2 2.93Å; A136-R235 HydrophobicContact CB-CB 3.89Å; A136-R235 HydrophobicContact CB-CG 4.41Å; A136-R235 VanDerWaalsContact CB-CZ 3.5Å; A136-R235 VanDerWaalsContact CB-NE 3.26Å; W153-R235 HydrophobicContact CB-CB 4.37Å; W153-R235 HydrophobicContact CE3-CB 4.17Å; W153-R235 VanDerWaalsContact CZ3-O 3.25Å; W153-R235 WeakPolarHBondContact CZ3-O 3.37Å; R155-R235 HydrophobicContact CG-CG 3.75Å; D233-R235 VanDerWaalsContact OD1-CB 3.3Å; D233-R235 WeakPolarHBondContact OD1-CB 3.45Å; D233-R235 PolarHBondContact OD1-N 3Å; D233-R235 IonicContact OD1-NE 3.49Å; D233-R235 PolarHBondContact OD1-NE 3.12Å; D233-R235 IonicContact OD2-CZ 3.66Å; D233-R235 IonicContact OD2-NE 3.63Å; D233-R235 PolarHBondContact OD2-NE 2.84Å; D233-R235 IonicContact OD2-NH2 3.74Å; D233-R235 PolarHBondContact OD2-NH2 3.31Å; R235-K261 PolarHBondContact O-NZ 2.9Å
236	L	98.6	Very high	96.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.2	-177.6	-68	167.1	0	0	0	111.6	W153 R154 P156 D234 V238 L243 F254 A257 L258 K261	W153-L236 WeakPolarHBondContact CA-O 3.19Å; R154-L236 PolarHBondContact N-O 3.25Å; R154-L236 PolarHBondContact O-N 2.83Å; P156-L236 HydrophobicContact CG-CD1 4.22Å; D234-L236 PolarHBondContact O-N 3.46Å; L236-V238 PolarHBondContact O-N 2.69Å; L236-L243 HydrophobicContact CB-CD2 3.63Å; L236-L243 HydrophobicContact CD1-CD2 3.76Å; L236-L243 HydrophobicContact CG-CD2 4.3Å; L236-F254 HydrophobicContact CD1-CD1 3.7Å; L236-F254 HydrophobicContact CD1-CE1 4.32Å; L236-A257 HydrophobicContact CD1-CB 3.8Å; L236-A257 HydrophobicContact CD2-CB 4.1Å; L236-L258 HydrophobicContact CD1-CD2 4.46Å; L236-L258 HydrophobicContact CD2-CD2 4.19Å; L236-L258 HydrophobicContact CG-CD2 4.46Å; L236-K261 HydrophobicContact CD2-CB 4.3Å; L236-K261 HydrophobicContact CD2-CD 4.17Å
237	P	97.8	Very high	96.3	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126	173	-24.2	36.9	0	0	0	112	L141 I151 E152 W153 A244 Y245 Y270	L141-P237 HydrophobicContact CD2-CB 4.2Å; L141-P237 HydrophobicContact CD2-CG 3.86Å; I151-P237 HydrophobicContact CG2-CB 3.71Å; E152-P237 CarbonylContact O-C 3.59Å; W153-P237 HydrophobicContact CE3-CG 4.14Å; W153-P237 HydrophobicContact CH2-CG 3.91Å; W153-P237 HydrophobicContact CZ2-CG 4.3Å; W153-P237 HydrophobicContact CZ3-CG 3.8Å; P237-A244 HydrophobicContact CB-CB 4.03Å; P237-A244 WeakPolarHBondContact O-CB 3.47Å; P237-A244 PolarHBondContact O-N 3.43Å; P237-Y245 HydrophobicContact CB-CD2 3.95Å; P237-Y245 HydrophobicContact CB-CE2 3.8Å; P237-Y245 HydrophobicContact CG-CD2 3.85Å; P237-Y245 HydrophobicContact CG-CE2 3.75Å; P237-Y270 WeakPolarHBondContact CD-OH 3.24Å; P237-Y270 HydrophobicContact CG-CD2 4.37Å; P237-Y270 HydrophobicContact CG-CE2 3.73Å
238	V	97.6	Very high	96.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.8	-176.7	169.9	0	0	0	0	110.4	E152 R154 I159 L236 K242 L243	E152-V238 PolarHBondContact N-O 3.49Å; E152-V238 PolarHBondContact O-N 3.43Å; R154-V238 HydrophobicContact CB-CG2 4.09Å; R154-V238 HydrophobicContact CG-CB 4.47Å; R154-V238 HydrophobicContact CG-CG2 4.43Å; I159-V238 HydrophobicContact CD1-CG2 3.66Å; I159-V238 HydrophobicContact CG1-CG2 4.23Å; L236-V238 PolarHBondContact O-N 2.69Å; V238-K242 CarbonylContact C-O 3.59Å; V238-K242 WeakPolarHBondContact CA-O 3.26Å; V238-K242 WeakPolarHBondContact CG1-O 3.48Å; V238-L243 HydrophobicContact CG2-CD2 4.36Å
239	I	95.5	Very high	96	Very high	11 Å²	11	31 Å²	31	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.7	173.7	-64.1	171.7	0	0	0	107.9	R149 I151 E179 G241 K242 A244	R149-I239 HydrophobicContact CB-CD1 4.31Å; R149-I239 HydrophobicContact CB-CG2 4.43Å; R149-I239 VanDerWaalsContact NE-CG2 3.34Å; I151-I239 HydrophobicContact CD1-CD1 4.3Å; I151-I239 HydrophobicContact CG1-CD1 3.95Å; I151-I239 HydrophobicContact CG1-CG1 3.87Å; E179-I239 WeakPolarHBondContact OE2-CD1 3.41Å; I239-G241 PolarHBondContact O-N 3.03Å; I239-G241 VanDerWaalsContact O-N 3.12Å; I239-K242 PolarHBondContact N-O 3.27Å; I239-K242 PolarHBondContact O-N 3.42Å; I239-A244 HydrophobicContact CD1-CB 3.69Å; I239-A244 HydrophobicContact CG1-CB 3.82Å
240	D	92.4	Very high	95.7	Very high	137 Å²	137	32 Å²	32	73%	0.733	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	38.4	-179.3	-62	-16.8	0	0	0	113.9	R149 K242	R149-D240 IonicContact CZ-OD2 3.53Å; R149-D240 IonicContact NH2-OD2 4Å; R149-D240 PolarHBondContact NH2-OD2 3.47Å; D240-K242 VanDerWaalsContact C-N 3.32Å; D240-K242 PolarHBondContact O-N 3.43Å
241	G	91.1	Very high	95.5	Very high	37 Å²	37	38 Å²	38	38%	0.381	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	4.9	178.1	0	0	0	0	0	115.5	I239	I239-G241 PolarHBondContact O-N 3.03Å; I239-G241 VanDerWaalsContact O-N 3.12Å
242	K	94.1	Very high	95.3	Very high	156 Å²	156	39.4 Å²	39.4	68%	0.678	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.7	176.2	-60.7	-175.7	179.1	-173	0	111.5	V238 I239 D240 A244	V238-K242 CarbonylContact C-O 3.59Å; V238-K242 WeakPolarHBondContact CA-O 3.26Å; V238-K242 WeakPolarHBondContact CG1-O 3.48Å; I239-K242 PolarHBondContact N-O 3.27Å; I239-K242 PolarHBondContact O-N 3.42Å; D240-K242 VanDerWaalsContact C-N 3.32Å; D240-K242 PolarHBondContact O-N 3.43Å; K242-A244 PolarHBondContact O-N 3.17Å
243	L	97	Very high	95.1	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	133.4	172.3	-69.5	173.9	0	0	0	110	I159 L236 V238 H247 F254 A257	I159-L243 HydrophobicContact CD1-CD2 3.96Å; L236-L243 HydrophobicContact CB-CD2 3.63Å; L236-L243 HydrophobicContact CD1-CD2 3.76Å; L236-L243 HydrophobicContact CG-CD2 4.3Å; V238-L243 HydrophobicContact CG2-CD2 4.36Å; L243-H247 HydrophobicContact CB-CB 4.05Å; L243-H247 HydrophobicContact CD1-CB 3.63Å; L243-H247 HydrophobicContact CG-CB 4.49Å; L243-F254 HydrophobicContact CD1-CD1 4.09Å; L243-F254 HydrophobicContact CD1-CE1 3.93Å; L243-F254 HydrophobicContact CD2-CE1 4.42Å; L243-F254 HydrophobicContact CG-CE1 4.46Å; L243-A257 HydrophobicContact CD1-CB 3.98Å
244	A	95.3	Very high	95.1	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	21%	0.208	C	C	.	.	S	Bend	trans	-79.3	-28	-175.4	0	0	0	0	0	112.8	G178 E179 P237 I239 K242	G178-A244 WeakPolarHBondContact CA-O 3.4Å; E179-A244 PolarHBondContact N-O 3.28Å; P237-A244 HydrophobicContact CB-CB 4.03Å; P237-A244 WeakPolarHBondContact O-CB 3.47Å; P237-A244 PolarHBondContact O-N 3.43Å; I239-A244 HydrophobicContact CD1-CB 3.69Å; I239-A244 HydrophobicContact CG1-CB 3.82Å; K242-A244 PolarHBondContact O-N 3.17Å
245	Y	95.6	Very high	95	Very high	18 Å²	18	39.6 Å²	39.6	7%	0.071	21%	0.209	C	C	.	.	S	Bend	trans	-123.3	-143.8	-169	-55.4	-40.1	0	0	0	110.8	L141 G178 L180 P237 H247 E260 Y270	L141-Y245 HydrophobicContact CD2-CE2 3.98Å; G178-Y245 WeakPolarHBondContact CA-O 3.05Å; G178-Y245 PolarHBondContact N-O 3.33Å; L180-Y245 HydrophobicContact CB-CD1 3.56Å; L180-Y245 HydrophobicContact CB-CE1 3.93Å; L180-Y245 HydrophobicContact CB-CG 4.16Å; L180-Y245 HydrophobicContact CD2-CG 4.47Å; P237-Y245 HydrophobicContact CB-CD2 3.95Å; P237-Y245 HydrophobicContact CB-CE2 3.8Å; P237-Y245 HydrophobicContact CG-CD2 3.85Å; P237-Y245 HydrophobicContact CG-CE2 3.75Å; Y245-H247 PolarHBondContact O-N 2.97Å; Y245-H247 PolarHBondContact O-ND1 3.32Å; Y245-E260 WeakPolarHBondContact CB-OE1 3.13Å; Y245-E260 WeakPolarHBondContact CB-OE2 3.27Å; Y245-Y270 AromaticContact CD2-CD1 3.36Å; Y245-Y270 HydrophobicContact CD2-CD1 3.36Å; Y245-Y270 AromaticContact CD2-CE1 3.41Å; Y245-Y270 HydrophobicContact CD2-CE1 3.41Å; Y245-Y270 VanDerWaalsContact CD2-CE1 3.41Å; Y245-Y270 AromaticContact CD2-CG 3.94Å; Y245-Y270 HydrophobicContact CD2-CG 3.94Å; Y245-Y270 AromaticContact CE2-CD1 3.53Å; Y245-Y270 HydrophobicContact CE2-CD1 3.53Å; Y245-Y270 HydrophobicContact CE2-CD2 4.1Å; Y245-Y270 AromaticContact CE2-CE1 3.95Å; Y245-Y270 HydrophobicContact CE2-CE1 3.95Å; Y245-Y270 HydrophobicContact CE2-CE2 4.46Å; Y245-Y270 AromaticContact CE2-CG 3.59Å; Y245-Y270 HydrophobicContact CE2-CG 3.59Å; Y245-Y270 HydrophobicContact CG-CD1 4.29Å; Y245-Y270 HydrophobicContact CG-CE1 4.37Å
246	M	94.9	Very high	95	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-54.4	134	-178.2	-166	-174.8	-58	0	0	111.5	V175 I176 L185 L186 A257 E260	V175-M246 HydrophobicContact CG1-CG 4.39Å; V175-M246 HydrophobicContact CG1-SD 4.07Å; I176-M246 WeakPolarHBondContact O-CA 3.38Å; L185-M246 HydrophobicContact CD2-CE 4.11Å; L185-M246 HydrophobicContact CG-CE 4.07Å; L186-M246 HydrophobicContact CB-CE 4.43Å; L186-M246 HydrophobicContact CD1-CE 3.5Å; L186-M246 HydrophobicContact CD2-CE 4.47Å; L186-M246 HydrophobicContact CD2-CG 4.2Å; L186-M246 HydrophobicContact CG-CE 3.47Å; L186-M246 VanDerWaalsContact CG-CE 3.47Å; L186-M246 HydrophobicContact CG-CG 4.16Å; L186-M246 HydrophobicContact CG-SD 4.28Å; M246-A257 WeakPolarHBondContact O-CA 3.49Å; M246-A257 VanDerWaalsContact O-CB 3.26Å; M246-A257 WeakPolarHBondContact O-CB 3.34Å; M246-E260 HydrophobicContact CB-CB 3.94Å; M246-E260 HydrophobicContact CB-CG 4.1Å; M246-E260 VanDerWaalsContact CB-OE1 3.29Å; M246-E260 WeakPolarHBondContact CB-OE1 3.38Å; M246-E260 WeakPolarHBondContact CB-OE2 3.2Å; M246-E260 HydrophobicContact CE-CB 3.93Å; M246-E260 HydrophobicContact CE-CG 4.09Å; M246-E260 PolarHBondContact N-OE1 3.42Å; M246-E260 VanDerWaalsContact N-OE1 3.09Å; M246-E260 PolarHBondContact N-OE2 2.6Å; M246-E260 HydrophobicContact SD-CB 4.25Å
247	H	95.5	Very high	95	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.231	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-154.4	162.7	180	60.4	-76.1	0	0	0	111.4	D174 I176 L243 Y245	D174-H247 CarbonylContact C-O 3.56Å; D174-H247 CarbonylContact O-C 3.44Å; D174-H247 VanDerWaalsContact O-O 3.08Å; I176-H247 WeakPolarHBondContact CA-O 3.42Å; I176-H247 VanDerWaalsContact CB-O 3.27Å; I176-H247 WeakPolarHBondContact CB-O 3.31Å; I176-H247 PolarHBondContact N-O 3.49Å; I176-H247 PolarHBondContact O-N 2.91Å; I176-H247 VanDerWaalsContact O-N 3.14Å; I176-H247 PolarHBondContact O-ND1 2.9Å; L243-H247 HydrophobicContact CB-CB 4.05Å; L243-H247 HydrophobicContact CD1-CB 3.63Å; L243-H247 HydrophobicContact CG-CB 4.49Å; Y245-H247 PolarHBondContact O-N 2.97Å; Y245-H247 PolarHBondContact O-ND1 3.32Å
248	S	94	Very high	95	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	20%	0.201	C	C	.	.			trans	-86.8	160.2	175.4	-56.5	0	0	0	0	113.2	D174 S250 S256	D174-S248 WeakPolarHBondContact CA-OG 3.24Å; D174-S248 VanDerWaalsContact CB-OG 3.31Å; D174-S248 WeakPolarHBondContact CB-OG 3.37Å; D174-S248 WeakPolarHBondContact O-CA 3.47Å; D174-S248 PolarHBondContact O-N 2.91Å; D174-S248 PolarHBondContact O-OG 3.01Å; S248-S250 WeakPolarHBondContact CB-O 3.5Å; S248-S250 PolarHBondContact O-N 3.3Å; S248-S256 PolarHBondContact OG-OG 3.17Å
249	E	90.4	Very high	95	Very high	138 Å²	138	37.6 Å²	37.6	65%	0.645	20%	0.201	S	C	*	.	S	Bend	trans	-58.1	-39.6	166.6	-174.6	173.4	-159.3	0	0	111.3	F173 I176 N251	F173-E249 WeakPolarHBondContact O-CB 3.46Å; F173-E249 PolarHBondContact O-N 3.1Å; I176-E249 HydrophobicContact CD1-CB 3.99Å; E249-N251 PolarHBondContact O-N 2.81Å
250	S	91.6	Very high	95.2	Very high	36 Å²	36	37.2 Å²	37.2	25%	0.252	20%	0.199	S	C	.	.	S	Bend	trans	-75.7	116.3	170	-177.3	0	0	0	0	110.9	S248 S252 E253	S248-S250 WeakPolarHBondContact CB-O 3.5Å; S248-S250 PolarHBondContact O-N 3.3Å; S250-S252 PolarHBondContact O-N 2.74Å; S250-S252 PolarHBondContact OG-N 3.27Å; S250-S252 PolarHBondContact OG-OG 3.1Å; S250-E253 PolarHBondContact O-N 2.81Å; S250-E253 VanDerWaalsContact O-N 3.1Å
251	N	92.3	Very high	95.5	Very high	126 Å²	126	30.7 Å²	30.7	67%	0.674	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.9	176.7	-66.8	-54.1	0	0	0	114	V160 E249	V160-N251 HydrophobicContact CG1-CB 4.34Å; V160-N251 VanDerWaalsContact CG1-O 3.29Å; V160-N251 WeakPolarHBondContact CG1-O 3.05Å; E249-N251 PolarHBondContact O-N 2.81Å
252	S	93.4	Very high	95.8	Very high	29 Å²	29	28.9 Å²	28.9	20%	0.203	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.3	178.2	57.7	0	0	0	0	114.1	E162 Q164 S250 F254	E162-S252 WeakPolarHBondContact O-CB 3.46Å; Q164-S252 PolarHBondContact N-O 3.3Å; Q164-S252 VanDerWaalsContact O-O 3.13Å; S250-S252 PolarHBondContact O-N 2.74Å; S250-S252 PolarHBondContact OG-N 3.27Å; S250-S252 PolarHBondContact OG-OG 3.1Å; S252-F254 VanDerWaalsContact O-CD2 3.32Å; S252-F254 WeakPolarHBondContact O-CD2 3.26Å; S252-F254 WeakPolarHBondContact O-CE2 3.3Å
253	E	95.5	Very high	96	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-104.5	136.5	-178.6	-170.1	166.4	-146.9	0	0	112.2	Q164 L165 F166 V167 D174 S250	Q164-E253 WeakPolarHBondContact O-CA 3.48Å; L165-E253 WeakPolarHBondContact O-CG 3.2Å; F166-E253 WeakPolarHBondContact CA-OE1 3.4Å; V167-E253 HydrophobicContact CB-CB 4.17Å; V167-E253 HydrophobicContact CB-CG 4.38Å; V167-E253 HydrophobicContact CG2-CB 3.66Å; V167-E253 HydrophobicContact CG2-CG 4.14Å; V167-E253 PolarHBondContact N-OE1 3.14Å; D174-E253 VanDerWaalsContact CG-OE2 3.28Å; S250-E253 PolarHBondContact O-N 2.81Å; S250-E253 VanDerWaalsContact O-N 3.1Å
254	F	97	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.			trans	-133.3	2.2	-168.1	-67.9	-87	0	0	0	115.4	P156 I159 V160 P163 Q164 F209 L236 L243 S252 S256 A257 L258	P156-F254 HydrophobicContact CB-CD1 4.05Å; P156-F254 HydrophobicContact CB-CD2 3.95Å; P156-F254 HydrophobicContact CB-CE1 3.9Å; P156-F254 HydrophobicContact CB-CE2 3.81Å; P156-F254 HydrophobicContact CB-CG 4.08Å; P156-F254 HydrophobicContact CB-CZ 3.78Å; P156-F254 HydrophobicContact CG-CD1 3.81Å; P156-F254 HydrophobicContact CG-CD2 4.37Å; P156-F254 HydrophobicContact CG-CE1 4.02Å; P156-F254 HydrophobicContact CG-CG 4Å; P156-F254 HydrophobicContact CG-CZ 4.41Å; I159-F254 HydrophobicContact CD1-CE1 4.25Å; V160-F254 HydrophobicContact CG2-CE2 3.72Å; V160-F254 HydrophobicContact CG2-CZ 3.82Å; P163-F254 HydrophobicContact CB-CD2 4.01Å; P163-F254 HydrophobicContact CB-CE2 3.76Å; Q164-F254 PolarHBondContact O-N 3.37Å; Q164-F254 VanDerWaalsContact O-N 3.14Å; F209-F254 HydrophobicContact CE2-CB 4.02Å; F209-F254 HydrophobicContact CE2-CD2 4.38Å; F209-F254 HydrophobicContact CZ-CB 3.98Å; F209-F254 HydrophobicContact CZ-CD2 4.4Å; F209-F254 HydrophobicContact CZ-CG 4.33Å; L236-F254 HydrophobicContact CD1-CD1 3.7Å; L236-F254 HydrophobicContact CD1-CE1 4.32Å; L243-F254 HydrophobicContact CD1-CD1 4.09Å; L243-F254 HydrophobicContact CD1-CE1 3.93Å; L243-F254 HydrophobicContact CD2-CE1 4.42Å; L243-F254 HydrophobicContact CG-CE1 4.46Å; S252-F254 VanDerWaalsContact O-CD2 3.32Å; S252-F254 WeakPolarHBondContact O-CD2 3.26Å; S252-F254 WeakPolarHBondContact O-CE2 3.3Å; F254-S256 VanDerWaalsContact C-N 3.29Å; F254-S256 PolarHBondContact O-N 3.32Å; F254-A257 PolarHBondContact O-N 3.33Å; F254-L258 HydrophobicContact CB-CD1 4.24Å; F254-L258 WeakPolarHBondContact O-CB 3.36Å; F254-L258 VanDerWaalsContact O-CG 3.3Å; F254-L258 WeakPolarHBondContact O-CG 3.39Å; F254-L258 PolarHBondContact O-N 2.97Å
255	W	97.2	Very high	96	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-59.1	-40.4	-178.9	72.3	-100.5	0	0	0	112.4	L165 F166 H170 D174 V175 T193 F199 V203 L258 L259	L165-W255 HydrophobicContact CD1-CB 3.88Å; L165-W255 HydrophobicContact CG-CB 4.17Å; L165-W255 WeakPolarHBondContact O-CB 2.78Å; L165-W255 PolarHBondContact O-N 3.36Å; F166-W255 HydrophobicContact CD1-CB 4.16Å; F166-W255 AromaticContact CD1-CD1 3.8Å; F166-W255 HydrophobicContact CD1-CG 4.12Å; F166-W255 HydrophobicContact CE1-CB 3.8Å; F166-W255 AromaticContact CE1-CG 3.99Å; F166-W255 HydrophobicContact CE1-CG 3.99Å; H170-W255 HydrophobicContact CB-CZ2 4.39Å; D174-W255 HydrophobicContact CB-CZ2 3.49Å; D174-W255 VanDerWaalsContact CB-CZ2 3.49Å; D174-W255 VanDerWaalsContact CB-NE1 3.33Å; D174-W255 PolarHBondContact OD2-NE1 2.8Å; V175-W255 HydrophobicContact CG2-CH2 3.57Å; V175-W255 HydrophobicContact CG2-CZ2 3.98Å; T193-W255 HydrophobicContact CG2-CH2 4.09Å; T193-W255 HydrophobicContact CG2-CZ2 4.2Å; F199-W255 HydrophobicContact CE2-CD2 4.09Å; F199-W255 AromaticContact CE2-CE3 3.81Å; F199-W255 HydrophobicContact CE2-CE3 3.81Å; F199-W255 AromaticContact CE2-CH2 3.79Å; F199-W255 HydrophobicContact CE2-CH2 3.79Å; F199-W255 AromaticContact CE2-CZ2 4Å; F199-W255 HydrophobicContact CE2-CZ2 4Å; F199-W255 AromaticContact CE2-CZ3 3.7Å; F199-W255 HydrophobicContact CE2-CZ3 3.7Å; F199-W255 AromaticContact CZ-CD2 3.91Å; F199-W255 HydrophobicContact CZ-CD2 3.91Å; F199-W255 AromaticContact CZ-CE3 3.96Å; F199-W255 HydrophobicContact CZ-CE3 3.96Å; F199-W255 HydrophobicContact CZ-CG 4.37Å; F199-W255 HydrophobicContact CZ-CZ2 4.44Å; F199-W255 HydrophobicContact CZ-CZ3 4.32Å; V203-W255 HydrophobicContact CG2-CE3 4.44Å; W255-L258 PolarHBondContact O-N 3.2Å; W255-L259 HydrophobicContact CE3-CB 4.46Å; W255-L259 HydrophobicContact CE3-CD2 4.28Å; W255-L259 HydrophobicContact CZ3-CD2 3.78Å; W255-L259 VanDerWaalsContact O-CB 3.24Å; W255-L259 WeakPolarHBondContact O-CB 3.28Å; W255-L259 PolarHBondContact O-N 3.13Å
256	S	97.3	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-44.5	-176.5	58.7	0	0	0	0	111.8	D174 S248 F254 L258 L259 E260	D174-S256 WeakPolarHBondContact O-CB 3.29Å; D174-S256 PolarHBondContact O-OG 3.05Å; S248-S256 PolarHBondContact OG-OG 3.17Å; F254-S256 VanDerWaalsContact C-N 3.29Å; F254-S256 PolarHBondContact O-N 3.32Å; S256-L258 VanDerWaalsContact C-N 3.34Å; S256-L258 PolarHBondContact O-N 3.03Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.46Å; S256-E260 WeakPolarHBondContact O-CB 3.47Å; S256-E260 PolarHBondContact O-N 2.72Å
257	A	98.3	Very high	95.9	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-40	174.9	0	0	0	0	0	112.6	L236 L243 M246 F254 K261	L236-A257 HydrophobicContact CD1-CB 3.8Å; L236-A257 HydrophobicContact CD2-CB 4.1Å; L243-A257 HydrophobicContact CD1-CB 3.98Å; M246-A257 WeakPolarHBondContact O-CA 3.49Å; M246-A257 VanDerWaalsContact O-CB 3.26Å; M246-A257 WeakPolarHBondContact O-CB 3.34Å; F254-A257 PolarHBondContact O-N 3.33Å; A257-K261 PolarHBondContact O-N 3.23Å; A257-K261 VanDerWaalsContact O-N 3.08Å
258	L	98.6	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-73.2	-36.3	177.4	-70.6	169.7	0	0	0	112.1	L165 F209 F217 F219 D234 L236 F254 W255 S256 K261 A262	L165-L258 HydrophobicContact CD1-CD1 3.88Å; F209-L258 HydrophobicContact CE2-CD1 4.45Å; F209-L258 HydrophobicContact CZ-CD1 4.03Å; F217-L258 HydrophobicContact CB-CD1 4.47Å; F217-L258 HydrophobicContact CD1-CD1 3.73Å; F217-L258 HydrophobicContact CD2-CD1 4.01Å; F217-L258 HydrophobicContact CD2-CD2 4.28Å; F217-L258 HydrophobicContact CE1-CD1 3.93Å; F217-L258 HydrophobicContact CE2-CD1 4.2Å; F217-L258 HydrophobicContact CG-CD1 3.8Å; F217-L258 HydrophobicContact CG-CD2 4.48Å; F217-L258 HydrophobicContact CZ-CD1 4.17Å; F219-L258 HydrophobicContact CE2-CB 3.69Å; F219-L258 WeakPolarHBondContact CE2-O 3.24Å; F219-L258 VanDerWaalsContact CZ-C 3.46Å; F219-L258 HydrophobicContact CZ-CB 3.42Å; F219-L258 VanDerWaalsContact CZ-CB 3.42Å; D234-L258 HydrophobicContact CB-CD2 4.22Å; L236-L258 HydrophobicContact CD1-CD2 4.46Å; L236-L258 HydrophobicContact CD2-CD2 4.19Å; L236-L258 HydrophobicContact CG-CD2 4.46Å; F254-L258 HydrophobicContact CB-CD1 4.24Å; F254-L258 WeakPolarHBondContact O-CB 3.36Å; F254-L258 VanDerWaalsContact O-CG 3.3Å; F254-L258 WeakPolarHBondContact O-CG 3.39Å; F254-L258 PolarHBondContact O-N 2.97Å; W255-L258 PolarHBondContact O-N 3.2Å; S256-L258 VanDerWaalsContact C-N 3.34Å; S256-L258 PolarHBondContact O-N 3.03Å; L258-K261 WeakPolarHBondContact O-CB 3.34Å; L258-K261 PolarHBondContact O-N 3.31Å; L258-A262 PolarHBondContact O-N 3.18Å
259	L	98.7	Very high	95.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-50.8	172.5	175.5	71.7	0	0	0	110.5	A189 V202 V203 F219 F221 W255 S256 K261 A262 Y263 F285	A189-L259 HydrophobicContact CB-CD2 4.12Å; V202-L259 HydrophobicContact CG1-CD1 3.58Å; V203-L259 HydrophobicContact CG2-CD1 4.28Å; F219-L259 HydrophobicContact CB-CD1 4.46Å; F219-L259 HydrophobicContact CD1-CB 3.99Å; F219-L259 HydrophobicContact CD1-CD1 3.53Å; F219-L259 HydrophobicContact CD1-CG 4.4Å; F219-L259 HydrophobicContact CE1-CB 3.73Å; F219-L259 HydrophobicContact CE1-CD1 4.12Å; F219-L259 HydrophobicContact CG-CD1 4.24Å; F219-L259 HydrophobicContact CZ-CB 4.41Å; F221-L259 HydrophobicContact CE1-CD1 3.69Å; F221-L259 HydrophobicContact CZ-CD1 3.77Å; W255-L259 HydrophobicContact CE3-CB 4.46Å; W255-L259 HydrophobicContact CE3-CD2 4.28Å; W255-L259 HydrophobicContact CZ3-CD2 3.78Å; W255-L259 VanDerWaalsContact O-CB 3.24Å; W255-L259 WeakPolarHBondContact O-CB 3.28Å; W255-L259 PolarHBondContact O-N 3.13Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.46Å; L259-K261 VanDerWaalsContact C-N 3.27Å; L259-K261 PolarHBondContact O-N 2.85Å; L259-A262 PolarHBondContact O-N 3.44Å; L259-Y263 WeakPolarHBondContact O-CB 3.48Å; L259-Y263 PolarHBondContact O-N 2.84Å; L259-F285 HydrophobicContact CD2-CZ 4.31Å
260	E	98.5	Very high	96	Very high	3 Å²	3	13 Å²	13	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-58.5	-40.9	177.3	-171.3	-166.8	-130.2	0	0	111	D182 L185 Y245 M246 S256 Y263 A264 Y270 L273	D182-E260 VanDerWaalsContact OD2-OE1 3.09Å; L185-E260 HydrophobicContact CD2-CG 4.22Å; Y245-E260 WeakPolarHBondContact CB-OE1 3.13Å; Y245-E260 WeakPolarHBondContact CB-OE2 3.27Å; M246-E260 HydrophobicContact CB-CB 3.94Å; M246-E260 HydrophobicContact CB-CG 4.1Å; M246-E260 VanDerWaalsContact CB-OE1 3.29Å; M246-E260 WeakPolarHBondContact CB-OE1 3.38Å; M246-E260 WeakPolarHBondContact CB-OE2 3.2Å; M246-E260 HydrophobicContact CE-CB 3.93Å; M246-E260 HydrophobicContact CE-CG 4.09Å; M246-E260 PolarHBondContact N-OE1 3.42Å; M246-E260 VanDerWaalsContact N-OE1 3.09Å; M246-E260 PolarHBondContact N-OE2 2.6Å; M246-E260 HydrophobicContact SD-CB 4.25Å; S256-E260 WeakPolarHBondContact O-CB 3.47Å; S256-E260 PolarHBondContact O-N 2.72Å; E260-Y263 PolarHBondContact O-N 2.58Å; E260-A264 VanDerWaalsContact O-CB 3.32Å; E260-A264 WeakPolarHBondContact O-CB 3.49Å; E260-A264 PolarHBondContact O-N 3.26Å; E260-Y270 HydrophobicContact CG-CE1 4.07Å; E260-L273 HydrophobicContact CG-CD1 4.08Å
261	K	98.6	Very high	96.1	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-47.3	174.4	-172.5	177.8	174.9	178.9	0	112.8	F134 V232 D233 R235 L236 A257 L258 L259 Y263 A264 K265 Y270	F134-K261 HydrophobicContact CD1-CG 4.42Å; F134-K261 HydrophobicContact CE1-CG 4.13Å; V232-K261 HydrophobicContact CB-CD 4.34Å; V232-K261 HydrophobicContact CG1-CG 4.35Å; D233-K261 WeakPolarHBondContact O-CE 2.96Å; D233-K261 PolarHBondContact O-NZ 3.15Å; D233-K261 IonicContact OD1-NZ 2.64Å; D233-K261 PolarHBondContact OD1-NZ 2.9Å; R235-K261 PolarHBondContact O-NZ 2.9Å; L236-K261 HydrophobicContact CD2-CB 4.3Å; L236-K261 HydrophobicContact CD2-CD 4.17Å; A257-K261 PolarHBondContact O-N 3.23Å; A257-K261 VanDerWaalsContact O-N 3.08Å; L258-K261 WeakPolarHBondContact O-CB 3.34Å; L258-K261 PolarHBondContact O-N 3.31Å; L259-K261 VanDerWaalsContact C-N 3.27Å; L259-K261 PolarHBondContact O-N 2.85Å; K261-Y263 VanDerWaalsContact C-N 3.27Å; K261-Y263 PolarHBondContact O-N 2.61Å; K261-A264 WeakPolarHBondContact O-CB 3.32Å; K261-A264 PolarHBondContact O-N 3.3Å; K261-K265 PolarHBondContact O-N 3.46Å; K261-Y270 WeakPolarHBondContact CA-OH 3.13Å; K261-Y270 WeakPolarHBondContact CB-OH 3.41Å; K261-Y270 HydrophobicContact CG-CE2 4.39Å; K261-Y270 WeakPolarHBondContact CG-OH 3.49Å
262	A	98.6	Very high	96.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.9	-37.6	178.9	0	0	0	0	0	111.2	F219 F221 V230 V232 L258 L259 K265 L266	F219-A262 HydrophobicContact CB-CB 3.74Å; F219-A262 HydrophobicContact CD2-CB 3.36Å; F219-A262 HydrophobicContact CE2-CB 4.23Å; F219-A262 HydrophobicContact CG-CB 3.75Å; F221-A262 HydrophobicContact CE2-CB 3.93Å; F221-A262 HydrophobicContact CZ-CB 4.15Å; V230-A262 HydrophobicContact CB-CB 4.34Å; V230-A262 HydrophobicContact CG1-CB 4.09Å; V230-A262 WeakPolarHBondContact CG1-O 3.49Å; V232-A262 HydrophobicContact CG1-CB 4.05Å; V232-A262 HydrophobicContact CG2-CB 4.29Å; L258-A262 PolarHBondContact O-N 3.18Å; L259-A262 PolarHBondContact O-N 3.44Å; A262-K265 WeakPolarHBondContact O-CB 3.48Å; A262-K265 PolarHBondContact O-N 3.32Å; A262-L266 PolarHBondContact O-N 2.84Å
263	Y	98	Very high	96.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-69.9	-36.9	175	-159.1	-105.9	0	0	0	112.4	W184 L185 F221 L259 E260 K261 K265 L266 H267 L273 D284 F285	W184-Y263 AromaticContact CH2-CE1 3.7Å; W184-Y263 HydrophobicContact CH2-CE1 3.7Å; W184-Y263 HydrophobicContact CZ2-CE1 4.39Å; W184-Y263 HydrophobicContact CZ3-CE1 4.26Å; L185-Y263 HydrophobicContact CD1-CD1 3.53Å; L185-Y263 HydrophobicContact CD1-CD2 4.46Å; L185-Y263 HydrophobicContact CD1-CE1 3.5Å; L185-Y263 HydrophobicContact CD1-CE2 4.45Å; L185-Y263 HydrophobicContact CD1-CG 4.01Å; L185-Y263 HydrophobicContact CD2-CD1 3.53Å; L185-Y263 HydrophobicContact CD2-CE1 4.12Å; L185-Y263 HydrophobicContact CD2-CG 4.23Å; L185-Y263 HydrophobicContact CG-CD1 4.16Å; L185-Y263 HydrophobicContact CG-CE1 4.36Å; F221-Y263 AromaticContact CD1-CD2 3.84Å; F221-Y263 HydrophobicContact CD1-CD2 3.84Å; F221-Y263 HydrophobicContact CD1-CE2 4.26Å; F221-Y263 AromaticContact CE1-CD2 3.65Å; F221-Y263 HydrophobicContact CE1-CD2 3.65Å; F221-Y263 HydrophobicContact CE1-CE2 4.44Å; F221-Y263 HydrophobicContact CE1-CG 4.5Å; F221-Y263 HydrophobicContact CE2-CD2 4.33Å; F221-Y263 HydrophobicContact CG-CD2 4.27Å; F221-Y263 AromaticContact CZ-CD2 3.89Å; F221-Y263 HydrophobicContact CZ-CD2 3.89Å; F221-Y263 HydrophobicContact CZ-CG 4.46Å; L259-Y263 WeakPolarHBondContact O-CB 3.48Å; L259-Y263 PolarHBondContact O-N 2.84Å; E260-Y263 PolarHBondContact O-N 2.58Å; K261-Y263 VanDerWaalsContact C-N 3.27Å; K261-Y263 PolarHBondContact O-N 2.61Å; Y263-K265 VanDerWaalsContact C-N 3.32Å; Y263-K265 PolarHBondContact O-N 2.77Å; Y263-L266 HydrophobicContact CD2-CD2 3.89Å; Y263-L266 HydrophobicContact CE2-CD2 3.9Å; Y263-L266 WeakPolarHBondContact O-CB 3.4Å; Y263-L266 PolarHBondContact O-N 3.15Å; Y263-H267 AromaticContact CD1-CD2 3.76Å; Y263-H267 AromaticContact CE1-CD2 3.51Å; Y263-H267 AromaticContact CE1-NE2 3.57Å; Y263-H267 AromaticContact CE2-NE2 3.72Å; Y263-H267 AromaticContact CZ-CD2 3.73Å; Y263-H267 AromaticContact CZ-NE2 3.3Å; Y263-H267 VanDerWaalsContact CZ-NE2 3.3Å; Y263-H267 PolarHBondContact O-CD2 3.43Å; Y263-H267 VanDerWaalsContact O-CD2 3.32Å; Y263-H267 PolarHBondContact O-N 3.09Å; Y263-H267 VanDerWaalsContact O-N 3.15Å; Y263-H267 PolarHBondContact OH-NE2 3.4Å; Y263-L273 HydrophobicContact CD1-CD1 4.33Å; Y263-L273 HydrophobicContact CD1-CD2 3.49Å; Y263-L273 VanDerWaalsContact CD1-CD2 3.49Å; Y263-L273 HydrophobicContact CE1-CD2 3.92Å; Y263-D284 HydrophobicContact CE2-CB 3.97Å; Y263-D284 PolarHBondContact OH-OD2 3.2Å; Y263-F285 HydrophobicContact CD2-CE1 4.07Å; Y263-F285 HydrophobicContact CE2-CE1 4.06Å
264	A	97.1	Very high	95.9	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60	-43.2	170.7	0	0	0	0	0	111.1	F134 E260 K261 H267 G268 S269 Y270 L273	F134-A264 HydrophobicContact CE1-CB 4.42Å; F134-A264 HydrophobicContact CZ-CB 3.88Å; E260-A264 VanDerWaalsContact O-CB 3.32Å; E260-A264 WeakPolarHBondContact O-CB 3.49Å; E260-A264 PolarHBondContact O-N 3.26Å; K261-A264 WeakPolarHBondContact O-CB 3.32Å; K261-A264 PolarHBondContact O-N 3.3Å; A264-H267 CarbonylContact O-C 3.56Å; A264-H267 PolarHBondContact O-N 2.93Å; A264-G268 CarbonylContact O-C 3.54Å; A264-G268 PolarHBondContact O-N 3.14Å; A264-S269 PolarHBondContact O-N 3.26Å; A264-Y270 HydrophobicContact CB-CD1 3.86Å; A264-Y270 HydrophobicContact CB-CD2 4Å; A264-Y270 HydrophobicContact CB-CE1 4.11Å; A264-Y270 HydrophobicContact CB-CE2 4.23Å; A264-Y270 HydrophobicContact CB-CG 3.83Å; A264-L273 HydrophobicContact CB-CD1 3.82Å; A264-L273 HydrophobicContact CB-CG 4.28Å
265	K	95.9	Very high	95.4	Very high	9 Å²	9	11 Å²	11	4%	0.039	8%	0.075	C	C	.	.	H	α-helix	trans	-62.3	-43.1	173.4	176.1	175.1	179	174.2	0	112.4	F89 D131 F134 V230 V231 V232 K261 A262 Y263 H267 G268	F89-K265 HydrophobicContact CE1-CG 4.23Å; D131-K265 VanDerWaalsContact CG-NZ 3.33Å; D131-K265 IonicContact OD1-NZ 3.48Å; D131-K265 PolarHBondContact OD1-NZ 2.96Å; D131-K265 IonicContact OD2-NZ 3.49Å; D131-K265 PolarHBondContact OD2-NZ 3Å; F134-K265 HydrophobicContact CB-CB 4.17Å; F134-K265 HydrophobicContact CB-CD 3.68Å; F134-K265 HydrophobicContact CB-CG 3.84Å; F134-K265 HydrophobicContact CD1-CB 4.02Å; F134-K265 HydrophobicContact CD2-CB 3.75Å; F134-K265 HydrophobicContact CD2-CG 3.94Å; F134-K265 HydrophobicContact CE1-CB 4.3Å; F134-K265 HydrophobicContact CE2-CB 4.06Å; F134-K265 HydrophobicContact CG-CB 3.72Å; F134-K265 HydrophobicContact CG-CD 4.18Å; F134-K265 HydrophobicContact CG-CG 3.9Å; F134-K265 HydrophobicContact CZ-CB 4.31Å; V230-K265 HydrophobicContact CG1-CB 4.17Å; V230-K265 HydrophobicContact CG1-CD 3.74Å; V230-K265 HydrophobicContact CG1-CG 4.01Å; V231-K265 WeakPolarHBondContact O-CD 3.29Å; V231-K265 PolarHBondContact O-NZ 2.79Å; V232-K265 HydrophobicContact CG1-CB 4.28Å; V232-K265 HydrophobicContact CG1-CD 3.78Å; K261-K265 PolarHBondContact O-N 3.46Å; A262-K265 WeakPolarHBondContact O-CB 3.48Å; A262-K265 PolarHBondContact O-N 3.32Å; Y263-K265 VanDerWaalsContact C-N 3.32Å; Y263-K265 PolarHBondContact O-N 2.77Å; K265-H267 PolarHBondContact O-N 3.01Å; K265-G268 PolarHBondContact O-N 2.82Å; K265-G268 VanDerWaalsContact O-N 3.14Å
266	L	94.6	Very high	95	Very high	4 Å²	4	12 Å²	12	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-55.2	-36.8	177	-177.1	70.7	0	0	0	112	F89 F221 R223 V228 V230 A262 Y263	F89-L266 HydrophobicContact CD2-CD1 3.82Å; F89-L266 HydrophobicContact CE2-CD1 3.62Å; F89-L266 HydrophobicContact CZ-CD1 4.12Å; F221-L266 HydrophobicContact CB-CD2 3.87Å; F221-L266 HydrophobicContact CD2-CD2 3.89Å; F221-L266 HydrophobicContact CG-CD2 3.91Å; R223-L266 HydrophobicContact CG-CD1 3.99Å; R223-L266 PolarHBondContact NH2-O 3.13Å; V228-L266 HydrophobicContact CG2-CD1 4Å; V230-L266 HydrophobicContact CG2-CB 4.44Å; V230-L266 HydrophobicContact CG2-CD1 3.99Å; A262-L266 PolarHBondContact O-N 2.84Å; Y263-L266 HydrophobicContact CD2-CD2 3.89Å; Y263-L266 HydrophobicContact CE2-CD2 3.9Å; Y263-L266 WeakPolarHBondContact O-CB 3.4Å; Y263-L266 PolarHBondContact O-N 3.15Å
267	H	93	Very high	94.5	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.032	10%	0.098	C	C	.	.	H	α-helix	trans	-99.8	-0.8	-178.6	-69.6	-66	0	0	0	114.3	Y263 A264 K265 A272 L273 D284 R495 E496	Y263-H267 AromaticContact CD1-CD2 3.76Å; Y263-H267 AromaticContact CE1-CD2 3.51Å; Y263-H267 AromaticContact CE1-NE2 3.57Å; Y263-H267 AromaticContact CE2-NE2 3.72Å; Y263-H267 AromaticContact CZ-CD2 3.73Å; Y263-H267 AromaticContact CZ-NE2 3.3Å; Y263-H267 VanDerWaalsContact CZ-NE2 3.3Å; Y263-H267 PolarHBondContact O-CD2 3.43Å; Y263-H267 VanDerWaalsContact O-CD2 3.32Å; Y263-H267 PolarHBondContact O-N 3.09Å; Y263-H267 VanDerWaalsContact O-N 3.15Å; Y263-H267 PolarHBondContact OH-NE2 3.4Å; A264-H267 CarbonylContact O-C 3.56Å; A264-H267 PolarHBondContact O-N 2.93Å; K265-H267 PolarHBondContact O-N 3.01Å; H267-A272 HydrophobicContact CB-CB 3.98Å; H267-A272 WeakPolarHBondContact O-CB 3.43Å; H267-L273 HydrophobicContact CB-CD2 4.08Å; H267-D284 IonicContact NE2-OD2 2.66Å; H267-R495 VanDerWaalsContact ND1-CD 3.34Å; H267-R495 WeakPolarHBondContact ND1-CD 3.27Å; H267-E496 IonicContact CE1-OE1 3Å; H267-E496 PolarHBondContact CE1-OE1 2.8Å; H267-E496 IonicContact ND1-OE1 3.61Å; H267-E496 PolarHBondContact ND1-OE1 2.75Å
268	G	91.4	Very high	94.1	Very high	48 Å²	48	14.3 Å²	14.3	50%	0.495	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-15.7	172	0	0	0	0	0	116.4	A264 K265	A264-G268 CarbonylContact O-C 3.54Å; A264-G268 PolarHBondContact O-N 3.14Å; K265-G268 PolarHBondContact O-N 2.82Å; K265-G268 VanDerWaalsContact O-N 3.14Å
269	S	94.4	Very high	93.7	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	11%	0.108	C	C	.	.	S	Bend	trans	-171.5	163.3	175.1	59.9	0	0	0	0	111.4	S140 Y143 A264 E271 A272	S140-S269 CarbonylContact O-C 3.53Å; S140-S269 VanDerWaalsContact O-CA 3.28Å; S140-S269 WeakPolarHBondContact O-CA 3.07Å; S140-S269 WeakPolarHBondContact O-CB 3.37Å; Y143-S269 VanDerWaalsContact CD1-OG 3.29Å; Y143-S269 WeakPolarHBondContact CD1-OG 3.13Å; A264-S269 PolarHBondContact O-N 3.26Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.45Å; S269-A272 WeakPolarHBondContact O-CB 3.35Å; S269-A272 PolarHBondContact O-N 3.3Å; S269-A272 PolarHBondContact OG-N 2.97Å
270	Y	95.8	Very high	93.4	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-61	-38.8	169.7	-81.3	-84.8	0	0	0	111.7	F134 S140 L141 W153 L180 P237 Y245 E260 K261 A264 A272 L273	F134-Y270 HydrophobicContact CE1-CD2 4.43Å; F134-Y270 HydrophobicContact CE1-CE2 4.14Å; F134-Y270 HydrophobicContact CZ-CD2 4.3Å; F134-Y270 HydrophobicContact CZ-CE2 4.45Å; S140-Y270 WeakPolarHBondContact O-CD2 3.24Å; S140-Y270 PolarHBondContact O-N 2.77Å; L141-Y270 HydrophobicContact CD2-CD2 4.02Å; W153-Y270 HydrophobicContact CH2-CD2 4.4Å; W153-Y270 AromaticContact CH2-CE2 3.82Å; W153-Y270 HydrophobicContact CH2-CE2 3.82Å; W153-Y270 HydrophobicContact CZ3-CE2 4.34Å; L180-Y270 HydrophobicContact CD2-CD1 3.88Å; P237-Y270 WeakPolarHBondContact CD-OH 3.24Å; P237-Y270 HydrophobicContact CG-CD2 4.37Å; P237-Y270 HydrophobicContact CG-CE2 3.73Å; Y245-Y270 AromaticContact CD2-CD1 3.36Å; Y245-Y270 HydrophobicContact CD2-CD1 3.36Å; Y245-Y270 AromaticContact CD2-CE1 3.41Å; Y245-Y270 HydrophobicContact CD2-CE1 3.41Å; Y245-Y270 VanDerWaalsContact CD2-CE1 3.41Å; Y245-Y270 AromaticContact CD2-CG 3.94Å; Y245-Y270 HydrophobicContact CD2-CG 3.94Å; Y245-Y270 AromaticContact CE2-CD1 3.53Å; Y245-Y270 HydrophobicContact CE2-CD1 3.53Å; Y245-Y270 HydrophobicContact CE2-CD2 4.1Å; Y245-Y270 AromaticContact CE2-CE1 3.95Å; Y245-Y270 HydrophobicContact CE2-CE1 3.95Å; Y245-Y270 HydrophobicContact CE2-CE2 4.46Å; Y245-Y270 AromaticContact CE2-CG 3.59Å; Y245-Y270 HydrophobicContact CE2-CG 3.59Å; Y245-Y270 HydrophobicContact CG-CD1 4.29Å; Y245-Y270 HydrophobicContact CG-CE1 4.37Å; E260-Y270 HydrophobicContact CG-CE1 4.07Å; K261-Y270 WeakPolarHBondContact CA-OH 3.13Å; K261-Y270 WeakPolarHBondContact CB-OH 3.41Å; K261-Y270 HydrophobicContact CG-CE2 4.39Å; K261-Y270 WeakPolarHBondContact CG-OH 3.49Å; A264-Y270 HydrophobicContact CB-CD1 3.86Å; A264-Y270 HydrophobicContact CB-CD2 4Å; A264-Y270 HydrophobicContact CB-CE1 4.11Å; A264-Y270 HydrophobicContact CB-CE2 4.23Å; A264-Y270 HydrophobicContact CB-CG 3.83Å; Y270-A272 PolarHBondContact O-N 2.65Å; Y270-L273 WeakPolarHBondContact O-CB 3.35Å; Y270-L273 PolarHBondContact O-N 3.22Å
271	E	94.2	Very high	93.2	Very high	13 Å²	13	15.9 Å²	15.9	6%	0.061	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-60.4	-28.5	176.4	179.7	164.3	-132.6	0	0	113.5	L141 F142 Y143 T144 S269 L273 K274	L141-E271 WeakPolarHBondContact O-CB 3.44Å; L141-E271 PolarHBondContact O-N 3Å; F142-E271 WeakPolarHBondContact CA-OE2 3.41Å; F142-E271 HydrophobicContact CB-CB 4.32Å; F142-E271 WeakPolarHBondContact CB-OE2 3.27Å; Y143-E271 HydrophobicContact CD1-CB 4.1Å; Y143-E271 HydrophobicContact CD1-CG 4.16Å; Y143-E271 HydrophobicContact CE1-CB 3.84Å; Y143-E271 HydrophobicContact CE1-CG 3.66Å; Y143-E271 PolarHBondContact N-OE2 3.3Å; T144-E271 PolarHBondContact N-OE2 2.92Å; T144-E271 VanDerWaalsContact OG1-CD 3.3Å; T144-E271 PolarHBondContact OG1-OE1 2.97Å; T144-E271 PolarHBondContact OG1-OE2 2.83Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.45Å; E271-L273 PolarHBondContact O-N 2.87Å; E271-K274 HydrophobicContact CG-CD 4.18Å; E271-K274 WeakPolarHBondContact O-CB 3.37Å; E271-K274 PolarHBondContact O-N 3.47Å; E271-K274 VanDerWaalsContact O-N 3.16Å; E271-K274 IonicContact OE1-NZ 3.94Å; E271-K274 PolarHBondContact OE1-NZ 3.44Å
272	A	92.2	Very high	93	Very high	3 Å²	3	16 Å²	16	3%	0.025	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.9	177.3	0	0	0	0	0	113.3	Y143 H267 S269 Y270 K274 R495	Y143-A272 HydrophobicContact CE1-CB 4.17Å; H267-A272 HydrophobicContact CB-CB 3.98Å; H267-A272 WeakPolarHBondContact O-CB 3.43Å; S269-A272 WeakPolarHBondContact O-CB 3.35Å; S269-A272 PolarHBondContact O-N 3.3Å; S269-A272 PolarHBondContact OG-N 2.97Å; Y270-A272 PolarHBondContact O-N 2.65Å; A272-K274 VanDerWaalsContact C-N 3.32Å; A272-R495 PolarHBondContact O-NH1 3.42Å
273	L	94	Very high	92.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-79.9	-14.2	176.2	-52.4	-172.1	0	0	0	112.7	L180 D182 W184 L185 E260 Y263 A264 H267 Y270 E271 G275	L180-L273 HydrophobicContact CD2-CB 4.17Å; L180-L273 HydrophobicContact CD2-CD1 4.32Å; D182-L273 HydrophobicContact CB-CB 3.93Å; D182-L273 WeakPolarHBondContact CB-O 3.45Å; W184-L273 PolarHBondContact NE1-O 3.43Å; L185-L273 HydrophobicContact CD2-CD1 3.91Å; E260-L273 HydrophobicContact CG-CD1 4.08Å; Y263-L273 HydrophobicContact CD1-CD1 4.33Å; Y263-L273 HydrophobicContact CD1-CD2 3.49Å; Y263-L273 VanDerWaalsContact CD1-CD2 3.49Å; Y263-L273 HydrophobicContact CE1-CD2 3.92Å; A264-L273 HydrophobicContact CB-CD1 3.82Å; A264-L273 HydrophobicContact CB-CG 4.28Å; H267-L273 HydrophobicContact CB-CD2 4.08Å; Y270-L273 WeakPolarHBondContact O-CB 3.35Å; Y270-L273 PolarHBondContact O-N 3.22Å; E271-L273 PolarHBondContact O-N 2.87Å; L273-G275 PolarHBondContact O-N 3.17Å
274	K	90.8	Very high	92.8	Very high	95 Å²	95	16.2 Å²	16.2	41%	0.413	11%	0.112	S	C	.	.	S	Bend	trans	-63.2	124.2	177.1	-65.9	-179.7	-170.9	163.3	0	110.7	L180 G181 E271 A272 R498	L180-K274 HydrophobicContact CD1-CD 4.28Å; L180-K274 HydrophobicContact CD1-CG 3.61Å; G181-K274 WeakPolarHBondContact O-CA 3.32Å; E271-K274 HydrophobicContact CG-CD 4.18Å; E271-K274 WeakPolarHBondContact O-CB 3.37Å; E271-K274 PolarHBondContact O-N 3.47Å; E271-K274 VanDerWaalsContact O-N 3.16Å; E271-K274 IonicContact OE1-NZ 3.94Å; E271-K274 PolarHBondContact OE1-NZ 3.44Å; A272-K274 VanDerWaalsContact C-N 3.32Å; K274-R498 PolarHBondContact O-NH1 2.97Å
275	G	87.1	Confident	92.7	Very high	40 Å²	40	16.2 Å²	16.2	41%	0.412	11%	0.112	S	C	.	.	S	Bend	trans	68.1	121.7	177.6	0	0	0	0	0	113.8	G181 L273 R495 R498	G181-G275 PolarHBondContact O-N 3.48Å; L273-G275 PolarHBondContact O-N 3.17Å; G275-R495 VanDerWaalsContact O-CZ 3.3Å; G275-R495 PolarHBondContact O-NH1 2.79Å; G275-R495 PolarHBondContact O-NH2 2.82Å; G275-R498 PolarHBondContact O-NH1 3.45Å
276	G	87.7	Confident	92.7	Very high	24 Å²	24	15.8 Å²	15.8	25%	0.247	11%	0.11	C	C	.	.			trans	-175.2	-172.3	178.5	0	0	0	0	0	110
277	T	88.2	Confident	92.7	Very high	39 Å²	39	16.1 Å²	16.1	24%	0.239	11%	0.114	C	C	.	.			trans	-122.2	145.9	176.4	62.2	0	0	0	0	109.5	S279 E280 L537	T277-S279 PolarHBondContact O-N 2.84Å; T277-S279 PolarHBondContact OG1-OG 3.21Å; T277-E280 WeakPolarHBondContact O-CB 3.45Å; T277-E280 PolarHBondContact O-N 3.34Å; T277-E280 WeakPolarHBondContact OG1-CG 3.38Å; T277-L537 HydrophobicContact CG2-CD2 4.23Å
278	T	89.5	Confident	92.8	Very high	10 Å²	10	15.8 Å²	15.8	6%	0.061	11%	0.112	C	C	.	.	H	α-helix	trans	-54.7	-37.2	180	-54.4	0	0	0	0	111.6	A187 A188 E280 A281 L282	A187-T278 HydrophobicContact CB-CG2 3.88Å; A188-T278 HydrophobicContact CB-CG2 4.02Å; T278-E280 VanDerWaalsContact C-N 3.29Å; T278-E280 PolarHBondContact O-N 2.9Å; T278-A281 PolarHBondContact O-N 3.3Å; T278-A281 VanDerWaalsContact O-N 3.15Å; T278-L282 HydrophobicContact CG2-CD1 3.96Å; T278-L282 HydrophobicContact CG2-CG 4.16Å; T278-L282 WeakPolarHBondContact O-CG 3.49Å; T278-L282 PolarHBondContact O-N 3.12Å
279	S	89.6	Confident	92.9	Very high	25 Å²	25	13.5 Å²	13.5	18%	0.175	9%	0.089	C	C	.	.	H	α-helix	trans	-52.9	-39.1	172.7	56.5	0	0	0	0	114.4	T277 E283	T277-S279 PolarHBondContact O-N 2.84Å; T277-S279 PolarHBondContact OG1-OG 3.21Å; S279-E283 WeakPolarHBondContact O-CB 3.26Å; S279-E283 WeakPolarHBondContact O-CG 3.39Å; S279-E283 PolarHBondContact O-N 3.38Å
280	E	92.1	Very high	92.9	Very high	12 Å²	12	13.6 Å²	13.6	6%	0.056	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-44.6	178.3	-70.9	-178.1	-162.9	0	0	111.4	W184 T277 T278 D284 R495 R538	W184-E280 HydrophobicContact CE3-CB 4.37Å; W184-E280 HydrophobicContact CZ3-CB 3.85Å; T277-E280 WeakPolarHBondContact O-CB 3.45Å; T277-E280 PolarHBondContact O-N 3.34Å; T277-E280 WeakPolarHBondContact OG1-CG 3.38Å; T278-E280 VanDerWaalsContact C-N 3.29Å; T278-E280 PolarHBondContact O-N 2.9Å; E280-D284 VanDerWaalsContact O-CG 3.3Å; E280-D284 PolarHBondContact O-N 2.74Å; E280-D284 VanDerWaalsContact O-N 3.15Å; E280-R495 IonicContact OE1-NH2 3.04Å; E280-R495 IonicContact OE2-CZ 3.42Å; E280-R495 VanDerWaalsContact OE2-CZ 3.27Å; E280-R495 IonicContact OE2-NE 2.74Å; E280-R495 PolarHBondContact OE2-NE 3.15Å; E280-R495 IonicContact OE2-NH2 2.98Å; E280-R495 PolarHBondContact OE2-NH2 2.88Å; E280-R538 HydrophobicContact CG-CB 3.76Å; E280-R538 HydrophobicContact CG-CG 4.36Å; E280-R538 PolarHBondContact O-NH1 3.14Å; E280-R538 PolarHBondContact O-NH2 2.94Å
281	A	94.7	Very high	92.8	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-73.3	-39.3	179.9	0	0	0	0	0	111.5	W184 L185 A188 T278 E283 D284 F285	W184-A281 HydrophobicContact CE3-CB 3.77Å; W184-A281 HydrophobicContact CZ3-CB 3.67Å; L185-A281 HydrophobicContact CD1-CB 3.89Å; A188-A281 HydrophobicContact CB-CB 3.36Å; T278-A281 PolarHBondContact O-N 3.3Å; T278-A281 VanDerWaalsContact O-N 3.15Å; A281-E283 VanDerWaalsContact C-N 3.31Å; A281-E283 PolarHBondContact O-N 3.38Å; A281-D284 CarbonylContact O-C 3.5Å; A281-D284 PolarHBondContact O-N 3.01Å; A281-D284 VanDerWaalsContact O-N 3.13Å; A281-F285 HydrophobicContact CB-CE2 4.33Å; A281-F285 WeakPolarHBondContact O-CB 3.35Å; A281-F285 WeakPolarHBondContact O-CG 3.13Å; A281-F285 PolarHBondContact O-N 2.63Å
282	L	94.2	Very high	92.6	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-41.9	174.8	-76.6	175.7	0	0	0	111.9	A188 T278 F285 T286 L315 C413	A188-L282 HydrophobicContact CB-CD2 3.98Å; A188-L282 HydrophobicContact CB-CG 3.87Å; T278-L282 HydrophobicContact CG2-CD1 3.96Å; T278-L282 HydrophobicContact CG2-CG 4.16Å; T278-L282 WeakPolarHBondContact O-CG 3.49Å; T278-L282 PolarHBondContact O-N 3.12Å; L282-F285 PolarHBondContact O-N 3.42Å; L282-T286 WeakPolarHBondContact O-CB 3.39Å; L282-T286 WeakPolarHBondContact O-CG2 3.37Å; L282-T286 PolarHBondContact O-N 3.3Å; L282-T286 PolarHBondContact O-OG1 3.3Å; L282-L315 HydrophobicContact CD2-CD1 4Å; L282-C413 HydrophobicContact CB-CB 4.41Å; L282-C413 HydrophobicContact CD1-CB 4.21Å
283	E	95.1	Very high	92.5	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-43.4	173.1	-76.5	166.9	-171.2	0	0	111.8	S279 A281 F285 T286 G287 G288 R538 R569	S279-E283 WeakPolarHBondContact O-CB 3.26Å; S279-E283 WeakPolarHBondContact O-CG 3.39Å; S279-E283 PolarHBondContact O-N 3.38Å; A281-E283 VanDerWaalsContact C-N 3.31Å; A281-E283 PolarHBondContact O-N 3.38Å; E283-F285 VanDerWaalsContact C-N 3.29Å; E283-F285 PolarHBondContact O-N 2.73Å; E283-T286 PolarHBondContact O-N 2.79Å; E283-G287 VanDerWaalsContact O-CA 3.27Å; E283-G287 WeakPolarHBondContact O-CA 3.02Å; E283-G287 PolarHBondContact O-N 3.33Å; E283-G288 WeakPolarHBondContact CG-O 3.47Å; E283-R538 IonicContact OE2-CZ 2.57Å; E283-R538 IonicContact OE2-NE 3.52Å; E283-R538 PolarHBondContact OE2-NE 3.11Å; E283-R538 IonicContact OE2-NH2 3.36Å; E283-R538 PolarHBondContact OE2-NH2 3.49Å; E283-R569 IonicContact OE1-NH2 2.67Å; E283-R569 PolarHBondContact OE1-NH2 2.89Å
284	D	96.3	Very high	92.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-72.5	-23.2	179	-66.7	-0.7	0	0	0	112.3	F221 W222 Y263 H267 E280 A281 R538	F221-D284 CarbonylContact C-O 3.57Å; F221-D284 WeakPolarHBondContact CA-O 3.47Å; W222-D284 PolarHBondContact N-O 2.74Å; Y263-D284 HydrophobicContact CE2-CB 3.97Å; Y263-D284 PolarHBondContact OH-OD2 3.2Å; H267-D284 IonicContact NE2-OD2 2.66Å; E280-D284 VanDerWaalsContact O-CG 3.3Å; E280-D284 PolarHBondContact O-N 2.74Å; E280-D284 VanDerWaalsContact O-N 3.15Å; A281-D284 CarbonylContact O-C 3.5Å; A281-D284 PolarHBondContact O-N 3.01Å; A281-D284 VanDerWaalsContact O-N 3.13Å; D284-R538 IonicContact OD1-CZ 3.25Å; D284-R538 VanDerWaalsContact OD1-CZ 3.25Å; D284-R538 IonicContact OD1-NH1 3.67Å; D284-R538 PolarHBondContact OD1-NH1 3.3Å; D284-R538 IonicContact OD1-NH2 3.33Å; D284-R538 PolarHBondContact OD1-NH2 3.46Å; D284-R538 IonicContact OD2-NH1 3.11Å; D284-R538 PolarHBondContact OD2-NH1 2.77Å
285	F	96.8	Very high	92.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-89.4	-17.7	177.8	-67.5	-10.7	0	0	0	113.9	L185 A188 A189 L192 V202 F221 W227 L259 Y263 A281 L282 E283	L185-F285 HydrophobicContact CD1-CE1 4.15Å; L185-F285 HydrophobicContact CD1-CE2 4.09Å; L185-F285 HydrophobicContact CD1-CZ 3.4Å; A188-F285 HydrophobicContact CB-CD2 3.98Å; A188-F285 HydrophobicContact CB-CE2 3.89Å; A189-F285 HydrophobicContact CB-CE2 4.03Å; L192-F285 HydrophobicContact CB-CD2 4.47Å; L192-F285 HydrophobicContact CD1-CB 4.22Å; L192-F285 HydrophobicContact CD2-CB 4.29Å; L192-F285 HydrophobicContact CD2-CD2 4.08Å; L192-F285 HydrophobicContact CD2-CG 4.23Å; V202-F285 HydrophobicContact CG1-CD1 4.22Å; V202-F285 HydrophobicContact CG2-CB 4Å; V202-F285 HydrophobicContact CG2-CD1 4.44Å; V202-F285 HydrophobicContact CG2-CG 4.42Å; V202-F285 WeakPolarHBondContact CG2-O 3.49Å; F221-F285 AromaticContact CD1-CD1 3.82Å; F221-F285 HydrophobicContact CD1-CD1 3.82Å; F221-F285 AromaticContact CD1-CE1 3.79Å; F221-F285 HydrophobicContact CD1-CE1 3.79Å; F221-F285 AromaticContact CE1-CD1 3.98Å; F221-F285 HydrophobicContact CE1-CD1 3.98Å; F221-F285 AromaticContact CE1-CE1 3.53Å; F221-F285 HydrophobicContact CE1-CE1 3.53Å; W227-F285 WeakPolarHBondContact CH2-O 3.46Å; L259-F285 HydrophobicContact CD2-CZ 4.31Å; Y263-F285 HydrophobicContact CD2-CE1 4.07Å; Y263-F285 HydrophobicContact CE2-CE1 4.06Å; A281-F285 HydrophobicContact CB-CE2 4.33Å; A281-F285 WeakPolarHBondContact O-CB 3.35Å; A281-F285 WeakPolarHBondContact O-CG 3.13Å; A281-F285 PolarHBondContact O-N 2.63Å; L282-F285 PolarHBondContact O-N 3.42Å; E283-F285 VanDerWaalsContact C-N 3.29Å; E283-F285 PolarHBondContact O-N 2.73Å
286	T	94.9	Very high	92.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-129.3	-21.5	-172.4	67.2	0	0	0	0	114	L198 L282 E283 G288 L315 C413 L415 V419	L198-T286 HydrophobicContact CD1-CG2 4.16Å; L282-T286 WeakPolarHBondContact O-CB 3.39Å; L282-T286 WeakPolarHBondContact O-CG2 3.37Å; L282-T286 PolarHBondContact O-N 3.3Å; L282-T286 PolarHBondContact O-OG1 3.3Å; E283-T286 PolarHBondContact O-N 2.79Å; T286-G288 PolarHBondContact O-N 3.15Å; T286-G288 PolarHBondContact OG1-N 3.08Å; T286-L315 HydrophobicContact CG2-CD1 3.96Å; T286-C413 PolarHBondContact OG1-SG 3.45Å; T286-C413 VanDerWaalsContact OG1-SG 3.34Å; T286-L415 HydrophobicContact CG2-CD2 4.18Å; T286-V419 WeakPolarHBondContact O-CG2 3.31Å
287	G	94.1	Very high	92.6	Very high	10 Å²	10	27.7 Å²	27.7	10%	0.103	15%	0.151	C	C	.	.			trans	67.9	6.5	-164.8	0	0	0	0	0	114.2	W222 E283	W222-G287 VanDerWaalsContact CD1-CA 3.45Å; E283-G287 VanDerWaalsContact O-CA 3.27Å; E283-G287 WeakPolarHBondContact O-CA 3.02Å; E283-G287 PolarHBondContact O-N 3.33Å
288	G	94.7	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.			trans	-72.6	175.2	179.4	0	0	0	0	0	113.7	E283 T286 N414 R569	E283-G288 WeakPolarHBondContact CG-O 3.47Å; T286-G288 PolarHBondContact O-N 3.15Å; T286-G288 PolarHBondContact OG1-N 3.08Å; G288-N414 CarbonylContact C-O 3.42Å; G288-N414 WeakPolarHBondContact CA-O 3.35Å; G288-R569 PolarHBondContact O-NH1 3.02Å; G288-R569 PolarHBondContact O-NH2 2.92Å
289	L	94.8	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.3	173.4	-175.2	160.4	0	0	0	109.8	E291 N414 I486 C541 R569 F571	L289-E291 HydrophobicContact CD2-CG 3.89Å; L289-N414 PolarHBondContact N-O 2.8Å; L289-N414 PolarHBondContact O-N 3.05Å; L289-N414 PolarHBondContact O-ND2 2.69Å; L289-I486 HydrophobicContact CD1-CG2 4.34Å; L289-I486 HydrophobicContact CD2-CG2 3.51Å; L289-C541 HydrophobicContact CD2-CB 4.1Å; L289-R569 HydrophobicContact CD1-CB 3.92Å; L289-F571 HydrophobicContact CB-CD2 4.01Å; L289-F571 HydrophobicContact CB-CE1 4.22Å; L289-F571 HydrophobicContact CB-CE2 3.62Å; L289-F571 HydrophobicContact CB-CG 4.5Å; L289-F571 HydrophobicContact CB-CZ 3.74Å; L289-F571 HydrophobicContact CD1-CD2 3.59Å; L289-F571 HydrophobicContact CD1-CE2 3.83Å; L289-F571 HydrophobicContact CD1-CG 4.37Å; L289-F571 HydrophobicContact CG-CD2 4.43Å; L289-F571 HydrophobicContact CG-CE2 4.39Å
290	T	94.5	Very high	92.4	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.1	-176.9	-51.5	0	0	0	0	111.6	E411 I412 C413 C541	T290-E411 HydrophobicContact CG2-CB 4.21Å; T290-I412 CarbonylContact C-O 3.59Å; T290-I412 WeakPolarHBondContact CA-O 3.22Å; T290-C413 HydrophobicContact CG2-CB 4.41Å; T290-C541 PolarHBondContact O-SG 3.35Å
291	E	92.3	Very high	92.2	Very high	8 Å²	8	42 Å²	42	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.1	172.5	-64.2	175.1	-81.3	0	0	111.1	L289 E411 I412 N414 I486 C541 R543	L289-E291 HydrophobicContact CD2-CG 3.89Å; E291-E411 CarbonylContact O-C 3.6Å; E291-E411 VanDerWaalsContact O-CA 3.23Å; E291-E411 WeakPolarHBondContact O-CA 3.29Å; E291-I412 PolarHBondContact N-O 2.82Å; E291-I412 PolarHBondContact O-N 3.43Å; E291-N414 PolarHBondContact OE1-ND2 2.96Å; E291-I486 VanDerWaalsContact CD-CD1 3.48Å; E291-I486 HydrophobicContact CG-CD1 4.42Å; E291-I486 HydrophobicContact CG-CG2 3.74Å; E291-I486 WeakPolarHBondContact OE1-CD1 3.31Å; E291-I486 WeakPolarHBondContact OE2-CG1 3.17Å; E291-C541 VanDerWaalsContact CA-SG 3.58Å; E291-R543 IonicContact OE1-CZ 2.6Å; E291-R543 IonicContact OE1-NE 3.39Å; E291-R543 IonicContact OE1-NH2 3.23Å; E291-R543 PolarHBondContact OE1-NH2 2.77Å; E291-R543 WeakPolarHBondContact OE2-CB 3.47Å; E291-R543 IonicContact OE2-CZ 3.71Å; E291-R543 IonicContact OE2-NE 3.9Å; E291-R543 PolarHBondContact OE2-NE 3.16Å; E291-R543 IonicContact OE2-NH2 2.79Å
292	L	90.1	Very high	92.1	Very high	101 Å²	101	42.3 Å²	42.3	53%	0.529	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	171.8	-178.7	68.9	0	0	0	109.7	K409 E411	L292-K409 HydrophobicContact CD1-CB 4.17Å; L292-E411 HydrophobicContact CD1-CG 3.67Å
293	I	90.4	Very high	91.9	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.9	179	-58.4	161.3	0	0	0	108.1	L295 M305 K409 L410 I412	I293-L295 HydrophobicContact CG2-CD2 4.23Å; I293-L295 PolarHBondContact O-N 3.27Å; I293-M305 HydrophobicContact CD1-CE 3.37Å; I293-M305 HydrophobicContact CG1-CE 4.14Å; I293-K409 WeakPolarHBondContact O-CA 3.43Å; I293-L410 HydrophobicContact CB-CB 4.31Å; I293-L410 HydrophobicContact CD1-CD2 3.94Å; I293-L410 HydrophobicContact CD1-CG 4.36Å; I293-L410 PolarHBondContact N-O 3.04Å; I293-L410 PolarHBondContact O-N 3.24Å; I293-I412 HydrophobicContact CD1-CD1 3.6Å; I293-I412 HydrophobicContact CD1-CG1 4.15Å
294	D	90.4	Very high	91.7	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.8	167.7	-170.6	-26.5	0	0	0	108.8	T296 E297 A298	D294-T296 VanDerWaalsContact C-N 3.3Å; D294-T296 WeakPolarHBondContact OD1-CA 3.42Å; D294-T296 VanDerWaalsContact OD1-CB 3.29Å; D294-T296 WeakPolarHBondContact OD1-CB 3.27Å; D294-T296 PolarHBondContact OD1-N 3.18Å; D294-T296 PolarHBondContact OD1-OG1 2.86Å; D294-T296 PolarHBondContact OD2-OG1 3.31Å; D294-E297 CarbonylContact O-C 3.6Å; D294-E297 PolarHBondContact OD1-N 3.02Å; D294-A298 WeakPolarHBondContact O-CA 3.46Å; D294-A298 PolarHBondContact O-N 3.01Å
295	L	91.9	Very high	91.4	Very high	8 Å²	8	49 Å²	49	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	-77.5	-18.8	-179.4	-61.2	177.3	0	0	0	112.1	I293 E297 A298 F403 M404 F407 E408 L410	I293-L295 HydrophobicContact CG2-CD2 4.23Å; I293-L295 PolarHBondContact O-N 3.27Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-A298 WeakPolarHBondContact O-CB 3.45Å; L295-A298 PolarHBondContact O-N 3.5Å; L295-F403 HydrophobicContact CD1-CE1 3.69Å; L295-F403 HydrophobicContact CD1-CZ 3.72Å; L295-F403 HydrophobicContact CD2-CE1 4.34Å; L295-M404 HydrophobicContact CB-CE 4.2Å; L295-M404 HydrophobicContact CD2-CE 3.94Å; L295-M404 HydrophobicContact CD2-SD 3.93Å; L295-F407 WeakPolarHBondContact CB-O 3.36Å; L295-F407 HydrophobicContact CD1-CB 3.63Å; L295-E408 WeakPolarHBondContact CB-O 3.43Å; L295-E408 PolarHBondContact N-O 2.77Å; L295-L410 HydrophobicContact CD1-CB 4.11Å; L295-L410 HydrophobicContact CD2-CB 3.85Å; L295-L410 HydrophobicContact CD2-CD2 4.37Å; L295-L410 HydrophobicContact CG-CB 4.09Å
296	T	90.1	Very high	91.2	Very high	93 Å²	93	49 Å²	49	57%	0.571	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.9	175.1	75.7	0	0	0	0	111.8	D294 E408	D294-T296 VanDerWaalsContact C-N 3.3Å; D294-T296 WeakPolarHBondContact OD1-CA 3.42Å; D294-T296 VanDerWaalsContact OD1-CB 3.29Å; D294-T296 WeakPolarHBondContact OD1-CB 3.27Å; D294-T296 PolarHBondContact OD1-N 3.18Å; D294-T296 PolarHBondContact OD1-OG1 2.86Å; D294-T296 PolarHBondContact OD2-OG1 3.31Å; T296-E408 HydrophobicContact CG2-CB 4.13Å; T296-E408 HydrophobicContact CG2-CG 4.09Å
297	E	89.7	Confident	91.1	Very high	166 Å²	166	50.9 Å²	50.9	78%	0.776	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	39.7	172.7	-62.5	-167.7	170.6	0	0	111.7	D294 L295	D294-E297 CarbonylContact O-C 3.6Å; D294-E297 PolarHBondContact OD1-N 3.02Å; L295-E297 VanDerWaalsContact C-N 3.29Å
298	A	89.3	Confident	90.8	Very high	34 Å²	34	53.2 Å²	53.2	28%	0.281	28%	0.281	S	S	.	.			trans	-59.5	143.2	-171.2	0	0	0	0	0	114.3	D294 L295 A302 M404	D294-A298 WeakPolarHBondContact O-CA 3.46Å; D294-A298 PolarHBondContact O-N 3.01Å; L295-A298 WeakPolarHBondContact O-CB 3.45Å; L295-A298 PolarHBondContact O-N 3.5Å; A298-A302 HydrophobicContact CB-CB 4.29Å; A298-M404 HydrophobicContact CB-CE 3.22Å
299	P	86.9	Confident	90.6	Very high	52 Å²	52	53.3 Å²	53.3	34%	0.338	28%	0.282	S	S	.	.			trans	-66.5	149.4	172.1	31.1	-36	0	0	0	110.6	N301 A302 M305	P299-N301 WeakPolarHBondContact CB-OD1 3.47Å; P299-N301 PolarHBondContact O-N 2.9Å; P299-A302 HydrophobicContact CG-CB 4.24Å; P299-A302 VanDerWaalsContact O-CB 3.27Å; P299-A302 WeakPolarHBondContact O-CB 3.37Å; P299-A302 PolarHBondContact O-N 3.37Å; P299-M305 HydrophobicContact CB-SD 4.49Å; P299-M305 HydrophobicContact CG-CE 4.4Å; P299-M305 HydrophobicContact CG-SD 3.66Å
300	K	87.6	Confident	90.4	Very high	223 Å²	223	56 Å²	56	97%	0.97	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27	-177.3	-67	-176	-179.7	178.3	0	113.6
301	N	88.1	Confident	90.1	Very high	78 Å²	78	59.9 Å²	59.9	42%	0.417	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	17.8	179	65.8	-37.5	0	0	0	113.2	P299 M303 A304 M305	P299-N301 WeakPolarHBondContact CB-OD1 3.47Å; P299-N301 PolarHBondContact O-N 2.9Å; N301-M303 PolarHBondContact O-N 3.38Å; N301-M303 VanDerWaalsContact O-N 3.15Å; N301-A304 HydrophobicContact CB-CB 4.46Å; N301-A304 PolarHBondContact O-N 3.08Å; N301-M305 WeakPolarHBondContact O-CG 3.4Å; N301-M305 PolarHBondContact O-N 3.23Å
302	A	91.4	Very high	89.9	Confident	7 Å²	7	59.9 Å²	59.9	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-52.3	-37.5	179.7	0	0	0	0	0	113.2	A298 P299 M305 V306 F400 M404	A298-A302 HydrophobicContact CB-CB 4.29Å; P299-A302 HydrophobicContact CG-CB 4.24Å; P299-A302 VanDerWaalsContact O-CB 3.27Å; P299-A302 WeakPolarHBondContact O-CB 3.37Å; P299-A302 PolarHBondContact O-N 3.37Å; A302-M305 WeakPolarHBondContact O-CB 3.21Å; A302-M305 PolarHBondContact O-N 3.23Å; A302-V306 WeakPolarHBondContact O-CG2 3.36Å; A302-V306 PolarHBondContact O-N 3.08Å; A302-F400 HydrophobicContact CB-CZ 4.29Å; A302-M404 HydrophobicContact CB-CE 4.45Å; A302-M404 HydrophobicContact CB-SD 4.48Å
303	M	91.5	Very high	89.8	Confident	73 Å²	73	55.1 Å²	55.1	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-54.2	174.9	-172.1	-175.8	-68.9	0	0	111.3	N301 M305 V306 F307 P350 F400	N301-M303 PolarHBondContact O-N 3.38Å; N301-M303 VanDerWaalsContact O-N 3.15Å; M303-M305 PolarHBondContact O-N 3.45Å; M303-V306 PolarHBondContact O-N 3.03Å; M303-F307 HydrophobicContact CG-CD2 3.88Å; M303-F307 HydrophobicContact CG-CE2 3.78Å; M303-F307 VanDerWaalsContact O-CD2 3.28Å; M303-F307 WeakPolarHBondContact O-CD2 3.36Å; M303-F307 PolarHBondContact O-N 3.16Å; M303-P350 HydrophobicContact CE-CB 4.08Å; M303-P350 HydrophobicContact CE-CG 3.43Å; M303-P350 VanDerWaalsContact CE-CG 3.43Å; M303-P350 HydrophobicContact SD-CB 3.97Å; M303-P350 HydrophobicContact SD-CG 3.82Å; M303-F400 HydrophobicContact CB-CD1 4.1Å; M303-F400 HydrophobicContact CB-CE1 3.62Å; M303-F400 HydrophobicContact CB-CE2 4.1Å; M303-F400 HydrophobicContact CB-CZ 3.64Å; M303-F400 HydrophobicContact CE-CB 4.1Å; M303-F400 HydrophobicContact CE-CD1 3.3Å; M303-F400 HydrophobicContact CE-CE1 3.9Å; M303-F400 HydrophobicContact CE-CG 3.78Å; M303-F400 HydrophobicContact CG-CD1 4.15Å; M303-F400 HydrophobicContact CG-CD2 4.23Å; M303-F400 HydrophobicContact CG-CE1 4.16Å; M303-F400 HydrophobicContact CG-CE2 4.26Å; M303-F400 HydrophobicContact CG-CG 4.19Å; M303-F400 HydrophobicContact CG-CZ 4.24Å
304	A	89	Confident	89.9	Confident	62 Å²	62	54.6 Å²	54.6	51%	0.512	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-34.8	177.9	0	0	0	0	0	111.8	N301 R308	N301-A304 HydrophobicContact CB-CB 4.46Å; N301-A304 PolarHBondContact O-N 3.08Å; A304-R308 WeakPolarHBondContact O-CB 3.05Å; A304-R308 PolarHBondContact O-N 2.86Å
305	M	90.6	Very high	90	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.059	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-44.7	175.1	-67.2	169.8	56.7	0	0	112.6	I293 P299 N301 A302 M303 R308 A309	I293-M305 HydrophobicContact CD1-CE 3.37Å; I293-M305 HydrophobicContact CG1-CE 4.14Å; P299-M305 HydrophobicContact CB-SD 4.49Å; P299-M305 HydrophobicContact CG-CE 4.4Å; P299-M305 HydrophobicContact CG-SD 3.66Å; N301-M305 WeakPolarHBondContact O-CG 3.4Å; N301-M305 PolarHBondContact O-N 3.23Å; A302-M305 WeakPolarHBondContact O-CB 3.21Å; A302-M305 PolarHBondContact O-N 3.23Å; M303-M305 PolarHBondContact O-N 3.45Å; M305-R308 PolarHBondContact O-N 2.81Å; M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 3.16Å
306	V	93.2	Very high	90.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-45	177.6	169.5	0	0	0	0	111.2	A302 M303 A309 F310 M316 V341 L352 F400 L410	A302-V306 WeakPolarHBondContact O-CG2 3.36Å; A302-V306 PolarHBondContact O-N 3.08Å; M303-V306 PolarHBondContact O-N 3.03Å; V306-A309 PolarHBondContact O-N 3.18Å; V306-F310 PolarHBondContact O-N 3.39Å; V306-M316 HydrophobicContact CG1-SD 4.1Å; V306-V341 HydrophobicContact CG1-CG1 4.32Å; V306-V341 HydrophobicContact CG1-CG2 3.81Å; V306-L352 HydrophobicContact CG1-CD2 3.83Å; V306-F400 HydrophobicContact CB-CE2 4.27Å; V306-F400 HydrophobicContact CG2-CE2 4.08Å; V306-L410 HydrophobicContact CG2-CD2 3.49Å; V306-L410 VanDerWaalsContact CG2-CD2 3.49Å
307	F	91.6	Very high	90.1	Very high	40 Å²	40	47 Å²	47	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-47.6	176.4	-84.1	-101.9	0	0	0	111.3	M303 A309 F310 E311 V341 T343 P350	M303-F307 HydrophobicContact CG-CD2 3.88Å; M303-F307 HydrophobicContact CG-CE2 3.78Å; M303-F307 VanDerWaalsContact O-CD2 3.28Å; M303-F307 WeakPolarHBondContact O-CD2 3.36Å; M303-F307 PolarHBondContact O-N 3.16Å; F307-A309 VanDerWaalsContact C-N 3.32Å; F307-A309 PolarHBondContact O-N 3.13Å; F307-F310 WeakPolarHBondContact O-CB 3.46Å; F307-F310 PolarHBondContact O-N 2.72Å; F307-E311 WeakPolarHBondContact O-CB 3.49Å; F307-E311 WeakPolarHBondContact O-CG 3.36Å; F307-E311 PolarHBondContact O-N 2.77Å; F307-V341 HydrophobicContact CD1-CG1 3.61Å; F307-V341 HydrophobicContact CD2-CG1 3.48Å; F307-V341 VanDerWaalsContact CD2-CG1 3.48Å; F307-V341 HydrophobicContact CE1-CG1 3.43Å; F307-V341 VanDerWaalsContact CE1-CG1 3.43Å; F307-V341 HydrophobicContact CE2-CG1 3.33Å; F307-V341 HydrophobicContact CG-CG1 3.64Å; F307-V341 HydrophobicContact CZ-CG1 3.31Å; F307-T343 HydrophobicContact CE1-CG2 3.48Å; F307-T343 VanDerWaalsContact CE1-CG2 3.48Å; F307-T343 HydrophobicContact CZ-CG2 3.52Å; F307-P350 HydrophobicContact CE2-CB 3.95Å; F307-P350 HydrophobicContact CZ-CB 3.87Å
308	R	88.4	Confident	90.1	Very high	58 Å²	58	39.2 Å²	39.2	22%	0.219	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-37.7	177.6	-171.3	58.3	169.1	168	-0.6	112.2	A304 M305 E311 L312 D434 D475	A304-R308 WeakPolarHBondContact O-CB 3.05Å; A304-R308 PolarHBondContact O-N 2.86Å; M305-R308 PolarHBondContact O-N 2.81Å; R308-E311 WeakPolarHBondContact CD-OE2 3.42Å; R308-E311 IonicContact NH1-OE2 3.37Å; R308-E311 PolarHBondContact NH1-OE2 3Å; R308-E311 VanDerWaalsContact NH1-OE2 3.11Å; R308-E311 CarbonylContact O-C 3.56Å; R308-E311 WeakPolarHBondContact O-CB 3.29Å; R308-E311 PolarHBondContact O-N 3.32Å; R308-L312 HydrophobicContact CG-CD1 3.96Å; R308-L312 HydrophobicContact CG-CG 4.44Å; R308-L312 WeakPolarHBondContact O-CB 3.39Å; R308-L312 VanDerWaalsContact O-CG 3.29Å; R308-L312 WeakPolarHBondContact O-CG 3.41Å; R308-L312 PolarHBondContact O-N 3.02Å; R308-D434 IonicContact CZ-OD2 3.13Å; R308-D434 IonicContact NH1-OD2 2.71Å; R308-D434 PolarHBondContact NH1-OD2 2.77Å; R308-D434 IonicContact NH2-OD2 3.75Å; R308-D434 PolarHBondContact NH2-OD2 3.23Å; R308-D475 IonicContact NH2-OD2 3.2Å
309	A	91.5	Very high	89.9	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-44.5	175.1	0	0	0	0	0	111.5	M305 V306 F307 E311 L312 G313 S314 M316 I412	M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 3.16Å; V306-A309 PolarHBondContact O-N 3.18Å; F307-A309 VanDerWaalsContact C-N 3.32Å; F307-A309 PolarHBondContact O-N 3.13Å; A309-E311 VanDerWaalsContact C-N 3.34Å; A309-E311 PolarHBondContact O-N 3.39Å; A309-L312 PolarHBondContact O-N 3.47Å; A309-G313 PolarHBondContact O-N 3.45Å; A309-G313 VanDerWaalsContact O-N 3.15Å; A309-S314 WeakPolarHBondContact O-CB 3.42Å; A309-S314 PolarHBondContact O-N 3.04Å; A309-S314 PolarHBondContact O-OG 3.2Å; A309-M316 HydrophobicContact CB-CG 4.37Å; A309-M316 HydrophobicContact CB-SD 3.71Å; A309-I412 HydrophobicContact CB-CD1 4.09Å; A309-I412 HydrophobicContact CB-CG2 3.6Å
310	F	90.4	Very high	89.6	Confident	55 Å²	55	38.5 Å²	38.5	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-43.5	172.8	-175.9	-109.1	0	0	0	111.8	V306 F307 L312 G313 M316 V339 Q340 V341 R432	V306-F310 PolarHBondContact O-N 3.39Å; F307-F310 WeakPolarHBondContact O-CB 3.46Å; F307-F310 PolarHBondContact O-N 2.72Å; F310-L312 VanDerWaalsContact C-N 3.3Å; F310-L312 PolarHBondContact O-N 2.89Å; F310-G313 PolarHBondContact O-N 2.98Å; F310-G313 VanDerWaalsContact O-N 3.08Å; F310-M316 HydrophobicContact CB-CE 3.87Å; F310-M316 HydrophobicContact CD2-CE 4.31Å; F310-V339 WeakPolarHBondContact CE2-O 3.43Å; F310-Q340 HydrophobicContact CZ-CG 4.06Å; F310-V341 HydrophobicContact CB-CB 4.09Å; F310-V341 HydrophobicContact CB-CG2 3.79Å; F310-V341 HydrophobicContact CD1-CB 4.04Å; F310-V341 HydrophobicContact CD1-CG2 4.49Å; F310-V341 HydrophobicContact CD2-CG2 4.17Å; F310-V341 HydrophobicContact CG-CB 3.96Å; F310-V341 HydrophobicContact CG-CG2 3.9Å; F310-R432 PolarHBondContact O-NH2 3.26Å
311	E	87.4	Confident	88.6	Confident	89 Å²	89	31 Å²	31	42%	0.416	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-32.1	175.4	-76.9	175.5	-173	0	0	113.7	F307 R308 A309 G313 R432	F307-E311 WeakPolarHBondContact O-CB 3.49Å; F307-E311 WeakPolarHBondContact O-CG 3.36Å; F307-E311 PolarHBondContact O-N 2.77Å; R308-E311 WeakPolarHBondContact CD-OE2 3.42Å; R308-E311 IonicContact NH1-OE2 3.37Å; R308-E311 PolarHBondContact NH1-OE2 3Å; R308-E311 VanDerWaalsContact NH1-OE2 3.11Å; R308-E311 CarbonylContact O-C 3.56Å; R308-E311 WeakPolarHBondContact O-CB 3.29Å; R308-E311 PolarHBondContact O-N 3.32Å; A309-E311 VanDerWaalsContact C-N 3.34Å; A309-E311 PolarHBondContact O-N 3.39Å; E311-G313 VanDerWaalsContact C-N 3.28Å; E311-R432 VanDerWaalsContact C-NH1 3.3Å; E311-R432 VanDerWaalsContact CA-NH1 3.27Å; E311-R432 WeakPolarHBondContact O-CD 3.41Å; E311-R432 PolarHBondContact O-NE 2.85Å; E311-R432 PolarHBondContact O-NH1 2.9Å
312	L	87.7	Confident	87	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.042	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	0.7	177.2	-67.6	172.5	0	0	0	112.4	R308 A309 F310 S314 D434 W436	R308-L312 HydrophobicContact CG-CD1 3.96Å; R308-L312 HydrophobicContact CG-CG 4.44Å; R308-L312 WeakPolarHBondContact O-CB 3.39Å; R308-L312 VanDerWaalsContact O-CG 3.29Å; R308-L312 WeakPolarHBondContact O-CG 3.41Å; R308-L312 PolarHBondContact O-N 3.02Å; A309-L312 PolarHBondContact O-N 3.47Å; F310-L312 VanDerWaalsContact C-N 3.3Å; F310-L312 PolarHBondContact O-N 2.89Å; L312-S314 VanDerWaalsContact C-N 3.35Å; L312-D434 HydrophobicContact CD2-CB 3.83Å; L312-W436 HydrophobicContact CD1-CD2 4.28Å; L312-W436 HydrophobicContact CD1-CH2 4.43Å; L312-W436 HydrophobicContact CD1-CZ2 3.63Å
313	G	88.1	Confident	84.9	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.021	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	25.4	180	0	0	0	0	0	113.6	K195 A309 F310 E311 L415	K195-G313 PolarHBondContact NZ-O 3.25Å; A309-G313 PolarHBondContact O-N 3.45Å; A309-G313 VanDerWaalsContact O-N 3.15Å; F310-G313 PolarHBondContact O-N 2.98Å; F310-G313 VanDerWaalsContact O-N 3.08Å; E311-G313 VanDerWaalsContact C-N 3.28Å; G313-L415 WeakPolarHBondContact O-CD1 3.43Å
314	S	92.4	Very high	82.4	Confident	5 Å²	5	37.3 Å²	37.3	4%	0.035	21%	0.209	C	C	.	.			trans	-61.4	154	171	-58.1	0	0	0	0	111.5	K195 A309 L312 C413 N414	K195-S314 PolarHBondContact NZ-O 3.22Å; A309-S314 WeakPolarHBondContact O-CB 3.42Å; A309-S314 PolarHBondContact O-N 3.04Å; A309-S314 PolarHBondContact O-OG 3.2Å; L312-S314 VanDerWaalsContact C-N 3.35Å; S314-C413 VanDerWaalsContact CA-O 3.23Å; S314-C413 WeakPolarHBondContact CA-O 3.07Å; S314-C413 VanDerWaalsContact CB-O 3.26Å; S314-C413 WeakPolarHBondContact CB-O 3.43Å; S314-N414 PolarHBondContact OG-OD1 3.1Å
315	L	92.9	Very high	79.9	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.2	162.1	-64.5	174.3	0	0	0	108.2	L194 K195 L198 L282 T286 C413	L194-L315 HydrophobicContact CB-CD2 4.36Å; K195-L315 HydrophobicContact CD-CD2 3.86Å; K195-L315 HydrophobicContact CG-CD2 4.06Å; L198-L315 HydrophobicContact CD1-CD1 3.93Å; L198-L315 HydrophobicContact CD1-CD2 4.36Å; L198-L315 HydrophobicContact CD1-CG 4.16Å; L282-L315 HydrophobicContact CD2-CD1 4Å; T286-L315 HydrophobicContact CG2-CD1 3.96Å; L315-C413 HydrophobicContact CB-CB 4.22Å; L315-C413 PolarHBondContact N-O 2.88Å; L315-C413 VanDerWaalsContact N-O 3.1Å; L315-C413 PolarHBondContact O-N 2.69Å
316	M	93.4	Very high	77.1	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.6	-175.7	-69.9	-178.5	-72	0	0	110.6	V306 A309 F310 D337 V338 V341 L410 E411 I412	V306-M316 HydrophobicContact CG1-SD 4.1Å; A309-M316 HydrophobicContact CB-CG 4.37Å; A309-M316 HydrophobicContact CB-SD 3.71Å; F310-M316 HydrophobicContact CB-CE 3.87Å; F310-M316 HydrophobicContact CD2-CE 4.31Å; M316-D337 CarbonylContact O-C 3.45Å; M316-D337 WeakPolarHBondContact O-CA 3.28Å; M316-V338 HydrophobicContact CB-CB 3.9Å; M316-V338 HydrophobicContact CB-CG2 4.46Å; M316-V338 HydrophobicContact CE-CB 4.22Å; M316-V338 HydrophobicContact CE-CG1 3.93Å; M316-V338 PolarHBondContact O-N 2.79Å; M316-V341 HydrophobicContact CE-CG2 4.08Å; M316-L410 HydrophobicContact CB-CD1 4.39Å; M316-E411 CarbonylContact C-O 3.36Å; M316-E411 VanDerWaalsContact CA-O 3.24Å; M316-E411 WeakPolarHBondContact CA-O 3.4Å; M316-I412 HydrophobicContact CG-CG1 4.25Å; M316-I412 HydrophobicContact CG-CG2 4.32Å
317	G	91.1	Very high	74.1	Confident	10 Å²	10	54.2 Å²	54.2	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.7	171.9	0	0	0	0	0	110.5	F336 L410 E411	G317-F336 CarbonylContact C-O 3.41Å; G317-F336 VanDerWaalsContact CA-O 3.27Å; G317-F336 WeakPolarHBondContact CA-O 3.31Å; G317-L410 CarbonylContact O-C 3.44Å; G317-L410 WeakPolarHBondContact O-CA 3.37Å; G317-L410 WeakPolarHBondContact O-CD1 3.26Å; G317-E411 PolarHBondContact N-O 3.19Å; G317-E411 PolarHBondContact O-N 3.04Å
318	C	89.6	Confident	71.2	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.02	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.2	178.2	55.5	0	0	0	0	110.9	S335 F336 F403 F407 K409 L410	C318-S335 CarbonylContact O-C 3.58Å; C318-S335 WeakPolarHBondContact O-CA 3.16Å; C318-F336 PolarHBondContact N-O 3.16Å; C318-F336 PolarHBondContact O-N 3.43Å; C318-F403 HydrophobicContact CB-CE2 3.68Å; C318-F403 HydrophobicContact CB-CZ 3.83Å; C318-F407 HydrophobicContact CB-CD1 3.71Å; C318-F407 HydrophobicContact CB-CE1 4.12Å; C318-F407 HydrophobicContact CB-CG 4.46Å; C318-F407 WeakPolarHBondContact SG-CE1 3.38Å; C318-K409 CarbonylContact C-O 3.54Å; C318-K409 WeakPolarHBondContact CA-O 3.43Å; C318-L410 HydrophobicContact CB-CD1 4.42Å
319	S	85.3	Confident	68.6	Low	22 Å²	22	66.3 Å²	66.3	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.2	-174.6	73.8	0	0	0	0	114.5	C334 E408 K409	S319-C334 VanDerWaalsContact CA-O 3.3Å; S319-C334 WeakPolarHBondContact CA-O 3.43Å; S319-E408 PolarHBondContact O-N 3.37Å; S319-K409 PolarHBondContact N-O 2.91Å; S319-K409 PolarHBondContact O-N 2.87Å
320	I	80.6	Confident	65.8	Low	49 Å²	49	70.9 Å²	70.9	25%	0.251	37%	0.369	S	S	.	.			trans	-110.3	133	172.2	-48.2	176.7	0	0	0	107.6	V322 C334 F336 N406 F407	I320-V322 PolarHBondContact O-N 2.77Å; I320-C334 HydrophobicContact CB-CB 4.02Å; I320-C334 WeakPolarHBondContact O-CB 3.44Å; I320-F336 HydrophobicContact CD1-CE2 4.29Å; I320-N406 WeakPolarHBondContact CG1-O 3.22Å; I320-F407 HydrophobicContact CG1-CD1 4.03Å; I320-F407 HydrophobicContact CG1-CE1 4.24Å; I320-F407 HydrophobicContact CG1-CG 4.44Å
321	D	67.3	Low	63.3	Low	64 Å²	64	73.2 Å²	73.2	34%	0.342	39%	0.387	S	S	.	.			trans	-77.1	119	178	-148.3	-27.4	0	0	0	109.7	L323 E408 K409	D321-L323 PolarHBondContact O-N 3.22Å; D321-E408 WeakPolarHBondContact CB-OE2 3.32Å; D321-K409 IonicContact OD2-NZ 2.84Å
322	V	52.8	Low	61.3	Low	34 Å²	34	72.1 Å²	72.1	21%	0.206	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-77.4	8.2	-166.1	-159.8	0	0	0	0	112.2	I320 S324 L325 C334	I320-V322 PolarHBondContact O-N 2.77Å; V322-S324 PolarHBondContact O-N 2.81Å; V322-L325 HydrophobicContact CG1-CB 3.87Å; V322-L325 PolarHBondContact O-N 3.04Å; V322-C334 HydrophobicContact CG2-CB 4.17Å
323	L	47.3	Very low	59.3	Low	167 Å²	167	73.3 Å²	73.3	87%	0.874	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-55.2	-16.3	170.8	-75.4	170.3	0	0	0	112.9	D321	D321-L323 PolarHBondContact O-N 3.22Å
324	S	40.4	Very low	57.6	Low	91 Å²	91	74.2 Å²	74.2	64%	0.636	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-84.1	-14.1	175.2	57.8	0	0	0	0	115.5	V322	V322-S324 PolarHBondContact O-N 2.81Å
325	L	36.7	Very low	56.5	Low	106 Å²	106	74.9 Å²	74.9	56%	0.555	41%	0.406	S	S	*	.	S	Bend	trans	-127.4	124.6	-179.1	-74.2	156.7	0	0	0	109.1	V322 L327	V322-L325 HydrophobicContact CG1-CB 3.87Å; V322-L325 PolarHBondContact O-N 3.04Å; L325-L327 PolarHBondContact O-N 2.78Å
326	E	30.8	Very low	55.9	Low	204 Å²	204	75.6 Å²	75.6	95%	0.953	41%	0.409	S	S	*	.	S	Bend	trans	-62.3	19.8	-173.7	-66.5	-176.9	143.3	0	0	116.2	S328	E326-S328 PolarHBondContact O-N 3.2Å
327	L	30.8	Very low	55.5	Low	119 Å²	119	75.6 Å²	75.6	62%	0.623	41%	0.409	S	S	*	.			trans	-93.9	62.7	-178.5	-75.6	159.2	0	0	0	112.1	L325 R329	L325-L327 PolarHBondContact O-N 2.78Å; L327-R329 PolarHBondContact O-N 2.82Å
328	S	29.8	Very low	55.4	Low	116 Å²	116	75.4 Å²	75.4	81%	0.811	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	24.7	-177.7	54.9	0	0	0	0	117.1	E326	E326-S328 PolarHBondContact O-N 3.2Å
329	R	33.5	Very low	55.3	Low	236 Å²	236	76.7 Å²	76.7	89%	0.891	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-0.4	175.8	-63.8	-170.9	77.7	126.4	0.6	115.6	L327	L327-R329 PolarHBondContact O-N 2.82Å
330	L	34	Very low	55.5	Low	99 Å²	99	76.8 Å²	76.8	52%	0.518	41%	0.411	S	S	.	.			trans	-111.7	72.9	171	-79.4	162.4	0	0	0	108.2	D332 A333	L330-D332 PolarHBondContact O-N 3.41Å; L330-A333 HydrophobicContact CB-CB 3.54Å; L330-A333 HydrophobicContact CD1-CB 4.38Å; L330-A333 HydrophobicContact CD2-CB 4.41Å; L330-A333 HydrophobicContact CG-CB 4.32Å; L330-A333 PolarHBondContact O-N 2.77Å
331	V	36.8	Very low	55.9	Low	104 Å²	104	74.7 Å²	74.7	63%	0.63	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	121.7	169.6	178.5	0	0	0	0	106.8	C183	C183-V331 PolarHBondContact SG-O 2.82Å; C183-V331 VanDerWaalsContact SG-O 3.35Å
332	D	45.9	Very low	56.9	Low	66 Å²	66	74.5 Å²	74.5	35%	0.353	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	13.6	-176.2	-55.8	-23.5	0	0	0	118.8	L330 C334 S335 W358	L330-D332 PolarHBondContact O-N 3.41Å; D332-C334 PolarHBondContact O-N 2.71Å; D332-S335 PolarHBondContact O-N 3.45Å; D332-S335 PolarHBondContact O-OG 2.79Å; D332-W358 WeakPolarHBondContact O-CH2 3.27Å; D332-W358 WeakPolarHBondContact O-CZ2 3.18Å
333	A	45.3	Very low	58.7	Low	34 Å²	34	75.3 Å²	75.3	28%	0.281	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	21.4	173.1	0	0	0	0	0	115.8	L330 W358	L330-A333 HydrophobicContact CB-CB 3.54Å; L330-A333 HydrophobicContact CD1-CB 4.38Å; L330-A333 HydrophobicContact CD2-CB 4.41Å; L330-A333 HydrophobicContact CG-CB 4.32Å; L330-A333 PolarHBondContact O-N 2.77Å; A333-W358 VanDerWaalsContact C-CZ3 3.43Å
334	C	52.7	Low	60.5	Low	20 Å²	20	68.1 Å²	68.1	14%	0.135	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	14.2	174.6	-65.6	0	0	0	0	113.2	S319 I320 V322 D332 F336	S319-C334 VanDerWaalsContact CA-O 3.3Å; S319-C334 WeakPolarHBondContact CA-O 3.43Å; I320-C334 HydrophobicContact CB-CB 4.02Å; I320-C334 WeakPolarHBondContact O-CB 3.44Å; V322-C334 HydrophobicContact CG2-CB 4.17Å; D332-C334 PolarHBondContact O-N 2.71Å; C334-F336 HydrophobicContact CB-CE2 4.36Å; C334-F336 WeakPolarHBondContact O-CD2 3.47Å; C334-F336 WeakPolarHBondContact O-CE2 3.42Å; C334-F336 PolarHBondContact O-N 3.12Å
335	S	69.2	Low	62.3	Low	20 Å²	20	69 Å²	69	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	108.7	167.4	-47.1	0	0	0	0	112.2	C318 D332 P357 W358	C318-S335 CarbonylContact O-C 3.58Å; C318-S335 WeakPolarHBondContact O-CA 3.16Å; D332-S335 PolarHBondContact O-N 3.45Å; D332-S335 PolarHBondContact O-OG 2.79Å; S335-P357 WeakPolarHBondContact O-CD 3.35Å; S335-P357 WeakPolarHBondContact O-CG 3.41Å; S335-W358 WeakPolarHBondContact O-CH2 3.49Å; S335-W358 WeakPolarHBondContact O-CZ3 3.5Å
336	F	81.4	Confident	63.7	Low	21 Å²	21	67.3 Å²	67.3	9%	0.092	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	165.4	172.8	-57.3	-104.3	0	0	0	110	G317 C318 I320 C334 I354 R355 N356 F396 F407	G317-F336 CarbonylContact C-O 3.41Å; G317-F336 VanDerWaalsContact CA-O 3.27Å; G317-F336 WeakPolarHBondContact CA-O 3.31Å; C318-F336 PolarHBondContact N-O 3.16Å; C318-F336 PolarHBondContact O-N 3.43Å; I320-F336 HydrophobicContact CD1-CE2 4.29Å; C334-F336 HydrophobicContact CB-CE2 4.36Å; C334-F336 WeakPolarHBondContact O-CD2 3.47Å; C334-F336 WeakPolarHBondContact O-CE2 3.42Å; C334-F336 PolarHBondContact O-N 3.12Å; F336-I354 HydrophobicContact CB-CG2 3.33Å; F336-I354 HydrophobicContact CD1-CG2 3.89Å; F336-I354 HydrophobicContact CG-CG2 3.81Å; F336-R355 CarbonylContact C-O 3.44Å; F336-R355 VanDerWaalsContact CA-O 3.28Å; F336-R355 WeakPolarHBondContact CA-O 3.4Å; F336-R355 WeakPolarHBondContact CB-O 3.47Å; F336-N356 HydrophobicContact CD1-CB 3.77Å; F336-N356 HydrophobicContact CE1-CB 3.76Å; F336-F396 HydrophobicContact CD1-CE1 4.1Å; F336-F396 HydrophobicContact CD1-CZ 4.22Å; F336-F396 AromaticContact CE1-CE1 3.98Å; F336-F396 HydrophobicContact CE1-CE1 3.98Å; F336-F396 HydrophobicContact CE1-CZ 4.21Å; F336-F407 HydrophobicContact CB-CE1 4.24Å; F336-F407 AromaticContact CD2-CE1 3.52Å; F336-F407 HydrophobicContact CD2-CE1 3.52Å; F336-F407 AromaticContact CD2-CZ 4Å; F336-F407 HydrophobicContact CD2-CZ 4Å; F336-F407 HydrophobicContact CE2-CE1 4.14Å; F336-F407 HydrophobicContact CE2-CZ 4.41Å; F336-F407 HydrophobicContact CG-CE1 4.09Å; F336-F407 HydrophobicContact CG-CZ 4.33Å
337	D	85	Confident	65.5	Low	3 Å²	3	65.2 Å²	65.2	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.1	170.4	-56.9	-63.3	0	0	0	111	S191 L194 M316 V339 I354 R355	S191-D337 WeakPolarHBondContact CB-OD1 3.47Å; S191-D337 PolarHBondContact OG-OD1 3.14Å; L194-D337 HydrophobicContact CD1-CB 3.65Å; M316-D337 CarbonylContact O-C 3.45Å; M316-D337 WeakPolarHBondContact O-CA 3.28Å; D337-V339 HydrophobicContact CB-CG2 4.21Å; D337-V339 PolarHBondContact O-N 2.68Å; D337-I354 CarbonylContact O-C 3.55Å; D337-I354 VanDerWaalsContact O-CA 3.28Å; D337-I354 WeakPolarHBondContact O-CA 3.2Å; D337-R355 HydrophobicContact CB-CB 4.39Å; D337-R355 PolarHBondContact N-O 2.88Å; D337-R355 PolarHBondContact O-N 3.41Å; D337-R355 IonicContact OD2-CZ 2.61Å; D337-R355 IonicContact OD2-NE 3.03Å; D337-R355 PolarHBondContact OD2-NE 2.92Å; D337-R355 VanDerWaalsContact OD2-NE 3.13Å; D337-R355 IonicContact OD2-NH2 2.88Å; D337-R355 PolarHBondContact OD2-NH2 2.98Å
338	V	87.6	Confident	67.8	Low	6 Å²	6	66.6 Å²	66.6	4%	0.036	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.2	164.9	-179.2	0	0	0	0	107.9	M316 V341 L352 F403	M316-V338 HydrophobicContact CB-CB 3.9Å; M316-V338 HydrophobicContact CB-CG2 4.46Å; M316-V338 HydrophobicContact CE-CB 4.22Å; M316-V338 HydrophobicContact CE-CG1 3.93Å; M316-V338 PolarHBondContact O-N 2.79Å; V338-V341 HydrophobicContact CG1-CG2 3.84Å; V338-L352 HydrophobicContact CG1-CB 4.44Å; V338-L352 HydrophobicContact CG1-CD2 4.21Å; V338-F403 HydrophobicContact CG2-CE2 4.39Å
339	V	88.3	Confident	70.6	Confident	29 Å²	29	62.9 Å²	62.9	18%	0.176	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-35.1	-171	-176.8	0	0	0	0	112.3	L194 F310 D337 R353 R355	L194-V339 HydrophobicContact CD1-CG2 4.41Å; L194-V339 HydrophobicContact CD2-CB 4.22Å; L194-V339 HydrophobicContact CD2-CG1 3.73Å; L194-V339 HydrophobicContact CD2-CG2 3.58Å; F310-V339 WeakPolarHBondContact CE2-O 3.43Å; D337-V339 HydrophobicContact CB-CG2 4.21Å; D337-V339 PolarHBondContact O-N 2.68Å; V339-R353 PolarHBondContact N-O 3.26Å; V339-R355 HydrophobicContact CG2-CB 3.44Å; V339-R355 VanDerWaalsContact CG2-CB 3.44Å; V339-R355 HydrophobicContact CG2-CG 4.36Å
340	Q	89	Confident	73.5	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.1	-179.7	-167.6	174.5	-6.4	0	0	110.3	F310 E342 L352 R353 W397	F310-Q340 HydrophobicContact CZ-CG 4.06Å; Q340-E342 HydrophobicContact CG-CG 4.06Å; Q340-E342 PolarHBondContact NE2-OE1 3.26Å; Q340-L352 WeakPolarHBondContact O-CA 3.18Å; Q340-R353 HydrophobicContact CB-CB 3.82Å; Q340-R353 PolarHBondContact O-N 3.03Å; Q340-W397 HydrophobicContact CB-CH2 4.15Å; Q340-W397 HydrophobicContact CG-CH2 4.03Å
341	V	88.7	Confident	76.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124	179.1	-176.3	0	0	0	0	107.1	V306 F307 F310 M316 V338 L352	V306-V341 HydrophobicContact CG1-CG1 4.32Å; V306-V341 HydrophobicContact CG1-CG2 3.81Å; F307-V341 HydrophobicContact CD1-CG1 3.61Å; F307-V341 HydrophobicContact CD2-CG1 3.48Å; F307-V341 VanDerWaalsContact CD2-CG1 3.48Å; F307-V341 HydrophobicContact CE1-CG1 3.43Å; F307-V341 VanDerWaalsContact CE1-CG1 3.43Å; F307-V341 HydrophobicContact CE2-CG1 3.33Å; F307-V341 HydrophobicContact CG-CG1 3.64Å; F307-V341 HydrophobicContact CZ-CG1 3.31Å; F310-V341 HydrophobicContact CB-CB 4.09Å; F310-V341 HydrophobicContact CB-CG2 3.79Å; F310-V341 HydrophobicContact CD1-CB 4.04Å; F310-V341 HydrophobicContact CD1-CG2 4.49Å; F310-V341 HydrophobicContact CD2-CG2 4.17Å; F310-V341 HydrophobicContact CG-CB 3.96Å; F310-V341 HydrophobicContact CG-CG2 3.9Å; M316-V341 HydrophobicContact CE-CG2 4.08Å; V338-V341 HydrophobicContact CG1-CG2 3.84Å; V341-L352 HydrophobicContact CB-CD2 4.2Å; V341-L352 HydrophobicContact CG1-CD2 3.81Å; V341-L352 HydrophobicContact CG2-CD2 3.77Å
342	E	89.8	Confident	79.1	Confident	60 Å²	60	43 Å²	43	28%	0.28	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.4	-176.3	-73.3	-61.5	169.3	0	0	112.1	Q340 P350 L351 I386 W397	Q340-E342 HydrophobicContact CG-CG 4.06Å; Q340-E342 PolarHBondContact NE2-OE1 3.26Å; E342-P350 CarbonylContact O-C 3.54Å; E342-P350 WeakPolarHBondContact O-CA 3Å; E342-L351 PolarHBondContact N-O 2.94Å; E342-L351 PolarHBondContact O-N 2.77Å; E342-I386 HydrophobicContact CG-CG2 3.91Å; E342-W397 HydrophobicContact CB-CH2 4.44Å; E342-W397 HydrophobicContact CB-CZ3 4.26Å; E342-W397 HydrophobicContact CG-CH2 4.03Å; E342-W397 HydrophobicContact CG-CZ3 4.32Å
343	T	89.5	Confident	81.3	Confident	52 Å²	52	41.7 Å²	41.7	32%	0.319	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.5	166	66.3	0	0	0	0	112	F307 V349 P350	F307-T343 HydrophobicContact CE1-CG2 3.48Å; F307-T343 VanDerWaalsContact CE1-CG2 3.48Å; F307-T343 HydrophobicContact CZ-CG2 3.52Å; T343-V349 WeakPolarHBondContact CA-O 3.26Å; T343-P350 HydrophobicContact CG2-CB 4.42Å
344	L	85.5	Confident	83.5	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	160.1	174.1	-51.7	-178.1	0	0	0	111.8	G346 K348 V349 L351 W368 W375 V378 V382	L344-G346 PolarHBondContact O-N 3.15Å; L344-K348 PolarHBondContact O-N 2.86Å; L344-K348 VanDerWaalsContact O-N 3.16Å; L344-V349 HydrophobicContact CB-CB 4.22Å; L344-V349 PolarHBondContact N-O 3.05Å; L344-V349 PolarHBondContact O-N 3.42Å; L344-V349 VanDerWaalsContact O-N 3.14Å; L344-L351 HydrophobicContact CD1-CD1 3.43Å; L344-L351 VanDerWaalsContact CD1-CD1 3.43Å; L344-L351 HydrophobicContact CD1-CG 4.42Å; L344-L351 HydrophobicContact CG-CD1 3.91Å; L344-W368 HydrophobicContact CD1-CE3 4.39Å; L344-W368 HydrophobicContact CD1-CH2 3.71Å; L344-W368 HydrophobicContact CD1-CZ3 3.54Å; L344-W375 HydrophobicContact CD1-CZ3 4.19Å; L344-V378 HydrophobicContact CD1-CG2 3.82Å; L344-V382 HydrophobicContact CD2-CG1 3.69Å
345	D	77.9	Confident	85.1	Confident	111 Å²	111	39.6 Å²	39.6	59%	0.594	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	44.7	179	-169.6	38	0	0	0	114.1	K348	D345-K348 IonicContact OD1-NZ 2.79Å; D345-K348 WeakPolarHBondContact OD2-CD 3.23Å; D345-K348 IonicContact OD2-NZ 3.25Å; D345-K348 PolarHBondContact OD2-NZ 3.46Å
346	G	66.3	Low	85.7	Confident	70 Å²	70	38.8 Å²	38.8	72%	0.722	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	59.4	179.3	0	0	0	0	0	112	L344 K348	L344-G346 PolarHBondContact O-N 3.15Å; G346-K348 PolarHBondContact O-N 2.98Å
347	E	69.5	Low	85.1	Confident	160 Å²	160	38.1 Å²	38.1	75%	0.748	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	2.3	174.9	-54.5	178.5	173.1	0	0	117.1
348	K	78.6	Confident	84.3	Confident	147 Å²	147	42.2 Å²	42.2	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.6	-174.8	-67	-175.1	-153.1	142.5	0	114.8	L344 D345 G346 P350	L344-K348 PolarHBondContact O-N 2.86Å; L344-K348 VanDerWaalsContact O-N 3.16Å; D345-K348 IonicContact OD1-NZ 2.79Å; D345-K348 WeakPolarHBondContact OD2-CD 3.23Å; D345-K348 IonicContact OD2-NZ 3.25Å; D345-K348 PolarHBondContact OD2-NZ 3.46Å; G346-K348 PolarHBondContact O-N 2.98Å; K348-P350 WeakPolarHBondContact O-CD 3.32Å
349	V	88.7	Confident	83.1	Confident	39 Å²	39	43.2 Å²	43.2	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	90.7	-175.5	-170.7	0	0	0	0	109.5	T343 L344 L351 W368	T343-V349 WeakPolarHBondContact CA-O 3.26Å; L344-V349 HydrophobicContact CB-CB 4.22Å; L344-V349 PolarHBondContact N-O 3.05Å; L344-V349 PolarHBondContact O-N 3.42Å; L344-V349 VanDerWaalsContact O-N 3.14Å; V349-L351 HydrophobicContact CG1-CD2 3.76Å; V349-L351 HydrophobicContact CG1-CG 4.13Å; V349-L351 PolarHBondContact O-N 2.87Å; V349-W368 HydrophobicContact CB-CZ2 4.49Å; V349-W368 HydrophobicContact CG1-CH2 4.37Å; V349-W368 HydrophobicContact CG1-CZ2 3.59Å
350	P	93.3	Very high	81.8	Confident	19 Å²	19	44.4 Å²	44.4	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.4	173.6	28.1	-31.5	0	0	0	109.9	M303 F307 E342 T343 K348 F400	M303-P350 HydrophobicContact CE-CB 4.08Å; M303-P350 HydrophobicContact CE-CG 3.43Å; M303-P350 VanDerWaalsContact CE-CG 3.43Å; M303-P350 HydrophobicContact SD-CB 3.97Å; M303-P350 HydrophobicContact SD-CG 3.82Å; F307-P350 HydrophobicContact CE2-CB 3.95Å; F307-P350 HydrophobicContact CZ-CB 3.87Å; E342-P350 CarbonylContact O-C 3.54Å; E342-P350 WeakPolarHBondContact O-CA 3Å; T343-P350 HydrophobicContact CG2-CB 4.42Å; K348-P350 WeakPolarHBondContact O-CD 3.32Å; P350-F400 HydrophobicContact CB-CB 3.94Å; P350-F400 HydrophobicContact CG-CB 3.86Å; P350-F400 PolarHBondContact O-N 3.25Å
351	L	94.8	Very high	80.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147	-179.9	-62.2	-175.4	0	0	0	110.8	E342 L344 V349 W368 W375 W397 M398	E342-L351 PolarHBondContact N-O 2.94Å; E342-L351 PolarHBondContact O-N 2.77Å; L344-L351 HydrophobicContact CD1-CD1 3.43Å; L344-L351 VanDerWaalsContact CD1-CD1 3.43Å; L344-L351 HydrophobicContact CD1-CG 4.42Å; L344-L351 HydrophobicContact CG-CD1 3.91Å; V349-L351 HydrophobicContact CG1-CD2 3.76Å; V349-L351 HydrophobicContact CG1-CG 4.13Å; V349-L351 PolarHBondContact O-N 2.87Å; L351-W368 HydrophobicContact CD1-CD2 3.93Å; L351-W368 HydrophobicContact CD1-CE3 3.67Å; L351-W368 HydrophobicContact CD1-CG 4.44Å; L351-W368 HydrophobicContact CD1-CZ3 4.01Å; L351-W368 HydrophobicContact CD2-CB 4.2Å; L351-W368 HydrophobicContact CD2-CD2 3.66Å; L351-W368 HydrophobicContact CD2-CE3 4.28Å; L351-W368 HydrophobicContact CD2-CG 3.58Å; L351-W368 HydrophobicContact CG-CD2 4.46Å; L351-W375 HydrophobicContact CD1-CH2 3.81Å; L351-W375 HydrophobicContact CD1-CZ3 4.34Å; L351-W397 HydrophobicContact CB-CE3 3.86Å; L351-W397 HydrophobicContact CB-CZ3 4.09Å; L351-W397 HydrophobicContact CD1-CE3 4.5Å; L351-M398 WeakPolarHBondContact CA-O 3.14Å
352	L	93.8	Very high	79.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.7	172.9	-54.7	-179.5	0	0	0	108.8	V306 V338 Q340 V341 I354 W397 M398 F400 F403	V306-L352 HydrophobicContact CG1-CD2 3.83Å; V338-L352 HydrophobicContact CG1-CB 4.44Å; V338-L352 HydrophobicContact CG1-CD2 4.21Å; Q340-L352 WeakPolarHBondContact O-CA 3.18Å; V341-L352 HydrophobicContact CB-CD2 4.2Å; V341-L352 HydrophobicContact CG1-CD2 3.81Å; V341-L352 HydrophobicContact CG2-CD2 3.77Å; L352-I354 HydrophobicContact CB-CG1 4.21Å; L352-W397 WeakPolarHBondContact O-CA 3.44Å; L352-M398 PolarHBondContact N-O 2.86Å; L352-M398 PolarHBondContact O-N 2.99Å; L352-F400 HydrophobicContact CD1-CD2 3.98Å; L352-F400 HydrophobicContact CD2-CD2 4.31Å; L352-F400 HydrophobicContact CG-CD2 4.31Å; L352-F403 HydrophobicContact CD1-CB 3.68Å; L352-F403 HydrophobicContact CD1-CD1 3.59Å; L352-F403 HydrophobicContact CD1-CD2 3.75Å; L352-F403 HydrophobicContact CD1-CE1 4.13Å; L352-F403 HydrophobicContact CD1-CE2 4.27Å; L352-F403 HydrophobicContact CD1-CG 3.36Å; L352-F403 HydrophobicContact CD1-CZ 4.45Å
353	R	93.2	Very high	79	Confident	40 Å²	40	53.7 Å²	53.7	15%	0.151	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.1	164.2	-163.4	170.7	88.9	-159.2	3.9	108.3	V339 Q340 E395 F396 W397	V339-R353 PolarHBondContact N-O 3.26Å; Q340-R353 HydrophobicContact CB-CB 3.82Å; Q340-R353 PolarHBondContact O-N 3.03Å; R353-E395 IonicContact CZ-OE2 3.54Å; R353-E395 IonicContact NE-OE2 2.69Å; R353-E395 PolarHBondContact NE-OE2 3.11Å; R353-E395 VanDerWaalsContact NE-OE2 3.08Å; R353-E395 IonicContact NH2-OE2 3.42Å; R353-F396 WeakPolarHBondContact CA-O 3.12Å; R353-W397 HydrophobicContact CB-CD2 3.84Å; R353-W397 HydrophobicContact CB-CE3 3.85Å; R353-W397 HydrophobicContact CB-CH2 3.9Å; R353-W397 HydrophobicContact CB-CZ2 3.86Å; R353-W397 HydrophobicContact CB-CZ3 3.88Å; R353-W397 HydrophobicContact CG-CD2 4.07Å; R353-W397 HydrophobicContact CG-CG 4.43Å; R353-W397 HydrophobicContact CG-CZ2 4.09Å
354	I	89.9	Confident	78.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.8	-175.7	-58.5	-174.1	0	0	0	108.7	F336 D337 L352 E395 F396 M398 F403 F407	F336-I354 HydrophobicContact CB-CG2 3.33Å; F336-I354 HydrophobicContact CD1-CG2 3.89Å; F336-I354 HydrophobicContact CG-CG2 3.81Å; D337-I354 CarbonylContact O-C 3.55Å; D337-I354 VanDerWaalsContact O-CA 3.28Å; D337-I354 WeakPolarHBondContact O-CA 3.2Å; L352-I354 HydrophobicContact CB-CG1 4.21Å; I354-E395 CarbonylContact O-C 3.43Å; I354-E395 VanDerWaalsContact O-CA 3.29Å; I354-E395 WeakPolarHBondContact O-CA 3.29Å; I354-F396 HydrophobicContact CB-CD2 4.19Å; I354-F396 HydrophobicContact CB-CE1 4.42Å; I354-F396 HydrophobicContact CB-CE2 3.68Å; I354-F396 HydrophobicContact CB-CZ 3.82Å; I354-F396 HydrophobicContact CD1-CE2 4.1Å; I354-F396 HydrophobicContact CG1-CE2 4.3Å; I354-F396 HydrophobicContact CG2-CE1 4.23Å; I354-F396 HydrophobicContact CG2-CE2 4.02Å; I354-F396 HydrophobicContact CG2-CZ 3.65Å; I354-F396 PolarHBondContact N-O 3.33Å; I354-F396 PolarHBondContact O-N 2.85Å; I354-M398 HydrophobicContact CD1-CG 3.65Å; I354-M398 HydrophobicContact CD1-SD 3.47Å; I354-M398 WeakPolarHBondContact CD1-SD 3.49Å; I354-M398 HydrophobicContact CG1-CG 4.33Å; I354-F403 HydrophobicContact CD1-CD2 3.7Å; I354-F403 HydrophobicContact CD1-CE2 4.22Å; I354-F407 HydrophobicContact CD1-CE2 3.67Å; I354-F407 HydrophobicContact CD1-CZ 3.7Å; I354-F407 HydrophobicContact CG2-CZ 4.17Å
355	R	87.1	Confident	78.9	Confident	9 Å²	9	59.8 Å²	59.8	3%	0.034	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.6	-177.1	178.1	-178.6	86.3	146.8	10.2	111	A190 T193 L194 F336 D337 V339 P357 E395	A190-R355 PolarHBondContact O-NH2 3.31Å; T193-R355 PolarHBondContact OG1-NH1 2.79Å; L194-R355 VanDerWaalsContact CG-NH2 3.32Å; F336-R355 CarbonylContact C-O 3.44Å; F336-R355 VanDerWaalsContact CA-O 3.28Å; F336-R355 WeakPolarHBondContact CA-O 3.4Å; F336-R355 WeakPolarHBondContact CB-O 3.47Å; D337-R355 HydrophobicContact CB-CB 4.39Å; D337-R355 PolarHBondContact N-O 2.88Å; D337-R355 PolarHBondContact O-N 3.41Å; D337-R355 IonicContact OD2-CZ 2.61Å; D337-R355 IonicContact OD2-NE 3.03Å; D337-R355 PolarHBondContact OD2-NE 2.92Å; D337-R355 VanDerWaalsContact OD2-NE 3.13Å; D337-R355 IonicContact OD2-NH2 2.88Å; D337-R355 PolarHBondContact OD2-NH2 2.98Å; V339-R355 HydrophobicContact CG2-CB 3.44Å; V339-R355 VanDerWaalsContact CG2-CB 3.44Å; V339-R355 HydrophobicContact CG2-CG 4.36Å; R355-P357 WeakPolarHBondContact O-CD 3.46Å; R355-E395 HydrophobicContact CB-CG 3.86Å; R355-E395 WeakPolarHBondContact CD-OE1 3.23Å; R355-E395 HydrophobicContact CG-CG 3.74Å
356	N	81.1	Confident	79.5	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	31%	0.305	C	S	.	.			trans	-85.5	112.1	172.4	-174.1	-24.3	0	0	0	110.5	R172 F336 W358 G359 S360 G394	R172-N356 VanDerWaalsContact CD-O 3.31Å; R172-N356 WeakPolarHBondContact CD-O 3.39Å; R172-N356 PolarHBondContact NE-O 3.45Å; F336-N356 HydrophobicContact CD1-CB 3.77Å; F336-N356 HydrophobicContact CE1-CB 3.76Å; N356-W358 VanDerWaalsContact C-N 3.28Å; N356-W358 PolarHBondContact O-N 2.83Å; N356-W358 PolarHBondContact OD1-N 2.83Å; N356-G359 PolarHBondContact O-N 3.34Å; N356-S360 PolarHBondContact ND2-O 3.01Å; N356-S360 PolarHBondContact ND2-OG 2.88Å; N356-G394 WeakPolarHBondContact CB-O 3.14Å; N356-G394 PolarHBondContact N-O 2.89Å
357	P	70	Confident	80.6	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.039	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.6	-178.4	24.7	-32.5	0	0	0	113.3	A190 S335 R355 G359	A190-P357 HydrophobicContact CB-CB 3.57Å; S335-P357 WeakPolarHBondContact O-CD 3.35Å; S335-P357 WeakPolarHBondContact O-CG 3.41Å; R355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 3.26Å
358	W	68.4	Low	81.7	Confident	90 Å²	90	48.5 Å²	48.5	34%	0.341	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.5	-177.8	-53.3	-74.4	0	0	0	114.3	D332 A333 S335 N356 S360	D332-W358 WeakPolarHBondContact O-CH2 3.27Å; D332-W358 WeakPolarHBondContact O-CZ2 3.18Å; A333-W358 VanDerWaalsContact C-CZ3 3.43Å; S335-W358 WeakPolarHBondContact O-CH2 3.49Å; S335-W358 WeakPolarHBondContact O-CZ3 3.5Å; N356-W358 VanDerWaalsContact C-N 3.28Å; N356-W358 PolarHBondContact O-N 2.83Å; N356-W358 PolarHBondContact OD1-N 2.83Å; W358-S360 PolarHBondContact O-N 3.2Å; W358-S360 VanDerWaalsContact O-N 3.1Å
359	G	61.1	Low	82.3	Confident	26 Å²	26	42 Å²	42	27%	0.268	23%	0.23	S	C	.	.			trans	66.5	14.5	175.3	0	0	0	0	0	114.9	N356 P357 S361	N356-G359 PolarHBondContact O-N 3.34Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 3.26Å; G359-S361 PolarHBondContact O-N 2.84Å
360	S	62.7	Low	82.2	Confident	54 Å²	54	41.8 Å²	41.8	38%	0.378	23%	0.228	S	C	.	.			trans	-66.3	129.4	174.4	87.5	0	0	0	0	108.7	N356 W358 Q362	N356-S360 PolarHBondContact ND2-O 3.01Å; N356-S360 PolarHBondContact ND2-OG 2.88Å; W358-S360 PolarHBondContact O-N 3.2Å; W358-S360 VanDerWaalsContact O-N 3.1Å; S360-Q362 PolarHBondContact O-N 2.89Å
361	S	58.9	Low	81.8	Confident	92 Å²	92	43.5 Å²	43.5	64%	0.643	25%	0.248	S	C	*	.	S	Bend	trans	-69.7	9.5	179.7	55.3	0	0	0	0	114.4	G359 E363	G359-S361 PolarHBondContact O-N 2.84Å; S361-E363 PolarHBondContact O-N 2.87Å; S361-E363 VanDerWaalsContact O-N 3.1Å
362	Q	68.2	Low	81.6	Confident	164 Å²	164	44.2 Å²	44.2	77%	0.766	25%	0.254	S	S	*	.			trans	-82.5	87.4	174.5	-169.3	160.8	28.3	0	0	109.8	S360	S360-Q362 PolarHBondContact O-N 2.89Å
363	E	80.8	Confident	81.5	Confident	29 Å²	29	51.1 Å²	51.1	14%	0.136	28%	0.281	C	S	.	.			trans	-89.7	161.8	175.8	-71.9	150.8	-165	0	0	111.8	S361 H392 D393 G394 F396	S361-E363 PolarHBondContact O-N 2.87Å; S361-E363 VanDerWaalsContact O-N 3.1Å; E363-H392 WeakPolarHBondContact OE1-CA 3.26Å; E363-H392 IonicContact OE2-CE1 2.56Å; E363-H392 IonicContact OE2-ND1 3.19Å; E363-H392 PolarHBondContact OE2-ND1 2.85Å; E363-D393 PolarHBondContact OE1-N 2.89Å; E363-G394 WeakPolarHBondContact OE1-CA 3.47Å; E363-G394 PolarHBondContact OE1-N 2.95Å; E363-F396 HydrophobicContact CB-CB 4.27Å; E363-F396 HydrophobicContact CB-CD1 4.07Å; E363-F396 HydrophobicContact CB-CG 4.47Å; E363-F396 HydrophobicContact CG-CB 4.45Å; E363-F396 HydrophobicContact CG-CD1 4.08Å
364	W	86.2	Confident	81.4	Confident	50 Å²	50	51.7 Å²	51.7	19%	0.189	29%	0.285	C	S	.	.			trans	-56.6	136.6	168.4	174.4	-116	0	0	0	111	G366 P367 S369 F396 W397 M398 D402	W364-G366 VanDerWaalsContact CE2-CA 3.45Å; W364-P367 PolarHBondContact NE1-O 3.44Å; W364-S369 WeakPolarHBondContact O-CB 3.19Å; W364-F396 HydrophobicContact CB-CB 4.22Å; W364-F396 HydrophobicContact CB-CD1 4.36Å; W364-F396 HydrophobicContact CB-CD2 3.2Å; W364-F396 HydrophobicContact CB-CE2 3.49Å; W364-F396 VanDerWaalsContact CB-CE2 3.49Å; W364-F396 HydrophobicContact CB-CG 3.68Å; W364-F396 HydrophobicContact CB-CZ 4.19Å; W364-F396 HydrophobicContact CG-CD2 4.1Å; W364-F396 HydrophobicContact CG-CE2 4.36Å; W364-W397 VanDerWaalsContact CD1-O 3.24Å; W364-M398 HydrophobicContact CB-CE 4.37Å; W364-M398 HydrophobicContact CD2-CE 3.51Å; W364-M398 HydrophobicContact CE3-CE 3.66Å; W364-M398 HydrophobicContact CG-CB 4.33Å; W364-M398 HydrophobicContact CG-CE 3.86Å; W364-M398 HydrophobicContact CH2-CE 4.39Å; W364-M398 HydrophobicContact CZ2-CE 4.25Å; W364-M398 HydrophobicContact CZ3-CE 4.12Å; W364-D402 HydrophobicContact CH2-CB 4.23Å; W364-D402 HydrophobicContact CZ2-CB 3.9Å
365	N	85.8	Confident	81.5	Confident	145 Å²	145	52 Å²	52	78%	0.775	29%	0.286	S	S	*	.			trans	-122.5	12	-178.9	66.9	3.4	0	0	0	113.5
366	G	90.5	Very high	81.7	Confident	18 Å²	18	60.6 Å²	60.6	19%	0.186	32%	0.319	C	S	.	.	S	Bend	trans	-90.5	-159.9	177.3	0	0	0	0	0	112.9	W364 W368 S369	W364-G366 VanDerWaalsContact CE2-CA 3.45Å; G366-W368 PolarHBondContact O-N 3.1Å; G366-S369 WeakPolarHBondContact O-CB 3.33Å; G366-S369 PolarHBondContact O-N 3.02Å; G366-S369 VanDerWaalsContact O-N 3.12Å; G366-S369 PolarHBondContact O-OG 3.24Å
367	P	91	Very high	82	Confident	52 Å²	52	66.3 Å²	66.3	34%	0.338	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	138.3	175.4	-27.5	36.1	0	0	0	112.3	W364 S369	W364-P367 PolarHBondContact NE1-O 3.44Å; P367-S369 PolarHBondContact O-N 2.57Å
368	W	92.3	Very high	82.9	Confident	33 Å²	33	67 Å²	67	13%	0.125	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	1.8	-177.1	-54	96.9	0	0	0	116.6	L344 V349 L351 G366 S372 E374 W375 V378 W397	L344-W368 HydrophobicContact CD1-CE3 4.39Å; L344-W368 HydrophobicContact CD1-CH2 3.71Å; L344-W368 HydrophobicContact CD1-CZ3 3.54Å; V349-W368 HydrophobicContact CB-CZ2 4.49Å; V349-W368 HydrophobicContact CG1-CH2 4.37Å; V349-W368 HydrophobicContact CG1-CZ2 3.59Å; L351-W368 HydrophobicContact CD1-CD2 3.93Å; L351-W368 HydrophobicContact CD1-CE3 3.67Å; L351-W368 HydrophobicContact CD1-CG 4.44Å; L351-W368 HydrophobicContact CD1-CZ3 4.01Å; L351-W368 HydrophobicContact CD2-CB 4.2Å; L351-W368 HydrophobicContact CD2-CD2 3.66Å; L351-W368 HydrophobicContact CD2-CE3 4.28Å; L351-W368 HydrophobicContact CD2-CG 3.58Å; L351-W368 HydrophobicContact CG-CD2 4.46Å; G366-W368 PolarHBondContact O-N 3.1Å; W368-S372 VanDerWaalsContact CA-OG 3.27Å; W368-S372 WeakPolarHBondContact CA-OG 3.29Å; W368-S372 PolarHBondContact N-OG 3.29Å; W368-S372 VanDerWaalsContact N-OG 3.16Å; W368-E374 HydrophobicContact CD2-CB 3.75Å; W368-E374 HydrophobicContact CD2-CG 4.23Å; W368-E374 HydrophobicContact CE3-CB 3.79Å; W368-E374 HydrophobicContact CG-CB 4.44Å; W368-E374 HydrophobicContact CH2-CB 3.87Å; W368-E374 HydrophobicContact CZ2-CB 3.8Å; W368-E374 HydrophobicContact CZ2-CG 4.21Å; W368-E374 HydrophobicContact CZ3-CB 3.86Å; W368-E374 PolarHBondContact N-OE2 2.81Å; W368-W375 HydrophobicContact CB-CZ2 4.32Å; W368-W375 AromaticContact CE3-CD2 3.91Å; W368-W375 HydrophobicContact CE3-CD2 3.91Å; W368-W375 AromaticContact CE3-CE2 3.82Å; W368-W375 AromaticContact CE3-CE3 3.93Å; W368-W375 HydrophobicContact CE3-CE3 3.93Å; W368-W375 AromaticContact CE3-CH2 3.81Å; W368-W375 HydrophobicContact CE3-CH2 3.81Å; W368-W375 AromaticContact CE3-CZ2 3.78Å; W368-W375 HydrophobicContact CE3-CZ2 3.78Å; W368-W375 AromaticContact CE3-CZ3 3.88Å; W368-W375 HydrophobicContact CE3-CZ3 3.88Å; W368-W375 HydrophobicContact CZ3-CD2 4.16Å; W368-W375 AromaticContact CZ3-CE3 3.81Å; W368-W375 HydrophobicContact CZ3-CE3 3.81Å; W368-W375 HydrophobicContact CZ3-CH2 4.26Å; W368-W375 AromaticContact CZ3-CZ3 3.86Å; W368-W375 HydrophobicContact CZ3-CZ3 3.86Å; W368-W375 WeakPolarHBondContact O-CZ2 3.41Å; W368-W375 PolarHBondContact O-NE1 3.44Å; W368-V378 HydrophobicContact CH2-CG2 4.13Å; W368-V378 HydrophobicContact CZ3-CG2 3.83Å; W368-W397 CarbonylContact C-O 3.48Å; W368-W397 WeakPolarHBondContact O-CB 3.05Å; W368-W397 VanDerWaalsContact O-O 3.13Å
369	S	90.5	Very high	83.9	Confident	12 Å²	12	65.7 Å²	65.7	8%	0.084	36%	0.358	C	S	.	.	S	Bend	trans	-57.1	168.8	168.6	56.2	0	0	0	0	112.9	W364 G366 P367 G371 S372 W375	W364-S369 WeakPolarHBondContact O-CB 3.19Å; G366-S369 WeakPolarHBondContact O-CB 3.33Å; G366-S369 PolarHBondContact O-N 3.02Å; G366-S369 VanDerWaalsContact O-N 3.12Å; G366-S369 PolarHBondContact O-OG 3.24Å; P367-S369 PolarHBondContact O-N 2.57Å; S369-G371 PolarHBondContact O-N 2.92Å; S369-S372 WeakPolarHBondContact O-CB 3.35Å; S369-S372 PolarHBondContact O-N 2.99Å; S369-S372 PolarHBondContact O-OG 3.32Å; S369-W375 PolarHBondContact O-NE1 3.25Å
370	D	86.4	Confident	85.3	Confident	34 Å²	34	69.7 Å²	69.7	18%	0.182	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	122.2	177.6	-81.4	23.4	0	0	0	111.8	S372 F390 K391	D370-S372 VanDerWaalsContact C-N 3.26Å; D370-S372 PolarHBondContact O-N 3.39Å; D370-F390 HydrophobicContact CB-CB 4.47Å; D370-F390 HydrophobicContact CB-CD1 4.03Å; D370-F390 VanDerWaalsContact OD2-CA 3.29Å; D370-F390 WeakPolarHBondContact OD2-CA 3.36Å; D370-K391 PolarHBondContact OD2-N 3.02Å
371	G	86	Confident	86.5	Confident	54 Å²	54	70.9 Å²	70.9	56%	0.557	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	10.4	-177.4	0	0	0	0	0	115.5	S369	S369-G371 PolarHBondContact O-N 2.92Å
372	S	90.6	Very high	87.9	Confident	17 Å²	17	68.3 Å²	68.3	12%	0.119	36%	0.362	C	S	.	.			trans	-62.4	160.3	178	88.7	0	0	0	0	113.1	W368 S369 D370 E374	W368-S372 VanDerWaalsContact CA-OG 3.27Å; W368-S372 WeakPolarHBondContact CA-OG 3.29Å; W368-S372 PolarHBondContact N-OG 3.29Å; W368-S372 VanDerWaalsContact N-OG 3.16Å; S369-S372 WeakPolarHBondContact O-CB 3.35Å; S369-S372 PolarHBondContact O-N 2.99Å; S369-S372 PolarHBondContact O-OG 3.32Å; D370-S372 VanDerWaalsContact C-N 3.26Å; D370-S372 PolarHBondContact O-N 3.39Å; S372-E374 VanDerWaalsContact C-N 3.29Å; S372-E374 WeakPolarHBondContact CB-OE2 3.48Å; S372-E374 PolarHBondContact O-N 3.1Å; S372-E374 PolarHBondContact OG-OE2 2.96Å
373	Y	91.6	Very high	89	Confident	144 Å²	144	62.6 Å²	62.6	57%	0.565	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.5	-31.6	-176.5	165.6	-96.9	0	0	0	113	W375 R376	Y373-W375 PolarHBondContact O-N 2.79Å; Y373-R376 VanDerWaalsContact O-CB 3.31Å; Y373-R376 WeakPolarHBondContact O-CB 3.42Å; Y373-R376 WeakPolarHBondContact O-CG 3.46Å; Y373-R376 PolarHBondContact O-N 3.36Å
374	E	91.2	Very high	89.4	Confident	52 Å²	52	68.4 Å²	68.4	24%	0.243	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-56.8	-37.7	-177	-64.8	77.8	-170.4	0	0	112.1	W368 S372 R376 N377	W368-E374 HydrophobicContact CD2-CB 3.75Å; W368-E374 HydrophobicContact CD2-CG 4.23Å; W368-E374 HydrophobicContact CE3-CB 3.79Å; W368-E374 HydrophobicContact CG-CB 4.44Å; W368-E374 HydrophobicContact CH2-CB 3.87Å; W368-E374 HydrophobicContact CZ2-CB 3.8Å; W368-E374 HydrophobicContact CZ2-CG 4.21Å; W368-E374 HydrophobicContact CZ3-CB 3.86Å; W368-E374 PolarHBondContact N-OE2 2.81Å; S372-E374 VanDerWaalsContact C-N 3.29Å; S372-E374 WeakPolarHBondContact CB-OE2 3.48Å; S372-E374 PolarHBondContact O-N 3.1Å; S372-E374 PolarHBondContact OG-OE2 2.96Å; E374-R376 PolarHBondContact O-N 3.26Å; E374-R376 VanDerWaalsContact O-N 3.08Å; E374-N377 PolarHBondContact O-N 3.44Å; E374-N377 VanDerWaalsContact O-N 3.11Å
375	W	92.2	Very high	89.4	Confident	7 Å²	7	73.3 Å²	73.3	3%	0.027	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-61.5	-18	178.2	-65.6	117.6	0	0	0	114.5	L344 L351 W368 S369 Y373 N377 V378 K383 I386 L388 F390 W397	L344-W375 HydrophobicContact CD1-CZ3 4.19Å; L351-W375 HydrophobicContact CD1-CH2 3.81Å; L351-W375 HydrophobicContact CD1-CZ3 4.34Å; W368-W375 HydrophobicContact CB-CZ2 4.32Å; W368-W375 AromaticContact CE3-CD2 3.91Å; W368-W375 HydrophobicContact CE3-CD2 3.91Å; W368-W375 AromaticContact CE3-CE2 3.82Å; W368-W375 AromaticContact CE3-CE3 3.93Å; W368-W375 HydrophobicContact CE3-CE3 3.93Å; W368-W375 AromaticContact CE3-CH2 3.81Å; W368-W375 HydrophobicContact CE3-CH2 3.81Å; W368-W375 AromaticContact CE3-CZ2 3.78Å; W368-W375 HydrophobicContact CE3-CZ2 3.78Å; W368-W375 AromaticContact CE3-CZ3 3.88Å; W368-W375 HydrophobicContact CE3-CZ3 3.88Å; W368-W375 HydrophobicContact CZ3-CD2 4.16Å; W368-W375 AromaticContact CZ3-CE3 3.81Å; W368-W375 HydrophobicContact CZ3-CE3 3.81Å; W368-W375 HydrophobicContact CZ3-CH2 4.26Å; W368-W375 AromaticContact CZ3-CZ3 3.86Å; W368-W375 HydrophobicContact CZ3-CZ3 3.86Å; W368-W375 WeakPolarHBondContact O-CZ2 3.41Å; W368-W375 PolarHBondContact O-NE1 3.44Å; S369-W375 PolarHBondContact O-NE1 3.25Å; Y373-W375 PolarHBondContact O-N 2.79Å; W375-N377 PolarHBondContact O-N 2.87Å; W375-V378 HydrophobicContact CE3-CB 4.36Å; W375-V378 HydrophobicContact CE3-CG2 4Å; W375-V378 HydrophobicContact CZ3-CG2 4.4Å; W375-V378 PolarHBondContact O-N 3.13Å; W375-K383 WeakPolarHBondContact O-CE 3.35Å; W375-K383 PolarHBondContact O-NZ 2.86Å; W375-K383 VanDerWaalsContact O-NZ 3.09Å; W375-I386 HydrophobicContact CH2-CD1 4Å; W375-I386 HydrophobicContact CZ3-CD1 3.8Å; W375-L388 HydrophobicContact CD2-CD1 4.49Å; W375-L388 HydrophobicContact CD2-CD2 3.74Å; W375-L388 HydrophobicContact CE3-CD2 3.58Å; W375-L388 HydrophobicContact CG-CD2 4.3Å; W375-L388 HydrophobicContact CH2-CD1 3.9Å; W375-L388 HydrophobicContact CH2-CD2 4.33Å; W375-L388 HydrophobicContact CZ2-CD1 3.79Å; W375-L388 HydrophobicContact CZ2-CD2 4.46Å; W375-L388 HydrophobicContact CZ3-CD1 4.29Å; W375-L388 HydrophobicContact CZ3-CD2 3.91Å; W375-F390 HydrophobicContact CB-CZ 4.02Å; W375-F390 AromaticContact CD1-CE1 3.7Å; W375-F390 AromaticContact CD1-CZ 3.64Å; W375-F390 HydrophobicContact CD2-CE1 4.47Å; W375-F390 HydrophobicContact CD2-CZ 4.37Å; W375-F390 HydrophobicContact CG-CE1 4.12Å; W375-F390 AromaticContact CG-CZ 3.74Å; W375-F390 HydrophobicContact CG-CZ 3.74Å; W375-F390 AromaticContact NE1-CE1 3.79Å; W375-W397 HydrophobicContact CH2-CB 4.25Å; W375-W397 HydrophobicContact CH2-CD2 4.25Å; W375-W397 HydrophobicContact CH2-CG 4.04Å; W375-W397 HydrophobicContact CZ2-CB 3.63Å; W375-W397 HydrophobicContact CZ2-CD2 4.44Å; W375-W397 AromaticContact CZ2-CG 3.76Å; W375-W397 HydrophobicContact CZ2-CG 3.76Å
376	R	89.9	Confident	89.5	Confident	190 Å²	190	66.6 Å²	66.6	72%	0.717	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68.3	-23.3	176.7	-63.1	-175.6	-174.8	-179.9	1.9	113	Y373 E374	Y373-R376 VanDerWaalsContact O-CB 3.31Å; Y373-R376 WeakPolarHBondContact O-CB 3.42Å; Y373-R376 WeakPolarHBondContact O-CG 3.46Å; Y373-R376 PolarHBondContact O-N 3.36Å; E374-R376 PolarHBondContact O-N 3.26Å; E374-R376 VanDerWaalsContact O-N 3.08Å
377	N	88.3	Confident	89.3	Confident	123 Å²	123	72.1 Å²	72.1	66%	0.658	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-91.8	-2.6	179.2	-61.4	-39.1	0	0	0	112.6	E374 W375	E374-N377 PolarHBondContact O-N 3.44Å; E374-N377 VanDerWaalsContact O-N 3.11Å; W375-N377 PolarHBondContact O-N 2.87Å
378	V	89.4	Confident	89.1	Confident	20 Å²	20	71 Å²	71	12%	0.121	36%	0.363	C	S	.	.	S	Bend	trans	-96	130.7	177.2	-175.2	0	0	0	0	109.4	L344 W368 W375 V382 K383	L344-V378 HydrophobicContact CD1-CG2 3.82Å; W368-V378 HydrophobicContact CH2-CG2 4.13Å; W368-V378 HydrophobicContact CZ3-CG2 3.83Å; W375-V378 HydrophobicContact CE3-CB 4.36Å; W375-V378 HydrophobicContact CE3-CG2 4Å; W375-V378 HydrophobicContact CZ3-CG2 4.4Å; W375-V378 PolarHBondContact O-N 3.13Å; V378-V382 HydrophobicContact CG1-CB 3.85Å; V378-V382 HydrophobicContact CG1-CG1 3.71Å; V378-K383 HydrophobicContact CB-CG 4.48Å; V378-K383 HydrophobicContact CG1-CG 4.03Å; V378-K383 WeakPolarHBondContact O-CE 3.29Å; V378-K383 PolarHBondContact O-NZ 3.38Å; V378-K383 VanDerWaalsContact O-NZ 3.07Å
379	S	89	Confident	88.6	Confident	64 Å²	64	74.1 Å²	74.1	45%	0.448	38%	0.379	S	S	.	.			trans	-65.1	147.4	177.1	54	0	0	0	0	112	S381 V382 K383	S379-S381 PolarHBondContact O-N 3.26Å; S379-S381 PolarHBondContact OG-OG 3.33Å; S379-V382 PolarHBondContact O-N 2.85Å; S379-V382 VanDerWaalsContact O-N 3.08Å; S379-V382 VanDerWaalsContact OG-CG2 3.3Å; S379-V382 WeakPolarHBondContact OG-CG2 3.47Å; S379-K383 PolarHBondContact O-N 3Å
380	D	89.3	Confident	88.2	Confident	109 Å²	109	78.6 Å²	78.6	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-60.9	-31.6	-179.4	-61.1	-28.5	0	0	0	113.1	V382 K383 E384	D380-V382 VanDerWaalsContact C-N 3.33Å; D380-V382 PolarHBondContact O-N 3.33Å; D380-K383 WeakPolarHBondContact O-CB 3.39Å; D380-K383 PolarHBondContact O-N 3.26Å; D380-K383 IonicContact OD1-NZ 2.72Å; D380-K383 PolarHBondContact OD1-NZ 3.5Å; D380-E384 WeakPolarHBondContact O-CG 3.39Å; D380-E384 PolarHBondContact O-N 3.31Å
381	S	89.3	Confident	87.9	Confident	79 Å²	79	82.2 Å²	82.2	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-39.9	174.5	58.2	0	0	0	0	113.4	S379 E384 E385	S379-S381 PolarHBondContact O-N 3.26Å; S379-S381 PolarHBondContact OG-OG 3.33Å; S381-E384 PolarHBondContact O-N 2.83Å; S381-E385 WeakPolarHBondContact O-CB 3.15Å; S381-E385 PolarHBondContact O-N 3.23Å
382	V	88.5	Confident	87.3	Confident	38 Å²	38	87.3 Å²	87.3	23%	0.23	42%	0.42	C	S	.	.	H	α-helix	trans	-72.7	-36.1	178.1	172.6	0	0	0	0	110.1	L344 V378 S379 D380 E384 E385 I386	L344-V382 HydrophobicContact CD2-CG1 3.69Å; V378-V382 HydrophobicContact CG1-CB 3.85Å; V378-V382 HydrophobicContact CG1-CG1 3.71Å; S379-V382 PolarHBondContact O-N 2.85Å; S379-V382 VanDerWaalsContact O-N 3.08Å; S379-V382 VanDerWaalsContact OG-CG2 3.3Å; S379-V382 WeakPolarHBondContact OG-CG2 3.47Å; D380-V382 VanDerWaalsContact C-N 3.33Å; D380-V382 PolarHBondContact O-N 3.33Å; V382-E384 VanDerWaalsContact C-N 3.34Å; V382-E385 PolarHBondContact O-N 2.96Å; V382-I386 WeakPolarHBondContact O-CG1 3.33Å; V382-I386 PolarHBondContact O-N 2.84Å
383	K	89.4	Confident	86.6	Confident	44 Å²	44	88.9 Å²	88.9	19%	0.191	43%	0.427	C	S	.	.	H	α-helix	trans	-64.1	-39.7	174.7	-64.5	177.3	-173.8	151.1	0	111.9	W375 V378 S379 D380 E387 L388	W375-K383 WeakPolarHBondContact O-CE 3.35Å; W375-K383 PolarHBondContact O-NZ 2.86Å; W375-K383 VanDerWaalsContact O-NZ 3.09Å; V378-K383 HydrophobicContact CB-CG 4.48Å; V378-K383 HydrophobicContact CG1-CG 4.03Å; V378-K383 WeakPolarHBondContact O-CE 3.29Å; V378-K383 PolarHBondContact O-NZ 3.38Å; V378-K383 VanDerWaalsContact O-NZ 3.07Å; S379-K383 PolarHBondContact O-N 3Å; D380-K383 WeakPolarHBondContact O-CB 3.39Å; D380-K383 PolarHBondContact O-N 3.26Å; D380-K383 IonicContact OD1-NZ 2.72Å; D380-K383 PolarHBondContact OD1-NZ 3.5Å; K383-E387 PolarHBondContact O-N 3.08Å; K383-L388 HydrophobicContact CB-CB 4.12Å; K383-L388 HydrophobicContact CB-CD2 4.17Å; K383-L388 HydrophobicContact CD-CD2 4.05Å; K383-L388 HydrophobicContact CG-CD2 3.79Å; K383-L388 WeakPolarHBondContact O-CB 3.36Å; K383-L388 PolarHBondContact O-N 2.63Å
384	E	89.1	Confident	86.1	Confident	151 Å²	151	82 Å²	82	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-65.8	-41.7	174.1	-73.3	175.1	-173.1	0	0	111.4	D380 S381 V382 E387	D380-E384 WeakPolarHBondContact O-CG 3.39Å; D380-E384 PolarHBondContact O-N 3.31Å; S381-E384 PolarHBondContact O-N 2.83Å; V382-E384 VanDerWaalsContact C-N 3.34Å; E384-E387 PolarHBondContact O-N 2.83Å; E384-E387 VanDerWaalsContact O-N 3.16Å
385	E	86.5	Confident	85.8	Confident	153 Å²	153	81.3 Å²	81.3	72%	0.715	40%	0.397	S	S	*	.	H	α-helix	trans	-63.2	-43.1	178.7	-178.3	173.9	-165.1	0	0	113.1	S381 V382 E387	S381-E385 WeakPolarHBondContact O-CB 3.15Å; S381-E385 PolarHBondContact O-N 3.23Å; V382-E385 PolarHBondContact O-N 2.96Å; E385-E387 PolarHBondContact O-N 3.22Å
386	I	88.2	Confident	85.7	Confident	4 Å²	4	81.4 Å²	81.4	2%	0.021	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.5	176.7	73.5	-178	0	0	0	113	E342 W375 V382 L388 W397	E342-I386 HydrophobicContact CG-CG2 3.91Å; W375-I386 HydrophobicContact CH2-CD1 4Å; W375-I386 HydrophobicContact CZ3-CD1 3.8Å; V382-I386 WeakPolarHBondContact O-CG1 3.33Å; V382-I386 PolarHBondContact O-N 2.84Å; I386-L388 HydrophobicContact CD1-CB 4.22Å; I386-L388 HydrophobicContact CG1-CB 3.94Å; I386-L388 PolarHBondContact O-N 3.49Å; I386-W397 HydrophobicContact CB-CH2 4.21Å; I386-W397 HydrophobicContact CB-CZ2 4.09Å; I386-W397 HydrophobicContact CD1-CH2 4.44Å; I386-W397 HydrophobicContact CD1-CZ2 4.14Å; I386-W397 HydrophobicContact CG1-CZ2 4.2Å
387	E	86.8	Confident	85.8	Confident	134 Å²	134	72.6 Å²	72.6	63%	0.626	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	43.6	-177.3	-58.2	-178.4	171.6	0	0	112.7	K383 E384 E385 Q389	K383-E387 PolarHBondContact O-N 3.08Å; E384-E387 PolarHBondContact O-N 2.83Å; E384-E387 VanDerWaalsContact O-N 3.16Å; E385-E387 PolarHBondContact O-N 3.22Å; E387-Q389 PolarHBondContact O-N 2.74Å
388	L	86.1	Confident	86.1	Confident	28 Å²	28	66.9 Å²	66.9	15%	0.147	33%	0.334	C	S	.	.			trans	-62.9	119.3	-176.7	-174.7	65.5	0	0	0	110.6	W375 K383 I386 F390 W397	W375-L388 HydrophobicContact CD2-CD1 4.49Å; W375-L388 HydrophobicContact CD2-CD2 3.74Å; W375-L388 HydrophobicContact CE3-CD2 3.58Å; W375-L388 HydrophobicContact CG-CD2 4.3Å; W375-L388 HydrophobicContact CH2-CD1 3.9Å; W375-L388 HydrophobicContact CH2-CD2 4.33Å; W375-L388 HydrophobicContact CZ2-CD1 3.79Å; W375-L388 HydrophobicContact CZ2-CD2 4.46Å; W375-L388 HydrophobicContact CZ3-CD1 4.29Å; W375-L388 HydrophobicContact CZ3-CD2 3.91Å; K383-L388 HydrophobicContact CB-CB 4.12Å; K383-L388 HydrophobicContact CB-CD2 4.17Å; K383-L388 HydrophobicContact CD-CD2 4.05Å; K383-L388 HydrophobicContact CG-CD2 3.79Å; K383-L388 WeakPolarHBondContact O-CB 3.36Å; K383-L388 PolarHBondContact O-N 2.63Å; I386-L388 HydrophobicContact CD1-CB 4.22Å; I386-L388 HydrophobicContact CG1-CB 3.94Å; I386-L388 PolarHBondContact O-N 3.49Å; L388-F390 HydrophobicContact CD1-CD1 4.43Å; L388-F390 HydrophobicContact CD1-CE1 3.88Å; L388-F390 HydrophobicContact CD2-CE1 3.75Å; L388-F390 HydrophobicContact CD2-CZ 3.65Å; L388-F390 HydrophobicContact CG-CD1 4.4Å; L388-F390 HydrophobicContact CG-CE1 3.83Å; L388-F390 HydrophobicContact CG-CZ 4.17Å; L388-W397 VanDerWaalsContact CD1-CD1 3.49Å; L388-W397 HydrophobicContact CD1-CG 4.41Å
389	Q	82.2	Confident	86.3	Confident	100 Å²	100	66.7 Å²	66.7	47%	0.467	33%	0.333	S	S	.	.			trans	-123.9	131.3	174	-60.3	-171.7	15.1	0	0	108.8	E387 K391	E387-Q389 PolarHBondContact O-N 2.74Å; Q389-K391 HydrophobicContact CB-CD 4.26Å; Q389-K391 HydrophobicContact CB-CG 4.31Å
390	F	82.6	Confident	86.5	Confident	105 Å²	105	64.2 Å²	64.2	46%	0.461	32%	0.315	S	S	.	.			trans	-96.4	93.7	171.4	-60.6	-37.5	0	0	0	108.5	D370 W375 L388	D370-F390 HydrophobicContact CB-CB 4.47Å; D370-F390 HydrophobicContact CB-CD1 4.03Å; D370-F390 VanDerWaalsContact OD2-CA 3.29Å; D370-F390 WeakPolarHBondContact OD2-CA 3.36Å; W375-F390 HydrophobicContact CB-CZ 4.02Å; W375-F390 AromaticContact CD1-CE1 3.7Å; W375-F390 AromaticContact CD1-CZ 3.64Å; W375-F390 HydrophobicContact CD2-CE1 4.47Å; W375-F390 HydrophobicContact CD2-CZ 4.37Å; W375-F390 HydrophobicContact CG-CE1 4.12Å; W375-F390 AromaticContact CG-CZ 3.74Å; W375-F390 HydrophobicContact CG-CZ 3.74Å; W375-F390 AromaticContact NE1-CE1 3.79Å; L388-F390 HydrophobicContact CD1-CD1 4.43Å; L388-F390 HydrophobicContact CD1-CE1 3.88Å; L388-F390 HydrophobicContact CD2-CE1 3.75Å; L388-F390 HydrophobicContact CD2-CZ 3.65Å; L388-F390 HydrophobicContact CG-CD1 4.4Å; L388-F390 HydrophobicContact CG-CE1 3.83Å; L388-F390 HydrophobicContact CG-CZ 4.17Å
391	K	79.1	Confident	86.7	Confident	110 Å²	110	62 Å²	62	48%	0.478	31%	0.308	S	S	.	.			trans	-139.2	140.3	-174.5	-74.6	-179.3	176.4	174.9	0	108.3	D370 Q389 D393	D370-K391 PolarHBondContact OD2-N 3.02Å; Q389-K391 HydrophobicContact CB-CD 4.26Å; Q389-K391 HydrophobicContact CB-CG 4.31Å; K391-D393 HydrophobicContact CB-CB 4.22Å; K391-D393 WeakPolarHBondContact CB-OD2 3.48Å; K391-D393 PolarHBondContact O-N 2.88Å
392	H	73.6	Confident	86.8	Confident	162 Å²	162	59.3 Å²	59.3	75%	0.75	29%	0.287	S	S	*	.	S	Bend	trans	-79.3	64.1	169.6	-65.1	-49.6	0	0	0	110.4	E363	E363-H392 WeakPolarHBondContact OE1-CA 3.26Å; E363-H392 IonicContact OE2-CE1 2.56Å; E363-H392 IonicContact OE2-ND1 3.19Å; E363-H392 PolarHBondContact OE2-ND1 2.85Å
393	D	77	Confident	87	Confident	49 Å²	49	57.5 Å²	57.5	26%	0.262	28%	0.276	S	S	.	.	S	Bend	trans	-107	-7.9	-178.3	62.5	24.2	0	0	0	113.2	R172 E363 K391 E395	R172-D393 PolarHBondContact NH2-O 2.61Å; R172-D393 IonicContact NH2-OD1 3.43Å; E363-D393 PolarHBondContact OE1-N 2.89Å; K391-D393 HydrophobicContact CB-CB 4.22Å; K391-D393 WeakPolarHBondContact CB-OD2 3.48Å; K391-D393 PolarHBondContact O-N 2.88Å; D393-E395 WeakPolarHBondContact OD1-CB 3.39Å; D393-E395 PolarHBondContact OD1-N 2.79Å
394	G	79.7	Confident	87.1	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	28%	0.278	C	S	.	.	S	Bend	trans	92.9	4.1	-175.3	0	0	0	0	0	113.8	N356 E363	N356-G394 WeakPolarHBondContact CB-O 3.14Å; N356-G394 PolarHBondContact N-O 2.89Å; E363-G394 WeakPolarHBondContact OE1-CA 3.47Å; E363-G394 PolarHBondContact OE1-N 2.95Å
395	E	86.8	Confident	87.2	Confident	37 Å²	37	59.7 Å²	59.7	17%	0.173	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.1	164.6	-60.8	-167.8	-161.7	0	0	110.7	R172 R353 I354 R355 D393	R172-E395 IonicContact CZ-OE1 2.71Å; R172-E395 IonicContact NH1-OE1 3.19Å; R172-E395 PolarHBondContact NH1-OE1 2.71Å; R172-E395 IonicContact NH2-OE1 3.27Å; R353-E395 IonicContact CZ-OE2 3.54Å; R353-E395 IonicContact NE-OE2 2.69Å; R353-E395 PolarHBondContact NE-OE2 3.11Å; R353-E395 VanDerWaalsContact NE-OE2 3.08Å; R353-E395 IonicContact NH2-OE2 3.42Å; I354-E395 CarbonylContact O-C 3.43Å; I354-E395 VanDerWaalsContact O-CA 3.29Å; I354-E395 WeakPolarHBondContact O-CA 3.29Å; R355-E395 HydrophobicContact CB-CG 3.86Å; R355-E395 WeakPolarHBondContact CD-OE1 3.23Å; R355-E395 HydrophobicContact CG-CG 3.74Å; D393-E395 WeakPolarHBondContact OD1-CB 3.39Å; D393-E395 PolarHBondContact OD1-N 2.79Å
396	F	89	Confident	87.3	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	158	177.3	57.5	-94.3	0	0	0	110.7	F336 R353 I354 E363 W364 M398	F336-F396 HydrophobicContact CD1-CE1 4.1Å; F336-F396 HydrophobicContact CD1-CZ 4.22Å; F336-F396 AromaticContact CE1-CE1 3.98Å; F336-F396 HydrophobicContact CE1-CE1 3.98Å; F336-F396 HydrophobicContact CE1-CZ 4.21Å; R353-F396 WeakPolarHBondContact CA-O 3.12Å; I354-F396 HydrophobicContact CB-CD2 4.19Å; I354-F396 HydrophobicContact CB-CE1 4.42Å; I354-F396 HydrophobicContact CB-CE2 3.68Å; I354-F396 HydrophobicContact CB-CZ 3.82Å; I354-F396 HydrophobicContact CD1-CE2 4.1Å; I354-F396 HydrophobicContact CG1-CE2 4.3Å; I354-F396 HydrophobicContact CG2-CE1 4.23Å; I354-F396 HydrophobicContact CG2-CE2 4.02Å; I354-F396 HydrophobicContact CG2-CZ 3.65Å; I354-F396 PolarHBondContact N-O 3.33Å; I354-F396 PolarHBondContact O-N 2.85Å; E363-F396 HydrophobicContact CB-CB 4.27Å; E363-F396 HydrophobicContact CB-CD1 4.07Å; E363-F396 HydrophobicContact CB-CG 4.47Å; E363-F396 HydrophobicContact CG-CB 4.45Å; E363-F396 HydrophobicContact CG-CD1 4.08Å; W364-F396 HydrophobicContact CB-CB 4.22Å; W364-F396 HydrophobicContact CB-CD1 4.36Å; W364-F396 HydrophobicContact CB-CD2 3.2Å; W364-F396 HydrophobicContact CB-CE2 3.49Å; W364-F396 VanDerWaalsContact CB-CE2 3.49Å; W364-F396 HydrophobicContact CB-CG 3.68Å; W364-F396 HydrophobicContact CB-CZ 4.19Å; W364-F396 HydrophobicContact CG-CD2 4.1Å; W364-F396 HydrophobicContact CG-CE2 4.36Å; F396-M398 HydrophobicContact CE2-CE 4.1Å; F396-M398 HydrophobicContact CE2-CG 4.43Å
397	W	92.9	Very high	87.3	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.9	173.3	-70.8	89.5	0	0	0	111.1	Q340 E342 L351 L352 R353 W364 W368 W375 I386 L388	Q340-W397 HydrophobicContact CB-CH2 4.15Å; Q340-W397 HydrophobicContact CG-CH2 4.03Å; E342-W397 HydrophobicContact CB-CH2 4.44Å; E342-W397 HydrophobicContact CB-CZ3 4.26Å; E342-W397 HydrophobicContact CG-CH2 4.03Å; E342-W397 HydrophobicContact CG-CZ3 4.32Å; L351-W397 HydrophobicContact CB-CE3 3.86Å; L351-W397 HydrophobicContact CB-CZ3 4.09Å; L351-W397 HydrophobicContact CD1-CE3 4.5Å; L352-W397 WeakPolarHBondContact O-CA 3.44Å; R353-W397 HydrophobicContact CB-CD2 3.84Å; R353-W397 HydrophobicContact CB-CE3 3.85Å; R353-W397 HydrophobicContact CB-CH2 3.9Å; R353-W397 HydrophobicContact CB-CZ2 3.86Å; R353-W397 HydrophobicContact CB-CZ3 3.88Å; R353-W397 HydrophobicContact CG-CD2 4.07Å; R353-W397 HydrophobicContact CG-CG 4.43Å; R353-W397 HydrophobicContact CG-CZ2 4.09Å; W364-W397 VanDerWaalsContact CD1-O 3.24Å; W368-W397 CarbonylContact C-O 3.48Å; W368-W397 WeakPolarHBondContact O-CB 3.05Å; W368-W397 VanDerWaalsContact O-O 3.13Å; W375-W397 HydrophobicContact CH2-CB 4.25Å; W375-W397 HydrophobicContact CH2-CD2 4.25Å; W375-W397 HydrophobicContact CH2-CG 4.04Å; W375-W397 HydrophobicContact CZ2-CB 3.63Å; W375-W397 HydrophobicContact CZ2-CD2 4.44Å; W375-W397 AromaticContact CZ2-CG 3.76Å; W375-W397 HydrophobicContact CZ2-CG 3.76Å; I386-W397 HydrophobicContact CB-CH2 4.21Å; I386-W397 HydrophobicContact CB-CZ2 4.09Å; I386-W397 HydrophobicContact CD1-CH2 4.44Å; I386-W397 HydrophobicContact CD1-CZ2 4.14Å; I386-W397 HydrophobicContact CG1-CZ2 4.2Å; L388-W397 VanDerWaalsContact CD1-CD1 3.49Å; L388-W397 HydrophobicContact CD1-CG 4.41Å
398	M	93.1	Very high	87.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161	168.7	59.3	162.9	34.1	0	0	111.9	L351 L352 I354 W364 F396 D402 F403 F407	L351-M398 WeakPolarHBondContact CA-O 3.14Å; L352-M398 PolarHBondContact N-O 2.86Å; L352-M398 PolarHBondContact O-N 2.99Å; I354-M398 HydrophobicContact CD1-CG 3.65Å; I354-M398 HydrophobicContact CD1-SD 3.47Å; I354-M398 WeakPolarHBondContact CD1-SD 3.49Å; I354-M398 HydrophobicContact CG1-CG 4.33Å; W364-M398 HydrophobicContact CB-CE 4.37Å; W364-M398 HydrophobicContact CD2-CE 3.51Å; W364-M398 HydrophobicContact CE3-CE 3.66Å; W364-M398 HydrophobicContact CG-CB 4.33Å; W364-M398 HydrophobicContact CG-CE 3.86Å; W364-M398 HydrophobicContact CH2-CE 4.39Å; W364-M398 HydrophobicContact CZ2-CE 4.25Å; W364-M398 HydrophobicContact CZ3-CE 4.12Å; F396-M398 HydrophobicContact CE2-CE 4.1Å; F396-M398 HydrophobicContact CE2-CG 4.43Å; M398-D402 HydrophobicContact CE-CB 4.47Å; M398-F403 VanDerWaalsContact SD-CA 3.52Å; M398-F403 HydrophobicContact SD-CB 3.75Å; M398-F403 HydrophobicContact SD-CD2 4.28Å; M398-F407 HydrophobicContact CE-CE2 4.12Å; M398-F407 HydrophobicContact SD-CD2 4.3Å; M398-F407 HydrophobicContact SD-CE2 3.73Å
399	S	93.7	Very high	87.7	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	148.2	173.5	82.2	0	0	0	0	111.1	S401 D402 F403	S399-S401 PolarHBondContact O-N 2.94Å; S399-S401 PolarHBondContact OG-N 2.9Å; S399-D402 PolarHBondContact O-N 3.19Å; S399-D402 PolarHBondContact OG-N 3.39Å; S399-D402 PolarHBondContact OG-OD2 2.9Å; S399-F403 PolarHBondContact O-N 3.19Å
400	F	94	Very high	88.2	Confident	13 Å²	13	50.1 Å²	50.1	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-34	172.8	-174.1	-91.2	0	0	0	111.6	A302 M303 V306 P350 L352 D402 F403 M404	A302-F400 HydrophobicContact CB-CZ 4.29Å; M303-F400 HydrophobicContact CB-CD1 4.1Å; M303-F400 HydrophobicContact CB-CE1 3.62Å; M303-F400 HydrophobicContact CB-CE2 4.1Å; M303-F400 HydrophobicContact CB-CZ 3.64Å; M303-F400 HydrophobicContact CE-CB 4.1Å; M303-F400 HydrophobicContact CE-CD1 3.3Å; M303-F400 HydrophobicContact CE-CE1 3.9Å; M303-F400 HydrophobicContact CE-CG 3.78Å; M303-F400 HydrophobicContact CG-CD1 4.15Å; M303-F400 HydrophobicContact CG-CD2 4.23Å; M303-F400 HydrophobicContact CG-CE1 4.16Å; M303-F400 HydrophobicContact CG-CE2 4.26Å; M303-F400 HydrophobicContact CG-CG 4.19Å; M303-F400 HydrophobicContact CG-CZ 4.24Å; V306-F400 HydrophobicContact CB-CE2 4.27Å; V306-F400 HydrophobicContact CG2-CE2 4.08Å; P350-F400 HydrophobicContact CB-CB 3.94Å; P350-F400 HydrophobicContact CG-CB 3.86Å; P350-F400 PolarHBondContact O-N 3.25Å; L352-F400 HydrophobicContact CD1-CD2 3.98Å; L352-F400 HydrophobicContact CD2-CD2 4.31Å; L352-F400 HydrophobicContact CG-CD2 4.31Å; F400-D402 VanDerWaalsContact C-N 3.34Å; F400-D402 PolarHBondContact O-N 3.07Å; F400-F403 HydrophobicContact CD2-CD1 4.48Å; F400-F403 HydrophobicContact CE2-CD1 4.32Å; F400-F403 WeakPolarHBondContact O-CB 3.23Å; F400-F403 PolarHBondContact O-N 3.09Å; F400-M404 HydrophobicContact CD1-CG 3.79Å; F400-M404 HydrophobicContact CE1-CG 3.33Å; F400-M404 HydrophobicContact CE1-SD 3.75Å; F400-M404 HydrophobicContact CE2-SD 4.36Å; F400-M404 HydrophobicContact CZ-CG 3.78Å; F400-M404 HydrophobicContact CZ-SD 3.56Å; F400-M404 VanDerWaalsContact CZ-SD 3.56Å; F400-M404 VanDerWaalsContact O-CG 3.28Å; F400-M404 WeakPolarHBondContact O-CG 3.38Å; F400-M404 PolarHBondContact O-N 3.49Å
401	S	92.7	Very high	88.7	Confident	63 Å²	63	47.1 Å²	47.1	44%	0.441	22%	0.222	S	C	.	.	H	α-helix	trans	-65.1	-36.9	176.4	-68.6	0	0	0	0	112.6	S399 R405	S399-S401 PolarHBondContact O-N 2.94Å; S399-S401 PolarHBondContact OG-N 2.9Å; S401-R405 VanDerWaalsContact O-CG 3.27Å; S401-R405 WeakPolarHBondContact O-CG 3.3Å; S401-R405 PolarHBondContact O-N 3.03Å
402	D	92	Very high	89.4	Confident	22 Å²	22	41.9 Å²	41.9	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-75.2	-38.3	175.3	-65	-47.7	0	0	0	110.9	W364 M398 S399 F400 M404 R405 N406	W364-D402 HydrophobicContact CH2-CB 4.23Å; W364-D402 HydrophobicContact CZ2-CB 3.9Å; M398-D402 HydrophobicContact CE-CB 4.47Å; S399-D402 PolarHBondContact O-N 3.19Å; S399-D402 PolarHBondContact OG-N 3.39Å; S399-D402 PolarHBondContact OG-OD2 2.9Å; F400-D402 VanDerWaalsContact C-N 3.34Å; F400-D402 PolarHBondContact O-N 3.07Å; D402-M404 PolarHBondContact O-N 2.88Å; D402-R405 PolarHBondContact O-N 2.74Å; D402-N406 PolarHBondContact O-N 3.23Å; D402-N406 PolarHBondContact O-ND2 3.33Å
403	F	92.7	Very high	90.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-52.8	-53.3	172.1	174.5	-103.5	0	0	0	111.5	L295 C318 V338 L352 I354 M398 S399 F400 R405 N406 F407 L410	L295-F403 HydrophobicContact CD1-CE1 3.69Å; L295-F403 HydrophobicContact CD1-CZ 3.72Å; L295-F403 HydrophobicContact CD2-CE1 4.34Å; C318-F403 HydrophobicContact CB-CE2 3.68Å; C318-F403 HydrophobicContact CB-CZ 3.83Å; V338-F403 HydrophobicContact CG2-CE2 4.39Å; L352-F403 HydrophobicContact CD1-CB 3.68Å; L352-F403 HydrophobicContact CD1-CD1 3.59Å; L352-F403 HydrophobicContact CD1-CD2 3.75Å; L352-F403 HydrophobicContact CD1-CE1 4.13Å; L352-F403 HydrophobicContact CD1-CE2 4.27Å; L352-F403 HydrophobicContact CD1-CG 3.36Å; L352-F403 HydrophobicContact CD1-CZ 4.45Å; I354-F403 HydrophobicContact CD1-CD2 3.7Å; I354-F403 HydrophobicContact CD1-CE2 4.22Å; M398-F403 VanDerWaalsContact SD-CA 3.52Å; M398-F403 HydrophobicContact SD-CB 3.75Å; M398-F403 HydrophobicContact SD-CD2 4.28Å; S399-F403 PolarHBondContact O-N 3.19Å; F400-F403 HydrophobicContact CD2-CD1 4.48Å; F400-F403 HydrophobicContact CE2-CD1 4.32Å; F400-F403 WeakPolarHBondContact O-CB 3.23Å; F400-F403 PolarHBondContact O-N 3.09Å; F403-R405 PolarHBondContact O-N 3.43Å; F403-R405 VanDerWaalsContact O-N 3.09Å; F403-N406 PolarHBondContact O-N 2.67Å; F403-F407 HydrophobicContact CD2-CB 4.11Å; F403-F407 HydrophobicContact CD2-CD1 4.43Å; F403-F407 AromaticContact CD2-CD2 3.33Å; F403-F407 HydrophobicContact CD2-CD2 3.33Å; F403-F407 AromaticContact CD2-CE2 3.79Å; F403-F407 HydrophobicContact CD2-CE2 3.79Å; F403-F407 AromaticContact CD2-CG 3.7Å; F403-F407 HydrophobicContact CD2-CG 3.7Å; F403-F407 HydrophobicContact CD2-CZ 4.49Å; F403-F407 HydrophobicContact CE2-CB 3.82Å; F403-F407 AromaticContact CE2-CD1 3.96Å; F403-F407 HydrophobicContact CE2-CD1 3.96Å; F403-F407 AromaticContact CE2-CD2 3.69Å; F403-F407 HydrophobicContact CE2-CD2 3.69Å; F403-F407 HydrophobicContact CE2-CE1 4.44Å; F403-F407 HydrophobicContact CE2-CE2 4.22Å; F403-F407 AromaticContact CE2-CG 3.54Å; F403-F407 HydrophobicContact CE2-CG 3.54Å; F403-F407 HydrophobicContact CG-CD2 4.2Å; F403-F407 HydrophobicContact CZ-CB 4.22Å; F403-F407 HydrophobicContact CZ-CG 4.39Å; F403-F407 WeakPolarHBondContact O-CB 3.26Å; F403-F407 PolarHBondContact O-N 2.63Å; F403-L410 HydrophobicContact CZ-CD1 4.34Å
404	M	92	Very high	91.3	Very high	47 Å²	47	31.8 Å²	31.8	23%	0.232	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-20	177.9	-68.5	-54.2	-57.6	0	0	114.5	L295 A298 A302 F400 D402	L295-M404 HydrophobicContact CB-CE 4.2Å; L295-M404 HydrophobicContact CD2-CE 3.94Å; L295-M404 HydrophobicContact CD2-SD 3.93Å; A298-M404 HydrophobicContact CB-CE 3.22Å; A302-M404 HydrophobicContact CB-CE 4.45Å; A302-M404 HydrophobicContact CB-SD 4.48Å; F400-M404 HydrophobicContact CD1-CG 3.79Å; F400-M404 HydrophobicContact CE1-CG 3.33Å; F400-M404 HydrophobicContact CE1-SD 3.75Å; F400-M404 HydrophobicContact CE2-SD 4.36Å; F400-M404 HydrophobicContact CZ-CG 3.78Å; F400-M404 HydrophobicContact CZ-SD 3.56Å; F400-M404 VanDerWaalsContact CZ-SD 3.56Å; F400-M404 VanDerWaalsContact O-CG 3.28Å; F400-M404 WeakPolarHBondContact O-CG 3.38Å; F400-M404 PolarHBondContact O-N 3.49Å; D402-M404 PolarHBondContact O-N 2.88Å
405	R	90.2	Very high	91.9	Very high	194 Å²	194	32 Å²	32	73%	0.732	15%	0.151	S	C	*	.	H	α-helix	trans	-92.9	-26.1	179.2	-72	173.9	-162.8	-174.3	7.3	113.4	S401 D402 F403	S401-R405 VanDerWaalsContact O-CG 3.27Å; S401-R405 WeakPolarHBondContact O-CG 3.3Å; S401-R405 PolarHBondContact O-N 3.03Å; D402-R405 PolarHBondContact O-N 2.74Å; F403-R405 PolarHBondContact O-N 3.43Å; F403-R405 VanDerWaalsContact O-N 3.09Å
406	N	88.6	Confident	92.1	Very high	65 Å²	65	30.5 Å²	30.5	35%	0.348	15%	0.146	S	C	.	.	H	α-helix	trans	-108	-24.9	-171.4	-67.8	-80.5	0	0	0	112.9	I320 D402 F403	I320-N406 WeakPolarHBondContact CG1-O 3.22Å; D402-N406 PolarHBondContact O-N 3.23Å; D402-N406 PolarHBondContact O-ND2 3.33Å; F403-N406 PolarHBondContact O-N 2.67Å
407	F	89.6	Confident	92	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.031	15%	0.151	C	C	.	.			trans	-101.9	144.6	177.8	-69.5	-99.6	0	0	0	110.7	L295 C318 I320 F336 I354 M398 F403	L295-F407 WeakPolarHBondContact CB-O 3.36Å; L295-F407 HydrophobicContact CD1-CB 3.63Å; C318-F407 HydrophobicContact CB-CD1 3.71Å; C318-F407 HydrophobicContact CB-CE1 4.12Å; C318-F407 HydrophobicContact CB-CG 4.46Å; C318-F407 WeakPolarHBondContact SG-CE1 3.38Å; I320-F407 HydrophobicContact CG1-CD1 4.03Å; I320-F407 HydrophobicContact CG1-CE1 4.24Å; I320-F407 HydrophobicContact CG1-CG 4.44Å; F336-F407 HydrophobicContact CB-CE1 4.24Å; F336-F407 AromaticContact CD2-CE1 3.52Å; F336-F407 HydrophobicContact CD2-CE1 3.52Å; F336-F407 AromaticContact CD2-CZ 4Å; F336-F407 HydrophobicContact CD2-CZ 4Å; F336-F407 HydrophobicContact CE2-CE1 4.14Å; F336-F407 HydrophobicContact CE2-CZ 4.41Å; F336-F407 HydrophobicContact CG-CE1 4.09Å; F336-F407 HydrophobicContact CG-CZ 4.33Å; I354-F407 HydrophobicContact CD1-CE2 3.67Å; I354-F407 HydrophobicContact CD1-CZ 3.7Å; I354-F407 HydrophobicContact CG2-CZ 4.17Å; M398-F407 HydrophobicContact CE-CE2 4.12Å; M398-F407 HydrophobicContact SD-CD2 4.3Å; M398-F407 HydrophobicContact SD-CE2 3.73Å; F403-F407 HydrophobicContact CD2-CB 4.11Å; F403-F407 HydrophobicContact CD2-CD1 4.43Å; F403-F407 AromaticContact CD2-CD2 3.33Å; F403-F407 HydrophobicContact CD2-CD2 3.33Å; F403-F407 AromaticContact CD2-CE2 3.79Å; F403-F407 HydrophobicContact CD2-CE2 3.79Å; F403-F407 AromaticContact CD2-CG 3.7Å; F403-F407 HydrophobicContact CD2-CG 3.7Å; F403-F407 HydrophobicContact CD2-CZ 4.49Å; F403-F407 HydrophobicContact CE2-CB 3.82Å; F403-F407 AromaticContact CE2-CD1 3.96Å; F403-F407 HydrophobicContact CE2-CD1 3.96Å; F403-F407 AromaticContact CE2-CD2 3.69Å; F403-F407 HydrophobicContact CE2-CD2 3.69Å; F403-F407 HydrophobicContact CE2-CE1 4.44Å; F403-F407 HydrophobicContact CE2-CE2 4.22Å; F403-F407 AromaticContact CE2-CG 3.54Å; F403-F407 HydrophobicContact CE2-CG 3.54Å; F403-F407 HydrophobicContact CG-CD2 4.2Å; F403-F407 HydrophobicContact CZ-CB 4.22Å; F403-F407 HydrophobicContact CZ-CG 4.39Å; F403-F407 WeakPolarHBondContact O-CB 3.26Å; F403-F407 PolarHBondContact O-N 2.63Å
408	E	89.8	Confident	91.7	Very high	68 Å²	68	37 Å²	37	32%	0.318	18%	0.179	S	C	.	.			trans	-108.8	-25.6	-175.8	-65.7	-174.8	-159.2	0	0	112.5	L295 T296 S319 D321	L295-E408 WeakPolarHBondContact CB-O 3.43Å; L295-E408 PolarHBondContact N-O 2.77Å; T296-E408 HydrophobicContact CG2-CB 4.13Å; T296-E408 HydrophobicContact CG2-CG 4.09Å; S319-E408 PolarHBondContact O-N 3.37Å; D321-E408 WeakPolarHBondContact CB-OE2 3.32Å
409	K	90.6	Very high	91.4	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.3	-179.9	-60.8	173.3	-172.1	158.9	0	111	L292 I293 C318 S319 D321	L292-K409 HydrophobicContact CD1-CB 4.17Å; I293-K409 WeakPolarHBondContact O-CA 3.43Å; C318-K409 CarbonylContact C-O 3.54Å; C318-K409 WeakPolarHBondContact CA-O 3.43Å; S319-K409 PolarHBondContact N-O 2.91Å; S319-K409 PolarHBondContact O-N 2.87Å; D321-K409 IonicContact OD2-NZ 2.84Å
410	L	92.3	Very high	91	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.9	172.3	169.6	68.2	0	0	0	108.7	I293 L295 V306 M316 G317 C318 F403 I412	I293-L410 HydrophobicContact CB-CB 4.31Å; I293-L410 HydrophobicContact CD1-CD2 3.94Å; I293-L410 HydrophobicContact CD1-CG 4.36Å; I293-L410 PolarHBondContact N-O 3.04Å; I293-L410 PolarHBondContact O-N 3.24Å; L295-L410 HydrophobicContact CD1-CB 4.11Å; L295-L410 HydrophobicContact CD2-CB 3.85Å; L295-L410 HydrophobicContact CD2-CD2 4.37Å; L295-L410 HydrophobicContact CG-CB 4.09Å; V306-L410 HydrophobicContact CG2-CD2 3.49Å; V306-L410 VanDerWaalsContact CG2-CD2 3.49Å; M316-L410 HydrophobicContact CB-CD1 4.39Å; G317-L410 CarbonylContact O-C 3.44Å; G317-L410 WeakPolarHBondContact O-CA 3.37Å; G317-L410 WeakPolarHBondContact O-CD1 3.26Å; C318-L410 HydrophobicContact CB-CD1 4.42Å; F403-L410 HydrophobicContact CZ-CD1 4.34Å; L410-I412 HydrophobicContact CD1-CG1 4.33Å; L410-I412 HydrophobicContact CD2-CD1 4.04Å; L410-I412 HydrophobicContact CD2-CG1 4.17Å; L410-I412 HydrophobicContact CG-CD1 4.38Å; L410-I412 HydrophobicContact CG-CG1 3.96Å
411	E	92.6	Very high	90.7	Very high	41 Å²	41	41.2 Å²	41.2	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.9	171.6	-67	-173.7	166.8	0	0	109.4	T290 E291 L292 M316 G317	T290-E411 HydrophobicContact CG2-CB 4.21Å; E291-E411 CarbonylContact O-C 3.6Å; E291-E411 VanDerWaalsContact O-CA 3.23Å; E291-E411 WeakPolarHBondContact O-CA 3.29Å; L292-E411 HydrophobicContact CD1-CG 3.67Å; M316-E411 CarbonylContact C-O 3.36Å; M316-E411 VanDerWaalsContact CA-O 3.24Å; M316-E411 WeakPolarHBondContact CA-O 3.4Å; G317-E411 PolarHBondContact N-O 3.19Å; G317-E411 PolarHBondContact O-N 3.04Å
412	I	94.9	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.1	176.8	-54.2	-177.3	0	0	0	108.8	T290 E291 I293 A309 M316 L410 N414	T290-I412 CarbonylContact C-O 3.59Å; T290-I412 WeakPolarHBondContact CA-O 3.22Å; E291-I412 PolarHBondContact N-O 2.82Å; E291-I412 PolarHBondContact O-N 3.43Å; I293-I412 HydrophobicContact CD1-CD1 3.6Å; I293-I412 HydrophobicContact CD1-CG1 4.15Å; A309-I412 HydrophobicContact CB-CD1 4.09Å; A309-I412 HydrophobicContact CB-CG2 3.6Å; M316-I412 HydrophobicContact CG-CG1 4.25Å; M316-I412 HydrophobicContact CG-CG2 4.32Å; L410-I412 HydrophobicContact CD1-CG1 4.33Å; L410-I412 HydrophobicContact CD2-CD1 4.04Å; L410-I412 HydrophobicContact CD2-CG1 4.17Å; L410-I412 HydrophobicContact CG-CD1 4.38Å; L410-I412 HydrophobicContact CG-CG1 3.96Å; I412-N414 PolarHBondContact O-N 2.84Å; I412-N414 PolarHBondContact O-ND2 2.85Å
413	C	95.4	Very high	90.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	99.1	173.7	179.4	0	0	0	0	110.2	L282 T286 T290 S314 L315	L282-C413 HydrophobicContact CB-CB 4.41Å; L282-C413 HydrophobicContact CD1-CB 4.21Å; T286-C413 PolarHBondContact OG1-SG 3.45Å; T286-C413 VanDerWaalsContact OG1-SG 3.34Å; T290-C413 HydrophobicContact CG2-CB 4.41Å; S314-C413 VanDerWaalsContact CA-O 3.23Å; S314-C413 WeakPolarHBondContact CA-O 3.07Å; S314-C413 VanDerWaalsContact CB-O 3.26Å; S314-C413 WeakPolarHBondContact CB-O 3.43Å; L315-C413 HydrophobicContact CB-CB 4.22Å; L315-C413 PolarHBondContact N-O 2.88Å; L315-C413 VanDerWaalsContact N-O 3.1Å; L315-C413 PolarHBondContact O-N 2.69Å
414	N	95.1	Very high	89.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.9	-179.4	-62	-76.6	0	0	0	111.1	G288 L289 E291 S314 I412 W436 F571	G288-N414 CarbonylContact C-O 3.42Å; G288-N414 WeakPolarHBondContact CA-O 3.35Å; L289-N414 PolarHBondContact N-O 2.8Å; L289-N414 PolarHBondContact O-N 3.05Å; L289-N414 PolarHBondContact O-ND2 2.69Å; E291-N414 PolarHBondContact OE1-ND2 2.96Å; S314-N414 PolarHBondContact OG-OD1 3.1Å; I412-N414 PolarHBondContact O-N 2.84Å; I412-N414 PolarHBondContact O-ND2 2.85Å; N414-W436 PolarHBondContact OD1-NE1 2.73Å; N414-F571 HydrophobicContact CB-CD1 4.16Å; N414-F571 HydrophobicContact CB-CE1 4.21Å
415	L	93	Very high	89.3	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-86.8	132.3	-179.9	-54.9	-178.2	0	0	0	111	L198 T286 G313 M420	L198-L415 HydrophobicContact CD1-CD1 3.98Å; L198-L415 HydrophobicContact CD1-CD2 4.37Å; L198-L415 HydrophobicContact CD2-CD1 4.32Å; T286-L415 HydrophobicContact CG2-CD2 4.18Å; G313-L415 WeakPolarHBondContact O-CD1 3.43Å; L415-M420 HydrophobicContact CB-CG 4.31Å; L415-M420 HydrophobicContact CB-SD 4.07Å; L415-M420 HydrophobicContact CD1-SD 3.88Å
416	G	89.1	Confident	89	Confident	6 Å²	6	34.5 Å²	34.5	6%	0.062	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-74.7	163.6	175.8	0	0	0	0	0	112.9	E418 V419 M420	G416-E418 VanDerWaalsContact C-N 3.29Å; G416-E418 PolarHBondContact O-N 2.57Å; G416-V419 PolarHBondContact O-N 3.36Å; G416-V419 VanDerWaalsContact O-N 3.17Å; G416-M420 PolarHBondContact O-N 2.92Å
417	P	87	Confident	88.5	Confident	22 Å²	22	32.5 Å²	32.5	14%	0.143	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-36.4	-179.5	25.2	-33.3	0	0	0	112.1	V419 M420 D421 W436 T438	P417-V419 VanDerWaalsContact C-N 3.26Å; P417-V419 PolarHBondContact O-N 3.28Å; P417-M420 PolarHBondContact O-N 2.84Å; P417-M420 VanDerWaalsContact O-N 3.14Å; P417-D421 WeakPolarHBondContact O-CB 3.47Å; P417-D421 PolarHBondContact O-N 2.78Å; P417-W436 WeakPolarHBondContact CD-O 3.3Å; P417-W436 WeakPolarHBondContact CG-O 3.36Å; P417-T438 VanDerWaalsContact CD-CG2 3.44Å; P417-T438 VanDerWaalsContact CD-OG1 3.32Å; P417-T438 WeakPolarHBondContact CD-OG1 3.5Å; P417-T438 HydrophobicContact CG-CG2 4.35Å
418	E	86.3	Confident	88	Confident	130 Å²	130	35.1 Å²	35.1	61%	0.607	19%	0.192	S	C	*	.	H	α-helix	trans	-57.6	-40.1	177.2	-61.6	-168.9	163.5	0	0	112.4	G416 E422	G416-E418 VanDerWaalsContact C-N 3.29Å; G416-E418 PolarHBondContact O-N 2.57Å; E418-E422 WeakPolarHBondContact O-CB 3.45Å; E418-E422 PolarHBondContact O-N 2.79Å
419	V	87.5	Confident	87.3	Confident	12 Å²	12	41 Å²	41	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-43.1	179	-177.3	0	0	0	0	110	L198 T286 G416 P417 E422 I423	L198-V419 HydrophobicContact CD2-CG1 3.74Å; T286-V419 WeakPolarHBondContact O-CG2 3.31Å; G416-V419 PolarHBondContact O-N 3.36Å; G416-V419 VanDerWaalsContact O-N 3.17Å; P417-V419 VanDerWaalsContact C-N 3.26Å; P417-V419 PolarHBondContact O-N 3.28Å; V419-E422 PolarHBondContact O-N 3.26Å; V419-I423 HydrophobicContact CG1-CD1 4.08Å; V419-I423 VanDerWaalsContact O-CG1 3.24Å; V419-I423 WeakPolarHBondContact O-CG1 3.42Å; V419-I423 PolarHBondContact O-N 2.93Å
420	M	86.5	Confident	86.6	Confident	36 Å²	36	44.2 Å²	44.2	18%	0.177	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-39	-179.4	-65.1	-59.4	-70.6	0	0	112.5	L415 G416 P417 I423 A424	L415-M420 HydrophobicContact CB-CG 4.31Å; L415-M420 HydrophobicContact CB-SD 4.07Å; L415-M420 HydrophobicContact CD1-SD 3.88Å; G416-M420 PolarHBondContact O-N 2.92Å; P417-M420 PolarHBondContact O-N 2.84Å; P417-M420 VanDerWaalsContact O-N 3.14Å; M420-I423 PolarHBondContact O-N 2.66Å; M420-I423 HydrophobicContact SD-CD1 4.12Å; M420-A424 PolarHBondContact O-N 2.78Å
421	D	87.3	Confident	85.2	Confident	71 Å²	71	49 Å²	49	38%	0.38	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-42.8	174.1	-73.5	-23.4	0	0	0	110.5	P417 I423 A424 E425	P417-D421 WeakPolarHBondContact O-CB 3.47Å; P417-D421 PolarHBondContact O-N 2.78Å; D421-I423 PolarHBondContact O-N 3.18Å; D421-A424 WeakPolarHBondContact O-CB 3.33Å; D421-A424 PolarHBondContact O-N 3.35Å; D421-A424 VanDerWaalsContact O-N 3.14Å; D421-E425 WeakPolarHBondContact O-CG 3.38Å; D421-E425 PolarHBondContact O-N 2.81Å
422	E	85.8	Confident	84.1	Confident	23 Å²	23	51.2 Å²	51.2	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-40.1	175.8	-174.7	164.1	-158	0	0	112.3	F82 R201 E418 V419 A424 E425 M426	F82-E422 HydrophobicContact CE2-CG 3.93Å; F82-E422 HydrophobicContact CZ-CG 3.72Å; F82-E422 WeakPolarHBondContact CZ-OE1 3.39Å; R201-E422 IonicContact CZ-OE1 2.86Å; R201-E422 IonicContact CZ-OE2 3.88Å; R201-E422 IonicContact NE-OE1 2.92Å; R201-E422 PolarHBondContact NE-OE1 2.79Å; R201-E422 IonicContact NE-OE2 3.52Å; R201-E422 PolarHBondContact NE-OE2 3.44Å; R201-E422 IonicContact NH1-OE1 3.41Å; R201-E422 PolarHBondContact NH1-OE1 3.23Å; R201-E422 IonicContact NH1-OE2 2.99Å; R201-E422 IonicContact NH2-OE1 3.28Å; R201-E422 PolarHBondContact NH2-OE1 3.4Å; R201-E422 IonicContact NH2-OE2 3.52Å; R201-E422 PolarHBondContact NH2-OE2 2.84Å; E418-E422 WeakPolarHBondContact O-CB 3.45Å; E418-E422 PolarHBondContact O-N 2.79Å; V419-E422 PolarHBondContact O-N 3.26Å; E422-A424 VanDerWaalsContact C-N 3.31Å; E422-A424 PolarHBondContact O-N 2.79Å; E422-E425 PolarHBondContact O-N 2.77Å; E422-M426 HydrophobicContact CG-CE 4.21Å; E422-M426 HydrophobicContact CG-CG 4.42Å; E422-M426 HydrophobicContact CG-SD 4.45Å; E422-M426 WeakPolarHBondContact O-CB 3.43Å; E422-M426 VanDerWaalsContact O-CG 3.29Å; E422-M426 WeakPolarHBondContact O-CG 3.18Å; E422-M426 PolarHBondContact O-N 2.83Å
423	I	85	Confident	82.6	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.072	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-43.6	172	-70.7	164	0	0	0	110.9	E197 L198 V419 M420 D421 E425 M426 T427	E197-I423 HydrophobicContact CB-CB 4.33Å; E197-I423 HydrophobicContact CB-CG1 3.89Å; E197-I423 HydrophobicContact CB-CG2 3.79Å; E197-I423 HydrophobicContact CG-CG2 3.76Å; L198-I423 HydrophobicContact CD2-CD1 3.77Å; L198-I423 HydrophobicContact CD2-CG1 4.47Å; L198-I423 HydrophobicContact CG-CD1 4.31Å; V419-I423 HydrophobicContact CG1-CD1 4.08Å; V419-I423 VanDerWaalsContact O-CG1 3.24Å; V419-I423 WeakPolarHBondContact O-CG1 3.42Å; V419-I423 PolarHBondContact O-N 2.93Å; M420-I423 PolarHBondContact O-N 2.66Å; M420-I423 HydrophobicContact SD-CD1 4.12Å; D421-I423 PolarHBondContact O-N 3.18Å; I423-E425 VanDerWaalsContact C-N 3.33Å; I423-E425 PolarHBondContact O-N 2.83Å; I423-M426 HydrophobicContact CB-CE 4.43Å; I423-M426 HydrophobicContact CG1-CE 3.96Å; I423-M426 PolarHBondContact O-N 3.27Å; I423-T427 WeakPolarHBondContact O-CG2 3.49Å; I423-T427 PolarHBondContact O-N 2.8Å; I423-T427 PolarHBondContact O-OG1 2.92Å
424	A	84.9	Confident	81.7	Confident	19 Å²	19	61.7 Å²	61.7	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-38.1	178.2	0	0	0	0	0	112	M420 D421 E422 G428 R429 R430	M420-A424 PolarHBondContact O-N 2.78Å; D421-A424 WeakPolarHBondContact O-CB 3.33Å; D421-A424 PolarHBondContact O-N 3.35Å; D421-A424 VanDerWaalsContact O-N 3.14Å; E422-A424 VanDerWaalsContact C-N 3.31Å; E422-A424 PolarHBondContact O-N 2.79Å; A424-G428 CarbonylContact O-C 3.59Å; A424-G428 WeakPolarHBondContact O-CA 3.47Å; A424-G428 PolarHBondContact O-N 2.94Å; A424-R429 PolarHBondContact O-N 3.4Å; A424-R430 HydrophobicContact CB-CB 4.24Å; A424-R430 HydrophobicContact CB-CG 4.45Å
425	E	84.8	Confident	81.3	Confident	126 Å²	126	65.2 Å²	65.2	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-68	-43.3	173.9	-70	-178.3	-174.8	0	0	112.3	F82 D421 E422 I423 T427	F82-E425 HydrophobicContact CD2-CB 3.91Å; F82-E425 HydrophobicContact CE2-CB 4.05Å; D421-E425 WeakPolarHBondContact O-CG 3.38Å; D421-E425 PolarHBondContact O-N 2.81Å; E422-E425 PolarHBondContact O-N 2.77Å; I423-E425 VanDerWaalsContact C-N 3.33Å; I423-E425 PolarHBondContact O-N 2.83Å; E425-T427 PolarHBondContact O-N 2.86Å
426	M	82.9	Confident	81.1	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-42.6	179.2	-79.5	-169.9	-59.8	0	0	112.7	I73 N76 F82 E197 R201 E422 I423	I73-M426 HydrophobicContact CG1-CB 4.32Å; N76-M426 PolarHBondContact ND2-O 3.11Å; F82-M426 HydrophobicContact CD1-CG 3.77Å; F82-M426 HydrophobicContact CD2-CG 4.2Å; F82-M426 HydrophobicContact CE1-CG 3.21Å; F82-M426 HydrophobicContact CE1-SD 3.79Å; F82-M426 HydrophobicContact CE2-CG 3.73Å; F82-M426 HydrophobicContact CG-CG 4.22Å; F82-M426 HydrophobicContact CZ-CG 3.2Å; F82-M426 HydrophobicContact CZ-SD 3.87Å; E197-M426 HydrophobicContact CB-CE 4.33Å; E197-M426 WeakPolarHBondContact O-CE 2.99Å; R201-M426 HydrophobicContact CB-CE 4.33Å; E422-M426 HydrophobicContact CG-CE 4.21Å; E422-M426 HydrophobicContact CG-CG 4.42Å; E422-M426 HydrophobicContact CG-SD 4.45Å; E422-M426 WeakPolarHBondContact O-CB 3.43Å; E422-M426 VanDerWaalsContact O-CG 3.29Å; E422-M426 WeakPolarHBondContact O-CG 3.18Å; E422-M426 PolarHBondContact O-N 2.83Å; I423-M426 HydrophobicContact CB-CE 4.43Å; I423-M426 HydrophobicContact CG1-CE 3.96Å; I423-M426 PolarHBondContact O-N 3.27Å
427	T	79.2	Confident	81.2	Confident	23 Å²	23	67.1 Å²	67.1	14%	0.141	34%	0.335	C	S	.	.	H	α-helix	trans	-94.5	-15.9	-176	60.8	0	0	0	0	113.5	E197 I423 E425 R429	E197-T427 HydrophobicContact CB-CG2 4.45Å; E197-T427 HydrophobicContact CG-CG2 3.32Å; I423-T427 WeakPolarHBondContact O-CG2 3.49Å; I423-T427 PolarHBondContact O-N 2.8Å; I423-T427 PolarHBondContact O-OG1 2.92Å; E425-T427 PolarHBondContact O-N 2.86Å; T427-R429 PolarHBondContact O-N 2.9Å; T427-R429 PolarHBondContact OG1-N 3.18Å; T427-R429 PolarHBondContact OG1-O 2.84Å
428	G	78.1	Confident	81.4	Confident	63 Å²	63	68.2 Å²	68.2	65%	0.649	34%	0.341	S	S	*	.	S	Bend	trans	67.4	12.8	-169	0	0	0	0	0	113.7	A424	A424-G428 CarbonylContact O-C 3.59Å; A424-G428 WeakPolarHBondContact O-CA 3.47Å; A424-G428 PolarHBondContact O-N 2.94Å
429	R	75.9	Confident	81.8	Confident	192 Å²	192	63 Å²	63	73%	0.725	32%	0.319	S	S	*	.			trans	-129.8	119.8	-179.2	-69.2	-173.5	-178.9	-171.7	1.5	110.4	A424 T427 V431	A424-R429 PolarHBondContact O-N 3.4Å; T427-R429 PolarHBondContact O-N 2.9Å; T427-R429 PolarHBondContact OG1-N 3.18Å; T427-R429 PolarHBondContact OG1-O 2.84Å; R429-V431 PolarHBondContact O-N 2.69Å
430	R	74.9	Confident	82.1	Confident	143 Å²	143	65.6 Å²	65.6	54%	0.54	33%	0.334	S	S	.	.			trans	-80.4	111	167.3	-167.3	170.4	-176.5	150.6	4.2	108.6	A424 R432	A424-R430 HydrophobicContact CB-CB 4.24Å; A424-R430 HydrophobicContact CB-CG 4.45Å; R430-R432 WeakPolarHBondContact CG-O 3.24Å; R430-R432 PolarHBondContact NE-O 2.94Å
431	V	64.1	Low	82.5	Confident	102 Å²	102	65.3 Å²	65.3	62%	0.618	33%	0.333	S	S	*	.			trans	-78	-30.3	-176.3	-173.7	0	0	0	0	111.4	R429	R429-V431 PolarHBondContact O-N 2.69Å
432	R	67.9	Low	82.8	Confident	87 Å²	87	66.5 Å²	66.5	33%	0.328	34%	0.339	S	S	.	.			trans	-143.2	150.3	-168.7	-55	-169.8	176.3	-101.4	2.7	113.5	F310 E311 R430	F310-R432 PolarHBondContact O-NH2 3.26Å; E311-R432 VanDerWaalsContact C-NH1 3.3Å; E311-R432 VanDerWaalsContact CA-NH1 3.27Å; E311-R432 WeakPolarHBondContact O-CD 3.41Å; E311-R432 PolarHBondContact O-NE 2.85Å; E311-R432 PolarHBondContact O-NH1 2.9Å; R430-R432 WeakPolarHBondContact CG-O 3.24Å; R430-R432 PolarHBondContact NE-O 2.94Å
433	M	63.6	Low	83.1	Confident	152 Å²	152	66.1 Å²	66.1	75%	0.749	34%	0.341	S	S	*	.	S	Bend	trans	-93.9	-41.9	177.5	-72.1	-75.1	163.3	0	0	111.4	H435	M433-H435 PolarHBondContact O-CD2 2.86Å
434	D	77.9	Confident	83.5	Confident	68 Å²	68	67.2 Å²	67.2	36%	0.364	35%	0.347	S	S	.	.			trans	-76.2	134.5	178.9	-68.6	7.9	0	0	0	110.7	R308 L312	R308-D434 IonicContact CZ-OD2 3.13Å; R308-D434 IonicContact NH1-OD2 2.71Å; R308-D434 PolarHBondContact NH1-OD2 2.77Å; R308-D434 IonicContact NH2-OD2 3.75Å; R308-D434 PolarHBondContact NH2-OD2 3.23Å; L312-D434 HydrophobicContact CD2-CB 3.83Å
435	H	84.9	Confident	84	Confident	75 Å²	75	66.3 Å²	66.3	35%	0.347	34%	0.34	S	S	.	.			trans	-147.8	161.9	177.3	61.6	81.5	0	0	0	110.1	M433	M433-H435 PolarHBondContact O-CD2 2.86Å
436	W	89.9	Confident	84.4	Confident	8 Å²	8	61.7 Å²	61.7	3%	0.03	32%	0.318	C	S	.	.			trans	-69.4	142.5	167.8	-66.7	104.4	0	0	0	110.4	L312 N414 P417 T438 T484 I486 F571	L312-W436 HydrophobicContact CD1-CD2 4.28Å; L312-W436 HydrophobicContact CD1-CH2 4.43Å; L312-W436 HydrophobicContact CD1-CZ2 3.63Å; N414-W436 PolarHBondContact OD1-NE1 2.73Å; P417-W436 WeakPolarHBondContact CD-O 3.3Å; P417-W436 WeakPolarHBondContact CG-O 3.36Å; W436-T438 HydrophobicContact CB-CG2 4.03Å; W436-T484 HydrophobicContact CH2-CG2 3.98Å; W436-T484 HydrophobicContact CZ3-CG2 4.17Å; W436-I486 HydrophobicContact CH2-CD1 3.6Å; W436-I486 HydrophobicContact CH2-CG1 4.38Å; W436-I486 HydrophobicContact CZ2-CD1 3.82Å; W436-I486 HydrophobicContact CZ3-CD1 4.09Å; W436-F571 HydrophobicContact CB-CD1 3.76Å; W436-F571 HydrophobicContact CB-CE1 4.4Å; W436-F571 AromaticContact CD1-CD1 3.97Å; W436-F571 HydrophobicContact CD2-CB 4.23Å; W436-F571 HydrophobicContact CD2-CD1 4.08Å; W436-F571 HydrophobicContact CE3-CB 4Å; W436-F571 AromaticContact CG-CD1 3.66Å; W436-F571 HydrophobicContact CG-CD1 3.66Å; W436-F571 HydrophobicContact CG-CE1 4.42Å
437	N	90.2	Very high	84.9	Confident	42 Å²	42	69.8 Å²	69.8	23%	0.225	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.1	155.5	-70.9	-46.5	0	0	0	108.2	F571 T572 G574 L576	N437-F571 CarbonylContact O-C 3.43Å; N437-F571 WeakPolarHBondContact O-CA 3.45Å; N437-T572 HydrophobicContact CB-CG2 4.26Å; N437-T572 PolarHBondContact N-O 3.07Å; N437-T572 PolarHBondContact O-N 2.8Å; N437-G574 WeakPolarHBondContact CB-O 3.47Å; N437-G574 PolarHBondContact ND2-O 3.5Å; N437-L576 HydrophobicContact CB-CB 4.46Å
438	T	92.9	Very high	85.4	Confident	45 Å²	45	71.5 Å²	71.5	28%	0.276	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.5	-172.5	59.9	0	0	0	0	112.3	P417 W436 V570 F571	P417-T438 VanDerWaalsContact CD-CG2 3.44Å; P417-T438 VanDerWaalsContact CD-OG1 3.32Å; P417-T438 WeakPolarHBondContact CD-OG1 3.5Å; P417-T438 HydrophobicContact CG-CG2 4.35Å; W436-T438 HydrophobicContact CB-CG2 4.03Å; T438-V570 CarbonylContact C-O 3.59Å; T438-V570 WeakPolarHBondContact CA-O 3.36Å; T438-F571 HydrophobicContact CG2-CD1 3.63Å; T438-F571 HydrophobicContact CG2-CD2 3.85Å; T438-F571 HydrophobicContact CG2-CE1 3.6Å; T438-F571 HydrophobicContact CG2-CE2 3.8Å; T438-F571 HydrophobicContact CG2-CG 3.75Å; T438-F571 HydrophobicContact CG2-CZ 3.68Å
439	S	93.1	Very high	86.1	Confident	19 Å²	19	76.8 Å²	76.8	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.8	166	-176.9	0	0	0	0	110.8	H441 R569 V570 T578	S439-H441 PolarHBondContact OG-NE2 2.86Å; S439-H441 VanDerWaalsContact OG-NE2 3.12Å; S439-R569 WeakPolarHBondContact O-CA 3.39Å; S439-V570 PolarHBondContact N-O 2.95Å; S439-V570 PolarHBondContact O-N 2.93Å; S439-T578 PolarHBondContact OG-OG1 3.04Å
440	V	93.6	Very high	87	Confident	67 Å²	67	68.5 Å²	68.5	41%	0.406	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132	179.8	-179.1	0	0	0	0	109.3	M567 V568 R569	V440-M567 HydrophobicContact CG1-CE 3.57Å; V440-M567 HydrophobicContact CG1-CG 3.55Å; V440-M567 HydrophobicContact CG1-SD 3.48Å; V440-M567 WeakPolarHBondContact CG1-SD 3.4Å; V440-V568 CarbonylContact C-O 3.59Å; V440-V568 VanDerWaalsContact CA-O 3.31Å; V440-V568 WeakPolarHBondContact CA-O 3.45Å; V440-R569 HydrophobicContact CG2-CG 4.4Å
441	H	94.7	Very high	88	Confident	30 Å²	30	61.9 Å²	61.9	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.1	175.6	-65.5	-84.8	0	0	0	111	S439 Y467 M567 V568 T578	S439-H441 PolarHBondContact OG-NE2 2.86Å; S439-H441 VanDerWaalsContact OG-NE2 3.12Å; H441-Y467 HydrophobicContact CB-CD1 3.69Å; H441-Y467 HydrophobicContact CB-CE1 3.37Å; H441-Y467 AromaticContact CG-CD1 3.67Å; H441-Y467 AromaticContact CG-CE1 3.83Å; H441-M567 CarbonylContact O-C 3.6Å; H441-M567 WeakPolarHBondContact O-CA 3.36Å; H441-V568 HydrophobicContact CB-CB 4.37Å; H441-V568 PolarHBondContact N-O 3.36Å; H441-V568 PolarHBondContact O-N 3.49Å; H441-T578 PolarHBondContact CE1-OG1 3.18Å; H441-T578 VanDerWaalsContact NE2-CB 3.28Å; H441-T578 WeakPolarHBondContact NE2-CB 3.37Å; H441-T578 PolarHBondContact NE2-OG1 2.75Å
442	D	93.6	Very high	89.4	Confident	97 Å²	97	57 Å²	57	52%	0.519	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.9	171.6	-67.9	-47.2	0	0	0	111.2	Y467 K492 M567	D442-Y467 PolarHBondContact O-OH 3.13Å; D442-K492 VanDerWaalsContact CG-NZ 3.25Å; D442-K492 VanDerWaalsContact OD1-CE 3.27Å; D442-K492 WeakPolarHBondContact OD1-CE 3.2Å; D442-K492 IonicContact OD1-NZ 2.79Å; D442-K492 PolarHBondContact OD1-NZ 2.71Å; D442-K492 IonicContact OD2-NZ 3.36Å; D442-M567 WeakPolarHBondContact OD1-CE 3.47Å
443	G	93.7	Very high	90.7	Very high	15 Å²	15	52.9 Å²	52.9	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	171.4	-179.2	0	0	0	0	0	113.4	Y467 F566	G443-Y467 WeakPolarHBondContact CA-OH 3.36Å; G443-F566 VanDerWaalsContact C-CE1 3.46Å; G443-F566 PolarHBondContact N-O 2.75Å; G443-F566 PolarHBondContact O-N 2.84Å
444	I	93.7	Very high	92.1	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.4	-176.9	-174.1	171.3	0	0	0	110.2	P98 M446 S450 G564 E565 F566	P98-I444 HydrophobicContact CB-CD1 3.46Å; P98-I444 VanDerWaalsContact CB-CD1 3.46Å; P98-I444 HydrophobicContact CB-CG1 3.78Å; P98-I444 HydrophobicContact CG-CD1 3.79Å; P98-I444 HydrophobicContact CG-CG1 3.8Å; I444-M446 HydrophobicContact CD1-CE 3.65Å; I444-S450 WeakPolarHBondContact O-CB 2.85Å; I444-S450 PolarHBondContact O-OG 3.1Å; I444-G564 CarbonylContact C-O 3.53Å; I444-G564 WeakPolarHBondContact CA-O 3.33Å; I444-E565 HydrophobicContact CG1-CG 4.44Å; I444-F566 VanDerWaalsContact N-CE1 3.26Å
445	W	94.8	Very high	92.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118	162.5	-59.3	-61.6	0	0	0	108.6	A451 V489 Q491 I507 P555 T557 E562 E563 G564 F566	W445-A451 HydrophobicContact CB-CB 4.03Å; W445-V489 HydrophobicContact CH2-CG1 4.04Å; W445-V489 HydrophobicContact CZ2-CG1 4.2Å; W445-Q491 HydrophobicContact CZ3-CB 4.47Å; W445-I507 HydrophobicContact CH2-CB 4.26Å; W445-I507 HydrophobicContact CH2-CG2 3.54Å; W445-I507 HydrophobicContact CZ2-CG2 4.44Å; W445-I507 HydrophobicContact CZ3-CG2 3.83Å; W445-P555 HydrophobicContact CZ2-CB 4.11Å; W445-P555 PolarHBondContact NE1-O 3.19Å; W445-P555 VanDerWaalsContact NE1-O 3.1Å; W445-T557 HydrophobicContact CD2-CG2 3.69Å; W445-T557 HydrophobicContact CE3-CG2 3.67Å; W445-T557 HydrophobicContact CG-CG2 4.14Å; W445-T557 HydrophobicContact CH2-CG2 4.43Å; W445-T557 HydrophobicContact CZ2-CG2 4.44Å; W445-T557 HydrophobicContact CZ3-CG2 4.06Å; W445-E562 WeakPolarHBondContact CB-O 3.29Å; W445-E563 VanDerWaalsContact O-CA 3.22Å; W445-E563 WeakPolarHBondContact O-CA 3.23Å; W445-G564 PolarHBondContact N-O 3.4Å; W445-G564 PolarHBondContact O-N 3.36Å; W445-F566 AromaticContact CD1-CE1 3.8Å; W445-F566 AromaticContact CD2-CD1 3.4Å; W445-F566 HydrophobicContact CD2-CD1 3.4Å; W445-F566 VanDerWaalsContact CD2-CD1 3.4Å; W445-F566 AromaticContact CD2-CE1 3.77Å; W445-F566 HydrophobicContact CD2-CE1 3.77Å; W445-F566 HydrophobicContact CD2-CG 4.37Å; W445-F566 AromaticContact CE2-CD1 3.36Å; W445-F566 AromaticContact CE2-CE1 3.53Å; W445-F566 HydrophobicContact CE3-CB 4.27Å; W445-F566 AromaticContact CE3-CD1 3.63Å; W445-F566 HydrophobicContact CE3-CD1 3.63Å; W445-F566 HydrophobicContact CE3-CE1 4.44Å; W445-F566 HydrophobicContact CE3-CG 4.34Å; W445-F566 HydrophobicContact CG-CD1 4.01Å; W445-F566 AromaticContact CG-CE1 3.95Å; W445-F566 HydrophobicContact CG-CE1 3.95Å; W445-F566 HydrophobicContact CH2-CB 3.59Å; W445-F566 AromaticContact CH2-CD1 3.8Å; W445-F566 HydrophobicContact CH2-CD1 3.8Å; W445-F566 AromaticContact CH2-CG 3.8Å; W445-F566 HydrophobicContact CH2-CG 3.8Å; W445-F566 HydrophobicContact CZ2-CB 4.16Å; W445-F566 AromaticContact CZ2-CD1 3.59Å; W445-F566 HydrophobicContact CZ2-CD1 3.59Å; W445-F566 HydrophobicContact CZ2-CE1 4.05Å; W445-F566 AromaticContact CZ2-CG 3.84Å; W445-F566 HydrophobicContact CZ2-CG 3.84Å; W445-F566 HydrophobicContact CZ3-CB 3.66Å; W445-F566 AromaticContact CZ3-CD1 3.82Å; W445-F566 HydrophobicContact CZ3-CD1 3.82Å; W445-F566 HydrophobicContact CZ3-CG 4.07Å; W445-F566 AromaticContact NE1-CD1 3.87Å; W445-F566 AromaticContact NE1-CE1 3.51Å
446	M	93.7	Very high	92.8	Very high	29 Å²	29	48.3 Å²	48.3	14%	0.143	25%	0.252	C	S	.	.			trans	-127.2	133.4	-178.8	-174.5	175.8	-73.1	0	0	110.1	P98 P100 I444 G448 R449 S450 A451	P98-M446 WeakPolarHBondContact O-CE 2.94Å; P100-M446 HydrophobicContact CG-CE 3.93Å; I444-M446 HydrophobicContact CD1-CE 3.65Å; M446-G448 PolarHBondContact O-N 3.06Å; M446-R449 HydrophobicContact CB-CB 4.35Å; M446-R449 PolarHBondContact O-N 2.83Å; M446-S450 PolarHBondContact N-OG 3.48Å; M446-S450 PolarHBondContact O-N 2.81Å; M446-A451 WeakPolarHBondContact O-CB 3.11Å; M446-A451 PolarHBondContact O-N 2.84Å
447	R	93.1	Very high	92.9	Very high	171 Å²	171	51 Å²	51	65%	0.645	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.4	-177.5	178.7	167.5	-173.2	-170.4	2	111	R449 N561 E563	R447-R449 PolarHBondContact O-N 3.04Å; R447-N561 HydrophobicContact CB-CB 4.41Å; R447-N561 HydrophobicContact CG-CB 3.84Å; R447-E563 HydrophobicContact CB-CG 3.95Å; R447-E563 VanDerWaalsContact CB-OE1 3.23Å; R447-E563 WeakPolarHBondContact CB-OE1 3.44Å; R447-E563 PolarHBondContact N-OE1 2.99Å
448	G	89.6	Confident	92.7	Very high	60 Å²	60	51.6 Å²	51.6	62%	0.619	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	4.8	179.4	0	0	0	0	0	115.6	M446	M446-G448 PolarHBondContact O-N 3.06Å
449	R	92	Very high	92.5	Very high	174 Å²	174	60.1 Å²	60.1	66%	0.657	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-59	176.6	-68.2	-174.4	67	-160.1	0.2	112.7	M446 R447	M446-R449 HydrophobicContact CB-CB 4.35Å; M446-R449 PolarHBondContact O-N 2.83Å; R447-R449 PolarHBondContact O-N 3.04Å
450	S	94.4	Very high	92.5	Very high	18 Å²	18	61.1 Å²	61.1	13%	0.126	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-5.1	-172.7	57	0	0	0	0	114.7	I444 M446 G452 M463 N464	I444-S450 WeakPolarHBondContact O-CB 2.85Å; I444-S450 PolarHBondContact O-OG 3.1Å; M446-S450 PolarHBondContact N-OG 3.48Å; M446-S450 PolarHBondContact O-N 2.81Å; S450-G452 PolarHBondContact O-N 2.98Å; S450-G452 VanDerWaalsContact O-N 3.16Å; S450-M463 VanDerWaalsContact CA-O 3.29Å; S450-M463 WeakPolarHBondContact CA-O 3.44Å; S450-N464 WeakPolarHBondContact O-CA 3.27Å; S450-N464 PolarHBondContact O-OD1 2.9Å
451	A	95.7	Very high	92.5	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.033	29%	0.289	C	S	.	.			trans	-87.1	70.7	175.3	0	0	0	0	0	111.4	W445 M446 N561 E562	W445-A451 HydrophobicContact CB-CB 4.03Å; M446-A451 WeakPolarHBondContact O-CB 3.11Å; M446-A451 PolarHBondContact O-N 2.84Å; A451-N561 PolarHBondContact O-N 2.95Å; A451-E562 VanDerWaalsContact CB-O 3.27Å; A451-E562 WeakPolarHBondContact CB-O 3.22Å
452	G	95.2	Very high	92.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.			trans	-78.7	-17.9	-172.3	0	0	0	0	0	115.9	S450 T460 N464	S450-G452 PolarHBondContact O-N 2.98Å; S450-G452 VanDerWaalsContact O-N 3.16Å; G452-T460 WeakPolarHBondContact CA-O 3.43Å; G452-T460 CarbonylContact O-C 3.21Å; G452-T460 WeakPolarHBondContact O-CB 3.31Å; G452-T460 PolarHBondContact O-OG1 3.34Å; G452-N464 WeakPolarHBondContact CA-OD1 3.37Å; G452-N464 PolarHBondContact N-OD1 3.03Å
453	G	94.7	Very high	92.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.			trans	76	-172	-173.6	0	0	0	0	0	112.1	F461 N464 S556 T557	G453-F461 WeakPolarHBondContact O-CD2 3.24Å; G453-N464 PolarHBondContact O-ND2 3.01Å; G453-S556 WeakPolarHBondContact O-CB 3.43Å; G453-S556 PolarHBondContact O-OG 2.9Å; G453-T557 CarbonylContact C-O 3.52Å; G453-T557 WeakPolarHBondContact CA-O 3.4Å
454	C	92.7	Very high	92.2	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.027	27%	0.272	C	S	.	.			trans	-82.5	178.9	-179.1	70.5	0	0	0	0	114.2	N456 F457 F534 T557 Y558	C454-N456 PolarHBondContact O-N 3.04Å; C454-F457 PolarHBondContact O-N 2.81Å; C454-F534 HydrophobicContact CB-CD2 4.36Å; C454-F534 HydrophobicContact CB-CE1 3.96Å; C454-F534 HydrophobicContact CB-CE2 3.58Å; C454-F534 HydrophobicContact CB-CZ 3.35Å; C454-T557 PolarHBondContact N-O 2.99Å; C454-T557 VanDerWaalsContact N-O 3.14Å; C454-Y558 HydrophobicContact CB-CD2 4.4Å; C454-Y558 PolarHBondContact N-O 2.97Å; C454-Y558 VanDerWaalsContact N-O 3.14Å; C454-Y558 PolarHBondContact SG-O 2.93Å
455	K	88.5	Confident	92.2	Very high	69 Å²	69	54.1 Å²	54.1	30%	0.3	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.6	-178.9	-81.4	-169.7	170	-179.1	0	115	F457 F461 V510 S525	K455-F457 PolarHBondContact O-N 3.45Å; K455-F461 HydrophobicContact CD-CE1 4.27Å; K455-F461 HydrophobicContact CD-CZ 4.48Å; K455-F461 HydrophobicContact CG-CD1 3.81Å; K455-F461 HydrophobicContact CG-CD2 4.17Å; K455-F461 HydrophobicContact CG-CE1 3.51Å; K455-F461 HydrophobicContact CG-CE2 3.93Å; K455-F461 HydrophobicContact CG-CG 4.16Å; K455-F461 HydrophobicContact CG-CZ 3.6Å; K455-V510 HydrophobicContact CD-CG1 4.13Å; K455-V510 VanDerWaalsContact CE-CG1 3.41Å; K455-V510 VanDerWaalsContact NZ-CG1 3.34Å; K455-S525 PolarHBondContact NZ-O 2.89Å
456	N	90	Very high	92.1	Very high	126 Å²	126	54.2 Å²	54.2	67%	0.674	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	173.4	-65.6	-20.7	0	0	0	112.4	C454	C454-N456 PolarHBondContact O-N 3.04Å
457	F	91.5	Very high	92.1	Very high	64 Å²	64	53.1 Å²	53.1	28%	0.281	26%	0.26	S	S	.	.			trans	-105.3	61.7	178.8	-56.4	-85	0	0	0	111.3	C454 K455 R459 T460 F461 Y558 P560	C454-F457 PolarHBondContact O-N 2.81Å; K455-F457 PolarHBondContact O-N 3.45Å; F457-R459 PolarHBondContact O-N 3.04Å; F457-T460 WeakPolarHBondContact CB-OG1 3.48Å; F457-T460 PolarHBondContact O-N 3Å; F457-T460 PolarHBondContact O-OG1 2.98Å; F457-F461 PolarHBondContact O-N 3.2Å; F457-Y558 WeakPolarHBondContact CE2-O 3.37Å; F457-P560 HydrophobicContact CD1-CG 3.83Å; F457-P560 HydrophobicContact CD2-CG 4.48Å; F457-P560 HydrophobicContact CE1-CG 3.94Å; F457-P560 HydrophobicContact CG-CG 4.12Å; F457-P560 HydrophobicContact CZ-CG 4.33Å
458	A	86.3	Confident	91.9	Very high	54 Å²	54	45.8 Å²	45.8	45%	0.446	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-26.6	-172.4	0	0	0	0	0	115.8
459	R	89	Confident	92	Very high	225 Å²	225	43 Å²	43	85%	0.849	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-27.6	178.6	-66.2	-173.8	-180	-163	0.2	114.1	F457	F457-R459 PolarHBondContact O-N 3.04Å
460	T	92.8	Very high	91.9	Very high	40 Å²	40	36.4 Å²	36.4	25%	0.245	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-15.3	-174	53.6	0	0	0	0	112.5	G452 F457 A462 M463	G452-T460 WeakPolarHBondContact CA-O 3.43Å; G452-T460 CarbonylContact O-C 3.21Å; G452-T460 WeakPolarHBondContact O-CB 3.31Å; G452-T460 PolarHBondContact O-OG1 3.34Å; F457-T460 WeakPolarHBondContact CB-OG1 3.48Å; F457-T460 PolarHBondContact O-N 3Å; F457-T460 PolarHBondContact O-OG1 2.98Å; T460-A462 PolarHBondContact O-N 3.37Å; T460-M463 HydrophobicContact CG2-CE 4.16Å; T460-M463 HydrophobicContact CG2-SD 4Å; T460-M463 WeakPolarHBondContact O-CB 3.24Å; T460-M463 VanDerWaalsContact O-CG 3.32Å; T460-M463 WeakPolarHBondContact O-CG 3.48Å; T460-M463 PolarHBondContact O-N 3.16Å
461	F	91.9	Very high	91.7	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-54.9	-37.6	-178.8	-176.1	-111.8	0	0	0	113.5	G453 K455 F457 M463 N464 V510 L522 I554	G453-F461 WeakPolarHBondContact O-CD2 3.24Å; K455-F461 HydrophobicContact CD-CE1 4.27Å; K455-F461 HydrophobicContact CD-CZ 4.48Å; K455-F461 HydrophobicContact CG-CD1 3.81Å; K455-F461 HydrophobicContact CG-CD2 4.17Å; K455-F461 HydrophobicContact CG-CE1 3.51Å; K455-F461 HydrophobicContact CG-CE2 3.93Å; K455-F461 HydrophobicContact CG-CG 4.16Å; K455-F461 HydrophobicContact CG-CZ 3.6Å; F457-F461 PolarHBondContact O-N 3.2Å; F461-M463 PolarHBondContact O-N 3.44Å; F461-N464 WeakPolarHBondContact CD2-ND2 3.34Å; F461-N464 PolarHBondContact O-N 3.26Å; F461-N464 PolarHBondContact O-ND2 3.11Å; F461-V510 HydrophobicContact CZ-CB 4.29Å; F461-V510 HydrophobicContact CZ-CG2 4.4Å; F461-L522 HydrophobicContact CD1-CB 3.94Å; F461-L522 HydrophobicContact CD1-CD1 3.58Å; F461-L522 HydrophobicContact CD1-CD2 4.45Å; F461-L522 HydrophobicContact CD1-CG 4.19Å; F461-L522 HydrophobicContact CE1-CB 4.28Å; F461-L522 HydrophobicContact CE1-CD1 3.88Å; F461-L522 HydrophobicContact CE1-CD2 4.05Å; F461-L522 HydrophobicContact CE1-CG 4.29Å; F461-I554 HydrophobicContact CE1-CD1 4.19Å; F461-I554 HydrophobicContact CE2-CG2 4.31Å; F461-I554 HydrophobicContact CZ-CB 4.35Å; F461-I554 HydrophobicContact CZ-CD1 4.41Å; F461-I554 HydrophobicContact CZ-CG2 3.94Å
462	A	89.7	Confident	91.1	Very high	10 Å²	10	38.7 Å²	38.7	8%	0.083	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.3	-9.3	177.1	0	0	0	0	0	114.4	T460 N464 Q466 C519 L522	T460-A462 PolarHBondContact O-N 3.37Å; A462-N464 VanDerWaalsContact C-N 3.3Å; A462-Q466 PolarHBondContact O-NE2 3.14Å; A462-C519 HydrophobicContact CB-CB 4.25Å; A462-C519 WeakPolarHBondContact CB-SG 3.37Å; A462-L522 VanDerWaalsContact CA-CD1 3.47Å; A462-L522 HydrophobicContact CB-CD1 3.63Å
463	M	92.4	Very high	90.5	Very high	78 Å²	78	41.8 Å²	41.8	38%	0.384	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-77	-20.7	174.2	-58	177.6	175.8	0	0	111.5	S450 T460 F461	S450-M463 VanDerWaalsContact CA-O 3.29Å; S450-M463 WeakPolarHBondContact CA-O 3.44Å; T460-M463 HydrophobicContact CG2-CE 4.16Å; T460-M463 HydrophobicContact CG2-SD 4Å; T460-M463 WeakPolarHBondContact O-CB 3.24Å; T460-M463 VanDerWaalsContact O-CG 3.32Å; T460-M463 WeakPolarHBondContact O-CG 3.48Å; T460-M463 PolarHBondContact O-N 3.16Å; F461-M463 PolarHBondContact O-N 3.44Å
464	N	94.4	Very high	89.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-60.5	150	177.4	-66.7	-63.4	0	0	0	110.9	S450 G452 G453 F461 A462 Q466 I554	S450-N464 WeakPolarHBondContact O-CA 3.27Å; S450-N464 PolarHBondContact O-OD1 2.9Å; G452-N464 WeakPolarHBondContact CA-OD1 3.37Å; G452-N464 PolarHBondContact N-OD1 3.03Å; G453-N464 PolarHBondContact O-ND2 3.01Å; F461-N464 WeakPolarHBondContact CD2-ND2 3.34Å; F461-N464 PolarHBondContact O-N 3.26Å; F461-N464 PolarHBondContact O-ND2 3.11Å; A462-N464 VanDerWaalsContact C-N 3.3Å; N464-Q466 WeakPolarHBondContact O-CG 3.41Å; N464-I554 HydrophobicContact CB-CG2 3.6Å
465	P	94.4	Very high	88.7	Confident	7 Å²	7	43 Å²	43	5%	0.045	22%	0.224	C	C	.	.			trans	-56	145.2	175.8	-28.5	40.4	0	0	0	111.8	Y467 P555 F566 Q582	P465-Y467 HydrophobicContact CB-CE2 3.77Å; P465-P555 WeakPolarHBondContact O-CD 3.28Å; P465-F566 HydrophobicContact CB-CZ 3.97Å; P465-F566 HydrophobicContact CG-CE1 4.05Å; P465-F566 HydrophobicContact CG-CZ 3.75Å; P465-Q582 VanDerWaalsContact CA-O 3.29Å; P465-Q582 WeakPolarHBondContact CA-O 3.43Å
466	Q	92.7	Very high	87.7	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	25%	0.247	C	C	.	.			trans	-126.6	127.9	-177.2	-58.8	-171.2	40.4	0	0	109.7	A462 N464 L517 V552 I554 L581 Q582	A462-Q466 PolarHBondContact O-NE2 3.14Å; N464-Q466 WeakPolarHBondContact O-CG 3.41Å; Q466-L517 PolarHBondContact NE2-O 3.08Å; Q466-V552 HydrophobicContact CB-CG1 3.84Å; Q466-V552 HydrophobicContact CG-CG1 4.38Å; Q466-I554 HydrophobicContact CG-CD1 4.25Å; Q466-I554 HydrophobicContact CG-CG1 4.17Å; Q466-L581 HydrophobicContact CB-CB 4.13Å; Q466-L581 HydrophobicContact CB-CD1 4.41Å; Q466-L581 WeakPolarHBondContact O-CB 3.44Å; Q466-L581 PolarHBondContact O-N 2.6Å; Q466-Q582 PolarHBondContact N-O 3.38Å; Q466-Q582 PolarHBondContact O-N 3.47Å
467	Y	92.2	Very high	86.7	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.7	-178.9	-59.5	-89.6	0	0	0	109.4	H441 D442 G443 P465 V552 L553 P555 F566 V568 E579 V580	H441-Y467 HydrophobicContact CB-CD1 3.69Å; H441-Y467 HydrophobicContact CB-CE1 3.37Å; H441-Y467 AromaticContact CG-CD1 3.67Å; H441-Y467 AromaticContact CG-CE1 3.83Å; D442-Y467 PolarHBondContact O-OH 3.13Å; G443-Y467 WeakPolarHBondContact CA-OH 3.36Å; P465-Y467 HydrophobicContact CB-CE2 3.77Å; Y467-V552 CarbonylContact O-C 3.57Å; Y467-V552 VanDerWaalsContact O-CA 3.3Å; Y467-V552 WeakPolarHBondContact O-CA 3.4Å; Y467-L553 PolarHBondContact N-O 3.37Å; Y467-L553 PolarHBondContact O-N 3.28Å; Y467-P555 HydrophobicContact CD2-CG 4.12Å; Y467-P555 HydrophobicContact CE2-CG 3.64Å; Y467-F566 HydrophobicContact CE2-CE2 4.01Å; Y467-F566 HydrophobicContact CE2-CZ 4.25Å; Y467-F566 WeakPolarHBondContact OH-CE2 3.4Å; Y467-V568 HydrophobicContact CD2-CG2 4.1Å; Y467-V568 HydrophobicContact CE2-CG2 3.86Å; Y467-E579 CarbonylContact C-O 3.45Å; Y467-E579 WeakPolarHBondContact CA-O 3.29Å; Y467-V580 HydrophobicContact CD1-CB 4.43Å; Y467-V580 HydrophobicContact CD1-CG1 4.41Å; Y467-V580 HydrophobicContact CD1-CG2 3.96Å; Y467-V580 HydrophobicContact CE1-CB 4.42Å; Y467-V580 HydrophobicContact CE1-CG1 4.08Å; Y467-V580 HydrophobicContact CE1-CG2 3.83Å
468	A	90.9	Very high	85.9	Confident	17 Å²	17	44.1 Å²	44.1	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	137.4	170.8	0	0	0	0	0	109.7	Y551 T578 E579 L581	A468-Y551 CarbonylContact C-O 3.34Å; A468-Y551 WeakPolarHBondContact CA-O 3.06Å; A468-T578 WeakPolarHBondContact O-CA 3.36Å; A468-T578 WeakPolarHBondContact O-CB 3.43Å; A468-E579 HydrophobicContact CB-CB 4.27Å; A468-E579 PolarHBondContact N-O 3.49Å; A468-E579 PolarHBondContact O-N 3.49Å; A468-L581 HydrophobicContact CB-CD1 3.96Å; A468-L581 HydrophobicContact CB-CD2 3.92Å; A468-L581 HydrophobicContact CB-CG 3.86Å
469	I	90.2	Very high	85.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.8	176.6	-61.1	176.8	0	0	0	106.9	L471 F487 Y551 L553 V570 L576 T578	I469-L471 HydrophobicContact CG2-CD2 4.04Å; I469-L471 HydrophobicContact CG2-CG 4.29Å; I469-F487 HydrophobicContact CD1-CD1 4.3Å; I469-F487 HydrophobicContact CD1-CE1 3.82Å; I469-F487 HydrophobicContact CD1-CZ 4.2Å; I469-Y551 PolarHBondContact N-O 3.36Å; I469-Y551 PolarHBondContact O-N 3.05Å; I469-L553 HydrophobicContact CD1-CB 3.58Å; I469-L553 HydrophobicContact CD1-CD2 3.87Å; I469-L553 HydrophobicContact CD1-CG 4.35Å; I469-L553 HydrophobicContact CG1-CB 4.4Å; I469-V570 HydrophobicContact CD1-CG2 3.76Å; I469-V570 HydrophobicContact CG1-CG2 4.5Å; I469-L576 HydrophobicContact CG2-CD1 3.69Å; I469-T578 HydrophobicContact CG1-CG2 4.16Å
470	T	90.9	Very high	85	Confident	36 Å²	36	43.9 Å²	43.9	22%	0.221	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.4	174.7	-64.3	0	0	0	0	108.5	T472 G549 D550 E577	T470-T472 HydrophobicContact CG2-CG2 3.96Å; T470-G549 WeakPolarHBondContact CA-O 3.43Å; T470-D550 WeakPolarHBondContact CB-OD1 3.46Å; T470-D550 VanDerWaalsContact CG2-OD1 3.24Å; T470-D550 WeakPolarHBondContact CG2-OD1 3.36Å; T470-D550 PolarHBondContact OG1-OD1 2.91Å; T470-E577 PolarHBondContact N-O 3.33Å; T470-E577 PolarHBondContact O-N 3.09Å
471	L	89.1	Confident	84.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.5	173.9	-57	176.2	0	0	0	107.7	I469 C483 C485 L546 P548 G549 Y551 T572 L576	I469-L471 HydrophobicContact CG2-CD2 4.04Å; I469-L471 HydrophobicContact CG2-CG 4.29Å; L471-C483 HydrophobicContact CD1-CB 4.08Å; L471-C485 WeakPolarHBondContact CD1-SG 3.16Å; L471-L546 HydrophobicContact CD1-CB 3.96Å; L471-L546 HydrophobicContact CD1-CD1 4.3Å; L471-P548 CarbonylContact O-C 3.55Å; L471-P548 VanDerWaalsContact O-CA 3.24Å; L471-P548 WeakPolarHBondContact O-CA 3.19Å; L471-P548 WeakPolarHBondContact O-CB 2.95Å; L471-G549 PolarHBondContact N-O 2.8Å; L471-G549 PolarHBondContact O-N 3.22Å; L471-Y551 HydrophobicContact CD1-CD2 4.04Å; L471-Y551 HydrophobicContact CD1-CE2 3.7Å; L471-Y551 HydrophobicContact CG-CD2 4.25Å; L471-Y551 HydrophobicContact CG-CE2 4.2Å; L471-T572 HydrophobicContact CD2-CG2 4.3Å; L471-L576 HydrophobicContact CD2-CD1 3.96Å
472	T	84.5	Confident	84.4	Confident	68 Å²	68	50.1 Å²	50.1	42%	0.417	28%	0.277	S	S	.	.			trans	-89.7	-32.4	-169.8	58.2	0	0	0	0	114.1	T470 L575	T470-T472 HydrophobicContact CG2-CG2 3.96Å; T472-L575 PolarHBondContact N-O 3.42Å; T472-L575 VanDerWaalsContact OG1-CB 3.23Å; T472-L575 WeakPolarHBondContact OG1-CB 3.27Å
473	D	81.2	Confident	84.3	Confident	65 Å²	65	49.7 Å²	49.7	35%	0.348	27%	0.273	S	S	.	.			trans	-148.8	146	-175.9	60.4	-35.4	0	0	0	111.5	C483 G574 L575	D473-C483 PolarHBondContact O-SG 3.19Å; D473-G574 VanDerWaalsContact O-CA 3.26Å; D473-G574 WeakPolarHBondContact O-CA 3.44Å; D473-L575 WeakPolarHBondContact OD1-CB 3.28Å; D473-L575 WeakPolarHBondContact OD1-CD1 3.34Å; D473-L575 WeakPolarHBondContact OD1-CG 3.27Å; D473-L575 PolarHBondContact OD1-N 2.87Å
474	A	76.6	Confident	84.1	Confident	19 Å²	19	46.7 Å²	46.7	16%	0.157	26%	0.259	C	S	.	.			trans	-77.2	159.5	172.6	0	0	0	0	0	110.7	D481 P548	A474-D481 WeakPolarHBondContact CB-O 3.28Å; A474-P548 HydrophobicContact CB-CG 4.41Å
475	D	72.6	Confident	84	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.048	26%	0.259	C	S	.	.			trans	-62	124.1	173.4	-176.5	-21.7	0	0	0	109.2	R308 N477 D478 N573	R308-D475 IonicContact NH2-OD2 3.2Å; D475-N477 PolarHBondContact O-N 2.93Å; D475-N477 WeakPolarHBondContact OD1-CB 3.28Å; D475-N477 PolarHBondContact OD1-N 3.32Å; D475-N477 PolarHBondContact OD1-ND2 2.95Å; D475-D478 HydrophobicContact CB-CB 4.32Å; D475-D478 PolarHBondContact O-N 3.06Å; D475-N573 HydrophobicContact CB-CB 4.05Å; D475-N573 WeakPolarHBondContact CB-ND2 3.37Å; D475-N573 WeakPolarHBondContact OD2-CB 3.47Å; D475-N573 PolarHBondContact OD2-ND2 3.05Å
476	P	68.7	Low	84	Confident	120 Å²	120	46.3 Å²	46.3	78%	0.779	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.8	-177.7	27	-36.1	0	0	0	113.3
477	N	69.5	Low	84	Confident	113 Å²	113	46.2 Å²	46.2	60%	0.604	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.2	176.4	-52.2	-63.6	0	0	0	113.2	D475	D475-N477 PolarHBondContact O-N 2.93Å; D475-N477 WeakPolarHBondContact OD1-CB 3.28Å; D475-N477 PolarHBondContact OD1-N 3.32Å; D475-N477 PolarHBondContact OD1-ND2 2.95Å
478	D	73.7	Confident	84.2	Confident	50 Å²	50	46 Å²	46	27%	0.267	26%	0.255	S	S	.	.			trans	-87.2	134.7	178	-80.6	-29.8	0	0	0	110.9	D475 D480 R545 N573	D475-D478 HydrophobicContact CB-CB 4.32Å; D475-D478 PolarHBondContact O-N 3.06Å; D478-D480 PolarHBondContact O-N 3.2Å; D478-R545 VanDerWaalsContact CG-NH2 3.3Å; D478-R545 IonicContact OD1-NH2 2.61Å; D478-R545 IonicContact OD2-CZ 3.55Å; D478-R545 IonicContact OD2-NH1 3.8Å; D478-R545 PolarHBondContact OD2-NH1 3.31Å; D478-R545 IonicContact OD2-NH2 2.83Å; D478-R545 PolarHBondContact OD2-NH2 3.47Å; D478-R545 VanDerWaalsContact OD2-NH2 3.13Å; D478-N573 PolarHBondContact OD2-ND2 3.46Å
479	E	75.2	Confident	84.4	Confident	200 Å²	200	45.2 Å²	45.2	94%	0.935	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.9	-175.6	-63.1	-172.1	163.4	0	0	114.9
480	D	82.2	Confident	84.7	Confident	75 Å²	75	45.1 Å²	45.1	40%	0.401	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	6	-169.3	68.9	5.8	0	0	0	114.4	D478 L482 R545	D478-D480 PolarHBondContact O-N 3.2Å; D480-L482 HydrophobicContact CB-CG 4.36Å; D480-L482 PolarHBondContact O-N 3.16Å; D480-L482 VanDerWaalsContact OD1-CB 3.29Å; D480-L482 WeakPolarHBondContact OD1-CB 3.39Å; D480-L482 PolarHBondContact OD1-N 2.95Å; D480-R545 IonicContact OD1-CZ 2.58Å; D480-R545 IonicContact OD1-NH2 3.85Å; D480-R545 PolarHBondContact OD1-NH2 3.42Å; D480-R545 IonicContact OD2-CZ 3.81Å; D480-R545 IonicContact OD2-NE 2.96Å; D480-R545 PolarHBondContact OD2-NE 3.36Å; D480-R545 IonicContact OD2-NH2 3.8Å; D480-R545 PolarHBondContact OD2-NH2 2.86Å
481	D	83.4	Confident	84.8	Confident	129 Å²	129	43.4 Å²	43.4	69%	0.69	24%	0.238	S	C	*	.	S	Bend	trans	55.8	25.1	-175.4	-60.9	-51.5	0	0	0	114.1	A474 P548	A474-D481 WeakPolarHBondContact CB-O 3.28Å; D481-P548 WeakPolarHBondContact O-CD 3.19Å
482	L	87.4	Confident	85	Confident	46 Å²	46	44 Å²	44	24%	0.241	24%	0.24	C	C	.	.			trans	-106.3	150.7	176.9	-54.8	-179.9	0	0	0	112.5	D480 R545 P547	D480-L482 HydrophobicContact CB-CG 4.36Å; D480-L482 PolarHBondContact O-N 3.16Å; D480-L482 VanDerWaalsContact OD1-CB 3.29Å; D480-L482 WeakPolarHBondContact OD1-CB 3.39Å; D480-L482 PolarHBondContact OD1-N 2.95Å; L482-R545 HydrophobicContact CB-CB 4.38Å; L482-R545 HydrophobicContact CD1-CB 3.82Å; L482-R545 PolarHBondContact O-NH1 3.32Å; L482-R545 PolarHBondContact O-NH2 2.72Å; L482-P547 HydrophobicContact CD2-CB 3.96Å
483	C	87.8	Confident	85.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.1	170.5	-54.7	0	0	0	0	110	L471 D473 R545 L546	L471-C483 HydrophobicContact CD1-CB 4.08Å; D473-C483 PolarHBondContact O-SG 3.19Å; C483-R545 WeakPolarHBondContact O-CA 3.4Å; C483-L546 WeakPolarHBondContact CB-O 3.38Å; C483-L546 PolarHBondContact N-O 2.94Å; C483-L546 PolarHBondContact O-N 2.85Å
484	T	89.8	Confident	85.7	Confident	15 Å²	15	41 Å²	41	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.4	160.8	-64.3	0	0	0	0	108.2	W436 R543 R545 T572 N573	W436-T484 HydrophobicContact CH2-CG2 3.98Å; W436-T484 HydrophobicContact CZ3-CG2 4.17Å; T484-R543 HydrophobicContact CG2-CG 4.5Å; T484-R545 PolarHBondContact OG1-NH1 3Å; T484-T572 WeakPolarHBondContact O-CA 3.47Å; T484-T572 VanDerWaalsContact O-CB 3.31Å; T484-T572 WeakPolarHBondContact O-CB 3.09Å; T484-T572 PolarHBondContact O-OG1 3.31Å; T484-N573 WeakPolarHBondContact CA-OD1 3.48Å; T484-N573 WeakPolarHBondContact CB-OD1 3.4Å; T484-N573 PolarHBondContact N-OD1 2.94Å; T484-N573 PolarHBondContact O-N 3.01Å; T484-N573 PolarHBondContact O-OD1 3.1Å
485	C	91.1	Very high	86.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	176.6	-63	0	0	0	0	110.2	L471 F487 R543 F544 L546 F571	L471-C485 WeakPolarHBondContact CD1-SG 3.16Å; C485-F487 HydrophobicContact CB-CE1 3.87Å; C485-F487 HydrophobicContact CB-CZ 3.91Å; C485-R543 CarbonylContact O-C 3.58Å; C485-R543 WeakPolarHBondContact O-CA 3.43Å; C485-F544 PolarHBondContact N-O 2.76Å; C485-F544 PolarHBondContact O-N 2.66Å; C485-L546 HydrophobicContact CB-CD1 4.23Å; C485-F571 CarbonylContact C-O 3.51Å; C485-F571 WeakPolarHBondContact CA-O 3.4Å
486	I	93.8	Very high	87	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.6	171.1	-47.4	158.6	0	0	0	107	L289 E291 W436 G542 R543 V570 F571	L289-I486 HydrophobicContact CD1-CG2 4.34Å; L289-I486 HydrophobicContact CD2-CG2 3.51Å; E291-I486 VanDerWaalsContact CD-CD1 3.48Å; E291-I486 HydrophobicContact CG-CD1 4.42Å; E291-I486 HydrophobicContact CG-CG2 3.74Å; E291-I486 WeakPolarHBondContact OE1-CD1 3.31Å; E291-I486 WeakPolarHBondContact OE2-CG1 3.17Å; W436-I486 HydrophobicContact CH2-CD1 3.6Å; W436-I486 HydrophobicContact CH2-CG1 4.38Å; W436-I486 HydrophobicContact CZ2-CD1 3.82Å; W436-I486 HydrophobicContact CZ3-CD1 4.09Å; I486-G542 WeakPolarHBondContact CA-O 3.47Å; I486-R543 HydrophobicContact CG1-CG 4.43Å; I486-V570 WeakPolarHBondContact O-CA 3.27Å; I486-F571 HydrophobicContact CB-CB 4.18Å; I486-F571 HydrophobicContact CD1-CB 4.23Å; I486-F571 PolarHBondContact N-O 2.8Å; I486-F571 PolarHBondContact O-N 3.24Å
487	F	94	Very high	87.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.9	175.7	-55.9	-37.4	0	0	0	109.1	I469 C485 F509 A529 C541 G542 F544 L546 L553 R569 V570	I469-F487 HydrophobicContact CD1-CD1 4.3Å; I469-F487 HydrophobicContact CD1-CE1 3.82Å; I469-F487 HydrophobicContact CD1-CZ 4.2Å; C485-F487 HydrophobicContact CB-CE1 3.87Å; C485-F487 HydrophobicContact CB-CZ 3.91Å; F487-F509 HydrophobicContact CB-CD2 4.43Å; F487-F509 HydrophobicContact CB-CE1 4.34Å; F487-F509 HydrophobicContact CB-CE2 3.87Å; F487-F509 HydrophobicContact CB-CZ 3.81Å; F487-F509 HydrophobicContact CD2-CE2 4.05Å; F487-F509 HydrophobicContact CG-CE2 4.48Å; F487-F509 WeakPolarHBondContact O-CE1 3.3Å; F487-A529 HydrophobicContact CE2-CB 4.19Å; F487-C541 CarbonylContact O-C 3.53Å; F487-C541 WeakPolarHBondContact O-CA 3.46Å; F487-G542 PolarHBondContact N-O 3.42Å; F487-G542 PolarHBondContact O-N 2.85Å; F487-F544 AromaticContact CD2-CD2 3.64Å; F487-F544 HydrophobicContact CD2-CD2 3.64Å; F487-F544 AromaticContact CD2-CE2 3.67Å; F487-F544 HydrophobicContact CD2-CE2 3.67Å; F487-F544 AromaticContact CE2-CD2 3.91Å; F487-F544 HydrophobicContact CE2-CD2 3.91Å; F487-F544 HydrophobicContact CE2-CE2 4.33Å; F487-F544 HydrophobicContact CG-CD2 4.43Å; F487-F544 HydrophobicContact CG-CE2 4.42Å; F487-L546 HydrophobicContact CE2-CD1 3.87Å; F487-L546 HydrophobicContact CZ-CD1 3.73Å; F487-L553 HydrophobicContact CB-CD1 4.47Å; F487-L553 HydrophobicContact CB-CD2 4.21Å; F487-L553 HydrophobicContact CD1-CD2 4.41Å; F487-L553 HydrophobicContact CD2-CD1 4.25Å; F487-L553 HydrophobicContact CG-CD1 4.42Å; F487-L553 HydrophobicContact CG-CD2 4.24Å; F487-R569 CarbonylContact C-O 3.57Å; F487-R569 WeakPolarHBondContact CA-O 3.39Å; F487-V570 HydrophobicContact CD1-CB 4.32Å; F487-V570 HydrophobicContact CD1-CG1 3.85Å; F487-V570 HydrophobicContact CD1-CG2 3.96Å; F487-V570 HydrophobicContact CE1-CG1 3.73Å; F487-V570 HydrophobicContact CE1-CG2 4.32Å
488	G	94.9	Very high	88.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.2	176.2	0	0	0	0	0	111.2	E539 I540 V568 R569	G488-E539 WeakPolarHBondContact CA-OE1 3.29Å; G488-I540 WeakPolarHBondContact CA-O 3.39Å; G488-V568 CarbonylContact O-C 3.5Å; G488-V568 WeakPolarHBondContact O-CA 3.09Å; G488-R569 PolarHBondContact N-O 3.48Å; G488-R569 PolarHBondContact O-N 3.01Å
489	V	96.1	Very high	89	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.4	168.3	-179.8	0	0	0	0	108.4	W445 I507 F509 E539 I540 P555 M567 V568	W445-V489 HydrophobicContact CH2-CG1 4.04Å; W445-V489 HydrophobicContact CZ2-CG1 4.2Å; V489-I507 HydrophobicContact CG1-CD1 4.41Å; V489-I507 WeakPolarHBondContact O-CD1 3.19Å; V489-F509 HydrophobicContact CG2-CB 3.87Å; V489-F509 HydrophobicContact CG2-CD1 3.77Å; V489-F509 HydrophobicContact CG2-CG 4.18Å; V489-E539 WeakPolarHBondContact O-CA 3.4Å; V489-I540 HydrophobicContact CB-CG2 4.18Å; V489-I540 PolarHBondContact N-O 3.11Å; V489-I540 PolarHBondContact O-N 3.13Å; V489-I540 VanDerWaalsContact O-N 3.1Å; V489-P555 HydrophobicContact CB-CB 4.5Å; V489-P555 HydrophobicContact CG1-CB 3.81Å; V489-P555 HydrophobicContact CG2-CB 3.78Å; V489-M567 WeakPolarHBondContact CA-O 3.34Å; V489-V568 HydrophobicContact CG2-CG2 4.4Å
490	L	95.5	Very high	89.4	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.6	179.4	179.9	148.1	0	0	0	110.1	W222 Y224 K492 R538 E539 F566 M567	W222-L490 HydrophobicContact CZ3-CD1 4.49Å; Y224-L490 HydrophobicContact CD1-CD2 3.53Å; Y224-L490 HydrophobicContact CE1-CD2 3.62Å; L490-K492 HydrophobicContact CD2-CG 3.94Å; L490-R538 CarbonylContact C-O 3.51Å; L490-R538 WeakPolarHBondContact CA-O 3.22Å; L490-R538 HydrophobicContact CD1-CG 4.43Å; L490-R538 HydrophobicContact CG-CG 4.26Å; L490-E539 HydrophobicContact CB-CB 4.11Å; L490-E539 HydrophobicContact CB-CG 4.15Å; L490-E539 WeakPolarHBondContact CB-OE2 3.4Å; L490-E539 VanDerWaalsContact CD1-OE2 3.26Å; L490-E539 WeakPolarHBondContact CD1-OE2 3.27Å; L490-E539 HydrophobicContact CG-CB 4.41Å; L490-F566 CarbonylContact O-C 3.55Å; L490-F566 WeakPolarHBondContact O-CA 3.36Å; L490-F566 VanDerWaalsContact O-CB 3.22Å; L490-F566 WeakPolarHBondContact O-CB 3.48Å; L490-M567 HydrophobicContact CB-CB 4.36Å; L490-M567 HydrophobicContact CD2-CB 4.39Å; L490-M567 PolarHBondContact N-O 3.01Å; L490-M567 PolarHBondContact O-N 3.18Å
491	Q	94.7	Very high	89.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.1	169.2	62.9	-175	-57.1	0	0	111.7	W445 R494 L505 I507 L537 R538	W445-Q491 HydrophobicContact CZ3-CB 4.47Å; Q491-R494 HydrophobicContact CB-CG 4.38Å; Q491-R494 HydrophobicContact CG-CG 3.83Å; Q491-R494 VanDerWaalsContact OE1-CG 3.29Å; Q491-L505 PolarHBondContact NE2-O 3.05Å; Q491-I507 HydrophobicContact CB-CD1 4.29Å; Q491-I507 HydrophobicContact CG-CD1 4.2Å; Q491-L537 PolarHBondContact NE2-O 2.96Å; Q491-R538 WeakPolarHBondContact CG-O 3.5Å; Q491-R538 PolarHBondContact N-O 2.85Å
492	K	93.1	Very high	89.7	Confident	15 Å²	15	25.6 Å²	25.6	7%	0.065	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-95.1	154	-172.7	-55.5	-176	-177.3	-174.1	0	112.8	Y224 D442 L490 R494 E565 F566	Y224-K492 HydrophobicContact CD1-CB 4.42Å; Y224-K492 HydrophobicContact CD1-CD 4.49Å; Y224-K492 HydrophobicContact CD1-CG 3.95Å; Y224-K492 HydrophobicContact CD2-CB 3.98Å; Y224-K492 HydrophobicContact CD2-CD 3.94Å; Y224-K492 HydrophobicContact CD2-CG 3.98Å; Y224-K492 HydrophobicContact CE1-CB 4.27Å; Y224-K492 HydrophobicContact CE1-CG 4.24Å; Y224-K492 HydrophobicContact CE2-CB 3.73Å; Y224-K492 HydrophobicContact CE2-CG 4.18Å; Y224-K492 HydrophobicContact CG-CB 4.31Å; Y224-K492 HydrophobicContact CG-CD 3.91Å; Y224-K492 HydrophobicContact CG-CG 3.84Å; D442-K492 VanDerWaalsContact CG-NZ 3.25Å; D442-K492 VanDerWaalsContact OD1-CE 3.27Å; D442-K492 WeakPolarHBondContact OD1-CE 3.2Å; D442-K492 IonicContact OD1-NZ 2.79Å; D442-K492 PolarHBondContact OD1-NZ 2.71Å; D442-K492 IonicContact OD2-NZ 3.36Å; L490-K492 HydrophobicContact CD2-CG 3.94Å; K492-R494 PolarHBondContact O-N 2.99Å; K492-E565 HydrophobicContact CB-CB 4.12Å; K492-E565 HydrophobicContact CD-CB 4.16Å; K492-E565 HydrophobicContact CG-CB 4.43Å; K492-E565 PolarHBondContact N-O 3.42Å; K492-F566 WeakPolarHBondContact CE-O 3.26Å
493	Y	89.5	Confident	89.7	Confident	49 Å²	49	28.3 Å²	28.3	19%	0.192	15%	0.149	C	C	.	.	S	Bend	trans	62.3	6.9	167.3	-48.4	-68.7	0	0	0	116.9	P92 P94 Y224 E496 L497	P92-Y493 HydrophobicContact CB-CD1 4.22Å; P92-Y493 HydrophobicContact CB-CE1 4.02Å; P92-Y493 HydrophobicContact CG-CD1 3.86Å; P92-Y493 HydrophobicContact CG-CE1 3.91Å; P94-Y493 HydrophobicContact CB-CG 4.3Å; Y224-Y493 HydrophobicContact CD2-CD1 4.24Å; Y224-Y493 AromaticContact CD2-CE1 3.63Å; Y224-Y493 HydrophobicContact CD2-CE1 3.63Å; Y224-Y493 HydrophobicContact CD2-CE2 4.28Å; Y224-Y493 AromaticContact CD2-CZ 3.64Å; Y224-Y493 AromaticContact CE2-CD1 3.51Å; Y224-Y493 HydrophobicContact CE2-CD1 3.51Å; Y224-Y493 HydrophobicContact CE2-CD2 4.37Å; Y224-Y493 AromaticContact CE2-CE1 3.37Å; Y224-Y493 HydrophobicContact CE2-CE1 3.37Å; Y224-Y493 HydrophobicContact CE2-CE2 4.26Å; Y224-Y493 HydrophobicContact CE2-CG 4Å; Y224-Y493 AromaticContact CE2-CZ 3.76Å; Y224-Y493 PolarHBondContact OH-N 2.87Å; Y493-E496 WeakPolarHBondContact CA-OE2 3.41Å; Y493-L497 WeakPolarHBondContact O-CB 3.14Å; Y493-L497 WeakPolarHBondContact O-CD1 3.34Å; Y493-L497 WeakPolarHBondContact O-CG 3.43Å; Y493-L497 PolarHBondContact O-N 3.48Å; Y493-L497 VanDerWaalsContact O-N 3.13Å
494	R	89.4	Confident	89.8	Confident	19 Å²	19	29.5 Å²	29.5	7%	0.072	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-43.8	-174.6	-64.9	-62	-169.4	-168.7	-13	112.8	Q491 K492 E496 L497 R498 D503 V504 E563	Q491-R494 HydrophobicContact CB-CG 4.38Å; Q491-R494 HydrophobicContact CG-CG 3.83Å; Q491-R494 VanDerWaalsContact OE1-CG 3.29Å; K492-R494 PolarHBondContact O-N 2.99Å; R494-E496 VanDerWaalsContact C-N 3.31Å; R494-E496 PolarHBondContact N-OE2 2.94Å; R494-E496 PolarHBondContact O-N 3.24Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 PolarHBondContact O-N 2.93Å; R494-R498 PolarHBondContact O-N 3.42Å; R494-D503 WeakPolarHBondContact CD-O 3.44Å; R494-V504 HydrophobicContact CB-CG1 3.88Å; R494-V504 HydrophobicContact CG-CG1 4.25Å; R494-E563 PolarHBondContact NH1-O 3.09Å; R494-E563 PolarHBondContact NH2-O 3.04Å
495	R	89.8	Confident	90	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.045	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-43.2	-179.1	177.6	170	-70.9	-77.9	-1.4	111.1	H267 A272 G275 E280 L497 R498	H267-R495 VanDerWaalsContact ND1-CD 3.34Å; H267-R495 WeakPolarHBondContact ND1-CD 3.27Å; A272-R495 PolarHBondContact O-NH1 3.42Å; G275-R495 VanDerWaalsContact O-CZ 3.3Å; G275-R495 PolarHBondContact O-NH1 2.79Å; G275-R495 PolarHBondContact O-NH2 2.82Å; E280-R495 IonicContact OE1-NH2 3.04Å; E280-R495 IonicContact OE2-CZ 3.42Å; E280-R495 VanDerWaalsContact OE2-CZ 3.27Å; E280-R495 IonicContact OE2-NE 2.74Å; E280-R495 PolarHBondContact OE2-NE 3.15Å; E280-R495 IonicContact OE2-NH2 2.98Å; E280-R495 PolarHBondContact OE2-NH2 2.88Å; R495-L497 VanDerWaalsContact C-N 3.26Å; R495-L497 PolarHBondContact O-N 2.59Å; R495-R498 VanDerWaalsContact O-CB 3.26Å; R495-R498 WeakPolarHBondContact O-CB 3.49Å; R495-R498 VanDerWaalsContact O-CG 3.29Å; R495-R498 WeakPolarHBondContact O-CG 3.29Å; R495-R498 PolarHBondContact O-N 2.79Å; R495-R498 VanDerWaalsContact O-N 3.16Å
496	E	87.1	Confident	90.2	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.9	178.7	-60.1	78.1	175.1	0	0	111.2	R223 H267 Y493 R494 R498 H499	R223-E496 IonicContact CZ-OE1 3.52Å; R223-E496 IonicContact NH1-OE1 3.08Å; R223-E496 PolarHBondContact NH1-OE1 2.79Å; R223-E496 IonicContact NH1-OE2 2.69Å; R223-E496 IonicContact NH2-OE1 3.77Å; R223-E496 PolarHBondContact NH2-OE1 2.82Å; H267-E496 IonicContact CE1-OE1 3Å; H267-E496 PolarHBondContact CE1-OE1 2.8Å; H267-E496 IonicContact ND1-OE1 3.61Å; H267-E496 PolarHBondContact ND1-OE1 2.75Å; Y493-E496 WeakPolarHBondContact CA-OE2 3.41Å; R494-E496 VanDerWaalsContact C-N 3.31Å; R494-E496 PolarHBondContact N-OE2 2.94Å; R494-E496 PolarHBondContact O-N 3.24Å; E496-R498 VanDerWaalsContact C-N 3.35Å; E496-H499 PolarHBondContact O-CE1 2.9Å; E496-H499 PolarHBondContact O-ND1 3.27Å
497	L	85.6	Confident	90.3	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.6	177.5	-70.3	171.1	0	0	0	114	P94 Y493 R494 R495 H499 K500 G501 V502	P94-L497 HydrophobicContact CB-CD1 3.94Å; P94-L497 HydrophobicContact CB-CD2 3.63Å; P94-L497 HydrophobicContact CB-CG 3.68Å; P94-L497 HydrophobicContact CG-CD2 3.56Å; P94-L497 HydrophobicContact CG-CG 3.85Å; P94-L497 WeakPolarHBondContact O-CD2 3.31Å; Y493-L497 WeakPolarHBondContact O-CB 3.14Å; Y493-L497 WeakPolarHBondContact O-CD1 3.34Å; Y493-L497 WeakPolarHBondContact O-CG 3.43Å; Y493-L497 PolarHBondContact O-N 3.48Å; Y493-L497 VanDerWaalsContact O-N 3.13Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 PolarHBondContact O-N 2.93Å; R495-L497 VanDerWaalsContact C-N 3.26Å; R495-L497 PolarHBondContact O-N 2.59Å; L497-H499 VanDerWaalsContact C-N 3.25Å; L497-H499 PolarHBondContact O-N 3.31Å; L497-K500 HydrophobicContact CD2-CD 3.75Å; L497-K500 HydrophobicContact CD2-CG 4.35Å; L497-K500 CarbonylContact O-C 3.56Å; L497-K500 WeakPolarHBondContact O-CA 3.5Å; L497-K500 WeakPolarHBondContact O-CB 3.36Å; L497-K500 PolarHBondContact O-N 3.21Å; L497-G501 PolarHBondContact O-N 2.96Å; L497-V502 HydrophobicContact CB-CB 3.59Å; L497-V502 HydrophobicContact CB-CG1 4.18Å; L497-V502 HydrophobicContact CB-CG2 3.91Å; L497-V502 HydrophobicContact CD1-CB 4.33Å; L497-V502 HydrophobicContact CD1-CG1 4.19Å; L497-V502 HydrophobicContact CD1-CG2 4.3Å; L497-V502 PolarHBondContact O-N 3.33Å
498	R	85.6	Confident	90.2	Very high	67 Å²	67	31.8 Å²	31.8	25%	0.253	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-56.6	-38.6	177.9	-77.6	179.3	174.4	-176.2	3.4	112.6	K274 G275 R494 R495 E496 K500 G501	K274-R498 PolarHBondContact O-NH1 2.97Å; G275-R498 PolarHBondContact O-NH1 3.45Å; R494-R498 PolarHBondContact O-N 3.42Å; R495-R498 VanDerWaalsContact O-CB 3.26Å; R495-R498 WeakPolarHBondContact O-CB 3.49Å; R495-R498 VanDerWaalsContact O-CG 3.29Å; R495-R498 WeakPolarHBondContact O-CG 3.29Å; R495-R498 PolarHBondContact O-N 2.79Å; R495-R498 VanDerWaalsContact O-N 3.16Å; E496-R498 VanDerWaalsContact C-N 3.35Å; R498-K500 PolarHBondContact O-N 2.83Å; R498-K500 VanDerWaalsContact O-N 3.16Å; R498-G501 PolarHBondContact O-N 3.19Å
499	H	82.9	Confident	90.1	Very high	101 Å²	101	31.8 Å²	31.8	47%	0.468	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-63.8	-18.8	175.8	73.2	-86.1	0	0	0	113.4	Y143 E496 L497	Y143-H499 HydrophobicContact CD1-CB 4.18Å; Y143-H499 HydrophobicContact CD2-CB 3.5Å; Y143-H499 VanDerWaalsContact CD2-CB 3.5Å; Y143-H499 HydrophobicContact CE2-CB 3.92Å; Y143-H499 HydrophobicContact CG-CB 3.66Å; E496-H499 PolarHBondContact O-CE1 2.9Å; E496-H499 PolarHBondContact O-ND1 3.27Å; L497-H499 VanDerWaalsContact C-N 3.25Å; L497-H499 PolarHBondContact O-N 3.31Å
500	K	84.3	Confident	89.5	Confident	104 Å²	104	32.3 Å²	32.3	45%	0.452	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-96.5	7.4	172.9	-53.2	-169.5	-171	168.6	0	112.9	P94 L497 R498 V502	P94-K500 PolarHBondContact O-NZ 3.19Å; L497-K500 HydrophobicContact CD2-CD 3.75Å; L497-K500 HydrophobicContact CD2-CG 4.35Å; L497-K500 CarbonylContact O-C 3.56Å; L497-K500 WeakPolarHBondContact O-CA 3.5Å; L497-K500 WeakPolarHBondContact O-CB 3.36Å; L497-K500 PolarHBondContact O-N 3.21Å; R498-K500 PolarHBondContact O-N 2.83Å; R498-K500 VanDerWaalsContact O-N 3.16Å; K500-V502 VanDerWaalsContact C-N 3.32Å; K500-V502 HydrophobicContact CB-CG2 4.49Å; K500-V502 PolarHBondContact O-N 2.56Å
501	G	84.6	Confident	88.5	Confident	70 Å²	70	32.4 Å²	32.4	72%	0.722	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	19.6	-179	0	0	0	0	0	114.5	L497 R498	L497-G501 PolarHBondContact O-N 2.96Å; R498-G501 PolarHBondContact O-N 3.19Å
502	V	86.1	Confident	86.8	Confident	22 Å²	22	32.5 Å²	32.5	13%	0.133	18%	0.175	C	C	.	.			trans	-91.2	122	172.9	-176.3	0	0	0	0	108.3	P96 L497 K500	P96-V502 HydrophobicContact CB-CG2 4.11Å; P96-V502 HydrophobicContact CG-CG2 4.29Å; L497-V502 HydrophobicContact CB-CB 3.59Å; L497-V502 HydrophobicContact CB-CG1 4.18Å; L497-V502 HydrophobicContact CB-CG2 3.91Å; L497-V502 HydrophobicContact CD1-CB 4.33Å; L497-V502 HydrophobicContact CD1-CG1 4.19Å; L497-V502 HydrophobicContact CD1-CG2 4.3Å; L497-V502 PolarHBondContact O-N 3.33Å; K500-V502 VanDerWaalsContact C-N 3.32Å; K500-V502 HydrophobicContact CB-CG2 4.49Å; K500-V502 PolarHBondContact O-N 2.56Å
503	D	87.2	Confident	85.4	Confident	102 Å²	102	36 Å²	36	55%	0.545	19%	0.193	S	C	.	.			trans	-107.5	170.4	178.7	-152.7	-2.8	0	0	0	111.5	R494	R494-D503 WeakPolarHBondContact CD-O 3.44Å
504	V	91.6	Very high	84	Confident	26 Å²	26	40.2 Å²	40.2	16%	0.158	22%	0.215	C	C	.	.			trans	-63.6	132.5	174.4	-74.5	0	0	0	0	111.1	R494 N536	R494-V504 HydrophobicContact CB-CG1 3.88Å; R494-V504 HydrophobicContact CG-CG1 4.25Å; V504-N536 HydrophobicContact CG2-CB 4.06Å; V504-N536 WeakPolarHBondContact CG2-O 3.42Å
505	L	92.6	Very high	82.6	Confident	22 Å²	22	41.1 Å²	41.1	12%	0.115	23%	0.23	C	C	.	.			trans	-79.3	151	175.2	-64.1	-178	0	0	0	111	Q491 I507 T557 E562	Q491-L505 PolarHBondContact NE2-O 3.05Å; L505-I507 HydrophobicContact CB-CG2 4.09Å; L505-I507 PolarHBondContact O-N 3.15Å; L505-I507 VanDerWaalsContact O-N 3.13Å; L505-T557 HydrophobicContact CB-CG2 4.45Å; L505-T557 HydrophobicContact CD1-CG2 3.56Å; L505-E562 HydrophobicContact CD1-CB 3.78Å; L505-E562 HydrophobicContact CD2-CB 4.16Å; L505-E562 HydrophobicContact CD2-CG 4.4Å
506	P	95.6	Very high	81.2	Confident	41 Å²	41	44.5 Å²	44.5	27%	0.266	25%	0.254	S	S	.	.			trans	-67.9	107.1	164.5	-14.7	29.9	0	0	0	109.8	F534 I535 T557 Y558	P506-F534 HydrophobicContact CB-CB 4.3Å; P506-I535 WeakPolarHBondContact CA-O 3.24Å; P506-T557 CarbonylContact O-C 3.38Å; P506-T557 WeakPolarHBondContact O-CA 3.48Å; P506-Y558 PolarHBondContact O-N 3.2Å
507	I	95.3	Very high	80.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.4	-176.7	58.6	172	0	0	0	111.5	W445 V489 Q491 L505 F534 I535 I540 T557	W445-I507 HydrophobicContact CH2-CB 4.26Å; W445-I507 HydrophobicContact CH2-CG2 3.54Å; W445-I507 HydrophobicContact CZ2-CG2 4.44Å; W445-I507 HydrophobicContact CZ3-CG2 3.83Å; V489-I507 HydrophobicContact CG1-CD1 4.41Å; V489-I507 WeakPolarHBondContact O-CD1 3.19Å; Q491-I507 HydrophobicContact CB-CD1 4.29Å; Q491-I507 HydrophobicContact CG-CD1 4.2Å; L505-I507 HydrophobicContact CB-CG2 4.09Å; L505-I507 PolarHBondContact O-N 3.15Å; L505-I507 VanDerWaalsContact O-N 3.13Å; I507-F534 WeakPolarHBondContact O-CA 3.36Å; I507-I535 PolarHBondContact N-O 2.95Å; I507-I535 PolarHBondContact O-N 3.47Å; I507-I535 VanDerWaalsContact O-N 3.14Å; I507-I540 HydrophobicContact CD1-CG2 4.16Å; I507-I540 HydrophobicContact CG1-CG2 3.93Å; I507-T557 HydrophobicContact CG2-CG2 4.49Å
508	G	93.8	Very high	79.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	177.6	179.5	0	0	0	0	0	110.8	S531 S556	G508-S531 VanDerWaalsContact CA-OG 3.26Å; G508-S531 WeakPolarHBondContact CA-OG 3.49Å; G508-S556 PolarHBondContact N-O 3.37Å; G508-S556 PolarHBondContact O-N 2.79Å; G508-S556 VanDerWaalsContact O-O 3.09Å
509	F	91.3	Very high	79.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.8	173.9	60.6	-95.5	0	0	0	111.2	F487 V489 R530 S531 I540 F544 L553 I554	F487-F509 HydrophobicContact CB-CD2 4.43Å; F487-F509 HydrophobicContact CB-CE1 4.34Å; F487-F509 HydrophobicContact CB-CE2 3.87Å; F487-F509 HydrophobicContact CB-CZ 3.81Å; F487-F509 HydrophobicContact CD2-CE2 4.05Å; F487-F509 HydrophobicContact CG-CE2 4.48Å; F487-F509 WeakPolarHBondContact O-CE1 3.3Å; V489-F509 HydrophobicContact CG2-CB 3.87Å; V489-F509 HydrophobicContact CG2-CD1 3.77Å; V489-F509 HydrophobicContact CG2-CG 4.18Å; F509-R530 WeakPolarHBondContact O-CA 3.39Å; F509-S531 PolarHBondContact N-OG 3.46Å; F509-S531 PolarHBondContact O-N 2.89Å; F509-I540 HydrophobicContact CD1-CG2 4.32Å; F509-F544 AromaticContact CE2-CE2 3.64Å; F509-F544 HydrophobicContact CE2-CE2 3.64Å; F509-F544 AromaticContact CE2-CZ 3.79Å; F509-F544 HydrophobicContact CE2-CZ 3.79Å; F509-F544 AromaticContact CZ-CE2 3.84Å; F509-F544 HydrophobicContact CZ-CE2 3.84Å; F509-F544 HydrophobicContact CZ-CZ 4.04Å; F509-L553 HydrophobicContact CB-CD1 3.8Å; F509-L553 HydrophobicContact CD2-CD1 3.54Å; F509-L553 HydrophobicContact CE2-CD1 4.39Å; F509-L553 HydrophobicContact CG-CD1 3.89Å; F509-I554 WeakPolarHBondContact CA-O 3.19Å
510	V	84.9	Confident	78.5	Confident	10 Å²	10	47 Å²	47	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.5	174.2	-173.9	0	0	0	0	107.8	K455 F461 S527 R530 I554	K455-V510 HydrophobicContact CD-CG1 4.13Å; K455-V510 VanDerWaalsContact CE-CG1 3.41Å; K455-V510 VanDerWaalsContact NZ-CG1 3.34Å; F461-V510 HydrophobicContact CZ-CB 4.29Å; F461-V510 HydrophobicContact CZ-CG2 4.4Å; V510-S527 VanDerWaalsContact CG1-CB 3.45Å; V510-S527 WeakPolarHBondContact CG1-OG 3.43Å; V510-R530 HydrophobicContact CG1-CB 4.34Å; V510-R530 HydrophobicContact CG2-CB 4.31Å; V510-I554 PolarHBondContact N-O 2.93Å; V510-I554 VanDerWaalsContact N-O 3.15Å; V510-I554 WeakPolarHBondContact O-CB 3.43Å; V510-I554 PolarHBondContact O-N 3.43Å
511	D	73	Confident	78.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	156.7	167.3	80.6	-9.2	0	0	0	111.8	S527 C528 A529 V552	D511-S527 VanDerWaalsContact O-CB 3.27Å; D511-S527 WeakPolarHBondContact O-CB 3.46Å; D511-S527 PolarHBondContact O-OG 3.14Å; D511-S527 WeakPolarHBondContact OD1-CA 3.35Å; D511-S527 WeakPolarHBondContact OD1-CB 3.19Å; D511-S527 PolarHBondContact OD1-OG 3.14Å; D511-C528 VanDerWaalsContact CG-SG 3.55Å; D511-C528 PolarHBondContact OD1-N 3.1Å; D511-C528 PolarHBondContact OD2-SG 3.2Å; D511-A529 HydrophobicContact CB-CB 4.2Å; D511-A529 WeakPolarHBondContact CB-O 3.07Å; D511-A529 PolarHBondContact N-O 2.89Å; D511-A529 PolarHBondContact OD1-N 3.02Å; D511-A529 WeakPolarHBondContact OD2-CA 3.16Å; D511-A529 WeakPolarHBondContact OD2-CB 3.5Å; D511-A529 PolarHBondContact OD2-N 2.82Å; D511-V552 CarbonylContact C-O 3.56Å; D511-V552 WeakPolarHBondContact CA-O 3.12Å
512	G	60.6	Low	77.8	Confident	2 Å²	2	43.3 Å²	43.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.3	166.5	0	0	0	0	0	110.2	Y551 V552	G512-Y551 CarbonylContact O-C 3.57Å; G512-V552 PolarHBondContact N-O 2.69Å; G512-V552 PolarHBondContact O-N 3.24Å
513	I	62.9	Low	77	Confident	89 Å²	89	45.5 Å²	45.5	46%	0.456	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.3	171.1	-62.1	171	0	0	0	108.7
514	Q	60	Low	76.2	Confident	138 Å²	138	47.2 Å²	47.2	65%	0.645	28%	0.278	S	S	*	.	S	Bend	trans	65.3	114.7	166.7	-78.9	179.2	-5.6	0	0	120.2	L517	Q514-L517 WeakPolarHBondContact O-CD2 3.45Å
515	G	59.8	Low	75.3	Confident	38 Å²	38	47.7 Å²	47.7	39%	0.392	28%	0.283	S	S	.	.	S	Bend	trans	68.4	171.9	156.7	0	0	0	0	0	115.5	L517 V552	G515-L517 VanDerWaalsContact O-CG 3.3Å; G515-L517 WeakPolarHBondContact O-CG 3.11Å; G515-L517 PolarHBondContact O-N 2.95Å; G515-V552 WeakPolarHBondContact O-CG2 3.32Å
516	P	61	Low	74.5	Confident	83 Å²	83	55.7 Å²	55.7	54%	0.539	32%	0.317	S	S	.	.	S	Bend	trans	-61	113.3	174.1	22.7	-30.5	0	0	0	109.4	S518	P516-S518 PolarHBondContact O-N 3.16Å
517	L	70.8	Confident	73.6	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	32%	0.316	C	S	.	.			trans	-87.2	117.8	-169.7	-63.8	170.6	0	0	0	109.3	Q466 Q514 G515 Q521 L522 V552	Q466-L517 PolarHBondContact NE2-O 3.08Å; Q514-L517 WeakPolarHBondContact O-CD2 3.45Å; G515-L517 VanDerWaalsContact O-CG 3.3Å; G515-L517 WeakPolarHBondContact O-CG 3.11Å; G515-L517 PolarHBondContact O-N 2.95Å; L517-Q521 HydrophobicContact CB-CB 4.27Å; L517-Q521 HydrophobicContact CD2-CB 3.86Å; L517-L522 HydrophobicContact CB-CD1 4.19Å; L517-L522 HydrophobicContact CB-CD2 3.42Å; L517-L522 VanDerWaalsContact CB-CD2 3.42Å; L517-L522 HydrophobicContact CB-CG 3.5Å; L517-L522 VanDerWaalsContact CB-CG 3.5Å; L517-L522 HydrophobicContact CD1-CD2 3.34Å; L517-L522 HydrophobicContact CD1-CG 4.36Å; L517-L522 HydrophobicContact CG-CD2 3.94Å; L517-V552 HydrophobicContact CD1-CB 4.35Å
518	S	72.7	Confident	72.9	Confident	56 Å²	56	58.4 Å²	58.4	39%	0.392	34%	0.336	S	S	.	.			trans	-66.4	163.1	169.3	67	0	0	0	0	111.6	P516 N520 Q521 L522	P516-S518 PolarHBondContact O-N 3.16Å; S518-N520 PolarHBondContact O-N 2.55Å; S518-N520 VanDerWaalsContact O-N 3.1Å; S518-Q521 VanDerWaalsContact CB-OE1 3.29Å; S518-Q521 PolarHBondContact O-N 3.25Å; S518-Q521 WeakPolarHBondContact OG-CG 3.4Å; S518-Q521 PolarHBondContact OG-N 3.45Å; S518-Q521 PolarHBondContact OG-OE1 2.61Å; S518-L522 PolarHBondContact O-N 3.12Å
519	C	70.8	Confident	72.4	Confident	49 Å²	49	58.5 Å²	58.5	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-50.2	-40.6	176.7	-57.5	0	0	0	0	112.8	A462 A523	A462-C519 HydrophobicContact CB-CB 4.25Å; A462-C519 WeakPolarHBondContact CB-SG 3.37Å; C519-A523 WeakPolarHBondContact O-CB 3.3Å; C519-A523 PolarHBondContact O-N 3.43Å; C519-A523 VanDerWaalsContact O-N 3.07Å
520	N	70.7	Confident	72.3	Confident	125 Å²	125	66.5 Å²	66.5	67%	0.668	37%	0.367	S	S	*	.	H	α-helix	trans	-70.9	-33.6	-179.7	-70.8	-18.2	0	0	0	112.5	S518 N524	S518-N520 PolarHBondContact O-N 2.55Å; S518-N520 VanDerWaalsContact O-N 3.1Å; N520-N524 PolarHBondContact O-ND2 3.35Å
521	Q	75.8	Confident	72.5	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-70.5	-48.1	175.2	-70.4	162.7	-76.2	0	0	110	L517 S518 A523 N524 S525	L517-Q521 HydrophobicContact CB-CB 4.27Å; L517-Q521 HydrophobicContact CD2-CB 3.86Å; S518-Q521 VanDerWaalsContact CB-OE1 3.29Å; S518-Q521 PolarHBondContact O-N 3.25Å; S518-Q521 WeakPolarHBondContact OG-CG 3.4Å; S518-Q521 PolarHBondContact OG-N 3.45Å; S518-Q521 PolarHBondContact OG-OE1 2.61Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.79Å; Q521-N524 PolarHBondContact O-N 2.89Å; Q521-N524 VanDerWaalsContact O-N 3.09Å; Q521-S525 WeakPolarHBondContact O-CB 3.21Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.34Å; Q521-S525 VanDerWaalsContact O-OG 3.05Å
522	L	77.2	Confident	72.9	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.037	40%	0.398	C	S	.	.	H	α-helix	trans	-61.6	-36.3	-179.8	-70.3	174.9	0	0	0	114	F461 A462 L517 S518 N524 I554	F461-L522 HydrophobicContact CD1-CB 3.94Å; F461-L522 HydrophobicContact CD1-CD1 3.58Å; F461-L522 HydrophobicContact CD1-CD2 4.45Å; F461-L522 HydrophobicContact CD1-CG 4.19Å; F461-L522 HydrophobicContact CE1-CB 4.28Å; F461-L522 HydrophobicContact CE1-CD1 3.88Å; F461-L522 HydrophobicContact CE1-CD2 4.05Å; F461-L522 HydrophobicContact CE1-CG 4.29Å; A462-L522 VanDerWaalsContact CA-CD1 3.47Å; A462-L522 HydrophobicContact CB-CD1 3.63Å; L517-L522 HydrophobicContact CB-CD1 4.19Å; L517-L522 HydrophobicContact CB-CD2 3.42Å; L517-L522 VanDerWaalsContact CB-CD2 3.42Å; L517-L522 HydrophobicContact CB-CG 3.5Å; L517-L522 VanDerWaalsContact CB-CG 3.5Å; L517-L522 HydrophobicContact CD1-CD2 3.34Å; L517-L522 HydrophobicContact CD1-CG 4.36Å; L517-L522 HydrophobicContact CG-CD2 3.94Å; S518-L522 PolarHBondContact O-N 3.12Å; L522-N524 VanDerWaalsContact C-N 3.25Å; L522-N524 PolarHBondContact O-N 3.22Å; L522-I554 HydrophobicContact CD1-CD1 4.06Å; L522-I554 HydrophobicContact CD2-CD1 3.45Å; L522-I554 VanDerWaalsContact CD2-CD1 3.45Å; L522-I554 HydrophobicContact CG-CD1 4.43Å
523	A	70.4	Confident	74.3	Confident	68 Å²	68	74.9 Å²	74.9	56%	0.562	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-28.7	177.9	0	0	0	0	0	112.8	C519 Q521	C519-A523 WeakPolarHBondContact O-CB 3.3Å; C519-A523 PolarHBondContact O-N 3.43Å; C519-A523 VanDerWaalsContact O-N 3.07Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.79Å
524	N	70.2	Confident	75.6	Confident	138 Å²	138	73.2 Å²	73.2	74%	0.738	41%	0.41	S	S	*	.	H	α-helix	trans	-101.5	-18.9	-176.9	-67.1	-50.8	0	0	0	113.2	N520 Q521 L522 K526	N520-N524 PolarHBondContact O-ND2 3.35Å; Q521-N524 PolarHBondContact O-N 2.89Å; Q521-N524 VanDerWaalsContact O-N 3.09Å; L522-N524 VanDerWaalsContact C-N 3.25Å; L522-N524 PolarHBondContact O-N 3.22Å; N524-K526 PolarHBondContact O-N 2.87Å
525	S	72.1	Confident	77.2	Confident	36 Å²	36	69.1 Å²	69.1	25%	0.252	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-74.4	118.8	179.4	-70	0	0	0	0	111.6	K455 Q521 S527	K455-S525 PolarHBondContact NZ-O 2.89Å; Q521-S525 WeakPolarHBondContact O-CB 3.21Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.34Å; Q521-S525 VanDerWaalsContact O-OG 3.05Å; S525-S527 PolarHBondContact O-N 2.73Å
526	K	75.2	Confident	78.7	Confident	191 Å²	191	72.1 Å²	72.1	83%	0.83	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-66.4	128.6	160.6	-71.7	-174.1	179.4	-178.5	0	108	N524	N524-K526 PolarHBondContact O-N 2.87Å
527	S	77.6	Confident	80.2	Confident	36 Å²	36	70.9 Å²	70.9	25%	0.252	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76.4	142	171.6	162.4	0	0	0	0	109.4	V510 D511 S525 A529	V510-S527 VanDerWaalsContact CG1-CB 3.45Å; V510-S527 WeakPolarHBondContact CG1-OG 3.43Å; D511-S527 VanDerWaalsContact O-CB 3.27Å; D511-S527 WeakPolarHBondContact O-CB 3.46Å; D511-S527 PolarHBondContact O-OG 3.14Å; D511-S527 WeakPolarHBondContact OD1-CA 3.35Å; D511-S527 WeakPolarHBondContact OD1-CB 3.19Å; D511-S527 PolarHBondContact OD1-OG 3.14Å; S525-S527 PolarHBondContact O-N 2.73Å; S527-A529 VanDerWaalsContact OG-C 3.3Å; S527-A529 PolarHBondContact OG-N 3.43Å; S527-A529 PolarHBondContact OG-O 2.77Å
528	C	81	Confident	81.3	Confident	62 Å²	62	71.2 Å²	71.2	42%	0.419	39%	0.388	S	S	.	.	S	Bend	trans	-94.6	-23.2	173.5	32.1	0	0	0	0	112.7	D511	D511-C528 VanDerWaalsContact CG-SG 3.55Å; D511-C528 PolarHBondContact OD1-N 3.1Å; D511-C528 PolarHBondContact OD2-SG 3.2Å
529	A	83.3	Confident	82.3	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.017	37%	0.373	C	S	.	.	S	Bend	trans	-143.5	128.7	176.9	0	0	0	0	0	110.9	F487 D511 S527 F544 L546	F487-A529 HydrophobicContact CE2-CB 4.19Å; D511-A529 HydrophobicContact CB-CB 4.2Å; D511-A529 WeakPolarHBondContact CB-O 3.07Å; D511-A529 PolarHBondContact N-O 2.89Å; D511-A529 PolarHBondContact OD1-N 3.02Å; D511-A529 WeakPolarHBondContact OD2-CA 3.16Å; D511-A529 WeakPolarHBondContact OD2-CB 3.5Å; D511-A529 PolarHBondContact OD2-N 2.82Å; S527-A529 VanDerWaalsContact OG-C 3.3Å; S527-A529 PolarHBondContact OG-N 3.43Å; S527-A529 PolarHBondContact OG-O 2.77Å; A529-F544 HydrophobicContact CB-CB 4.26Å; A529-F544 HydrophobicContact CB-CD1 3.36Å; A529-F544 HydrophobicContact CB-CD2 3.69Å; A529-F544 HydrophobicContact CB-CE1 3.51Å; A529-F544 HydrophobicContact CB-CE2 3.82Å; A529-F544 HydrophobicContact CB-CG 3.46Å; A529-F544 VanDerWaalsContact CB-CG 3.46Å; A529-F544 HydrophobicContact CB-CZ 3.74Å; A529-L546 HydrophobicContact CB-CD2 4.44Å
530	R	88.8	Confident	83.4	Confident	168 Å²	168	67.9 Å²	67.9	63%	0.634	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-148.2	155	175.7	61.6	-179.6	-173.4	-179.4	3	109.6	F509 V510 F544	F509-R530 WeakPolarHBondContact O-CA 3.39Å; V510-R530 HydrophobicContact CG1-CB 4.34Å; V510-R530 HydrophobicContact CG2-CB 4.31Å; R530-F544 WeakPolarHBondContact O-CZ 3.02Å
531	S	89	Confident	84.5	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.042	34%	0.338	C	S	.	.			trans	-59.1	141.3	165.3	66.5	0	0	0	0	109.3	G508 F509 V533	G508-S531 VanDerWaalsContact CA-OG 3.26Å; G508-S531 WeakPolarHBondContact CA-OG 3.49Å; F509-S531 PolarHBondContact N-OG 3.46Å; F509-S531 PolarHBondContact O-N 2.89Å; S531-V533 WeakPolarHBondContact CB-O 3.36Å; S531-V533 PolarHBondContact O-N 2.85Å; S531-V533 PolarHBondContact OG-O 2.71Å
532	P	81.4	Confident	85.2	Confident	104 Å²	104	59.3 Å²	59.3	68%	0.675	32%	0.323	S	S	*	.	S	Bend	trans	-64	-32.8	-177.5	23.6	-32.5	0	0	0	111.7
533	V	88.9	Confident	85.9	Confident	80 Å²	80	62.2 Å²	62.2	49%	0.485	33%	0.333	S	S	.	.	S	Bend	trans	-142.6	168	179.8	-66.7	0	0	0	0	110.5	S531 I535	S531-V533 WeakPolarHBondContact CB-O 3.36Å; S531-V533 PolarHBondContact O-N 2.85Å; S531-V533 PolarHBondContact OG-O 2.71Å; V533-I535 HydrophobicContact CG2-CB 4.11Å
534	F	91.9	Very high	86.9	Confident	55 Å²	55	60.6 Å²	60.6	24%	0.241	31%	0.313	C	S	.	.			trans	-92.7	122.4	158	-78.2	-101.1	0	0	0	107.5	C454 P506 I507 S556 T557 Y558	C454-F534 HydrophobicContact CB-CD2 4.36Å; C454-F534 HydrophobicContact CB-CE1 3.96Å; C454-F534 HydrophobicContact CB-CE2 3.58Å; C454-F534 HydrophobicContact CB-CZ 3.35Å; P506-F534 HydrophobicContact CB-CB 4.3Å; I507-F534 WeakPolarHBondContact O-CA 3.36Å; F534-S556 WeakPolarHBondContact CE1-O 3.39Å; F534-S556 VanDerWaalsContact CE1-OG 3.29Å; F534-S556 WeakPolarHBondContact CE1-OG 3.43Å; F534-S556 WeakPolarHBondContact CZ-OG 3.5Å; F534-T557 WeakPolarHBondContact CE1-O 3.35Å; F534-Y558 HydrophobicContact CB-CD2 3.92Å; F534-Y558 HydrophobicContact CB-CG 4.29Å; F534-Y558 HydrophobicContact CD1-CD2 4.38Å; F534-Y558 AromaticContact CD2-CD2 4Å; F534-Y558 HydrophobicContact CD2-CD2 4Å; F534-Y558 AromaticContact CG-CD2 3.83Å; F534-Y558 HydrophobicContact CG-CD2 3.83Å; F534-Y558 HydrophobicContact CG-CG 4.39Å
535	I	92.3	Very high	87.7	Confident	52 Å²	52	57.7 Å²	57.7	27%	0.267	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-130	146.6	-173.3	-162.2	169.2	0	0	0	111.3	P506 I507 V533 L537 I540	P506-I535 WeakPolarHBondContact CA-O 3.24Å; I507-I535 PolarHBondContact N-O 2.95Å; I507-I535 PolarHBondContact O-N 3.47Å; I507-I535 VanDerWaalsContact O-N 3.14Å; V533-I535 HydrophobicContact CG2-CB 4.11Å; I535-L537 HydrophobicContact CD1-CD1 3.82Å; I535-L537 HydrophobicContact CD1-CG 4.04Å; I535-L537 HydrophobicContact CG1-CD1 4.3Å; I535-L537 HydrophobicContact CG1-CG 4.04Å; I535-L537 HydrophobicContact CG2-CB 4.15Å; I535-L537 HydrophobicContact CG2-CD1 3.99Å; I535-L537 HydrophobicContact CG2-CG 4.01Å; I535-L537 PolarHBondContact O-N 3.1Å; I535-L537 VanDerWaalsContact O-N 3.11Å; I535-I540 HydrophobicContact CG2-CB 4.23Å; I535-I540 HydrophobicContact CG2-CD1 3.9Å; I535-I540 HydrophobicContact CG2-CG1 4.3Å
536	N	91.2	Very high	88.5	Confident	100 Å²	100	56.2 Å²	56.2	54%	0.535	28%	0.282	S	S	.	.	S	Bend	trans	-83.7	63.7	177.3	60.8	-39.2	0	0	0	110.9	V504	V504-N536 HydrophobicContact CG2-CB 4.06Å; V504-N536 WeakPolarHBondContact CG2-O 3.42Å
537	L	92.1	Very high	89.1	Confident	57 Å²	57	50.3 Å²	50.3	30%	0.298	26%	0.263	S	S	.	.	S	Bend	trans	-118.9	162.6	172.5	-67.7	178	0	0	0	110.3	T277 Q491 I535 E539	T277-L537 HydrophobicContact CG2-CD2 4.23Å; Q491-L537 PolarHBondContact NE2-O 2.96Å; I535-L537 HydrophobicContact CD1-CD1 3.82Å; I535-L537 HydrophobicContact CD1-CG 4.04Å; I535-L537 HydrophobicContact CG1-CD1 4.3Å; I535-L537 HydrophobicContact CG1-CG 4.04Å; I535-L537 HydrophobicContact CG2-CB 4.15Å; I535-L537 HydrophobicContact CG2-CD1 3.99Å; I535-L537 HydrophobicContact CG2-CG 4.01Å; I535-L537 PolarHBondContact O-N 3.1Å; I535-L537 VanDerWaalsContact O-N 3.11Å; L537-E539 VanDerWaalsContact C-N 3.25Å; L537-E539 PolarHBondContact O-N 3.5Å
538	R	93.7	Very high	89.7	Confident	14 Å²	14	51.3 Å²	51.3	5%	0.053	27%	0.268	C	S	.	.	S	Bend	trans	-58.6	-41.2	171.9	-174.4	175.5	91.8	162.5	17.1	111.6	E280 E283 D284 L490 Q491	E280-R538 HydrophobicContact CG-CB 3.76Å; E280-R538 HydrophobicContact CG-CG 4.36Å; E280-R538 PolarHBondContact O-NH1 3.14Å; E280-R538 PolarHBondContact O-NH2 2.94Å; E283-R538 IonicContact OE2-CZ 2.57Å; E283-R538 IonicContact OE2-NE 3.52Å; E283-R538 PolarHBondContact OE2-NE 3.11Å; E283-R538 IonicContact OE2-NH2 3.36Å; E283-R538 PolarHBondContact OE2-NH2 3.49Å; D284-R538 IonicContact OD1-CZ 3.25Å; D284-R538 VanDerWaalsContact OD1-CZ 3.25Å; D284-R538 IonicContact OD1-NH1 3.67Å; D284-R538 PolarHBondContact OD1-NH1 3.3Å; D284-R538 IonicContact OD1-NH2 3.33Å; D284-R538 PolarHBondContact OD1-NH2 3.46Å; D284-R538 IonicContact OD2-NH1 3.11Å; D284-R538 PolarHBondContact OD2-NH1 2.77Å; L490-R538 CarbonylContact C-O 3.51Å; L490-R538 WeakPolarHBondContact CA-O 3.22Å; L490-R538 HydrophobicContact CD1-CG 4.43Å; L490-R538 HydrophobicContact CG-CG 4.26Å; Q491-R538 WeakPolarHBondContact CG-O 3.5Å; Q491-R538 PolarHBondContact N-O 2.85Å
539	E	94.9	Very high	90	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.2	177.7	-178.6	155.5	-171.9	0	0	111.9	G488 V489 L490 L537 R569	G488-E539 WeakPolarHBondContact CA-OE1 3.29Å; V489-E539 WeakPolarHBondContact O-CA 3.4Å; L490-E539 HydrophobicContact CB-CB 4.11Å; L490-E539 HydrophobicContact CB-CG 4.15Å; L490-E539 WeakPolarHBondContact CB-OE2 3.4Å; L490-E539 VanDerWaalsContact CD1-OE2 3.26Å; L490-E539 WeakPolarHBondContact CD1-OE2 3.27Å; L490-E539 HydrophobicContact CG-CB 4.41Å; L537-E539 VanDerWaalsContact C-N 3.25Å; L537-E539 PolarHBondContact O-N 3.5Å; E539-R569 IonicContact OE1-CZ 2.94Å; E539-R569 VanDerWaalsContact OE1-CZ 3.28Å; E539-R569 IonicContact OE1-NE 2.81Å; E539-R569 PolarHBondContact OE1-NE 2.65Å; E539-R569 IonicContact OE1-NH2 3.45Å; E539-R569 PolarHBondContact OE1-NH2 3.19Å; E539-R569 IonicContact OE2-CZ 3.51Å; E539-R569 IonicContact OE2-NE 3.57Å; E539-R569 PolarHBondContact OE2-NE 3.18Å; E539-R569 IonicContact OE2-NH2 2.82Å; E539-R569 PolarHBondContact OE2-NH2 2.91Å
540	I	94.1	Very high	90.2	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.087	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129	169	-178.4	58.5	0	0	0	108.7	G488 V489 I507 F509 I535	G488-I540 WeakPolarHBondContact CA-O 3.39Å; V489-I540 HydrophobicContact CB-CG2 4.18Å; V489-I540 PolarHBondContact N-O 3.11Å; V489-I540 PolarHBondContact O-N 3.13Å; V489-I540 VanDerWaalsContact O-N 3.1Å; I507-I540 HydrophobicContact CD1-CG2 4.16Å; I507-I540 HydrophobicContact CG1-CG2 3.93Å; F509-I540 HydrophobicContact CD1-CG2 4.32Å; I535-I540 HydrophobicContact CG2-CB 4.23Å; I535-I540 HydrophobicContact CG2-CD1 3.9Å; I535-I540 HydrophobicContact CG2-CG1 4.3Å
541	C	93.1	Very high	90.2	Very high	25 Å²	25	46.6 Å²	46.6	17%	0.169	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.1	178	57.9	0	0	0	0	111.5	L289 T290 E291 F487	L289-C541 HydrophobicContact CD2-CB 4.1Å; T290-C541 PolarHBondContact O-SG 3.35Å; E291-C541 VanDerWaalsContact CA-SG 3.58Å; F487-C541 CarbonylContact O-C 3.53Å; F487-C541 WeakPolarHBondContact O-CA 3.46Å
542	G	91.5	Very high	90.3	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	134.6	171.7	0	0	0	0	0	111.2	I486 F487 F544	I486-G542 WeakPolarHBondContact CA-O 3.47Å; F487-G542 PolarHBondContact N-O 3.42Å; F487-G542 PolarHBondContact O-N 2.85Å; G542-F544 WeakPolarHBondContact O-CD2 3.44Å; G542-F544 WeakPolarHBondContact O-CE2 3.47Å
543	R	92	Very high	90.8	Very high	67 Å²	67	41.5 Å²	41.5	25%	0.253	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.9	176.8	-175.7	174.6	-80.6	-114.7	6.1	110.9	E291 T484 C485 I486	E291-R543 IonicContact OE1-CZ 2.6Å; E291-R543 IonicContact OE1-NE 3.39Å; E291-R543 IonicContact OE1-NH2 3.23Å; E291-R543 PolarHBondContact OE1-NH2 2.77Å; E291-R543 WeakPolarHBondContact OE2-CB 3.47Å; E291-R543 IonicContact OE2-CZ 3.71Å; E291-R543 IonicContact OE2-NE 3.9Å; E291-R543 PolarHBondContact OE2-NE 3.16Å; E291-R543 IonicContact OE2-NH2 2.79Å; T484-R543 HydrophobicContact CG2-CG 4.5Å; C485-R543 CarbonylContact O-C 3.58Å; C485-R543 WeakPolarHBondContact O-CA 3.43Å; I486-R543 HydrophobicContact CG1-CG 4.43Å
544	F	90	Very high	91	Very high	34 Å²	34	37.8 Å²	37.8	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149	-177.5	-51.8	-77.9	0	0	0	111.3	C485 F487 F509 A529 R530 G542 L546	C485-F544 PolarHBondContact N-O 2.76Å; C485-F544 PolarHBondContact O-N 2.66Å; F487-F544 AromaticContact CD2-CD2 3.64Å; F487-F544 HydrophobicContact CD2-CD2 3.64Å; F487-F544 AromaticContact CD2-CE2 3.67Å; F487-F544 HydrophobicContact CD2-CE2 3.67Å; F487-F544 AromaticContact CE2-CD2 3.91Å; F487-F544 HydrophobicContact CE2-CD2 3.91Å; F487-F544 HydrophobicContact CE2-CE2 4.33Å; F487-F544 HydrophobicContact CG-CD2 4.43Å; F487-F544 HydrophobicContact CG-CE2 4.42Å; F509-F544 AromaticContact CE2-CE2 3.64Å; F509-F544 HydrophobicContact CE2-CE2 3.64Å; F509-F544 AromaticContact CE2-CZ 3.79Å; F509-F544 HydrophobicContact CE2-CZ 3.79Å; F509-F544 AromaticContact CZ-CE2 3.84Å; F509-F544 HydrophobicContact CZ-CE2 3.84Å; F509-F544 HydrophobicContact CZ-CZ 4.04Å; A529-F544 HydrophobicContact CB-CB 4.26Å; A529-F544 HydrophobicContact CB-CD1 3.36Å; A529-F544 HydrophobicContact CB-CD2 3.69Å; A529-F544 HydrophobicContact CB-CE1 3.51Å; A529-F544 HydrophobicContact CB-CE2 3.82Å; A529-F544 HydrophobicContact CB-CG 3.46Å; A529-F544 VanDerWaalsContact CB-CG 3.46Å; A529-F544 HydrophobicContact CB-CZ 3.74Å; R530-F544 WeakPolarHBondContact O-CZ 3.02Å; G542-F544 WeakPolarHBondContact O-CD2 3.44Å; G542-F544 WeakPolarHBondContact O-CE2 3.47Å; F544-L546 HydrophobicContact CB-CD1 4.13Å; F544-L546 HydrophobicContact CB-CD2 4.11Å; F544-L546 HydrophobicContact CB-CG 3.8Å
545	R	88.2	Confident	91.2	Very high	77 Å²	77	35.2 Å²	35.2	29%	0.291	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.4	165.9	-65.8	-68.3	-69.7	168.7	-10.7	107	D478 D480 L482 C483 T484	D478-R545 VanDerWaalsContact CG-NH2 3.3Å; D478-R545 IonicContact OD1-NH2 2.61Å; D478-R545 IonicContact OD2-CZ 3.55Å; D478-R545 IonicContact OD2-NH1 3.8Å; D478-R545 PolarHBondContact OD2-NH1 3.31Å; D478-R545 IonicContact OD2-NH2 2.83Å; D478-R545 PolarHBondContact OD2-NH2 3.47Å; D478-R545 VanDerWaalsContact OD2-NH2 3.13Å; D480-R545 IonicContact OD1-CZ 2.58Å; D480-R545 IonicContact OD1-NH2 3.85Å; D480-R545 PolarHBondContact OD1-NH2 3.42Å; D480-R545 IonicContact OD2-CZ 3.81Å; D480-R545 IonicContact OD2-NE 2.96Å; D480-R545 PolarHBondContact OD2-NE 3.36Å; D480-R545 IonicContact OD2-NH2 3.8Å; D480-R545 PolarHBondContact OD2-NH2 2.86Å; L482-R545 HydrophobicContact CB-CB 4.38Å; L482-R545 HydrophobicContact CD1-CB 3.82Å; L482-R545 PolarHBondContact O-NH1 3.32Å; L482-R545 PolarHBondContact O-NH2 2.72Å; C483-R545 WeakPolarHBondContact O-CA 3.4Å; T484-R545 PolarHBondContact OG1-NH1 3Å
546	L	88.3	Confident	91.3	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.2	-172.5	-63.9	177.6	0	0	0	110.1	L471 C483 C485 F487 A529 F544 Y551	L471-L546 HydrophobicContact CD1-CB 3.96Å; L471-L546 HydrophobicContact CD1-CD1 4.3Å; C483-L546 WeakPolarHBondContact CB-O 3.38Å; C483-L546 PolarHBondContact N-O 2.94Å; C483-L546 PolarHBondContact O-N 2.85Å; C485-L546 HydrophobicContact CB-CD1 4.23Å; F487-L546 HydrophobicContact CE2-CD1 3.87Å; F487-L546 HydrophobicContact CZ-CD1 3.73Å; A529-L546 HydrophobicContact CB-CD2 4.44Å; F544-L546 HydrophobicContact CB-CD1 4.13Å; F544-L546 HydrophobicContact CB-CD2 4.11Å; F544-L546 HydrophobicContact CB-CG 3.8Å; L546-Y551 HydrophobicContact CB-CE2 4.49Å; L546-Y551 HydrophobicContact CD1-CD1 4.5Å; L546-Y551 HydrophobicContact CD1-CE1 4.29Å; L546-Y551 HydrophobicContact CD2-CE1 4.27Å
547	P	88.4	Confident	91.6	Very high	67 Å²	67	28 Å²	28	44%	0.435	15%	0.151	S	C	.	.			trans	-65.6	153.2	171.4	26.2	-31.7	0	0	0	110.3	L482 G549 Y551	L482-P547 HydrophobicContact CD2-CB 3.96Å; P547-G549 PolarHBondContact O-N 2.75Å; P547-Y551 VanDerWaalsContact CD-OH 3.24Å; P547-Y551 WeakPolarHBondContact CD-OH 3.43Å; P547-Y551 WeakPolarHBondContact CG-OH 3.32Å; P547-Y551 WeakPolarHBondContact O-CE2 3.42Å; P547-Y551 PolarHBondContact O-OH 2.94Å
548	P	88.9	Confident	91.8	Very high	57 Å²	57	29.7 Å²	29.7	37%	0.37	15%	0.154	S	C	.	.	S	Bend	trans	-51	138.2	167.6	-26.8	35.4	0	0	0	111.3	L471 A474 D481	L471-P548 CarbonylContact O-C 3.55Å; L471-P548 VanDerWaalsContact O-CA 3.24Å; L471-P548 WeakPolarHBondContact O-CA 3.19Å; L471-P548 WeakPolarHBondContact O-CB 2.95Å; A474-P548 HydrophobicContact CB-CG 4.41Å; D481-P548 WeakPolarHBondContact O-CD 3.19Å
549	G	88.9	Confident	91.9	Very high	25 Å²	25	32.9 Å²	32.9	26%	0.258	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-173.6	-176.1	0	0	0	0	0	113.9	T470 L471 P547 Y551	T470-G549 WeakPolarHBondContact CA-O 3.43Å; L471-G549 PolarHBondContact N-O 2.8Å; L471-G549 PolarHBondContact O-N 3.22Å; P547-G549 PolarHBondContact O-N 2.75Å; G549-Y551 WeakPolarHBondContact O-CD2 3.27Å; G549-Y551 WeakPolarHBondContact O-CE2 3.07Å
550	D	87.6	Confident	91.9	Very high	92 Å²	92	33.3 Å²	33.3	49%	0.492	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.8	-176	-56.1	-46.9	0	0	0	111.9	T470	T470-D550 WeakPolarHBondContact CB-OD1 3.46Å; T470-D550 VanDerWaalsContact CG2-OD1 3.24Å; T470-D550 WeakPolarHBondContact CG2-OD1 3.36Å; T470-D550 PolarHBondContact OG1-OD1 2.91Å
551	Y	88.8	Confident	92	Very high	16 Å²	16	36 Å²	36	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.3	-178.1	-58.3	-90.4	0	0	0	110.3	A468 I469 L471 G512 L546 P547 G549	A468-Y551 CarbonylContact C-O 3.34Å; A468-Y551 WeakPolarHBondContact CA-O 3.06Å; I469-Y551 PolarHBondContact N-O 3.36Å; I469-Y551 PolarHBondContact O-N 3.05Å; L471-Y551 HydrophobicContact CD1-CD2 4.04Å; L471-Y551 HydrophobicContact CD1-CE2 3.7Å; L471-Y551 HydrophobicContact CG-CD2 4.25Å; L471-Y551 HydrophobicContact CG-CE2 4.2Å; G512-Y551 CarbonylContact O-C 3.57Å; L546-Y551 HydrophobicContact CB-CE2 4.49Å; L546-Y551 HydrophobicContact CD1-CD1 4.5Å; L546-Y551 HydrophobicContact CD1-CE1 4.29Å; L546-Y551 HydrophobicContact CD2-CE1 4.27Å; P547-Y551 VanDerWaalsContact CD-OH 3.24Å; P547-Y551 WeakPolarHBondContact CD-OH 3.43Å; P547-Y551 WeakPolarHBondContact CG-OH 3.32Å; P547-Y551 WeakPolarHBondContact O-CE2 3.42Å; P547-Y551 PolarHBondContact O-OH 2.94Å; G549-Y551 WeakPolarHBondContact O-CD2 3.27Å; G549-Y551 WeakPolarHBondContact O-CE2 3.07Å
552	V	89.7	Confident	92	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.7	173.5	179.8	0	0	0	0	108.6	Q466 Y467 D511 G512 G515 L517 I554 L581	Q466-V552 HydrophobicContact CB-CG1 3.84Å; Q466-V552 HydrophobicContact CG-CG1 4.38Å; Y467-V552 CarbonylContact O-C 3.57Å; Y467-V552 VanDerWaalsContact O-CA 3.3Å; Y467-V552 WeakPolarHBondContact O-CA 3.4Å; D511-V552 CarbonylContact C-O 3.56Å; D511-V552 WeakPolarHBondContact CA-O 3.12Å; G512-V552 PolarHBondContact N-O 2.69Å; G512-V552 PolarHBondContact O-N 3.24Å; G515-V552 WeakPolarHBondContact O-CG2 3.32Å; L517-V552 HydrophobicContact CD1-CB 4.35Å; V552-I554 HydrophobicContact CG1-CD1 4.41Å; V552-I554 HydrophobicContact CG1-CG1 4.04Å; V552-L581 HydrophobicContact CG1-CD1 4.18Å; V552-L581 HydrophobicContact CG2-CD1 4.01Å
553	L	91.9	Very high	92.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.9	176.2	-176.7	61.5	0	0	0	110.2	Y467 I469 F487 F509 V568 V570	Y467-L553 PolarHBondContact N-O 3.37Å; Y467-L553 PolarHBondContact O-N 3.28Å; I469-L553 HydrophobicContact CD1-CB 3.58Å; I469-L553 HydrophobicContact CD1-CD2 3.87Å; I469-L553 HydrophobicContact CD1-CG 4.35Å; I469-L553 HydrophobicContact CG1-CB 4.4Å; F487-L553 HydrophobicContact CB-CD1 4.47Å; F487-L553 HydrophobicContact CB-CD2 4.21Å; F487-L553 HydrophobicContact CD1-CD2 4.41Å; F487-L553 HydrophobicContact CD2-CD1 4.25Å; F487-L553 HydrophobicContact CG-CD1 4.42Å; F487-L553 HydrophobicContact CG-CD2 4.24Å; F509-L553 HydrophobicContact CB-CD1 3.8Å; F509-L553 HydrophobicContact CD2-CD1 3.54Å; F509-L553 HydrophobicContact CE2-CD1 4.39Å; F509-L553 HydrophobicContact CG-CD1 3.89Å; L553-V568 HydrophobicContact CD2-CG1 3.47Å; L553-V568 VanDerWaalsContact CD2-CG1 3.47Å; L553-V570 HydrophobicContact CD2-CG2 4.39Å
554	I	93.5	Very high	92.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	96.5	-177.2	-52.1	-178.2	0	0	0	108.8	F461 N464 Q466 F509 V510 L522 V552	F461-I554 HydrophobicContact CE1-CD1 4.19Å; F461-I554 HydrophobicContact CE2-CG2 4.31Å; F461-I554 HydrophobicContact CZ-CB 4.35Å; F461-I554 HydrophobicContact CZ-CD1 4.41Å; F461-I554 HydrophobicContact CZ-CG2 3.94Å; N464-I554 HydrophobicContact CB-CG2 3.6Å; Q466-I554 HydrophobicContact CG-CD1 4.25Å; Q466-I554 HydrophobicContact CG-CG1 4.17Å; F509-I554 WeakPolarHBondContact CA-O 3.19Å; V510-I554 PolarHBondContact N-O 2.93Å; V510-I554 VanDerWaalsContact N-O 3.15Å; V510-I554 WeakPolarHBondContact O-CB 3.43Å; V510-I554 PolarHBondContact O-N 3.43Å; L522-I554 HydrophobicContact CD1-CD1 4.06Å; L522-I554 HydrophobicContact CD2-CD1 3.45Å; L522-I554 VanDerWaalsContact CD2-CD1 3.45Å; L522-I554 HydrophobicContact CG-CD1 4.43Å; V552-I554 HydrophobicContact CG1-CD1 4.41Å; V552-I554 HydrophobicContact CG1-CG1 4.04Å
555	P	95.6	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.9	171.3	31.3	-36.2	0	0	0	110.2	W445 P465 Y467 V489 F566 V568	W445-P555 HydrophobicContact CZ2-CB 4.11Å; W445-P555 PolarHBondContact NE1-O 3.19Å; W445-P555 VanDerWaalsContact NE1-O 3.1Å; P465-P555 WeakPolarHBondContact O-CD 3.28Å; Y467-P555 HydrophobicContact CD2-CG 4.12Å; Y467-P555 HydrophobicContact CE2-CG 3.64Å; V489-P555 HydrophobicContact CB-CB 4.5Å; V489-P555 HydrophobicContact CG1-CB 3.81Å; V489-P555 HydrophobicContact CG2-CB 3.78Å; P555-F566 HydrophobicContact CB-CD2 4.29Å; P555-F566 HydrophobicContact CB-CE2 3.97Å; P555-F566 HydrophobicContact CB-CZ 4.29Å; P555-F566 HydrophobicContact CG-CD2 4.18Å; P555-F566 HydrophobicContact CG-CE1 4.49Å; P555-F566 HydrophobicContact CG-CE2 3.38Å; P555-F566 HydrophobicContact CG-CZ 3.55Å; P555-V568 HydrophobicContact CB-CG2 3.98Å; P555-V568 HydrophobicContact CG-CG2 3.67Å
556	S	95.8	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.3	177.1	81.4	0	0	0	0	112.5	G453 G508 F534	G453-S556 WeakPolarHBondContact O-CB 3.43Å; G453-S556 PolarHBondContact O-OG 2.9Å; G508-S556 PolarHBondContact N-O 3.37Å; G508-S556 PolarHBondContact O-N 2.79Å; G508-S556 VanDerWaalsContact O-O 3.09Å; F534-S556 WeakPolarHBondContact CE1-O 3.39Å; F534-S556 VanDerWaalsContact CE1-OG 3.29Å; F534-S556 WeakPolarHBondContact CE1-OG 3.43Å; F534-S556 WeakPolarHBondContact CZ-OG 3.5Å
557	T	96.6	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	165.3	161.6	58.2	0	0	0	0	109.9	W445 G453 C454 L505 P506 I507 F534 Q559 E562	W445-T557 HydrophobicContact CD2-CG2 3.69Å; W445-T557 HydrophobicContact CE3-CG2 3.67Å; W445-T557 HydrophobicContact CG-CG2 4.14Å; W445-T557 HydrophobicContact CH2-CG2 4.43Å; W445-T557 HydrophobicContact CZ2-CG2 4.44Å; W445-T557 HydrophobicContact CZ3-CG2 4.06Å; G453-T557 CarbonylContact C-O 3.52Å; G453-T557 WeakPolarHBondContact CA-O 3.4Å; C454-T557 PolarHBondContact N-O 2.99Å; C454-T557 VanDerWaalsContact N-O 3.14Å; L505-T557 HydrophobicContact CB-CG2 4.45Å; L505-T557 HydrophobicContact CD1-CG2 3.56Å; P506-T557 CarbonylContact O-C 3.38Å; P506-T557 WeakPolarHBondContact O-CA 3.48Å; I507-T557 HydrophobicContact CG2-CG2 4.49Å; F534-T557 WeakPolarHBondContact CE1-O 3.35Å; T557-Q559 PolarHBondContact OG1-O 2.96Å; T557-E562 WeakPolarHBondContact CB-OE2 3.38Å; T557-E562 HydrophobicContact CG2-CB 3.98Å
558	Y	95.9	Very high	93.2	Very high	93 Å²	93	29.9 Å²	29.9	37%	0.365	16%	0.157	S	C	.	.	S	Bend	trans	-68.8	-49	176.5	-177.6	-114.1	0	0	0	111.2	C454 F457 P506 F534	C454-Y558 HydrophobicContact CB-CD2 4.4Å; C454-Y558 PolarHBondContact N-O 2.97Å; C454-Y558 VanDerWaalsContact N-O 3.14Å; C454-Y558 PolarHBondContact SG-O 2.93Å; F457-Y558 WeakPolarHBondContact CE2-O 3.37Å; P506-Y558 PolarHBondContact O-N 3.2Å; F534-Y558 HydrophobicContact CB-CD2 3.92Å; F534-Y558 HydrophobicContact CB-CG 4.29Å; F534-Y558 HydrophobicContact CD1-CD2 4.38Å; F534-Y558 AromaticContact CD2-CD2 4Å; F534-Y558 HydrophobicContact CD2-CD2 4Å; F534-Y558 AromaticContact CG-CD2 3.83Å; F534-Y558 HydrophobicContact CG-CD2 3.83Å; F534-Y558 HydrophobicContact CG-CG 4.39Å
559	Q	96.5	Very high	93.5	Very high	81 Å²	81	27.3 Å²	27.3	38%	0.379	14%	0.139	S	C	.	.	S	Bend	trans	-97	146.7	179.2	-63.4	-69	-24.7	0	0	111.4	T557 E562	T557-Q559 PolarHBondContact OG1-O 2.96Å; Q559-E562 HydrophobicContact CB-CG 3.93Å; Q559-E562 PolarHBondContact N-OE2 3.46Å; Q559-E562 VanDerWaalsContact N-OE2 3.1Å
560	P	95.3	Very high	93.8	Very high	27 Å²	27	26.2 Å²	26.2	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	156.6	172	30.8	-35.8	0	0	0	110.9	F457 E562	F457-P560 HydrophobicContact CD1-CG 3.83Å; F457-P560 HydrophobicContact CD2-CG 4.48Å; F457-P560 HydrophobicContact CE1-CG 3.94Å; F457-P560 HydrophobicContact CG-CG 4.12Å; F457-P560 HydrophobicContact CZ-CG 4.33Å; P560-E562 PolarHBondContact O-N 3.06Å
561	N	94.8	Very high	94.1	Very high	75 Å²	75	22.1 Å²	22.1	40%	0.401	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	8.9	-179.8	-47	-70	0	0	0	115.8	R447 A451	R447-N561 HydrophobicContact CB-CB 4.41Å; R447-N561 HydrophobicContact CG-CB 3.84Å; A451-N561 PolarHBondContact O-N 2.95Å
562	E	94.1	Very high	94.2	Very high	47 Å²	47	21.3 Å²	21.3	22%	0.22	10%	0.102	C	C	.	.			trans	-76.1	124.6	167.8	-63	-175.1	126.8	0	0	109.2	W445 A451 L505 T557 Q559 P560	W445-E562 WeakPolarHBondContact CB-O 3.29Å; A451-E562 VanDerWaalsContact CB-O 3.27Å; A451-E562 WeakPolarHBondContact CB-O 3.22Å; L505-E562 HydrophobicContact CD1-CB 3.78Å; L505-E562 HydrophobicContact CD2-CB 4.16Å; L505-E562 HydrophobicContact CD2-CG 4.4Å; T557-E562 WeakPolarHBondContact CB-OE2 3.38Å; T557-E562 HydrophobicContact CG2-CB 3.98Å; Q559-E562 HydrophobicContact CB-CG 3.93Å; Q559-E562 PolarHBondContact N-OE2 3.46Å; Q559-E562 VanDerWaalsContact N-OE2 3.1Å; P560-E562 PolarHBondContact O-N 3.06Å
563	E	92.4	Very high	94	Very high	48 Å²	48	22.6 Å²	22.6	22%	0.224	11%	0.109	C	C	.	.			trans	-100.9	141.8	-173.6	-55.9	-170.9	115.1	0	0	111.1	P98 W445 R447 R494	P98-E563 HydrophobicContact CG-CB 3.94Å; W445-E563 VanDerWaalsContact O-CA 3.22Å; W445-E563 WeakPolarHBondContact O-CA 3.23Å; R447-E563 HydrophobicContact CB-CG 3.95Å; R447-E563 VanDerWaalsContact CB-OE1 3.23Å; R447-E563 WeakPolarHBondContact CB-OE1 3.44Å; R447-E563 PolarHBondContact N-OE1 2.99Å; R494-E563 PolarHBondContact NH1-O 3.09Å; R494-E563 PolarHBondContact NH2-O 3.04Å
564	G	92.2	Very high	93.5	Very high	4 Å²	4	22.7 Å²	22.7	4%	0.041	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	156.2	177.5	0	0	0	0	0	113.3	I444 W445	I444-G564 CarbonylContact C-O 3.53Å; I444-G564 WeakPolarHBondContact CA-O 3.33Å; W445-G564 PolarHBondContact N-O 3.4Å; W445-G564 PolarHBondContact O-N 3.36Å
565	E	93.5	Very high	92.9	Very high	57 Å²	57	27.1 Å²	27.1	27%	0.266	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.5	165.4	-66.5	178.4	-127.7	0	0	109.5	P98 I444 K492	P98-E565 HydrophobicContact CB-CG 3.67Å; I444-E565 HydrophobicContact CG1-CG 4.44Å; K492-E565 HydrophobicContact CB-CB 4.12Å; K492-E565 HydrophobicContact CD-CB 4.16Å; K492-E565 HydrophobicContact CG-CB 4.43Å; K492-E565 PolarHBondContact N-O 3.42Å
566	F	95.1	Very high	92.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168.7	-179.8	68.5	-96.9	0	0	0	111.5	G443 I444 W445 P465 Y467 L490 K492 P555 V568	G443-F566 VanDerWaalsContact C-CE1 3.46Å; G443-F566 PolarHBondContact N-O 2.75Å; G443-F566 PolarHBondContact O-N 2.84Å; I444-F566 VanDerWaalsContact N-CE1 3.26Å; W445-F566 AromaticContact CD1-CE1 3.8Å; W445-F566 AromaticContact CD2-CD1 3.4Å; W445-F566 HydrophobicContact CD2-CD1 3.4Å; W445-F566 VanDerWaalsContact CD2-CD1 3.4Å; W445-F566 AromaticContact CD2-CE1 3.77Å; W445-F566 HydrophobicContact CD2-CE1 3.77Å; W445-F566 HydrophobicContact CD2-CG 4.37Å; W445-F566 AromaticContact CE2-CD1 3.36Å; W445-F566 AromaticContact CE2-CE1 3.53Å; W445-F566 HydrophobicContact CE3-CB 4.27Å; W445-F566 AromaticContact CE3-CD1 3.63Å; W445-F566 HydrophobicContact CE3-CD1 3.63Å; W445-F566 HydrophobicContact CE3-CE1 4.44Å; W445-F566 HydrophobicContact CE3-CG 4.34Å; W445-F566 HydrophobicContact CG-CD1 4.01Å; W445-F566 AromaticContact CG-CE1 3.95Å; W445-F566 HydrophobicContact CG-CE1 3.95Å; W445-F566 HydrophobicContact CH2-CB 3.59Å; W445-F566 AromaticContact CH2-CD1 3.8Å; W445-F566 HydrophobicContact CH2-CD1 3.8Å; W445-F566 AromaticContact CH2-CG 3.8Å; W445-F566 HydrophobicContact CH2-CG 3.8Å; W445-F566 HydrophobicContact CZ2-CB 4.16Å; W445-F566 AromaticContact CZ2-CD1 3.59Å; W445-F566 HydrophobicContact CZ2-CD1 3.59Å; W445-F566 HydrophobicContact CZ2-CE1 4.05Å; W445-F566 AromaticContact CZ2-CG 3.84Å; W445-F566 HydrophobicContact CZ2-CG 3.84Å; W445-F566 HydrophobicContact CZ3-CB 3.66Å; W445-F566 AromaticContact CZ3-CD1 3.82Å; W445-F566 HydrophobicContact CZ3-CD1 3.82Å; W445-F566 HydrophobicContact CZ3-CG 4.07Å; W445-F566 AromaticContact NE1-CD1 3.87Å; W445-F566 AromaticContact NE1-CE1 3.51Å; P465-F566 HydrophobicContact CB-CZ 3.97Å; P465-F566 HydrophobicContact CG-CE1 4.05Å; P465-F566 HydrophobicContact CG-CZ 3.75Å; Y467-F566 HydrophobicContact CE2-CE2 4.01Å; Y467-F566 HydrophobicContact CE2-CZ 4.25Å; Y467-F566 WeakPolarHBondContact OH-CE2 3.4Å; L490-F566 CarbonylContact O-C 3.55Å; L490-F566 WeakPolarHBondContact O-CA 3.36Å; L490-F566 VanDerWaalsContact O-CB 3.22Å; L490-F566 WeakPolarHBondContact O-CB 3.48Å; K492-F566 WeakPolarHBondContact CE-O 3.26Å; P555-F566 HydrophobicContact CB-CD2 4.29Å; P555-F566 HydrophobicContact CB-CE2 3.97Å; P555-F566 HydrophobicContact CB-CZ 4.29Å; P555-F566 HydrophobicContact CG-CD2 4.18Å; P555-F566 HydrophobicContact CG-CE1 4.49Å; P555-F566 HydrophobicContact CG-CE2 3.38Å; P555-F566 HydrophobicContact CG-CZ 3.55Å; F566-V568 HydrophobicContact CD2-CG2 4.04Å; F566-V568 HydrophobicContact CE2-CG2 3.77Å
567	M	95.1	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.4	174	172.3	176.6	-76.4	0	0	108.5	W222 Y224 V440 H441 D442 V489 L490 R569	W222-M567 HydrophobicContact CH2-SD 3.78Å; W222-M567 HydrophobicContact CZ2-SD 4.08Å; Y224-M567 WeakPolarHBondContact O-CE 3.22Å; V440-M567 HydrophobicContact CG1-CE 3.57Å; V440-M567 HydrophobicContact CG1-CG 3.55Å; V440-M567 HydrophobicContact CG1-SD 3.48Å; V440-M567 WeakPolarHBondContact CG1-SD 3.4Å; H441-M567 CarbonylContact O-C 3.6Å; H441-M567 WeakPolarHBondContact O-CA 3.36Å; D442-M567 WeakPolarHBondContact OD1-CE 3.47Å; V489-M567 WeakPolarHBondContact CA-O 3.34Å; L490-M567 HydrophobicContact CB-CB 4.36Å; L490-M567 HydrophobicContact CD2-CB 4.39Å; L490-M567 PolarHBondContact N-O 3.01Å; L490-M567 PolarHBondContact O-N 3.18Å; M567-R569 HydrophobicContact CG-CG 3.77Å; M567-R569 HydrophobicContact SD-CG 4.03Å
568	V	95.7	Very high	91.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.9	169.8	169.6	0	0	0	0	108.2	V440 H441 Y467 G488 V489 L553 P555 F566 V570	V440-V568 CarbonylContact C-O 3.59Å; V440-V568 VanDerWaalsContact CA-O 3.31Å; V440-V568 WeakPolarHBondContact CA-O 3.45Å; H441-V568 HydrophobicContact CB-CB 4.37Å; H441-V568 PolarHBondContact N-O 3.36Å; H441-V568 PolarHBondContact O-N 3.49Å; Y467-V568 HydrophobicContact CD2-CG2 4.1Å; Y467-V568 HydrophobicContact CE2-CG2 3.86Å; G488-V568 CarbonylContact O-C 3.5Å; G488-V568 WeakPolarHBondContact O-CA 3.09Å; V489-V568 HydrophobicContact CG2-CG2 4.4Å; L553-V568 HydrophobicContact CD2-CG1 3.47Å; L553-V568 VanDerWaalsContact CD2-CG1 3.47Å; P555-V568 HydrophobicContact CB-CG2 3.98Å; P555-V568 HydrophobicContact CG-CG2 3.67Å; F566-V568 HydrophobicContact CD2-CG2 4.04Å; F566-V568 HydrophobicContact CE2-CG2 3.77Å; V568-V570 HydrophobicContact CG1-CG2 4.39Å
569	R	95	Very high	91.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.5	179	-53.6	-165.9	-66.4	168.5	6.1	109.2	E283 G288 L289 S439 V440 F487 G488 E539 M567	E283-R569 IonicContact OE1-NH2 2.67Å; E283-R569 PolarHBondContact OE1-NH2 2.89Å; G288-R569 PolarHBondContact O-NH1 3.02Å; G288-R569 PolarHBondContact O-NH2 2.92Å; L289-R569 HydrophobicContact CD1-CB 3.92Å; S439-R569 WeakPolarHBondContact O-CA 3.39Å; V440-R569 HydrophobicContact CG2-CG 4.4Å; F487-R569 CarbonylContact C-O 3.57Å; F487-R569 WeakPolarHBondContact CA-O 3.39Å; G488-R569 PolarHBondContact N-O 3.48Å; G488-R569 PolarHBondContact O-N 3.01Å; E539-R569 IonicContact OE1-CZ 2.94Å; E539-R569 VanDerWaalsContact OE1-CZ 3.28Å; E539-R569 IonicContact OE1-NE 2.81Å; E539-R569 PolarHBondContact OE1-NE 2.65Å; E539-R569 IonicContact OE1-NH2 3.45Å; E539-R569 PolarHBondContact OE1-NH2 3.19Å; E539-R569 IonicContact OE2-CZ 3.51Å; E539-R569 IonicContact OE2-NE 3.57Å; E539-R569 PolarHBondContact OE2-NE 3.18Å; E539-R569 IonicContact OE2-NH2 2.82Å; E539-R569 PolarHBondContact OE2-NH2 2.91Å; M567-R569 HydrophobicContact CG-CG 3.77Å; M567-R569 HydrophobicContact SD-CG 4.03Å
570	V	94.2	Very high	91	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126	177.9	-179.6	0	0	0	0	107.7	T438 S439 I469 I486 F487 L553 V568 L576	T438-V570 CarbonylContact C-O 3.59Å; T438-V570 WeakPolarHBondContact CA-O 3.36Å; S439-V570 PolarHBondContact N-O 2.95Å; S439-V570 PolarHBondContact O-N 2.93Å; I469-V570 HydrophobicContact CD1-CG2 3.76Å; I469-V570 HydrophobicContact CG1-CG2 4.5Å; I486-V570 WeakPolarHBondContact O-CA 3.27Å; F487-V570 HydrophobicContact CD1-CB 4.32Å; F487-V570 HydrophobicContact CD1-CG1 3.85Å; F487-V570 HydrophobicContact CD1-CG2 3.96Å; F487-V570 HydrophobicContact CE1-CG1 3.73Å; F487-V570 HydrophobicContact CE1-CG2 4.32Å; L553-V570 HydrophobicContact CD2-CG2 4.39Å; V568-V570 HydrophobicContact CG1-CG2 4.39Å; V570-L576 HydrophobicContact CB-CD2 4.07Å; V570-L576 HydrophobicContact CG1-CD1 3.97Å; V570-L576 HydrophobicContact CG1-CD2 3.77Å
571	F	93.7	Very high	90.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.2	173.2	-78.6	-125.6	0	0	0	108	L289 N414 W436 N437 T438 C485 I486	L289-F571 HydrophobicContact CB-CD2 4.01Å; L289-F571 HydrophobicContact CB-CE1 4.22Å; L289-F571 HydrophobicContact CB-CE2 3.62Å; L289-F571 HydrophobicContact CB-CG 4.5Å; L289-F571 HydrophobicContact CB-CZ 3.74Å; L289-F571 HydrophobicContact CD1-CD2 3.59Å; L289-F571 HydrophobicContact CD1-CE2 3.83Å; L289-F571 HydrophobicContact CD1-CG 4.37Å; L289-F571 HydrophobicContact CG-CD2 4.43Å; L289-F571 HydrophobicContact CG-CE2 4.39Å; N414-F571 HydrophobicContact CB-CD1 4.16Å; N414-F571 HydrophobicContact CB-CE1 4.21Å; W436-F571 HydrophobicContact CB-CD1 3.76Å; W436-F571 HydrophobicContact CB-CE1 4.4Å; W436-F571 AromaticContact CD1-CD1 3.97Å; W436-F571 HydrophobicContact CD2-CB 4.23Å; W436-F571 HydrophobicContact CD2-CD1 4.08Å; W436-F571 HydrophobicContact CE3-CB 4Å; W436-F571 AromaticContact CG-CD1 3.66Å; W436-F571 HydrophobicContact CG-CD1 3.66Å; W436-F571 HydrophobicContact CG-CE1 4.42Å; N437-F571 CarbonylContact O-C 3.43Å; N437-F571 WeakPolarHBondContact O-CA 3.45Å; T438-F571 HydrophobicContact CG2-CD1 3.63Å; T438-F571 HydrophobicContact CG2-CD2 3.85Å; T438-F571 HydrophobicContact CG2-CE1 3.6Å; T438-F571 HydrophobicContact CG2-CE2 3.8Å; T438-F571 HydrophobicContact CG2-CG 3.75Å; T438-F571 HydrophobicContact CG2-CZ 3.68Å; C485-F571 CarbonylContact C-O 3.51Å; C485-F571 WeakPolarHBondContact CA-O 3.4Å; I486-F571 HydrophobicContact CB-CB 4.18Å; I486-F571 HydrophobicContact CD1-CB 4.23Å; I486-F571 PolarHBondContact N-O 2.8Å; I486-F571 PolarHBondContact O-N 3.24Å
572	T	92	Very high	89.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155	175.8	-176	0	0	0	0	112.1	N437 L471 T484 G574 L576	N437-T572 HydrophobicContact CB-CG2 4.26Å; N437-T572 PolarHBondContact N-O 3.07Å; N437-T572 PolarHBondContact O-N 2.8Å; L471-T572 HydrophobicContact CD2-CG2 4.3Å; T484-T572 WeakPolarHBondContact O-CA 3.47Å; T484-T572 VanDerWaalsContact O-CB 3.31Å; T484-T572 WeakPolarHBondContact O-CB 3.09Å; T484-T572 PolarHBondContact O-OG1 3.31Å; T572-G574 WeakPolarHBondContact CG2-O 3.5Å; T572-G574 PolarHBondContact OG1-N 3.38Å; T572-L576 HydrophobicContact CG2-CB 3.75Å; T572-L576 HydrophobicContact CG2-CD1 4.3Å; T572-L576 HydrophobicContact CG2-CD2 4.16Å; T572-L576 HydrophobicContact CG2-CG 4.29Å
573	N	85.2	Confident	89.1	Confident	29 Å²	29	42.4 Å²	42.4	16%	0.155	21%	0.214	C	C	.	.	S	Bend	trans	-85.8	-14.1	172.5	56.5	-13.8	0	0	0	113.1	D475 D478 T484	D475-N573 HydrophobicContact CB-CB 4.05Å; D475-N573 WeakPolarHBondContact CB-ND2 3.37Å; D475-N573 WeakPolarHBondContact OD2-CB 3.47Å; D475-N573 PolarHBondContact OD2-ND2 3.05Å; D478-N573 PolarHBondContact OD2-ND2 3.46Å; T484-N573 WeakPolarHBondContact CA-OD1 3.48Å; T484-N573 WeakPolarHBondContact CB-OD1 3.4Å; T484-N573 PolarHBondContact N-OD1 2.94Å; T484-N573 PolarHBondContact O-N 3.01Å; T484-N573 PolarHBondContact O-OD1 3.1Å
574	G	80.9	Confident	89	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-88.1	175.9	172.8	0	0	0	0	0	112.8	N437 D473 T572	N437-G574 WeakPolarHBondContact CB-O 3.47Å; N437-G574 PolarHBondContact ND2-O 3.5Å; D473-G574 VanDerWaalsContact O-CA 3.26Å; D473-G574 WeakPolarHBondContact O-CA 3.44Å; T572-G574 WeakPolarHBondContact CG2-O 3.5Å; T572-G574 PolarHBondContact OG1-N 3.38Å
575	L	81.5	Confident	88.8	Confident	95 Å²	95	44.2 Å²	44.2	50%	0.497	22%	0.223	S	C	.	.			trans	-72.9	143.8	169.1	-60.9	168.5	0	0	0	110.4	T472 D473	T472-L575 PolarHBondContact N-O 3.42Å; T472-L575 VanDerWaalsContact OG1-CB 3.23Å; T472-L575 WeakPolarHBondContact OG1-CB 3.27Å; D473-L575 WeakPolarHBondContact OD1-CB 3.28Å; D473-L575 WeakPolarHBondContact OD1-CD1 3.34Å; D473-L575 WeakPolarHBondContact OD1-CG 3.27Å; D473-L575 PolarHBondContact OD1-N 2.87Å
576	L	86.3	Confident	88.5	Confident	35 Å²	35	43.4 Å²	43.4	18%	0.183	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.1	-169	177.2	65.9	0	0	0	110.4	N437 I469 L471 V570 T572 T578	N437-L576 HydrophobicContact CB-CB 4.46Å; I469-L576 HydrophobicContact CG2-CD1 3.69Å; L471-L576 HydrophobicContact CD2-CD1 3.96Å; V570-L576 HydrophobicContact CB-CD2 4.07Å; V570-L576 HydrophobicContact CG1-CD1 3.97Å; V570-L576 HydrophobicContact CG1-CD2 3.77Å; T572-L576 HydrophobicContact CG2-CB 3.75Å; T572-L576 HydrophobicContact CG2-CD1 4.3Å; T572-L576 HydrophobicContact CG2-CD2 4.16Å; T572-L576 HydrophobicContact CG2-CG 4.29Å; L576-T578 HydrophobicContact CD1-CG2 3.75Å; L576-T578 HydrophobicContact CD2-CG2 4.29Å; L576-T578 HydrophobicContact CG-CG2 3.94Å
577	E	89	Confident	88.1	Confident	131 Å²	131	46.1 Å²	46.1	61%	0.612	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.9	164.4	-65.2	-176.9	178.7	0	0	109.3	T470	T470-E577 PolarHBondContact N-O 3.33Å; T470-E577 PolarHBondContact O-N 3.09Å
578	T	87.6	Confident	87.6	Confident	42 Å²	42	49.2 Å²	49.2	26%	0.258	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.9	179	61.1	0	0	0	0	112	S439 H441 A468 I469 L576	S439-T578 PolarHBondContact OG-OG1 3.04Å; H441-T578 PolarHBondContact CE1-OG1 3.18Å; H441-T578 VanDerWaalsContact NE2-CB 3.28Å; H441-T578 WeakPolarHBondContact NE2-CB 3.37Å; H441-T578 PolarHBondContact NE2-OG1 2.75Å; A468-T578 WeakPolarHBondContact O-CA 3.36Å; A468-T578 WeakPolarHBondContact O-CB 3.43Å; I469-T578 HydrophobicContact CG1-CG2 4.16Å; L576-T578 HydrophobicContact CD1-CG2 3.75Å; L576-T578 HydrophobicContact CD2-CG2 4.29Å; L576-T578 HydrophobicContact CG-CG2 3.94Å
579	E	89.1	Confident	87.1	Confident	126 Å²	126	52.6 Å²	52.6	59%	0.589	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.1	-179.4	-177.5	-177.7	178.9	0	0	110.4	Y467 A468 L581	Y467-E579 CarbonylContact C-O 3.45Å; Y467-E579 WeakPolarHBondContact CA-O 3.29Å; A468-E579 HydrophobicContact CB-CB 4.27Å; A468-E579 PolarHBondContact N-O 3.49Å; A468-E579 PolarHBondContact O-N 3.49Å; E579-L581 PolarHBondContact O-N 2.84Å
580	V	87.5	Confident	86.4	Confident	75 Å²	75	56.5 Å²	56.5	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.5	171	-172.7	0	0	0	0	108.8	Y467	Y467-V580 HydrophobicContact CD1-CB 4.43Å; Y467-V580 HydrophobicContact CD1-CG1 4.41Å; Y467-V580 HydrophobicContact CD1-CG2 3.96Å; Y467-V580 HydrophobicContact CE1-CB 4.42Å; Y467-V580 HydrophobicContact CE1-CG1 4.08Å; Y467-V580 HydrophobicContact CE1-CG2 3.83Å
581	L	81.8	Confident	85.8	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.277	31%	0.31	S	S	.	.			trans	-85.4	-37.4	-179.9	-62.4	177.6	0	0	0	112.5	Q466 A468 V552 E579	Q466-L581 HydrophobicContact CB-CB 4.13Å; Q466-L581 HydrophobicContact CB-CD1 4.41Å; Q466-L581 WeakPolarHBondContact O-CB 3.44Å; Q466-L581 PolarHBondContact O-N 2.6Å; A468-L581 HydrophobicContact CB-CD1 3.96Å; A468-L581 HydrophobicContact CB-CD2 3.92Å; A468-L581 HydrophobicContact CB-CG 3.86Å; V552-L581 HydrophobicContact CG1-CD1 4.18Å; V552-L581 HydrophobicContact CG2-CD1 4.01Å; E579-L581 PolarHBondContact O-N 2.84Å
582	Q	75.1	Confident	85.1	Confident	139 Å²	139	66.1 Å²	66.1	65%	0.65	34%	0.336	S	S	*	.			trans	-155.8	0	-177.5	-173.6	175.2	-23.2	0	0	113.2	P465 Q466	P465-Q582 VanDerWaalsContact CA-O 3.29Å; P465-Q582 WeakPolarHBondContact CA-O 3.43Å; Q466-Q582 PolarHBondContact N-O 3.38Å; Q466-Q582 PolarHBondContact O-N 3.47Å

Retrieved 582 of 582 residues in 238.1 ms (Link to these results)

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