A0A077ZAN6_TRITR Loading...

Electron transfer flavoprotein-ubiquinone oxidoreductase

Accepts electrons from ETF and reduces ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZAN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 576 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	36.1	Very low	30.8	Very low	242 Å²	242	149.6 Å²	149.6	100%	1.192	86%	0.856	S	S	*	*				0	124.5	0	-51.6	172.9	-167.5	0	0	105.7
2	I	33.3	Very low	31.1	Very low	171 Å²	171	150.2 Å²	150.2	88%	0.877	85%	0.852	S	S	*	*			cis	-106.6	163.9	8	-70.9	160.8	0	0	0	110.4
3	T	32.1	Very low	31.2	Very low	132 Å²	132	150.2 Å²	150.2	81%	0.81	85%	0.848	S	S	*	*			trans	-88	144.7	-166.6	-41.9	0	0	0	0	113.4
4	Y	25.2	Very low	31.5	Very low	224 Å²	224	155.9 Å²	155.9	88%	0.878	85%	0.849	S	S	*	*			trans	-66.2	147.2	167.8	-80.6	-107	0	0	0	111.9
5	C	31.1	Very low	31.8	Very low	127 Å²	127	157 Å²	157	86%	0.858	84%	0.842	S	S	*	*			trans	-144.2	108.4	152.7	-160.5	0	0	0	0	109.6
6	S	26.4	Very low	32.1	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	82%	0.819	S	S	*	*			trans	-101.1	120	-179.7	54.1	0	0	0	0	110.8
7	L	32.6	Very low	32.5	Very low	173 Å²	173	145.9 Å²	145.9	91%	0.906	80%	0.799	S	S	*	*			trans	-118.9	127.3	163.4	-87.3	167.7	0	0	0	109.3
8	A	28.7	Very low	32.7	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	78%	0.776	S	S	*	*			trans	-96.9	137.5	-170.8	0	0	0	0	0	112.3
9	M	29	Very low	33	Very low	185 Å²	185	138.1 Å²	138.1	91%	0.911	77%	0.766	S	S	*	*			trans	-128.1	87.4	162.5	-79.4	-162.5	172.7	0	0	110.5	G11	M9-G11 VanDerWaalsContact C-N 3.28Å; M9-G11 PolarHBondContact O-N 2.8Å
10	P	30.1	Very low	33.1	Very low	135 Å²	135	140.2 Å²	140.2	88%	0.877	76%	0.763	S	S	*	*			trans	-77.1	76.6	176.1	32.5	-34.1	0	0	0	110.7
11	G	34	Very low	33.1	Very low	57 Å²	57	139.8 Å²	139.8	59%	0.588	76%	0.756	S	S	*	*	S	Bend	trans	-134.8	-60.7	-175.7	0	0	0	0	0	115.5	M9	M9-G11 VanDerWaalsContact C-N 3.28Å; M9-G11 PolarHBondContact O-N 2.8Å
12	L	34.3	Very low	33	Very low	156 Å²	156	134 Å²	134	82%	0.817	73%	0.729	S	S	*	*	S	Bend	trans	-84.5	-28.9	-166.1	-83	76.3	0	0	0	115.1	R14 K15	L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.25Å; L12-R14 VanDerWaalsContact O-N 3.16Å; L12-K15 PolarHBondContact O-N 3.01Å; L12-K15 VanDerWaalsContact O-N 3.09Å
13	L	32.9	Very low	33.1	Very low	151 Å²	151	128 Å²	128	79%	0.791	70%	0.702	S	S	*	*	H	α-helix	trans	-63.2	-26.5	-168.8	-79.7	164.1	0	0	0	114.8	K15 A16 S17	L13-K15 PolarHBondContact O-N 2.79Å; L13-A16 PolarHBondContact O-N 3.27Å; L13-S17 PolarHBondContact O-N 2.94Å
14	R	35.6	Very low	33.2	Very low	229 Å²	229	124.2 Å²	124.2	86%	0.864	68%	0.684	S	S	*	*	H	α-helix	trans	-70.7	-25.3	176.1	-81.2	-168.1	172.9	-157.7	-2.1	114	L12	L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.25Å; L12-R14 VanDerWaalsContact O-N 3.16Å
15	K	36	Very low	33.6	Very low	173 Å²	173	120.7 Å²	120.7	75%	0.752	68%	0.675	S	S	*	*	H	α-helix	trans	-79.7	-34.6	174.8	-75.3	-170.6	174.7	-176.6	0	112.4	L12 L13 S17 A18 V19	L12-K15 PolarHBondContact O-N 3.01Å; L12-K15 VanDerWaalsContact O-N 3.09Å; L13-K15 PolarHBondContact O-N 2.79Å; K15-S17 PolarHBondContact O-N 3.29Å; K15-A18 PolarHBondContact O-N 3.2Å; K15-V19 WeakPolarHBondContact O-CG2 3.37Å; K15-V19 PolarHBondContact O-N 3.47Å; K15-V19 VanDerWaalsContact O-N 3.12Å
16	A	37	Very low	33.5	Very low	56 Å²	56	124.5 Å²	124.5	46%	0.463	67%	0.672	S	S	.	*	H	α-helix	trans	-60.6	-44.9	176.6	0	0	0	0	0	112.4	L13 V19 Y20	L13-A16 PolarHBondContact O-N 3.27Å; A16-V19 PolarHBondContact O-N 2.56Å; A16-Y20 PolarHBondContact O-N 2.77Å
17	S	38.5	Very low	33.7	Very low	69 Å²	69	126.6 Å²	126.6	48%	0.483	67%	0.674	S	S	.	*	H	α-helix	trans	-60.3	-46.8	178.2	-172.6	0	0	0	0	112.7	L13 K15 V19 Y20 Q21	L13-S17 PolarHBondContact O-N 2.94Å; K15-S17 PolarHBondContact O-N 3.29Å; S17-V19 PolarHBondContact O-N 2.76Å; S17-Y20 PolarHBondContact O-N 3.27Å; S17-Q21 PolarHBondContact O-N 3.24Å
18	A	36.1	Very low	33.6	Very low	46 Å²	46	124.5 Å²	124.5	38%	0.38	66%	0.663	S	S	.	*	H	α-helix	trans	-63.6	-40	179.2	0	0	0	0	0	112.7	K15 Q21 L22	K15-A18 PolarHBondContact O-N 3.2Å; A18-Q21 PolarHBondContact O-N 2.83Å; A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 WeakPolarHBondContact O-CG 3.12Å; A18-L22 PolarHBondContact O-N 3.05Å
19	V	37.7	Very low	33.9	Very low	97 Å²	97	124.6 Å²	124.6	59%	0.588	66%	0.658	S	S	*	*	H	α-helix	trans	-65.1	-41	175	173	0	0	0	0	110.9	K15 A16 S17 L22 S23	K15-V19 WeakPolarHBondContact O-CG2 3.37Å; K15-V19 PolarHBondContact O-N 3.47Å; K15-V19 VanDerWaalsContact O-N 3.12Å; A16-V19 PolarHBondContact O-N 2.56Å; S17-V19 PolarHBondContact O-N 2.76Å; V19-L22 PolarHBondContact O-N 2.66Å; V19-S23 PolarHBondContact O-N 2.97Å; V19-S23 PolarHBondContact O-OG 3.34Å
20	Y	35.4	Very low	34.5	Very low	180 Å²	180	120.4 Å²	120.4	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-66.3	-38.1	177.8	-118.2	-88.6	0	0	0	113.2	A16 S17 S23 A24	A16-Y20 PolarHBondContact O-N 2.77Å; S17-Y20 PolarHBondContact O-N 3.27Å; Y20-S23 WeakPolarHBondContact CA-OG 3.33Å; Y20-S23 PolarHBondContact O-N 3.3Å; Y20-S23 PolarHBondContact O-OG 2.84Å; Y20-A24 VanDerWaalsContact O-CB 3.32Å; Y20-A24 WeakPolarHBondContact O-CB 3.39Å; Y20-A24 PolarHBondContact O-N 2.77Å
21	Q	34	Very low	35.7	Very low	132 Å²	132	122.1 Å²	122.1	62%	0.617	64%	0.643	S	S	*	*	H	α-helix	trans	-67.3	-39.2	173.2	-71.6	-172.3	-56.9	0	0	112.3	S17 A18 A24 H25	S17-Q21 PolarHBondContact O-N 3.24Å; A18-Q21 PolarHBondContact O-N 2.83Å; Q21-A24 PolarHBondContact O-N 2.83Å; Q21-H25 PolarHBondContact O-N 3.25Å
22	L	33.2	Very low	37.1	Very low	122 Å²	122	128.3 Å²	128.3	64%	0.639	65%	0.648	S	S	*	*	H	α-helix	trans	-67.9	-35.7	175.1	-75.3	165.9	0	0	0	112.8	A18 V19 R26	A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 WeakPolarHBondContact O-CG 3.12Å; A18-L22 PolarHBondContact O-N 3.05Å; V19-L22 PolarHBondContact O-N 2.66Å; L22-R26 PolarHBondContact O-N 3.1Å
23	S	34.8	Very low	39.6	Very low	44 Å²	44	128 Å²	128	31%	0.308	64%	0.64	S	S	.	*	H	α-helix	trans	-71.7	-34.4	171.8	56.9	0	0	0	0	112.7	V19 Y20 R26 L27	V19-S23 PolarHBondContact O-N 2.97Å; V19-S23 PolarHBondContact O-OG 3.34Å; Y20-S23 WeakPolarHBondContact CA-OG 3.33Å; Y20-S23 PolarHBondContact O-N 3.3Å; Y20-S23 PolarHBondContact O-OG 2.84Å; S23-R26 PolarHBondContact O-N 2.9Å; S23-L27 WeakPolarHBondContact O-CB 3.34Å; S23-L27 WeakPolarHBondContact O-CG 3.34Å; S23-L27 PolarHBondContact O-N 3.31Å
24	A	34.3	Very low	42.4	Very low	52 Å²	52	122.3 Å²	122.3	43%	0.43	61%	0.611	S	S	.	*	H	α-helix	trans	-65.2	-41.4	174.7	0	0	0	0	0	111.7	Y20 Q21 L27 L28	Y20-A24 VanDerWaalsContact O-CB 3.32Å; Y20-A24 WeakPolarHBondContact O-CB 3.39Å; Y20-A24 PolarHBondContact O-N 2.77Å; Q21-A24 PolarHBondContact O-N 2.83Å; A24-L27 PolarHBondContact O-N 3.05Å; A24-L28 PolarHBondContact O-N 3.47Å
25	H	33.7	Very low	45.3	Very low	150 Å²	150	111.7 Å²	111.7	69%	0.694	57%	0.571	S	S	*	*	H	α-helix	trans	-68.2	-31.7	172	-91.4	-55.7	0	0	0	113.4	Q21 L28 S29	Q21-H25 PolarHBondContact O-N 3.25Å; H25-L28 CarbonylContact O-C 3.58Å; H25-L28 PolarHBondContact O-N 3.08Å; H25-S29 PolarHBondContact O-N 3.32Å
26	R	29	Very low	48.2	Very low	208 Å²	208	104.7 Å²	104.7	79%	0.785	54%	0.543	S	S	*	.	H	α-helix	trans	-74.2	-31.5	173.2	-86.3	-171.3	166.5	-160.7	-5.6	114.2	L22 S23 S29	L22-R26 PolarHBondContact O-N 3.1Å; S23-R26 PolarHBondContact O-N 2.9Å; R26-S29 WeakPolarHBondContact O-CB 3.44Å; R26-S29 PolarHBondContact O-N 3.32Å; R26-S29 VanDerWaalsContact O-N 3.11Å; R26-S29 PolarHBondContact O-OG 2.76Å; R26-S29 VanDerWaalsContact O-OG 3.06Å
27	L	30.3	Very low	51.1	Low	152 Å²	152	102.4 Å²	102.4	80%	0.796	52%	0.523	S	S	*	.	H	α-helix	trans	-77.1	-12.3	170.6	-69.7	168.7	0	0	0	112.3	S23 A24	S23-L27 WeakPolarHBondContact O-CB 3.34Å; S23-L27 WeakPolarHBondContact O-CG 3.34Å; S23-L27 PolarHBondContact O-N 3.31Å; A24-L27 PolarHBondContact O-N 3.05Å
28	L	31	Very low	53.9	Low	130 Å²	130	101.7 Å²	101.7	68%	0.681	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	34.3	161.3	-71	165.5	0	0	0	112	A24 H25 S30	A24-L28 PolarHBondContact O-N 3.47Å; H25-L28 CarbonylContact O-C 3.58Å; H25-L28 PolarHBondContact O-N 3.08Å; L28-S30 PolarHBondContact O-N 3.47Å
29	S	35.1	Very low	56.7	Low	93 Å²	93	102.9 Å²	102.9	65%	0.65	51%	0.512	S	S	*	.			trans	-68.8	70.5	146.9	68.6	0	0	0	0	108.3	H25 R26 E31	H25-S29 PolarHBondContact O-N 3.32Å; R26-S29 WeakPolarHBondContact O-CB 3.44Å; R26-S29 PolarHBondContact O-N 3.32Å; R26-S29 VanDerWaalsContact O-N 3.11Å; R26-S29 PolarHBondContact O-OG 2.76Å; R26-S29 VanDerWaalsContact O-OG 3.06Å; S29-E31 PolarHBondContact O-N 2.92Å; S29-E31 VanDerWaalsContact O-N 3.09Å
30	S	42.3	Very low	59.4	Low	96 Å²	96	100.5 Å²	100.5	67%	0.671	50%	0.498	S	S	*	.			trans	-55.7	116.9	162.5	53.7	0	0	0	0	106.7	L28 R32	L28-S30 PolarHBondContact O-N 3.47Å; S30-R32 PolarHBondContact O-N 2.91Å
31	E	54	Low	62.2	Low	171 Å²	171	94.4 Å²	94.4	80%	0.799	48%	0.48	S	S	*	.			trans	-47	128.9	169.5	-67.9	173.5	131.6	0	0	107.6	S29 K33	S29-E31 PolarHBondContact O-N 2.92Å; S29-E31 VanDerWaalsContact O-N 3.09Å; E31-K33 PolarHBondContact O-N 2.88Å
32	R	63.5	Low	65.2	Low	187 Å²	187	91 Å²	91	71%	0.706	47%	0.469	S	S	*	.			trans	-74.1	77.9	-153.8	-163.9	-174	-160.6	178.5	9.7	110.6	S30 I34	S30-R32 PolarHBondContact O-N 2.91Å; R32-I34 PolarHBondContact O-N 3.11Å
33	K	87	Confident	68.1	Low	149 Å²	149	85.9 Å²	85.9	65%	0.648	44%	0.441	S	S	*	.			trans	-48.9	124.5	-169.4	-73.9	-156.4	171.3	-163	0	111.1	E31 D501	E31-K33 PolarHBondContact O-N 2.88Å; K33-D501 WeakPolarHBondContact CA-OD2 3.34Å
34	I	92.9	Very high	70.8	Confident	32 Å²	32	91 Å²	91	16%	0.164	46%	0.46	C	S	.	.	S	Bend	trans	-78.7	-40.7	-179.6	-51.7	173	0	0	0	107.8	R32 L498 D501 L538 I540	R32-I34 PolarHBondContact O-N 3.11Å; I34-L498 HydrophobicContact CB-CD1 4.37Å; I34-L498 HydrophobicContact CD1-CD1 4.22Å; I34-L498 HydrophobicContact CG2-CD1 4.26Å; I34-D501 PolarHBondContact N-OD2 3.39Å; I34-L538 HydrophobicContact CD1-CB 3.92Å; I34-L538 HydrophobicContact CD1-CD2 4.37Å; I34-L538 HydrophobicContact CD1-CG 4.4Å; I34-L538 WeakPolarHBondContact CD1-O 3.33Å; I34-I540 HydrophobicContact CG2-CB 4.25Å; I34-I540 HydrophobicContact CG2-CD1 3.43Å; I34-I540 VanDerWaalsContact CG2-CD1 3.43Å; I34-I540 HydrophobicContact CG2-CG1 3.62Å
35	T	96.4	Very high	73.6	Confident	6 Å²	6	93.2 Å²	93.2	4%	0.037	47%	0.469	C	S	.	.			trans	-96.3	106	179.9	-53.2	0	0	0	0	111.9	V40 T497 L498 D501	T35-V40 HydrophobicContact CG2-CB 3.71Å; T35-V40 HydrophobicContact CG2-CG1 3.89Å; T35-V40 HydrophobicContact CG2-CG2 3.95Å; T35-T497 HydrophobicContact CG2-CG2 4.33Å; T35-L498 WeakPolarHBondContact OG1-CB 3.26Å; T35-L498 PolarHBondContact OG1-N 3.08Å; T35-L498 PolarHBondContact OG1-O 3.46Å; T35-D501 WeakPolarHBondContact CB-OD1 3.42Å; T35-D501 PolarHBondContact N-OD1 2.91Å; T35-D501 VanDerWaalsContact N-OD1 3.13Å; T35-D501 PolarHBondContact N-OD2 3.15Å; T35-D501 PolarHBondContact OG1-OD1 3.19Å
36	T	96.8	Very high	76.4	Confident	26 Å²	26	87.3 Å²	87.3	16%	0.16	44%	0.442	C	S	.	.			trans	-115.3	2.9	176.1	54.8	0	0	0	0	113	K215	T36-K215 WeakPolarHBondContact CB-O 3.16Å; T36-K215 PolarHBondContact OG1-O 3.34Å
37	H	97.5	Very high	79.5	Confident	8 Å²	8	82.7 Å²	82.7	4%	0.037	44%	0.439	C	S	.	.			trans	-75.1	141	-175.4	-164.9	-90.3	0	0	0	112	T39 V40 V41 P493 T497	H37-T39 PolarHBondContact ND1-N 2.92Å; H37-T39 PolarHBondContact ND1-OG1 3.2Å; H37-T39 PolarHBondContact O-N 3.3Å; H37-V40 PolarHBondContact O-N 3.23Å; H37-V41 PolarHBondContact O-N 2.67Å; H37-P493 HydrophobicContact CB-CB 4.11Å; H37-T497 HydrophobicContact CB-CG2 3.46Å; H37-T497 VanDerWaalsContact CB-CG2 3.46Å
38	Y	96.2	Very high	82.6	Confident	55 Å²	55	80.6 Å²	80.6	22%	0.216	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.5	-170.8	54.4	-93.4	0	0	0	115.4	V40 V41 R43 I213	Y38-V40 VanDerWaalsContact C-N 3.31Å; Y38-V41 WeakPolarHBondContact CA-O 3.47Å; Y38-R43 VanDerWaalsContact CB-NE 3.26Å; Y38-R43 VanDerWaalsContact CD2-NH2 3.34Å; Y38-R43 VanDerWaalsContact CG-NH2 3.31Å; Y38-I213 HydrophobicContact CD1-CD1 3.73Å; Y38-I213 HydrophobicContact CE1-CD1 3.84Å
39	T	94.9	Very high	85.7	Confident	70 Å²	70	75.1 Å²	75.1	43%	0.429	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.1	174.3	55	0	0	0	0	113.7	H37 V563	H37-T39 PolarHBondContact ND1-N 2.92Å; H37-T39 PolarHBondContact ND1-OG1 3.2Å; H37-T39 PolarHBondContact O-N 3.3Å; T39-V563 HydrophobicContact CG2-CG1 4.48Å
40	V	95.6	Very high	88.5	Confident	48 Å²	48	79 Å²	79	29%	0.291	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-31	175.7	179.3	0	0	0	0	111.2	T35 H37 Y38 P42 T497	T35-V40 HydrophobicContact CG2-CB 3.71Å; T35-V40 HydrophobicContact CG2-CG1 3.89Å; T35-V40 HydrophobicContact CG2-CG2 3.95Å; H37-V40 PolarHBondContact O-N 3.23Å; Y38-V40 VanDerWaalsContact C-N 3.31Å; V40-P42 WeakPolarHBondContact O-CD 3.26Å; V40-T497 HydrophobicContact CG2-CG2 4.46Å
41	V	95	Very high	90.9	Very high	52 Å²	52	81.7 Å²	81.7	32%	0.315	40%	0.403	S	S	.	.	S	Bend	trans	-115.1	89.8	174.1	-174.8	0	0	0	0	108.8	H37 Y38 R43	H37-V41 PolarHBondContact O-N 2.67Å; Y38-V41 WeakPolarHBondContact CA-O 3.47Å; V41-R43 PolarHBondContact O-N 2.75Å
42	P	95.2	Very high	92.9	Very high	60 Å²	60	76.3 Å²	76.3	39%	0.39	38%	0.379	S	S	.	.			trans	-60.8	133.8	-174.5	-22.1	33.5	0	0	0	111.6	V40 E44 T45	V40-P42 WeakPolarHBondContact O-CD 3.26Å; P42-E44 WeakPolarHBondContact CB-OE2 3.38Å; P42-E44 PolarHBondContact O-N 2.66Å; P42-T45 HydrophobicContact CB-CG2 4.34Å; P42-T45 WeakPolarHBondContact O-CB 3.48Å; P42-T45 PolarHBondContact O-N 2.92Å; P42-T45 PolarHBondContact O-OG1 3.39Å
43	R	93.9	Very high	94.3	Very high	15 Å²	15	72.8 Å²	72.8	6%	0.057	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-63.2	-28.8	-170.8	-56.4	-178.1	-159.9	177.6	11.4	112.2	Y38 V41 T45 D46 W49 D210	Y38-R43 VanDerWaalsContact CB-NE 3.26Å; Y38-R43 VanDerWaalsContact CD2-NH2 3.34Å; Y38-R43 VanDerWaalsContact CG-NH2 3.31Å; V41-R43 PolarHBondContact O-N 2.75Å; R43-T45 PolarHBondContact O-N 3.34Å; R43-D46 PolarHBondContact O-N 2.95Å; R43-W49 HydrophobicContact CB-CB 4.26Å; R43-W49 HydrophobicContact CB-CD2 3.85Å; R43-W49 HydrophobicContact CB-CE3 4.4Å; R43-W49 HydrophobicContact CB-CG 3.76Å; R43-W49 HydrophobicContact CG-CD2 4.1Å; R43-W49 HydrophobicContact CG-CG 4.43Å; R43-W49 HydrophobicContact CG-CZ2 4.27Å; R43-D210 IonicContact CZ-OD2 2.91Å; R43-D210 IonicContact NH1-OD2 3.7Å; R43-D210 PolarHBondContact NH1-OD2 3.4Å; R43-D210 IonicContact NH2-OD2 2.77Å; R43-D210 PolarHBondContact NH2-OD2 3Å
44	E	91.4	Very high	94.7	Very high	150 Å²	150	68.4 Å²	68.4	70%	0.701	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.6	177.1	-52.9	70.6	-151.6	0	0	112.1	P42	P42-E44 WeakPolarHBondContact CB-OE2 3.38Å; P42-E44 PolarHBondContact O-N 2.66Å
45	T	93.1	Very high	94.8	Very high	100 Å²	100	70.4 Å²	70.4	61%	0.613	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-89.1	-9.8	175	70.7	0	0	0	0	113.5	P42 R43	P42-T45 HydrophobicContact CB-CG2 4.34Å; P42-T45 WeakPolarHBondContact O-CB 3.48Å; P42-T45 PolarHBondContact O-N 2.92Å; P42-T45 PolarHBondContact O-OG1 3.39Å; R43-T45 PolarHBondContact O-N 3.34Å
46	D	92.6	Very high	94.7	Very high	25 Å²	25	71.7 Å²	71.7	13%	0.134	38%	0.378	C	S	.	.			trans	-106	114.2	-175.3	174	6.8	0	0	0	111.3	R43 R48 W49	R43-D46 PolarHBondContact O-N 2.95Å; D46-R48 VanDerWaalsContact CG-NE 3.32Å; D46-R48 PolarHBondContact O-N 2.82Å; D46-R48 VanDerWaalsContact OD1-CB 3.29Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 VanDerWaalsContact OD1-CG 3.26Å; D46-R48 WeakPolarHBondContact OD1-CG 3.4Å; D46-R48 IonicContact OD1-CZ 2.67Å; D46-R48 PolarHBondContact OD1-N 2.88Å; D46-R48 IonicContact OD1-NE 3.89Å; D46-R48 PolarHBondContact OD1-NE 2.86Å; D46-R48 IonicContact OD1-NH2 3.64Å; D46-R48 IonicContact OD2-CZ 2.89Å; D46-R48 IonicContact OD2-NE 2.83Å; D46-R48 PolarHBondContact OD2-NE 3.46Å; D46-R48 IonicContact OD2-NH2 4Å; D46-R48 PolarHBondContact OD2-NH2 3.46Å; D46-W49 PolarHBondContact O-N 3.1Å; D46-W49 VanDerWaalsContact OD2-CD1 3.28Å
47	P	95	Very high	94.6	Very high	112 Å²	112	75.6 Å²	75.6	73%	0.727	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-55.4	-21.7	179.8	-27.3	35.8	0	0	0	115.3	W49 K50	P47-W49 PolarHBondContact O-N 3.44Å; P47-K50 WeakPolarHBondContact O-CB 3.3Å; P47-K50 PolarHBondContact O-N 2.85Å
48	R	95.5	Very high	94.6	Very high	108 Å²	108	77.5 Å²	77.5	41%	0.408	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-63.6	-23.8	177.1	-60.6	175.6	-62.3	-175.8	2.3	112.6	D46 D216	D46-R48 VanDerWaalsContact CG-NE 3.32Å; D46-R48 PolarHBondContact O-N 2.82Å; D46-R48 VanDerWaalsContact OD1-CB 3.29Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 VanDerWaalsContact OD1-CG 3.26Å; D46-R48 WeakPolarHBondContact OD1-CG 3.4Å; D46-R48 IonicContact OD1-CZ 2.67Å; D46-R48 PolarHBondContact OD1-N 2.88Å; D46-R48 IonicContact OD1-NE 3.89Å; D46-R48 PolarHBondContact OD1-NE 2.86Å; D46-R48 IonicContact OD1-NH2 3.64Å; D46-R48 IonicContact OD2-CZ 2.89Å; D46-R48 IonicContact OD2-NE 2.83Å; D46-R48 PolarHBondContact OD2-NE 3.46Å; D46-R48 IonicContact OD2-NH2 4Å; D46-R48 PolarHBondContact OD2-NH2 3.46Å; R48-D216 IonicContact CZ-OD2 3.28Å; R48-D216 PolarHBondContact NH1-O 2.81Å; R48-D216 IonicContact NH1-OD1 3.01Å; R48-D216 IonicContact NH1-OD2 2.71Å; R48-D216 PolarHBondContact NH1-OD2 3.36Å; R48-D216 PolarHBondContact NH2-O 3.09Å
49	W	96.7	Very high	94.6	Very high	15 Å²	15	77.1 Å²	77.1	6%	0.057	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-92	-9.8	-179.4	-71.1	87.9	0	0	0	114.7	R43 D46 P47 N51 I52 M54 I213 G217 P219 F223	R43-W49 HydrophobicContact CB-CB 4.26Å; R43-W49 HydrophobicContact CB-CD2 3.85Å; R43-W49 HydrophobicContact CB-CE3 4.4Å; R43-W49 HydrophobicContact CB-CG 3.76Å; R43-W49 HydrophobicContact CG-CD2 4.1Å; R43-W49 HydrophobicContact CG-CG 4.43Å; R43-W49 HydrophobicContact CG-CZ2 4.27Å; D46-W49 PolarHBondContact O-N 3.1Å; D46-W49 VanDerWaalsContact OD2-CD1 3.28Å; P47-W49 PolarHBondContact O-N 3.44Å; W49-N51 PolarHBondContact O-N 3.38Å; W49-I52 HydrophobicContact CE3-CB 4.13Å; W49-I52 HydrophobicContact CE3-CG1 4.15Å; W49-I52 HydrophobicContact CE3-CG2 4.01Å; W49-I52 HydrophobicContact CZ3-CG2 4.09Å; W49-I52 WeakPolarHBondContact O-CB 3.35Å; W49-I52 PolarHBondContact O-N 3.3Å; W49-M54 HydrophobicContact CE3-SD 3.93Å; W49-M54 HydrophobicContact CZ3-SD 3.96Å; W49-I213 HydrophobicContact CH2-CD1 3.95Å; W49-I213 HydrophobicContact CH2-CG1 3.99Å; W49-I213 HydrophobicContact CZ2-CD1 4.21Å; W49-I213 HydrophobicContact CZ2-CG1 4.3Å; W49-I213 HydrophobicContact CZ2-CG2 4.11Å; W49-G217 PolarHBondContact NE1-O 2.9Å; W49-P219 HydrophobicContact CD2-CB 4.41Å; W49-P219 HydrophobicContact CD2-CG 4.27Å; W49-P219 HydrophobicContact CE3-CB 4.27Å; W49-P219 HydrophobicContact CE3-CG 4.49Å; W49-P219 HydrophobicContact CH2-CB 3.94Å; W49-P219 HydrophobicContact CZ2-CB 4.1Å; W49-P219 HydrophobicContact CZ3-CB 4.03Å; W49-F223 AromaticContact CH2-CD2 3.71Å; W49-F223 HydrophobicContact CH2-CD2 3.71Å; W49-F223 HydrophobicContact CH2-CE1 4.41Å; W49-F223 AromaticContact CH2-CE2 3.48Å; W49-F223 HydrophobicContact CH2-CE2 3.48Å; W49-F223 VanDerWaalsContact CH2-CE2 3.48Å; W49-F223 HydrophobicContact CH2-CG 4.28Å; W49-F223 AromaticContact CH2-CZ 3.87Å; W49-F223 HydrophobicContact CH2-CZ 3.87Å; W49-F223 HydrophobicContact CZ3-CD1 4.07Å; W49-F223 AromaticContact CZ3-CD2 3.97Å; W49-F223 HydrophobicContact CZ3-CD2 3.97Å; W49-F223 AromaticContact CZ3-CE1 3.72Å; W49-F223 HydrophobicContact CZ3-CE1 3.72Å; W49-F223 AromaticContact CZ3-CE2 3.63Å; W49-F223 HydrophobicContact CZ3-CE2 3.63Å; W49-F223 HydrophobicContact CZ3-CG 4.19Å; W49-F223 AromaticContact CZ3-CZ 3.5Å; W49-F223 HydrophobicContact CZ3-CZ 3.5Å; W49-F223 VanDerWaalsContact CZ3-CZ 3.5Å
50	K	93.5	Very high	94.7	Very high	175 Å²	175	78.8 Å²	78.8	76%	0.761	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.5	-166.6	-177.3	179.6	173.2	-178.7	0	115.7	P47	P47-K50 WeakPolarHBondContact O-CB 3.3Å; P47-K50 PolarHBondContact O-N 2.85Å
51	N	93.1	Very high	94.8	Very high	151 Å²	151	77 Å²	77	81%	0.807	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	12.4	-175.9	-59	-13.4	0	0	0	112.9	W49	W49-N51 PolarHBondContact O-N 3.38Å
52	I	95.3	Very high	94.8	Very high	58 Å²	58	75.9 Å²	75.9	30%	0.297	41%	0.405	S	S	.	.	S	Bend	trans	-85.3	134.5	177.5	-58.1	-61.3	0	0	0	108.7	W49 M54 P219 F223	W49-I52 HydrophobicContact CE3-CB 4.13Å; W49-I52 HydrophobicContact CE3-CG1 4.15Å; W49-I52 HydrophobicContact CE3-CG2 4.01Å; W49-I52 HydrophobicContact CZ3-CG2 4.09Å; W49-I52 WeakPolarHBondContact O-CB 3.35Å; W49-I52 PolarHBondContact O-N 3.3Å; I52-M54 PolarHBondContact O-N 3.39Å; I52-P219 HydrophobicContact CD1-CB 3.99Å; I52-P219 HydrophobicContact CD1-CG 3.85Å; I52-P219 HydrophobicContact CG1-CB 4.08Å; I52-P219 HydrophobicContact CG1-CG 3.81Å; I52-F223 HydrophobicContact CG2-CD1 3.49Å; I52-F223 VanDerWaalsContact CG2-CD1 3.49Å; I52-F223 HydrophobicContact CG2-CE1 3.58Å
53	D	93.7	Very high	94.9	Very high	113 Å²	113	73 Å²	73	60%	0.604	39%	0.386	S	S	*	.			trans	-71.4	130.3	168.5	-172.6	16.5	0	0	0	110	S55	D53-S55 VanDerWaalsContact CG-OG 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.5Å; D53-S55 PolarHBondContact OD1-N 3.14Å; D53-S55 PolarHBondContact OD1-OG 2.95Å; D53-S55 WeakPolarHBondContact OD2-CB 3.18Å; D53-S55 PolarHBondContact OD2-OG 2.88Å
54	M	94.7	Very high	95.1	Very high	58 Å²	58	72.3 Å²	72.3	29%	0.286	38%	0.383	S	S	.	.			trans	-110.9	5.6	-178.8	-70.3	-69.1	-67.9	0	0	111.9	W49 I52 F223 R225	W49-M54 HydrophobicContact CE3-SD 3.93Å; W49-M54 HydrophobicContact CZ3-SD 3.96Å; I52-M54 PolarHBondContact O-N 3.39Å; M54-F223 HydrophobicContact SD-CE1 4.32Å; M54-F223 HydrophobicContact SD-CZ 4.3Å; M54-R225 PolarHBondContact O-NE 3.19Å; M54-R225 PolarHBondContact O-NH2 2.9Å
55	S	94.6	Very high	95.4	Very high	73 Å²	73	65.2 Å²	65.2	51%	0.51	35%	0.35	S	S	.	.			trans	-55.6	146.9	169.9	78.1	0	0	0	0	111.2	D53 R225	D53-S55 VanDerWaalsContact CG-OG 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.5Å; D53-S55 PolarHBondContact OD1-N 3.14Å; D53-S55 PolarHBondContact OD1-OG 2.95Å; D53-S55 WeakPolarHBondContact OD2-CB 3.18Å; D53-S55 PolarHBondContact OD2-OG 2.88Å; S55-R225 WeakPolarHBondContact O-CB 3.45Å; S55-R225 VanDerWaalsContact O-CG 3.29Å; S55-R225 WeakPolarHBondContact O-CG 3.39Å
56	R	94.6	Very high	95.6	Very high	34 Å²	34	60.8 Å²	60.8	13%	0.128	32%	0.323	C	S	.	.			trans	-114.4	142.2	173.7	-65.8	-173	175.7	-69.3	9.6	108.4	E194 D210 R225 G226 E228	R56-E194 IonicContact CZ-OE2 2.73Å; R56-E194 IonicContact NE-OE2 3.97Å; R56-E194 IonicContact NH2-OE2 3.72Å; R56-E194 PolarHBondContact NH2-OE2 3.37Å; R56-D210 IonicContact CZ-OD1 2.75Å; R56-D210 IonicContact NH1-OD1 2.95Å; R56-D210 PolarHBondContact NH1-OD1 2.6Å; R56-D210 IonicContact NH2-OD1 3.31Å; R56-D210 PolarHBondContact NH2-OD1 2.81Å; R56-R225 HydrophobicContact CG-CB 4.3Å; R56-R225 VanDerWaalsContact CZ-CZ 3.42Å; R56-G226 WeakPolarHBondContact CD-O 3.13Å; R56-G226 WeakPolarHBondContact CG-O 3.29Å; R56-G226 VanDerWaalsContact NH1-C 3.35Å; R56-G226 VanDerWaalsContact NH1-N 3.14Å; R56-G226 PolarHBondContact NH1-O 2.69Å; R56-E228 HydrophobicContact CB-CG 3.85Å; R56-E228 HydrophobicContact CG-CG 4.26Å
57	V	95.6	Very high	95.7	Very high	108 Å²	108	59.9 Å²	59.9	66%	0.655	32%	0.319	S	S	*	.			trans	-66.3	139.4	158.4	179.4	0	0	0	0	107.4	M227 E228	V57-M227 HydrophobicContact CB-CG 4.48Å; V57-M227 HydrophobicContact CG1-CG 4.49Å; V57-M227 CarbonylContact O-C 3.53Å; V57-M227 WeakPolarHBondContact O-CA 3.29Å; V57-M227 WeakPolarHBondContact O-CG 3.38Å; V57-E228 PolarHBondContact O-N 2.94Å
58	S	96.3	Very high	95.8	Very high	47 Å²	47	54.7 Å²	54.7	33%	0.329	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.8	179.2	65.2	0	0	0	0	111.7	E228 R230	S58-E228 WeakPolarHBondContact CA-O 3.25Å; S58-R230 VanDerWaalsContact CB-NH2 3.3Å; S58-R230 PolarHBondContact OG-NH1 2.97Å; S58-R230 VanDerWaalsContact OG-NH1 3.11Å; S58-R230 PolarHBondContact OG-NH2 3.1Å
59	D	97.1	Very high	95.9	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144	176.1	-169	15.2	0	0	0	110.3	R91 M227 E228 L229 R230	D59-R91 IonicContact OD1-CZ 2.69Å; D59-R91 IonicContact OD1-NH1 3.12Å; D59-R91 PolarHBondContact OD1-NH1 3.32Å; D59-R91 IonicContact OD1-NH2 2.62Å; D59-R91 IonicContact OD2-CZ 2.77Å; D59-R91 VanDerWaalsContact OD2-CZ 3.28Å; D59-R91 IonicContact OD2-NH1 3.6Å; D59-R91 PolarHBondContact OD2-NH1 2.98Å; D59-R91 IonicContact OD2-NH2 3.7Å; D59-R91 PolarHBondContact OD2-NH2 3.32Å; D59-M227 HydrophobicContact CB-SD 4.35Å; D59-E228 PolarHBondContact N-O 2.83Å; D59-L229 HydrophobicContact CB-CD2 4.42Å; D59-R230 PolarHBondContact O-N 3.05Å
60	D	96.7	Very high	95.8	Very high	105 Å²	105	50.5 Å²	50.5	56%	0.561	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	-174.3	-69	-59.2	0	0	0	110.5	R91 R230	D60-R91 PolarHBondContact O-NH1 2.91Å; D60-R230 VanDerWaalsContact OD1-CB 3.23Å; D60-R230 WeakPolarHBondContact OD1-CB 3.23Å; D60-R230 WeakPolarHBondContact OD1-CD 3.43Å
61	V	96.5	Very high	95.9	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.1	178.3	-55.4	0	0	0	0	111	V64 R91 C93 L229 R230 A231	V61-V64 HydrophobicContact CG2-CB 4.02Å; V61-R91 HydrophobicContact CB-CB 4.42Å; V61-R91 HydrophobicContact CB-CG 4.19Å; V61-R91 HydrophobicContact CG1-CG 4.03Å; V61-C93 HydrophobicContact CG1-CB 4.13Å; V61-C93 HydrophobicContact CG2-CB 4.37Å; V61-L229 HydrophobicContact CG1-CD2 4.35Å; V61-R230 WeakPolarHBondContact CG2-O 3.23Å; V61-R230 PolarHBondContact N-O 3.42Å; V61-A231 HydrophobicContact CG2-CB 3.74Å; V61-A231 WeakPolarHBondContact O-CA 3.33Å
62	D	96.2	Very high	96	Very high	29 Å²	29	36 Å²	36	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-45	172.2	-65.5	-68.9	0	0	0	111.2	L90 R91 K232 C233	D62-L90 HydrophobicContact CB-CD1 3.45Å; D62-L90 VanDerWaalsContact CB-CD1 3.45Å; D62-L90 HydrophobicContact CB-CG 4.21Å; D62-L90 WeakPolarHBondContact OD2-CA 3.48Å; D62-R91 WeakPolarHBondContact CB-O 3.48Å; D62-R91 PolarHBondContact N-O 2.93Å; D62-R91 PolarHBondContact OD2-N 3.47Å; D62-K232 WeakPolarHBondContact O-CB 3.15Å; D62-K232 PolarHBondContact O-N 3.03Å; D62-K232 WeakPolarHBondContact OD1-CE 3.4Å; D62-K232 IonicContact OD1-NZ 2.77Å; D62-K232 PolarHBondContact OD1-NZ 3.47Å; D62-C233 PolarHBondContact O-N 3.33Å
63	V	96.5	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.8	-179.3	-172.2	0	0	0	0	110.6	I65 L79 R91 V92 C93 C233 V235 I375 L379	V63-I65 HydrophobicContact CG1-CD1 4.42Å; V63-I65 HydrophobicContact CG1-CG1 3.97Å; V63-L79 HydrophobicContact CB-CD1 4.12Å; V63-L79 HydrophobicContact CG1-CD1 3.89Å; V63-L79 HydrophobicContact CG2-CD1 4.02Å; V63-R91 PolarHBondContact N-O 3.49Å; V63-R91 VanDerWaalsContact N-O 3.14Å; V63-V92 WeakPolarHBondContact O-CA 3.05Å; V63-C93 PolarHBondContact O-N 2.97Å; V63-C233 WeakPolarHBondContact CA-O 3.33Å; V63-C233 HydrophobicContact CG2-CB 4.48Å; V63-V235 HydrophobicContact CG1-CG2 3.92Å; V63-I375 HydrophobicContact CG2-CG2 3.82Å; V63-L379 HydrophobicContact CG2-CD1 3.85Å
64	V	97.6	Very high	96.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.1	167	72	0	0	0	0	110.3	V61 C93 I206 L229 A231 C233 T234 V235	V61-V64 HydrophobicContact CG2-CB 4.02Å; V64-C93 CarbonylContact C-O 3.54Å; V64-C93 WeakPolarHBondContact CA-O 3.5Å; V64-C93 HydrophobicContact CG2-CB 4.32Å; V64-I206 HydrophobicContact CG1-CG1 4.38Å; V64-I206 HydrophobicContact CG2-CG1 4.19Å; V64-L229 HydrophobicContact CG2-CB 3.91Å; V64-L229 HydrophobicContact CG2-CD1 4.13Å; V64-A231 HydrophobicContact CB-CB 3.97Å; V64-A231 HydrophobicContact CG1-CB 3.63Å; V64-C233 PolarHBondContact N-O 2.86Å; V64-C233 VanDerWaalsContact N-O 3.14Å; V64-T234 HydrophobicContact CG1-CG2 3.91Å; V64-T234 WeakPolarHBondContact CG1-OG1 3.17Å; V64-T234 CarbonylContact O-C 3.57Å; V64-T234 WeakPolarHBondContact O-CA 3.34Å; V64-V235 PolarHBondContact O-N 2.88Å
65	I	97.8	Very high	96.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	-174.3	-54.6	179	0	0	0	108.9	V63 A75 A76 L79 V92 C93 I94 V95 V235 A237	V63-I65 HydrophobicContact CG1-CD1 4.42Å; V63-I65 HydrophobicContact CG1-CG1 3.97Å; I65-A75 HydrophobicContact CD1-CB 4.34Å; I65-A76 HydrophobicContact CD1-CB 3.71Å; I65-L79 HydrophobicContact CD1-CD1 4.41Å; I65-V92 HydrophobicContact CD1-CG1 3.79Å; I65-V92 HydrophobicContact CG1-CG1 4.46Å; I65-C93 PolarHBondContact N-O 3.27Å; I65-I94 HydrophobicContact CB-CB 4.46Å; I65-I94 HydrophobicContact CB-CG1 4.12Å; I65-I94 HydrophobicContact CB-CG2 4.36Å; I65-I94 HydrophobicContact CD1-CG1 4.38Å; I65-I94 HydrophobicContact CG2-CG2 4.38Å; I65-I94 WeakPolarHBondContact O-CA 3.47Å; I65-V95 PolarHBondContact O-N 3.37Å; I65-V235 WeakPolarHBondContact CA-O 3.33Å; I65-V235 HydrophobicContact CB-CB 4.37Å; I65-V235 HydrophobicContact CG1-CB 4.02Å; I65-V235 HydrophobicContact CG1-CG2 4.15Å; I65-V235 HydrophobicContact CG2-CB 4.2Å; I65-V235 HydrophobicContact CG2-CG1 4.44Å; I65-A237 HydrophobicContact CG2-CB 4.26Å
66	V	97.1	Very high	96.5	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.3	-177.4	-176.8	0	0	0	0	109.9	V95 A192 I206 T234 V235 F236 A237 E238 L244	V66-V95 HydrophobicContact CG2-CG2 4.38Å; V66-A192 HydrophobicContact CB-CB 4.45Å; V66-A192 HydrophobicContact CG1-CB 3.65Å; V66-A192 HydrophobicContact CG2-CB 3.96Å; V66-I206 HydrophobicContact CG2-CG1 4.25Å; V66-I206 HydrophobicContact CG2-CG2 3.88Å; V66-T234 HydrophobicContact CG2-CG2 4.44Å; V66-V235 PolarHBondContact N-O 3.16Å; V66-F236 HydrophobicContact CB-CD1 4.43Å; V66-F236 HydrophobicContact CG2-CD1 4.2Å; V66-F236 HydrophobicContact CG2-CE1 4.3Å; V66-A237 CarbonylContact O-C 3.16Å; V66-A237 WeakPolarHBondContact O-CA 3.41Å; V66-A237 WeakPolarHBondContact O-CB 3.46Å; V66-A237 PolarHBondContact O-N 2.9Å; V66-E238 HydrophobicContact CG1-CG 3.77Å; V66-E238 PolarHBondContact O-N 3.22Å; V66-E238 VanDerWaalsContact O-N 3.11Å; V66-L244 HydrophobicContact CG1-CD1 4.45Å
67	G	95.8	Very high	96.7	Very high	5 Å²	5	20.1 Å²	20.1	5%	0.052	12%	0.124	C	C	.	.			trans	107.7	119.3	175.2	0	0	0	0	0	113.3	G69 V95 E96	G67-G69 PolarHBondContact O-N 3.34Å; G67-V95 WeakPolarHBondContact CA-O 3.31Å; G67-V95 PolarHBondContact N-O 3.3Å; G67-E96 WeakPolarHBondContact CA-OE2 3.23Å
68	A	97.9	Very high	96.8	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	10%	0.099	C	C	.	.			trans	-82.8	40	176.8	0	0	0	0	0	111.9	L73 I94 E96 V101 V172 L186	A68-L73 HydrophobicContact CB-CD2 4.33Å; A68-L73 HydrophobicContact CB-CG 4.33Å; A68-L73 VanDerWaalsContact O-CD1 3.28Å; A68-L73 WeakPolarHBondContact O-CD1 3.46Å; A68-I94 HydrophobicContact CB-CG2 4.03Å; A68-E96 HydrophobicContact CB-CB 3.68Å; A68-E96 HydrophobicContact CB-CG 3.96Å; A68-E96 PolarHBondContact N-OE2 3.31Å; A68-V101 HydrophobicContact CB-CG1 4.2Å; A68-V172 VanDerWaalsContact O-CG1 3.27Å; A68-V172 WeakPolarHBondContact O-CG1 3.35Å; A68-L186 HydrophobicContact CB-CD1 4.1Å
69	G	95.9	Very high	96.9	Very high	15 Å²	15	14.2 Å²	14.2	16%	0.155	8%	0.083	C	C	.	.	S	Bend	trans	-75	172.8	170.9	0	0	0	0	0	112.1	G67 S71 G72 L73	G67-G69 PolarHBondContact O-N 3.34Å; G69-S71 PolarHBondContact O-N 2.71Å; G69-S71 VanDerWaalsContact O-N 3.1Å; G69-G72 PolarHBondContact O-N 3.2Å; G69-L73 PolarHBondContact O-N 3.21Å
70	P	96.3	Very high	97	Very high	20 Å²	20	13.3 Å²	13.3	13%	0.13	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-25.2	-177.7	25.2	-34.9	0	0	0	113.4	S74 V172 V361 M365	P70-S74 WeakPolarHBondContact O-CB 3.38Å; P70-S74 PolarHBondContact O-N 2.89Å; P70-S74 PolarHBondContact O-OG 3.18Å; P70-V172 HydrophobicContact CB-CG2 4.33Å; P70-V172 HydrophobicContact CG-CG2 4.49Å; P70-V361 HydrophobicContact CB-CG1 4.24Å; P70-V361 HydrophobicContact CG-CG1 4.35Å; P70-M365 HydrophobicContact CB-CG 4Å
71	S	94	Very high	97	Very high	23 Å²	23	10.5 Å²	10.5	16%	0.161	6%	0.061	C	C	.	.	H	α-helix	trans	-73.7	-48	171	41.6	0	0	0	0	112.9	G69 S74 A75 A364 G368	G69-S71 PolarHBondContact O-N 2.71Å; G69-S71 VanDerWaalsContact O-N 3.1Å; S71-S74 PolarHBondContact O-N 3.35Å; S71-A75 WeakPolarHBondContact O-CB 3.46Å; S71-A75 PolarHBondContact O-N 2.81Å; S71-A364 WeakPolarHBondContact CB-O 3.4Å; S71-G368 WeakPolarHBondContact O-CA 3.33Å
72	G	96.1	Very high	97	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65	-45.7	-178.5	0	0	0	0	0	112.3	G69 A75 A76	G69-G72 PolarHBondContact O-N 3.2Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.34Å; G72-A76 PolarHBondContact O-N 2.8Å
73	L	98.3	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-45.6	174.5	-68.8	168.4	0	0	0	111.8	A68 G69 A75 A76 I77 I94 V101 V172 L175 A179 L186	A68-L73 HydrophobicContact CB-CD2 4.33Å; A68-L73 HydrophobicContact CB-CG 4.33Å; A68-L73 VanDerWaalsContact O-CD1 3.28Å; A68-L73 WeakPolarHBondContact O-CD1 3.46Å; G69-L73 PolarHBondContact O-N 3.21Å; L73-A75 PolarHBondContact O-N 3.49Å; L73-A76 PolarHBondContact O-N 2.95Å; L73-I77 HydrophobicContact CB-CD1 4.47Å; L73-I77 WeakPolarHBondContact O-CB 3.39Å; L73-I77 WeakPolarHBondContact O-CD1 3.3Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.17Å; L73-I77 PolarHBondContact O-N 3.04Å; L73-I94 HydrophobicContact CD2-CD1 3.74Å; L73-V101 HydrophobicContact CD1-CG1 4.19Å; L73-V172 HydrophobicContact CD1-CG1 3.9Å; L73-V172 VanDerWaalsContact CD1-O 3.23Å; L73-V172 WeakPolarHBondContact CD1-O 3.24Å; L73-L175 HydrophobicContact CB-CB 4.02Å; L73-L175 HydrophobicContact CD1-CB 3.71Å; L73-L175 HydrophobicContact CG-CB 4.43Å; L73-A179 HydrophobicContact CD2-CB 4.09Å; L73-L186 HydrophobicContact CD2-CD2 4.45Å
74	S	97.7	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-33.6	176.3	-61.6	0	0	0	0	112.6	P70 S71 K78 M365	P70-S74 WeakPolarHBondContact O-CB 3.38Å; P70-S74 PolarHBondContact O-N 2.89Å; P70-S74 PolarHBondContact O-OG 3.18Å; S71-S74 PolarHBondContact O-N 3.35Å; S74-K78 WeakPolarHBondContact O-CB 3.48Å; S74-K78 PolarHBondContact O-N 2.96Å; S74-K78 VanDerWaalsContact O-N 3.14Å; S74-M365 WeakPolarHBondContact CB-O 3.43Å; S74-M365 WeakPolarHBondContact OG-CA 3.48Å; S74-M365 WeakPolarHBondContact OG-CB 3.29Å
75	A	95.5	Very high	97	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-49.9	173.9	0	0	0	0	0	111.5	I65 S71 G72 L73 I77 K78 L79 G368 A372	I65-A75 HydrophobicContact CD1-CB 4.34Å; S71-A75 WeakPolarHBondContact O-CB 3.46Å; S71-A75 PolarHBondContact O-N 2.81Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.34Å; L73-A75 PolarHBondContact O-N 3.49Å; A75-I77 PolarHBondContact O-N 3.39Å; A75-K78 PolarHBondContact O-N 3.43Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.35Å; A75-L79 PolarHBondContact O-N 2.93Å; A75-G368 WeakPolarHBondContact CA-O 3.4Å; A75-G368 WeakPolarHBondContact CB-O 3.45Å; A75-A372 HydrophobicContact CB-CB 4.46Å; A75-A372 WeakPolarHBondContact O-CB 3.36Å
76	A	98	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-46.7	-178.9	0	0	0	0	0	112.8	I65 G72 L73 K78 L79 K80 V92 I94 V184	I65-A76 HydrophobicContact CD1-CB 3.71Å; G72-A76 PolarHBondContact O-N 2.8Å; L73-A76 PolarHBondContact O-N 2.95Å; A76-K78 PolarHBondContact O-N 2.87Å; A76-L79 WeakPolarHBondContact O-CB 3.25Å; A76-L79 PolarHBondContact O-N 2.86Å; A76-K80 PolarHBondContact O-N 3.05Å; A76-V92 HydrophobicContact CB-CG1 4Å; A76-I94 HydrophobicContact CB-CD1 3.55Å; A76-I94 HydrophobicContact CB-CG1 4.04Å; A76-V184 HydrophobicContact CB-CG1 3.91Å; A76-V184 HydrophobicContact CB-CG2 3.81Å
77	I	98.6	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-49.6	175.2	-71.4	160.6	0	0	0	110.1	L73 A75 L79 K80 Q81 L119 F120 L175 A179 L182	L73-I77 HydrophobicContact CB-CD1 4.47Å; L73-I77 WeakPolarHBondContact O-CB 3.39Å; L73-I77 WeakPolarHBondContact O-CD1 3.3Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.17Å; L73-I77 PolarHBondContact O-N 3.04Å; A75-I77 PolarHBondContact O-N 3.39Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.14Å; I77-K80 PolarHBondContact O-N 2.94Å; I77-Q81 HydrophobicContact CG2-CG 4.37Å; I77-Q81 WeakPolarHBondContact O-CB 3.46Å; I77-Q81 VanDerWaalsContact O-CG 3.28Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å; I77-L119 HydrophobicContact CB-CD1 4.2Å; I77-L119 HydrophobicContact CD1-CD2 4.31Å; I77-L119 HydrophobicContact CG2-CD1 3.58Å; I77-L119 HydrophobicContact CG2-CD2 4.23Å; I77-L119 HydrophobicContact CG2-CG 3.89Å; I77-F120 HydrophobicContact CD1-CE2 3.9Å; I77-F120 HydrophobicContact CD1-CZ 4.04Å; I77-F120 HydrophobicContact CG1-CZ 4.35Å; I77-F120 HydrophobicContact CG2-CE1 4.3Å; I77-F120 HydrophobicContact CG2-CE2 3.84Å; I77-F120 HydrophobicContact CG2-CZ 3.48Å; I77-F120 VanDerWaalsContact CG2-CZ 3.48Å; I77-L175 HydrophobicContact CD1-CB 4.37Å; I77-L175 HydrophobicContact CD1-CD2 3.84Å; I77-L175 WeakPolarHBondContact CD1-O 3.04Å; I77-A179 HydrophobicContact CD1-CB 4.34Å; I77-A179 HydrophobicContact CG1-CB 3.88Å; I77-L182 HydrophobicContact CB-CD1 4.31Å; I77-L182 HydrophobicContact CG1-CD1 4.38Å; I77-L182 HydrophobicContact CG2-CD1 3.76Å
78	K	98	Very high	96.8	Very high	32 Å²	32	37.2 Å²	37.2	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-33.4	-178.5	-160.6	65.1	159.1	-170.8	0	112	S74 A75 A76 Q81 L82 E118 L119 M369 A372	S74-K78 WeakPolarHBondContact O-CB 3.48Å; S74-K78 PolarHBondContact O-N 2.96Å; S74-K78 VanDerWaalsContact O-N 3.14Å; A75-K78 PolarHBondContact O-N 3.43Å; A76-K78 PolarHBondContact O-N 2.87Å; K78-Q81 VanDerWaalsContact CD-OE1 3.27Å; K78-L82 HydrophobicContact CG-CD1 4.48Å; K78-L82 WeakPolarHBondContact O-CB 3.34Å; K78-L82 VanDerWaalsContact O-CG 3.24Å; K78-L82 WeakPolarHBondContact O-CG 3.28Å; K78-L82 PolarHBondContact O-N 2.9Å; K78-E118 PolarHBondContact NZ-O 2.75Å; K78-L119 HydrophobicContact CB-CD1 4.16Å; K78-L119 HydrophobicContact CD-CD1 4.08Å; K78-M369 HydrophobicContact CB-CB 4.49Å; K78-M369 HydrophobicContact CB-CG 4.38Å; K78-M369 HydrophobicContact CD-CE 4.06Å; K78-M369 HydrophobicContact CG-CB 4.16Å; K78-M369 HydrophobicContact CG-CG 4.37Å; K78-A372 HydrophobicContact CB-CB 3.72Å; K78-A372 HydrophobicContact CG-CB 4.14Å
79	L	97.6	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-49.5	171.6	-78.1	173.8	0	0	0	112	V63 I65 A75 A76 I77 L82 S83 L90 V92 A372 I375 F376	V63-L79 HydrophobicContact CB-CD1 4.12Å; V63-L79 HydrophobicContact CG1-CD1 3.89Å; V63-L79 HydrophobicContact CG2-CD1 4.02Å; I65-L79 HydrophobicContact CD1-CD1 4.41Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.35Å; A75-L79 PolarHBondContact O-N 2.93Å; A76-L79 WeakPolarHBondContact O-CB 3.25Å; A76-L79 PolarHBondContact O-N 2.86Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 2.94Å; L79-S83 WeakPolarHBondContact O-CB 3.45Å; L79-S83 PolarHBondContact O-N 3.14Å; L79-L90 HydrophobicContact CB-CD2 3.84Å; L79-L90 HydrophobicContact CD2-CD2 4.08Å; L79-L90 HydrophobicContact CG-CD2 4.39Å; L79-V92 HydrophobicContact CB-CG2 4.15Å; L79-V92 HydrophobicContact CD1-CG1 4.23Å; L79-V92 HydrophobicContact CD1-CG2 4.2Å; L79-A372 HydrophobicContact CD2-CB 4Å; L79-A372 WeakPolarHBondContact CD2-O 3.39Å; L79-A372 HydrophobicContact CG-CB 3.71Å; L79-I375 HydrophobicContact CD2-CB 4.33Å; L79-I375 HydrophobicContact CD2-CG2 4.16Å; L79-F376 HydrophobicContact CD2-CB 4.2Å
80	K	98.1	Very high	96.6	Very high	28 Å²	28	43.2 Å²	43.2	12%	0.122	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-34.6	178	-62.1	-60.8	-64.9	-149	0	112.3	A76 I77 S83 A84 L90 V92 L182 G183 V184	A76-K80 PolarHBondContact O-N 3.05Å; I77-K80 PolarHBondContact O-N 2.94Å; K80-S83 WeakPolarHBondContact O-CB 3.44Å; K80-S83 PolarHBondContact O-N 3.19Å; K80-A84 WeakPolarHBondContact O-CB 3.45Å; K80-A84 PolarHBondContact O-N 3.42Å; K80-L90 PolarHBondContact NZ-O 3.31Å; K80-V92 HydrophobicContact CD-CB 4.21Å; K80-V92 HydrophobicContact CD-CG2 3.83Å; K80-V92 HydrophobicContact CG-CG2 4.45Å; K80-L182 HydrophobicContact CB-CB 3.94Å; K80-L182 WeakPolarHBondContact CE-O 3.19Å; K80-L182 HydrophobicContact CG-CB 4.5Å; K80-G183 WeakPolarHBondContact CE-O 3.12Å; K80-G183 PolarHBondContact NZ-O 2.99Å; K80-V184 HydrophobicContact CD-CG2 4.43Å; K80-V184 HydrophobicContact CG-CG2 3.53Å
81	Q	97.8	Very high	96.6	Very high	45 Å²	45	45.5 Å²	45.5	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-47.8	169.8	-75.1	176.7	-4.7	0	0	111.9	I77 K78 A84 V85 L119 L182	I77-Q81 HydrophobicContact CG2-CG 4.37Å; I77-Q81 WeakPolarHBondContact O-CB 3.46Å; I77-Q81 VanDerWaalsContact O-CG 3.28Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å; K78-Q81 VanDerWaalsContact CD-OE1 3.27Å; Q81-A84 PolarHBondContact O-N 2.97Å; Q81-V85 WeakPolarHBondContact O-CG2 3.41Å; Q81-V85 PolarHBondContact O-N 3.05Å; Q81-L119 PolarHBondContact NE2-O 2.74Å; Q81-L182 HydrophobicContact CG-CD1 4.22Å
82	L	97.3	Very high	96.8	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-40.3	177.5	-72.5	168.5	0	0	0	112.1	K78 L79 V85 N86 E373 F376	K78-L82 HydrophobicContact CG-CD1 4.48Å; K78-L82 WeakPolarHBondContact O-CB 3.34Å; K78-L82 VanDerWaalsContact O-CG 3.24Å; K78-L82 WeakPolarHBondContact O-CG 3.28Å; K78-L82 PolarHBondContact O-N 2.9Å; L79-L82 PolarHBondContact O-N 2.94Å; L82-V85 PolarHBondContact O-N 3.44Å; L82-N86 WeakPolarHBondContact O-CB 3.17Å; L82-N86 PolarHBondContact O-N 2.83Å; L82-N86 PolarHBondContact O-ND2 2.91Å; L82-E373 HydrophobicContact CD1-CG 4.45Å; L82-F376 HydrophobicContact CB-CB 4.45Å; L82-F376 HydrophobicContact CB-CD1 4.1Å; L82-F376 HydrophobicContact CB-CD2 3.7Å; L82-F376 HydrophobicContact CB-CE1 4.3Å; L82-F376 HydrophobicContact CB-CE2 3.93Å; L82-F376 HydrophobicContact CB-CG 3.8Å; L82-F376 HydrophobicContact CB-CZ 4.23Å; L82-F376 HydrophobicContact CD1-CB 3.85Å; L82-F376 HydrophobicContact CD1-CG 4.09Å
83	S	97	Very high	96.9	Very high	11 Å²	11	44.5 Å²	44.5	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-51.3	172.3	151.9	0	0	0	0	111.8	L79 K80 N86 K87 K88	L79-S83 WeakPolarHBondContact O-CB 3.45Å; L79-S83 PolarHBondContact O-N 3.14Å; K80-S83 WeakPolarHBondContact O-CB 3.44Å; K80-S83 PolarHBondContact O-N 3.19Å; S83-N86 PolarHBondContact O-N 3.16Å; S83-K87 WeakPolarHBondContact O-CA 3.17Å; S83-K87 PolarHBondContact O-N 2.68Å; S83-K88 CarbonylContact C-O 3.59Å; S83-K88 WeakPolarHBondContact CA-O 3.21Å; S83-K88 VanDerWaalsContact CB-O 3.25Å; S83-K88 WeakPolarHBondContact CB-O 3.28Å; S83-K88 PolarHBondContact O-N 3.1Å; S83-K88 PolarHBondContact OG-O 3.48Å
84	A	96.4	Very high	97	Very high	70 Å²	70	44.5 Å²	44.5	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-62.5	-47.1	178.6	0	0	0	0	0	112.6	K80 Q81 N86 K87	K80-A84 WeakPolarHBondContact O-CB 3.45Å; K80-A84 PolarHBondContact O-N 3.42Å; Q81-A84 PolarHBondContact O-N 2.97Å; A84-N86 PolarHBondContact O-N 2.69Å; A84-K87 PolarHBondContact O-N 3.2Å
85	V	96.5	Very high	97	Very high	116 Å²	116	44.6 Å²	44.6	70%	0.703	23%	0.23	S	C	*	.	H	α-helix	trans	-62.9	-42.1	179.9	168.9	0	0	0	0	112	Q81 L82	Q81-V85 WeakPolarHBondContact O-CG2 3.41Å; Q81-V85 PolarHBondContact O-N 3.05Å; L82-V85 PolarHBondContact O-N 3.44Å
86	N	96.6	Very high	97.1	Very high	85 Å²	85	45.6 Å²	45.6	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-89.3	0.4	-178.3	-67.2	-83.2	0	0	0	113.6	L82 S83 A84 K88 F376	L82-N86 WeakPolarHBondContact O-CB 3.17Å; L82-N86 PolarHBondContact O-N 2.83Å; L82-N86 PolarHBondContact O-ND2 2.91Å; S83-N86 PolarHBondContact O-N 3.16Å; A84-N86 PolarHBondContact O-N 2.69Å; N86-K88 HydrophobicContact CB-CG 4.16Å; N86-K88 PolarHBondContact O-N 3.11Å; N86-F376 HydrophobicContact CB-CE1 3.99Å; N86-F376 HydrophobicContact CB-CZ 3.83Å
87	K	95.7	Very high	97.1	Very high	194 Å²	194	47.3 Å²	47.3	84%	0.843	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.6	-175.7	-57.8	177.1	-178.3	177.9	0	112.6	S83 A84	S83-K87 WeakPolarHBondContact O-CA 3.17Å; S83-K87 PolarHBondContact O-N 2.68Å; A84-K87 PolarHBondContact O-N 3.2Å
88	K	94.1	Very high	97	Very high	97 Å²	97	47.4 Å²	47.4	42%	0.422	24%	0.242	S	C	.	.			trans	-106.5	128.3	172.8	-65	-62.4	-170.3	172.8	0	108.3	S83 N86 F376 F380	S83-K88 CarbonylContact C-O 3.59Å; S83-K88 WeakPolarHBondContact CA-O 3.21Å; S83-K88 VanDerWaalsContact CB-O 3.25Å; S83-K88 WeakPolarHBondContact CB-O 3.28Å; S83-K88 PolarHBondContact O-N 3.1Å; S83-K88 PolarHBondContact OG-O 3.48Å; N86-K88 HydrophobicContact CB-CG 4.16Å; N86-K88 PolarHBondContact O-N 3.11Å; K88-F376 HydrophobicContact CB-CE2 4.4Å; K88-F376 HydrophobicContact CB-CZ 4.03Å; K88-F376 HydrophobicContact CG-CZ 3.99Å; K88-F380 HydrophobicContact CB-CD2 4.45Å; K88-F380 HydrophobicContact CB-CE1 4.04Å; K88-F380 HydrophobicContact CB-CE2 3.9Å; K88-F380 HydrophobicContact CB-CZ 3.67Å; K88-F380 HydrophobicContact CD-CD1 3.93Å; K88-F380 HydrophobicContact CD-CE1 3.92Å; K88-F380 HydrophobicContact CD-CG 4.42Å; K88-F380 HydrophobicContact CD-CZ 4.42Å; K88-F380 HydrophobicContact CG-CD1 4.13Å; K88-F380 HydrophobicContact CG-CD2 4.22Å; K88-F380 HydrophobicContact CG-CE1 4.06Å; K88-F380 HydrophobicContact CG-CE2 4.16Å; K88-F380 HydrophobicContact CG-CG 4.22Å; K88-F380 HydrophobicContact CG-CZ 4.08Å
89	D	93.4	Very high	96.9	Very high	144 Å²	144	49 Å²	49	77%	0.77	26%	0.258	S	S	*	.			trans	-67.9	148.2	166.7	-161.4	5.3	0	0	0	109.8
90	L	95.1	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.			trans	-160.5	114.1	-177.2	-170.6	76.7	0	0	0	110.2	D62 L79 K80 V92 F376 L379 F380	D62-L90 HydrophobicContact CB-CD1 3.45Å; D62-L90 VanDerWaalsContact CB-CD1 3.45Å; D62-L90 HydrophobicContact CB-CG 4.21Å; D62-L90 WeakPolarHBondContact OD2-CA 3.48Å; L79-L90 HydrophobicContact CB-CD2 3.84Å; L79-L90 HydrophobicContact CD2-CD2 4.08Å; L79-L90 HydrophobicContact CG-CD2 4.39Å; K80-L90 PolarHBondContact NZ-O 3.31Å; L90-V92 HydrophobicContact CD2-CG2 3.59Å; L90-V92 HydrophobicContact CG-CG2 3.78Å; L90-F376 HydrophobicContact CD2-CD2 4.39Å; L90-L379 HydrophobicContact CD1-CD1 3.77Å; L90-F380 HydrophobicContact CD1-CE2 4.17Å; L90-F380 HydrophobicContact CD1-CZ 4.2Å
91	R	97.8	Very high	96.9	Very high	69 Å²	69	52.7 Å²	52.7	26%	0.26	27%	0.273	S	S	.	.			trans	-85.8	112.6	175.3	-165.2	172.5	177.7	-144.9	-4.8	110.2	D59 D60 V61 D62 V63 E185	D59-R91 IonicContact OD1-CZ 2.69Å; D59-R91 IonicContact OD1-NH1 3.12Å; D59-R91 PolarHBondContact OD1-NH1 3.32Å; D59-R91 IonicContact OD1-NH2 2.62Å; D59-R91 IonicContact OD2-CZ 2.77Å; D59-R91 VanDerWaalsContact OD2-CZ 3.28Å; D59-R91 IonicContact OD2-NH1 3.6Å; D59-R91 PolarHBondContact OD2-NH1 2.98Å; D59-R91 IonicContact OD2-NH2 3.7Å; D59-R91 PolarHBondContact OD2-NH2 3.32Å; D60-R91 PolarHBondContact O-NH1 2.91Å; V61-R91 HydrophobicContact CB-CB 4.42Å; V61-R91 HydrophobicContact CB-CG 4.19Å; V61-R91 HydrophobicContact CG1-CG 4.03Å; D62-R91 WeakPolarHBondContact CB-O 3.48Å; D62-R91 PolarHBondContact N-O 2.93Å; D62-R91 PolarHBondContact OD2-N 3.47Å; V63-R91 PolarHBondContact N-O 3.49Å; V63-R91 VanDerWaalsContact N-O 3.14Å; R91-E185 WeakPolarHBondContact CG-OE1 3.43Å; R91-E185 IonicContact CZ-OE1 2.63Å; R91-E185 IonicContact CZ-OE2 3.63Å; R91-E185 IonicContact NE-OE1 2.57Å; R91-E185 PolarHBondContact NE-OE1 2.99Å; R91-E185 IonicContact NE-OE2 2.72Å; R91-E185 PolarHBondContact NE-OE2 2.99Å; R91-E185 VanDerWaalsContact NE-OE2 3.12Å; R91-E185 IonicContact NH2-OE1 3.86Å; R91-E185 IonicContact NH2-OE2 3.29Å; R91-E185 PolarHBondContact NH2-OE2 3.02Å
92	V	98.2	Very high	96.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.3	-176.7	-175.3	0	0	0	0	109.2	V63 I65 A76 L79 K80 L90 V184 E185	V63-V92 WeakPolarHBondContact O-CA 3.05Å; I65-V92 HydrophobicContact CD1-CG1 3.79Å; I65-V92 HydrophobicContact CG1-CG1 4.46Å; A76-V92 HydrophobicContact CB-CG1 4Å; L79-V92 HydrophobicContact CB-CG2 4.15Å; L79-V92 HydrophobicContact CD1-CG1 4.23Å; L79-V92 HydrophobicContact CD1-CG2 4.2Å; K80-V92 HydrophobicContact CD-CB 4.21Å; K80-V92 HydrophobicContact CD-CG2 3.83Å; K80-V92 HydrophobicContact CG-CG2 4.45Å; L90-V92 HydrophobicContact CD2-CG2 3.59Å; L90-V92 HydrophobicContact CG-CG2 3.78Å; V92-V184 HydrophobicContact CG1-CG1 4.36Å; V92-E185 PolarHBondContact O-N 2.94Å
93	C	98.3	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.4	178.9	171.8	0	0	0	0	110.3	V61 V63 V64 I65 E185 Y187	V61-C93 HydrophobicContact CG1-CB 4.13Å; V61-C93 HydrophobicContact CG2-CB 4.37Å; V63-C93 PolarHBondContact O-N 2.97Å; V64-C93 CarbonylContact C-O 3.54Å; V64-C93 WeakPolarHBondContact CA-O 3.5Å; V64-C93 HydrophobicContact CG2-CB 4.32Å; I65-C93 PolarHBondContact N-O 3.27Å; C93-E185 CarbonylContact C-O 3.53Å; C93-E185 WeakPolarHBondContact CA-O 3.31Å; C93-Y187 VanDerWaalsContact SG-CD2 3.52Å
94	I	98.6	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	167.4	-46.5	-177.7	0	0	0	109.3	I65 A68 L73 A76 V184 E185 L186 Y187	I65-I94 HydrophobicContact CB-CB 4.46Å; I65-I94 HydrophobicContact CB-CG1 4.12Å; I65-I94 HydrophobicContact CB-CG2 4.36Å; I65-I94 HydrophobicContact CD1-CG1 4.38Å; I65-I94 HydrophobicContact CG2-CG2 4.38Å; I65-I94 WeakPolarHBondContact O-CA 3.47Å; A68-I94 HydrophobicContact CB-CG2 4.03Å; L73-I94 HydrophobicContact CD2-CD1 3.74Å; A76-I94 HydrophobicContact CB-CD1 3.55Å; A76-I94 HydrophobicContact CB-CG1 4.04Å; I94-V184 HydrophobicContact CD1-CG1 3.84Å; I94-V184 HydrophobicContact CG1-CG1 3.68Å; I94-E185 PolarHBondContact N-O 2.91Å; I94-L186 HydrophobicContact CB-CD1 3.78Å; I94-L186 HydrophobicContact CD1-CD1 4.22Å; I94-L186 HydrophobicContact CG1-CD1 4.45Å; I94-L186 HydrophobicContact CG2-CD1 4.09Å; I94-Y187 PolarHBondContact O-N 2.88Å
95	V	98.3	Very high	96.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.2	168.8	-68.2	0	0	0	0	110.6	I65 V66 G67 A192 I206 L229	I65-V95 PolarHBondContact O-N 3.37Å; V66-V95 HydrophobicContact CG2-CG2 4.38Å; G67-V95 WeakPolarHBondContact CA-O 3.31Å; G67-V95 PolarHBondContact N-O 3.3Å; V95-A192 HydrophobicContact CG2-CB 3.98Å; V95-I206 HydrophobicContact CG2-CD1 4.13Å; V95-L229 HydrophobicContact CG1-CD1 3.44Å; V95-L229 VanDerWaalsContact CG1-CD1 3.44Å
96	E	97.9	Very high	96.8	Very high	21 Å²	21	44.4 Å²	44.4	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.9	177.6	172.3	50.7	-124.4	0	0	111.5	G67 A68 A98 H104 Y187 P188 G189 Y190	G67-E96 WeakPolarHBondContact CA-OE2 3.23Å; A68-E96 HydrophobicContact CB-CB 3.68Å; A68-E96 HydrophobicContact CB-CG 3.96Å; A68-E96 PolarHBondContact N-OE2 3.31Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 HydrophobicContact CG-CB 3.85Å; E96-A98 PolarHBondContact O-N 2.96Å; E96-A98 PolarHBondContact OE1-N 3.33Å; E96-H104 IonicContact OE1-ND1 3.94Å; E96-H104 PolarHBondContact OE1-ND1 3.21Å; E96-Y187 PolarHBondContact N-O 3.04Å; E96-P188 CarbonylContact O-C 3.33Å; E96-G189 PolarHBondContact O-N 3.35Å; E96-Y190 CarbonylContact C-O 3.57Å; E96-Y190 PolarHBondContact N-O 2.87Å; E96-Y190 CarbonylContact O-C 3.52Å; E96-Y190 PolarHBondContact O-N 2.7Å
97	K	97.2	Very high	96.5	Very high	37 Å²	37	40.4 Å²	40.4	16%	0.161	20%	0.195	C	C	.	.	S	Bend	trans	-63.9	-34.6	179.6	-49.8	-174.9	-60.9	87.4	0	113	H104 A191 H547 W562 T564 G568	K97-H104 PolarHBondContact NZ-CE1 2.69Å; K97-H104 VanDerWaalsContact NZ-CE1 3.27Å; K97-H104 PolarHBondContact NZ-ND1 2.95Å; K97-A191 HydrophobicContact CB-CB 4.21Å; K97-A191 HydrophobicContact CD-CB 4.46Å; K97-A191 HydrophobicContact CG-CB 3.8Å; K97-H547 PolarHBondContact NZ-CE1 2.86Å; K97-H547 PolarHBondContact NZ-ND1 2.77Å; K97-H547 VanDerWaalsContact NZ-ND1 3.12Å; K97-W562 HydrophobicContact CD-CH2 4.12Å; K97-T564 HydrophobicContact CD-CG2 3.71Å; K97-T564 HydrophobicContact CG-CG2 4.42Å; K97-G568 VanDerWaalsContact O-CA 3.29Å; K97-G568 WeakPolarHBondContact O-CA 3.24Å; K97-G568 PolarHBondContact O-N 2.72Å
98	A	97.1	Very high	96.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-65.9	138.6	-178.4	0	0	0	0	0	110.2	E96 Y100 H104 P188 G189	E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 HydrophobicContact CG-CB 3.85Å; E96-A98 PolarHBondContact O-N 2.96Å; E96-A98 PolarHBondContact OE1-N 3.33Å; A98-Y100 WeakPolarHBondContact CB-O 3.39Å; A98-Y100 PolarHBondContact O-N 3.4Å; A98-Y100 VanDerWaalsContact O-N 3.09Å; A98-H104 WeakPolarHBondContact CA-CE1 3.42Å; A98-H104 VanDerWaalsContact CA-ND1 3.29Å; A98-H104 WeakPolarHBondContact CA-ND1 3.37Å; A98-H104 HydrophobicContact CB-CB 4.05Å; A98-H104 VanDerWaalsContact CB-ND1 3.34Å; A98-H104 WeakPolarHBondContact CB-ND1 3.39Å; A98-H104 PolarHBondContact N-CE1 2.97Å; A98-H104 VanDerWaalsContact N-CE1 3.32Å; A98-H104 PolarHBondContact N-ND1 2.66Å; A98-P188 CarbonylContact O-C 3.43Å; A98-P188 WeakPolarHBondContact O-CA 3.32Å; A98-P188 WeakPolarHBondContact O-CB 3.18Å; A98-G189 PolarHBondContact O-N 2.7Å
99	S	95.6	Very high	95.7	Very high	66 Å²	66	26.8 Å²	26.8	46%	0.462	14%	0.137	S	C	.	.	S	Bend	trans	-59.1	-19.2	176.4	51	0	0	0	0	114
100	Y	97	Very high	95.5	Very high	89 Å²	89	20.1 Å²	20.1	35%	0.349	10%	0.101	S	C	.	.	S	Bend	trans	-145.5	155.3	168	58.9	-87.9	0	0	0	110.8	A98 G102 G103 A572 Y573	A98-Y100 WeakPolarHBondContact CB-O 3.39Å; A98-Y100 PolarHBondContact O-N 3.4Å; A98-Y100 VanDerWaalsContact O-N 3.09Å; Y100-G102 PolarHBondContact O-N 3.03Å; Y100-G103 VanDerWaalsContact CE2-CA 3.43Å; Y100-G103 PolarHBondContact O-N 3.43Å; Y100-A572 PolarHBondContact OH-O 3.47Å; Y100-Y573 VanDerWaalsContact OH-C 3.31Å; Y100-Y573 PolarHBondContact OH-N 3.25Å; Y100-Y573 PolarHBondContact OH-O 3.24Å; Y100-Y573 VanDerWaalsContact OH-O 3.1Å
101	V	98	Very high	95.3	Very high	17 Å²	17	20.2 Å²	20.2	10%	0.103	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	123.3	179.5	-175.4	0	0	0	0	109.9	A68 L73 V172 L186 P188	A68-V101 HydrophobicContact CB-CG1 4.2Å; L73-V101 HydrophobicContact CD1-CG1 4.19Å; V101-V172 HydrophobicContact CG1-CG1 4.03Å; V101-L186 HydrophobicContact CG2-CD1 4.14Å; V101-L186 HydrophobicContact CG2-CD2 3.65Å; V101-L186 HydrophobicContact CG2-CG 3.91Å; V101-P188 HydrophobicContact CG2-CB 4.46Å
102	G	96.7	Very high	95	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-20.8	-175.3	0	0	0	0	0	115.1	Y100 H104 T105	Y100-G102 PolarHBondContact O-N 3.03Å; G102-H104 PolarHBondContact O-N 2.92Å; G102-H104 VanDerWaalsContact O-N 3.09Å; G102-T105 WeakPolarHBondContact O-CB 3.42Å; G102-T105 PolarHBondContact O-N 3.21Å; G102-T105 PolarHBondContact O-OG1 3.18Å
103	G	97.1	Very high	94.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.5	-173.5	0	0	0	0	0	116	Y100 Y573	Y100-G103 VanDerWaalsContact CE2-CA 3.43Å; Y100-G103 PolarHBondContact O-N 3.43Å; G103-Y573 VanDerWaalsContact O-CB 3.32Å; G103-Y573 WeakPolarHBondContact O-CB 3.3Å; G103-Y573 VanDerWaalsContact O-CD2 3.28Å; G103-Y573 WeakPolarHBondContact O-CD2 3.43Å; G103-Y573 PolarHBondContact O-N 2.87Å
104	H	97.4	Very high	94.5	Very high	36 Å²	36	26 Å²	26	17%	0.167	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	2.2	171.7	-75.6	146.2	0	0	0	114.5	E96 K97 A98 G102 L106 H547 G569	E96-H104 IonicContact OE1-ND1 3.94Å; E96-H104 PolarHBondContact OE1-ND1 3.21Å; K97-H104 PolarHBondContact NZ-CE1 2.69Å; K97-H104 VanDerWaalsContact NZ-CE1 3.27Å; K97-H104 PolarHBondContact NZ-ND1 2.95Å; A98-H104 WeakPolarHBondContact CA-CE1 3.42Å; A98-H104 VanDerWaalsContact CA-ND1 3.29Å; A98-H104 WeakPolarHBondContact CA-ND1 3.37Å; A98-H104 HydrophobicContact CB-CB 4.05Å; A98-H104 VanDerWaalsContact CB-ND1 3.34Å; A98-H104 WeakPolarHBondContact CB-ND1 3.39Å; A98-H104 PolarHBondContact N-CE1 2.97Å; A98-H104 VanDerWaalsContact N-CE1 3.32Å; A98-H104 PolarHBondContact N-ND1 2.66Å; G102-H104 PolarHBondContact O-N 2.92Å; G102-H104 VanDerWaalsContact O-N 3.09Å; H104-L106 PolarHBondContact O-N 3Å; H104-H547 AromaticContact CD2-CE1 2.76Å; H104-H547 PolarHBondContact CD2-CE1 3.23Å; H104-H547 AromaticContact CD2-ND1 3.76Å; H104-H547 AromaticContact CE1-CE1 2.79Å; H104-H547 PolarHBondContact CE1-CE1 2.98Å; H104-H547 AromaticContact CE1-ND1 3.55Å; H104-H547 AromaticContact CE1-NE2 3.66Å; H104-H547 AromaticContact CG-CE1 3.5Å; H104-H547 AromaticContact ND1-CE1 3.5Å; H104-H547 PolarHBondContact ND1-CE1 3.3Å; H104-H547 AromaticContact NE2-CE1 2.11Å; H104-H547 PolarHBondContact NE2-CE1 3.03Å; H104-H547 AromaticContact NE2-ND1 3.06Å; H104-H547 PolarHBondContact NE2-ND1 3.37Å; H104-H547 AromaticContact NE2-NE2 3.52Å; H104-G569 PolarHBondContact CE1-O 3.34Å; H104-G569 VanDerWaalsContact CE1-O 3.31Å; H104-G569 PolarHBondContact NE2-O 3.42Å
105	T	97.1	Very high	94.2	Very high	20 Å²	20	26 Å²	26	12%	0.123	13%	0.134	C	C	.	.			trans	-78.4	115.8	-178.3	-63.6	0	0	0	0	110.1	G102 L168 V172 M576	G102-T105 WeakPolarHBondContact O-CB 3.42Å; G102-T105 PolarHBondContact O-N 3.21Å; G102-T105 PolarHBondContact O-OG1 3.18Å; T105-L168 HydrophobicContact CG2-CB 3.77Å; T105-L168 HydrophobicContact CG2-CD2 3.75Å; T105-L168 HydrophobicContact CG2-CG 3.65Å; T105-V172 HydrophobicContact CG2-CG2 4.16Å; T105-M576 CarbonylContact O-C 3.19Å; T105-M576 WeakPolarHBondContact O-CB 3.46Å
106	L	94.7	Very high	94.1	Very high	48 Å²	48	26 Å²	26	25%	0.251	13%	0.134	S	C	.	.			trans	-125	117.6	168.8	-172.4	155.5	0	0	0	109.1	H104 K268 Y573 M576	H104-L106 PolarHBondContact O-N 3Å; L106-K268 HydrophobicContact CD1-CB 4.1Å; L106-K268 HydrophobicContact CD2-CB 3.9Å; L106-K268 HydrophobicContact CG-CB 4.05Å; L106-K268 HydrophobicContact CG-CD 4.38Å; L106-Y573 HydrophobicContact CB-CD2 4.26Å; L106-Y573 HydrophobicContact CB-CE2 3.88Å; L106-Y573 HydrophobicContact CD1-CE1 4.23Å; L106-Y573 HydrophobicContact CD1-CE2 4.01Å; L106-M576 WeakPolarHBondContact CA-OXT 3.22Å
107	S	92	Very high	94	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	15%	0.145	C	C	.	.			trans	-152.1	152	179.5	-174.4	0	0	0	0	111.5	A109 K268 C348 M576	S107-A109 PolarHBondContact OG-N 3Å; S107-K268 PolarHBondContact O-NZ 3.37Å; S107-C348 PolarHBondContact OG-SG 3.27Å; S107-M576 PolarHBondContact N-OXT 2.98Å
108	G	85.6	Confident	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.			trans	-76.2	-35.4	168.2	0	0	0	0	0	114.5	F300 Y302	G108-F300 VanDerWaalsContact CA-CE1 3.49Å; G108-F300 WeakPolarHBondContact O-CZ 3.45Å; G108-Y302 VanDerWaalsContact O-CD2 3.26Å; G108-Y302 WeakPolarHBondContact O-CD2 3.47Å; G108-Y302 WeakPolarHBondContact O-CE2 3.16Å
109	A	86.3	Confident	93.9	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	15%	0.152	C	C	.	.			trans	52.8	58.6	167.7	0	0	0	0	0	117.6	S107 I111 V166 L168	S107-A109 PolarHBondContact OG-N 3Å; A109-I111 HydrophobicContact CB-CG2 4.44Å; A109-V166 HydrophobicContact CB-CG2 3.65Å; A109-V166 WeakPolarHBondContact CB-O 3.49Å; A109-V166 PolarHBondContact O-N 3.42Å; A109-L168 HydrophobicContact CB-CB 3.79Å
110	L	88.5	Confident	94	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.7	140.2	-90.2	176.1	0	0	0	108.6	V134 N160 Y164 I165 V283 Y302	L110-V134 HydrophobicContact CD2-CG2 3.31Å; L110-N160 HydrophobicContact CD1-CB 4.4Å; L110-N160 VanDerWaalsContact CD1-OD1 3.25Å; L110-N160 WeakPolarHBondContact CD1-OD1 3.36Å; L110-Y164 WeakPolarHBondContact CA-O 3.34Å; L110-Y164 WeakPolarHBondContact CD2-O 3.35Å; L110-I165 HydrophobicContact CD2-CB 4.34Å; L110-I165 HydrophobicContact CD2-CG1 3.46Å; L110-I165 VanDerWaalsContact CD2-CG1 3.46Å; L110-I165 HydrophobicContact CG-CG1 4.28Å; L110-V283 HydrophobicContact CD1-CB 4.36Å; L110-V283 HydrophobicContact CD1-CG1 3.72Å; L110-V283 HydrophobicContact CD1-CG2 3.66Å; L110-V283 HydrophobicContact CD2-CG2 4.1Å; L110-V283 HydrophobicContact CG-CG2 4.36Å; L110-Y302 HydrophobicContact CB-CD2 4.44Å; L110-Y302 HydrophobicContact CB-CE2 3.67Å; L110-Y302 HydrophobicContact CD1-CD1 3.83Å; L110-Y302 HydrophobicContact CD1-CD2 4.35Å; L110-Y302 HydrophobicContact CD1-CE1 3.21Å; L110-Y302 HydrophobicContact CD1-CE2 3.79Å; L110-Y302 HydrophobicContact CD1-CG 4.42Å; L110-Y302 WeakPolarHBondContact CD1-OH 3.25Å; L110-Y302 HydrophobicContact CG-CD1 4.09Å; L110-Y302 HydrophobicContact CG-CD2 3.76Å; L110-Y302 HydrophobicContact CG-CE1 3.73Å; L110-Y302 HydrophobicContact CG-CE2 3.34Å; L110-Y302 HydrophobicContact CG-CG 4.17Å
111	I	91.9	Very high	94	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.2	-179.3	70.4	171.2	0	0	0	111.2	A109 V130 S163 Y164 V166 L171 V361	A109-I111 HydrophobicContact CB-CG2 4.44Å; I111-V130 HydrophobicContact CD1-CG1 4.01Å; I111-V130 HydrophobicContact CD1-CG2 4.43Å; I111-S163 CarbonylContact O-C 3.34Å; I111-S163 WeakPolarHBondContact O-CA 3.38Å; I111-S163 VanDerWaalsContact O-CB 3.3Å; I111-S163 WeakPolarHBondContact O-CB 3.05Å; I111-Y164 PolarHBondContact N-O 3.44Å; I111-Y164 PolarHBondContact O-N 3.48Å; I111-V166 HydrophobicContact CD1-CG1 3.83Å; I111-V166 HydrophobicContact CD1-CG2 4.11Å; I111-V166 HydrophobicContact CG1-CG1 4.11Å; I111-V166 HydrophobicContact CG1-CG2 4.38Å; I111-V166 HydrophobicContact CG2-CG2 4.07Å; I111-L171 HydrophobicContact CD1-CD2 3.75Å; I111-V361 HydrophobicContact CG2-CB 3.8Å; I111-V361 HydrophobicContact CG2-CG1 3.99Å; I111-V361 HydrophobicContact CG2-CG2 4.01Å
112	K	91.3	Very high	93.9	Very high	80 Å²	80	31.4 Å²	31.4	35%	0.348	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.6	159.1	-67.6	-178.5	-178.4	172	0	107	L114 H362	K112-L114 VanDerWaalsContact C-N 3.28Å; K112-L114 PolarHBondContact O-N 3.42Å; K112-H362 WeakPolarHBondContact O-CB 3.34Å
113	T	93.6	Very high	93.9	Very high	20 Å²	20	31.6 Å²	31.6	12%	0.123	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.1	-174.3	54.1	0	0	0	0	113.7	A115 L116 D117 W123 V130 Y164	T113-A115 VanDerWaalsContact C-N 3.25Å; T113-A115 PolarHBondContact O-N 3.32Å; T113-L116 CarbonylContact O-C 3.54Å; T113-L116 VanDerWaalsContact O-CA 3.31Å; T113-L116 WeakPolarHBondContact O-CA 3.35Å; T113-L116 VanDerWaalsContact O-CB 3.32Å; T113-L116 WeakPolarHBondContact O-CB 3.1Å; T113-L116 PolarHBondContact O-N 2.64Å; T113-D117 WeakPolarHBondContact CB-OD1 3.44Å; T113-D117 WeakPolarHBondContact CB-OD2 3.35Å; T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.32Å; T113-D117 PolarHBondContact OG1-OD1 2.92Å; T113-D117 PolarHBondContact OG1-OD2 2.69Å; T113-W123 HydrophobicContact CG2-CH2 4.36Å; T113-W123 HydrophobicContact CG2-CZ2 3.73Å; T113-V130 HydrophobicContact CG2-CG1 4.3Å; T113-Y164 HydrophobicContact CG2-CD2 3.53Å; T113-Y164 HydrophobicContact CG2-CE2 3.75Å; T113-Y164 HydrophobicContact CG2-CG 4.38Å
114	L	92.9	Very high	93.8	Very high	91 Å²	91	38.4 Å²	38.4	48%	0.476	20%	0.197	S	C	.	.	H	α-helix	trans	-43.9	-40	-169.7	-174.2	66.3	0	0	0	116.1	K112 D117 E118 Y402	K112-L114 VanDerWaalsContact C-N 3.28Å; K112-L114 PolarHBondContact O-N 3.42Å; L114-D117 WeakPolarHBondContact CA-OD2 3.19Å; L114-D117 PolarHBondContact N-OD2 3.21Å; L114-E118 WeakPolarHBondContact O-CB 3.43Å; L114-E118 PolarHBondContact O-N 2.82Å; L114-Y402 HydrophobicContact CD2-CD1 4.07Å; L114-Y402 HydrophobicContact CD2-CE1 3.71Å; L114-Y402 HydrophobicContact CD2-CE2 4.36Å; L114-Y402 HydrophobicContact CG-CE1 4.37Å
115	A	92.5	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-78.7	-30.3	177.6	0	0	0	0	0	113.5	T113 L119 H362 M365 K366	T113-A115 VanDerWaalsContact C-N 3.25Å; T113-A115 PolarHBondContact O-N 3.32Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 PolarHBondContact O-N 2.84Å; A115-H362 HydrophobicContact CB-CB 4.41Å; A115-H362 WeakPolarHBondContact CB-O 3.45Å; A115-M365 HydrophobicContact CB-CB 3.69Å; A115-M365 HydrophobicContact CB-SD 4.48Å; A115-K366 HydrophobicContact CB-CB 4.13Å
116	L	95	Very high	93.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-72.7	-41.3	170.6	-175.7	65.2	0	0	0	110.8	T113 E118 L119 F120 W123 V130 W174 M365	T113-L116 CarbonylContact O-C 3.54Å; T113-L116 VanDerWaalsContact O-CA 3.31Å; T113-L116 WeakPolarHBondContact O-CA 3.35Å; T113-L116 VanDerWaalsContact O-CB 3.32Å; T113-L116 WeakPolarHBondContact O-CB 3.1Å; T113-L116 PolarHBondContact O-N 2.64Å; L116-E118 PolarHBondContact O-N 3.44Å; L116-L119 PolarHBondContact O-N 2.72Å; L116-L119 VanDerWaalsContact O-N 3.1Å; L116-F120 HydrophobicContact CD1-CD2 4.3Å; L116-F120 CarbonylContact O-C 3.58Å; L116-F120 PolarHBondContact O-N 2.72Å; L116-W123 HydrophobicContact CD1-CB 4.29Å; L116-W123 HydrophobicContact CD2-CB 4.13Å; L116-W123 HydrophobicContact CD2-CD2 3.77Å; L116-W123 HydrophobicContact CD2-CE3 4.29Å; L116-W123 HydrophobicContact CD2-CG 3.72Å; L116-W123 HydrophobicContact CG-CB 4.02Å; L116-W123 HydrophobicContact CG-CD2 4.35Å; L116-W123 HydrophobicContact CG-CG 3.79Å; L116-V130 HydrophobicContact CD2-CG2 3.93Å; L116-W174 HydrophobicContact CD1-CH2 4.46Å; L116-W174 HydrophobicContact CD1-CZ3 3.94Å; L116-M365 HydrophobicContact CB-CE 3.95Å; L116-M365 HydrophobicContact CD1-CE 4.06Å
117	D	95.9	Very high	93.8	Very high	61 Å²	61	43.2 Å²	43.2	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-27.9	174.1	-57.5	-41	0	0	0	112	T113 L114 P121 W123	T113-D117 WeakPolarHBondContact CB-OD1 3.44Å; T113-D117 WeakPolarHBondContact CB-OD2 3.35Å; T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.32Å; T113-D117 PolarHBondContact OG1-OD1 2.92Å; T113-D117 PolarHBondContact OG1-OD2 2.69Å; L114-D117 WeakPolarHBondContact CA-OD2 3.19Å; L114-D117 PolarHBondContact N-OD2 3.21Å; D117-P121 WeakPolarHBondContact O-CA 3.39Å; D117-W123 PolarHBondContact OD1-NE1 2.68Å
118	E	96.7	Very high	94	Very high	69 Å²	69	43.6 Å²	43.6	32%	0.322	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-14.9	177.9	-159.2	-147.6	114.9	0	0	113.7	K78 L114 L116 K366 M369	K78-E118 PolarHBondContact NZ-O 2.75Å; L114-E118 WeakPolarHBondContact O-CB 3.43Å; L114-E118 PolarHBondContact O-N 2.82Å; L116-E118 PolarHBondContact O-N 3.44Å; E118-K366 IonicContact OE1-NZ 2.71Å; E118-K366 PolarHBondContact OE1-NZ 2.86Å; E118-K366 WeakPolarHBondContact OE2-CD 3.31Å; E118-K366 WeakPolarHBondContact OE2-CE 3.24Å; E118-K366 IonicContact OE2-NZ 2.81Å; E118-K366 PolarHBondContact OE2-NZ 2.96Å; E118-M369 HydrophobicContact CB-CE 3.93Å; E118-M369 HydrophobicContact CG-CE 3.99Å; E118-M369 WeakPolarHBondContact O-CE 3.09Å; E118-M369 WeakPolarHBondContact OE1-CE 3.32Å
119	L	97.1	Very high	94.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-40.4	178.5	-170.8	65.8	0	0	0	111.8	I77 K78 Q81 A115 L116 L175 M365 M369	I77-L119 HydrophobicContact CB-CD1 4.2Å; I77-L119 HydrophobicContact CD1-CD2 4.31Å; I77-L119 HydrophobicContact CG2-CD1 3.58Å; I77-L119 HydrophobicContact CG2-CD2 4.23Å; I77-L119 HydrophobicContact CG2-CG 3.89Å; K78-L119 HydrophobicContact CB-CD1 4.16Å; K78-L119 HydrophobicContact CD-CD1 4.08Å; Q81-L119 PolarHBondContact NE2-O 2.74Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 PolarHBondContact O-N 2.84Å; L116-L119 PolarHBondContact O-N 2.72Å; L116-L119 VanDerWaalsContact O-N 3.1Å; L119-L175 HydrophobicContact CD2-CD2 4.03Å; L119-M365 HydrophobicContact CD2-CE 4.28Å; L119-M369 HydrophobicContact CB-CE 3.9Å; L119-M369 HydrophobicContact CB-SD 4.13Å; L119-M369 HydrophobicContact CD1-CE 3.97Å; L119-M369 HydrophobicContact CD1-CG 4.08Å; L119-M369 HydrophobicContact CD1-SD 4.25Å
120	F	97.3	Very high	94.9	Very high	18 Å²	18	44.6 Å²	44.6	8%	0.079	26%	0.259	C	S	.	.			trans	-141.3	86.1	176.9	-66.7	-76	0	0	0	109	I77 L116 D122 W123 L126 W174 L175 K178	I77-F120 HydrophobicContact CD1-CE2 3.9Å; I77-F120 HydrophobicContact CD1-CZ 4.04Å; I77-F120 HydrophobicContact CG1-CZ 4.35Å; I77-F120 HydrophobicContact CG2-CE1 4.3Å; I77-F120 HydrophobicContact CG2-CE2 3.84Å; I77-F120 HydrophobicContact CG2-CZ 3.48Å; I77-F120 VanDerWaalsContact CG2-CZ 3.48Å; L116-F120 HydrophobicContact CD1-CD2 4.3Å; L116-F120 CarbonylContact O-C 3.58Å; L116-F120 PolarHBondContact O-N 2.72Å; F120-D122 PolarHBondContact O-N 2.74Å; F120-W123 HydrophobicContact CB-CB 4.05Å; F120-W123 WeakPolarHBondContact O-CB 3.37Å; F120-W123 PolarHBondContact O-N 3.04Å; F120-L126 HydrophobicContact CB-CD1 4.36Å; F120-L126 HydrophobicContact CD1-CD1 3.85Å; F120-L126 HydrophobicContact CG-CD1 4.4Å; F120-W174 HydrophobicContact CB-CH2 4.31Å; F120-W174 AromaticContact CD2-CH2 3.7Å; F120-W174 HydrophobicContact CD2-CH2 3.7Å; F120-W174 AromaticContact CD2-CZ3 3.86Å; F120-W174 HydrophobicContact CD2-CZ3 3.86Å; F120-W174 HydrophobicContact CE2-CH2 4.11Å; F120-W174 HydrophobicContact CE2-CZ3 4.06Å; F120-W174 AromaticContact CG-CH2 3.98Å; F120-W174 HydrophobicContact CG-CH2 3.98Å; F120-L175 HydrophobicContact CD2-CD2 4.45Å; F120-L175 HydrophobicContact CE2-CD2 3.96Å; F120-K178 HydrophobicContact CE1-CB 4.28Å; F120-K178 HydrophobicContact CE2-CB 4.18Å; F120-K178 HydrophobicContact CZ-CB 3.62Å; F120-K178 HydrophobicContact CZ-CG 4.23Å
121	P	97.1	Very high	95	Very high	111 Å²	111	48.8 Å²	48.8	72%	0.721	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21	-177.6	-26.1	35.3	0	0	0	114.7	D117	D117-P121 WeakPolarHBondContact O-CA 3.39Å
122	D	96.2	Very high	95.1	Very high	84 Å²	84	49.6 Å²	49.6	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	15.7	-178.8	62.5	-33.9	0	0	0	113.8	F120 K124 A125 L126	F120-D122 PolarHBondContact O-N 2.74Å; D122-K124 PolarHBondContact O-N 3.29Å; D122-A125 PolarHBondContact O-N 3.32Å; D122-L126 PolarHBondContact O-N 2.9Å; D122-L126 VanDerWaalsContact O-N 3.16Å; D122-L126 WeakPolarHBondContact OD1-CD1 3.45Å; D122-L126 WeakPolarHBondContact OD2-CD1 3.3Å; D122-L126 WeakPolarHBondContact OD2-CG 3.37Å
123	W	96.7	Very high	95.3	Very high	9 Å²	9	50 Å²	50	3%	0.034	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-28.2	-175.1	63	-102.8	0	0	0	115.7	T113 L116 D117 F120 L126 G127 A128 V130 Y164 W174	T113-W123 HydrophobicContact CG2-CH2 4.36Å; T113-W123 HydrophobicContact CG2-CZ2 3.73Å; L116-W123 HydrophobicContact CD1-CB 4.29Å; L116-W123 HydrophobicContact CD2-CB 4.13Å; L116-W123 HydrophobicContact CD2-CD2 3.77Å; L116-W123 HydrophobicContact CD2-CE3 4.29Å; L116-W123 HydrophobicContact CD2-CG 3.72Å; L116-W123 HydrophobicContact CG-CB 4.02Å; L116-W123 HydrophobicContact CG-CD2 4.35Å; L116-W123 HydrophobicContact CG-CG 3.79Å; D117-W123 PolarHBondContact OD1-NE1 2.68Å; F120-W123 HydrophobicContact CB-CB 4.05Å; F120-W123 WeakPolarHBondContact O-CB 3.37Å; F120-W123 PolarHBondContact O-N 3.04Å; W123-L126 CarbonylContact O-C 3.07Å; W123-G127 PolarHBondContact O-N 3.41Å; W123-A128 HydrophobicContact CB-CB 4.07Å; W123-A128 HydrophobicContact CE3-CB 4.07Å; W123-A128 WeakPolarHBondContact O-CB 3.38Å; W123-A128 PolarHBondContact O-N 3.18Å; W123-V130 HydrophobicContact CE3-CB 4.14Å; W123-V130 HydrophobicContact CH2-CB 3.92Å; W123-V130 HydrophobicContact CH2-CG1 3.83Å; W123-V130 WeakPolarHBondContact CH2-O 3.43Å; W123-V130 HydrophobicContact CZ2-CG1 4.49Å; W123-V130 HydrophobicContact CZ3-CB 3.56Å; W123-V130 HydrophobicContact CZ3-CG1 4.02Å; W123-V130 VanDerWaalsContact CZ3-O 3.32Å; W123-V130 WeakPolarHBondContact CZ3-O 3.37Å; W123-Y164 HydrophobicContact CH2-CE1 4.47Å; W123-W174 HydrophobicContact CB-CH2 4.27Å
124	K	94.5	Very high	95.2	Very high	142 Å²	142	50.2 Å²	50.2	62%	0.617	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-41.6	175.1	-69.1	178.4	-177.9	172.6	0	113.1	D122 G127	D122-K124 PolarHBondContact O-N 3.29Å; K124-G127 PolarHBondContact O-N 2.8Å
125	A	96.5	Very high	95.2	Very high	92 Å²	92	50.7 Å²	50.7	76%	0.76	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-32.2	176.1	0	0	0	0	0	111.1	D122 G127	D122-A125 PolarHBondContact O-N 3.32Å; A125-G127 PolarHBondContact O-N 3.33Å
126	L	96.7	Very high	94.9	Very high	58 Å²	58	53.7 Å²	53.7	30%	0.304	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	7.7	173.3	-57.7	178.8	0	0	0	114.3	F120 D122 W123 A128 W174	F120-L126 HydrophobicContact CB-CD1 4.36Å; F120-L126 HydrophobicContact CD1-CD1 3.85Å; F120-L126 HydrophobicContact CG-CD1 4.4Å; D122-L126 PolarHBondContact O-N 2.9Å; D122-L126 VanDerWaalsContact O-N 3.16Å; D122-L126 WeakPolarHBondContact OD1-CD1 3.45Å; D122-L126 WeakPolarHBondContact OD2-CD1 3.3Å; D122-L126 WeakPolarHBondContact OD2-CG 3.37Å; W123-L126 CarbonylContact O-C 3.07Å; L126-A128 PolarHBondContact O-N 2.96Å; L126-W174 HydrophobicContact CB-CZ2 3.83Å; L126-W174 PolarHBondContact O-NE1 3.42Å
127	G	95.6	Very high	94.5	Very high	55 Å²	55	55.2 Å²	55.2	57%	0.567	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	22.7	171.4	0	0	0	0	0	116.2	W123 K124 A125	W123-G127 PolarHBondContact O-N 3.41Å; K124-G127 PolarHBondContact O-N 2.8Å; A125-G127 PolarHBondContact O-N 3.33Å
128	A	96.7	Very high	94	Very high	11 Å²	11	57.8 Å²	57.8	9%	0.091	32%	0.315	C	S	.	.			trans	-60.5	139	-179.9	0	0	0	0	0	111.7	W123 L126 V130 W174	W123-A128 HydrophobicContact CB-CB 4.07Å; W123-A128 HydrophobicContact CE3-CB 4.07Å; W123-A128 WeakPolarHBondContact O-CB 3.38Å; W123-A128 PolarHBondContact O-N 3.18Å; L126-A128 PolarHBondContact O-N 2.96Å; A128-V130 HydrophobicContact CB-CG2 4.32Å; A128-V130 PolarHBondContact O-N 2.92Å; A128-W174 HydrophobicContact CB-CD2 3.78Å; A128-W174 HydrophobicContact CB-CE3 3.92Å; A128-W174 HydrophobicContact CB-CH2 3.78Å; A128-W174 HydrophobicContact CB-CZ2 3.59Å; A128-W174 HydrophobicContact CB-CZ3 3.93Å
129	P	95.5	Very high	93.3	Very high	23 Å²	23	54.9 Å²	54.9	15%	0.149	30%	0.302	C	S	.	.	S	Bend	trans	-76.9	63.4	-174.3	31.5	-36.6	0	0	0	112.6	Y131 H170 L171 W174	P129-Y131 HydrophobicContact CB-CE1 4.24Å; P129-H170 HydrophobicContact CB-CB 4.18Å; P129-H170 HydrophobicContact CG-CB 3.96Å; P129-L171 HydrophobicContact CG-CB 4.23Å; P129-L171 HydrophobicContact CG-CD1 4.46Å; P129-W174 HydrophobicContact CG-CB 4.28Å
130	V	94.9	Very high	92.7	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.018	30%	0.301	C	S	.	.			trans	-134.9	55.2	-172.9	-169.4	0	0	0	0	109.8	I111 T113 L116 W123 A128 Y164 V166 L171	I111-V130 HydrophobicContact CD1-CG1 4.01Å; I111-V130 HydrophobicContact CD1-CG2 4.43Å; T113-V130 HydrophobicContact CG2-CG1 4.3Å; L116-V130 HydrophobicContact CD2-CG2 3.93Å; W123-V130 HydrophobicContact CE3-CB 4.14Å; W123-V130 HydrophobicContact CH2-CB 3.92Å; W123-V130 HydrophobicContact CH2-CG1 3.83Å; W123-V130 WeakPolarHBondContact CH2-O 3.43Å; W123-V130 HydrophobicContact CZ2-CG1 4.49Å; W123-V130 HydrophobicContact CZ3-CB 3.56Å; W123-V130 HydrophobicContact CZ3-CG1 4.02Å; W123-V130 VanDerWaalsContact CZ3-O 3.32Å; W123-V130 WeakPolarHBondContact CZ3-O 3.37Å; A128-V130 HydrophobicContact CB-CG2 4.32Å; A128-V130 PolarHBondContact O-N 2.92Å; V130-Y164 HydrophobicContact CG1-CD1 3.95Å; V130-Y164 HydrophobicContact CG1-CD2 4.44Å; V130-Y164 HydrophobicContact CG1-CG 3.82Å; V130-Y164 VanDerWaalsContact O-CD1 3.3Å; V130-Y164 WeakPolarHBondContact O-CD1 3.43Å; V130-Y164 WeakPolarHBondContact O-CE1 3.28Å; V130-V166 HydrophobicContact CB-CG1 4.16Å; V130-V166 HydrophobicContact CG1-CG1 3.86Å; V130-V166 HydrophobicContact CG2-CG1 4.05Å; V130-L171 HydrophobicContact CG2-CD1 3.79Å; V130-L171 HydrophobicContact CG2-CD2 4.12Å
131	Y	90.9	Very high	92.1	Very high	90 Å²	90	55.4 Å²	55.4	35%	0.353	31%	0.305	S	S	.	.			trans	-92.2	-41.1	-174.6	43.3	-94.4	0	0	0	112.9	P129 K133 I304 D305 E306	P129-Y131 HydrophobicContact CB-CE1 4.24Å; Y131-K133 PolarHBondContact O-N 2.93Å; Y131-I304 HydrophobicContact CE2-CD1 3.75Å; Y131-I304 HydrophobicContact CE2-CG1 3.74Å; Y131-I304 WeakPolarHBondContact OH-CD1 3.44Å; Y131-D305 WeakPolarHBondContact CE2-O 3.41Å; Y131-E306 HydrophobicContact CE2-CB 4.48Å; Y131-E306 WeakPolarHBondContact OH-CB 3.48Å; Y131-E306 WeakPolarHBondContact OH-CG 3.32Å; Y131-E306 PolarHBondContact OH-OE1 3.22Å
132	Q	93.8	Very high	91.4	Very high	20 Å²	20	50.3 Å²	50.3	9%	0.093	27%	0.272	C	S	.	.			trans	-76.7	93.8	-172	-178	68.2	83.8	0	0	112.4	Y164 I165 G281 I304 D305	Q132-Y164 CarbonylContact O-C 3.54Å; Q132-Y164 VanDerWaalsContact O-CA 3.26Å; Q132-Y164 WeakPolarHBondContact O-CA 3.4Å; Q132-I165 HydrophobicContact CB-CB 4.33Å; Q132-I165 HydrophobicContact CG-CB 4Å; Q132-I165 HydrophobicContact CG-CD1 4.09Å; Q132-I165 HydrophobicContact CG-CG1 4.43Å; Q132-I165 PolarHBondContact O-N 3.36Å; Q132-G281 VanDerWaalsContact NE2-N 3.16Å; Q132-I304 HydrophobicContact CB-CD1 4.17Å; Q132-I304 HydrophobicContact CB-CG1 3.8Å; Q132-I304 HydrophobicContact CG-CB 4.35Å; Q132-I304 HydrophobicContact CG-CG1 4.1Å; Q132-D305 VanDerWaalsContact OE1-N 3.11Å
133	K	94.6	Very high	91	Very high	89 Å²	89	49 Å²	49	39%	0.387	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-68.7	147.1	168.2	-164.3	173.4	-176.7	176.8	0	110.5	Y131 N162 Y164 G281	Y131-K133 PolarHBondContact O-N 2.93Å; K133-N162 WeakPolarHBondContact CE-OD1 3.21Å; K133-N162 PolarHBondContact NZ-OD1 3.16Å; K133-Y164 HydrophobicContact CB-CD1 4.18Å; K133-Y164 HydrophobicContact CB-CE1 3.87Å; K133-Y164 HydrophobicContact CG-CE1 4.42Å; K133-Y164 HydrophobicContact CG-CE2 4.43Å; K133-G281 WeakPolarHBondContact O-CA 3.49Å
134	V	92.4	Very high	90.5	Very high	25 Å²	25	55.3 Å²	55.3	15%	0.152	29%	0.294	C	S	.	.			trans	-67.3	132.5	170.6	176.1	0	0	0	0	110.7	L110 N160 S163 I165 G281 V283	L110-V134 HydrophobicContact CD2-CG2 3.31Å; V134-N160 HydrophobicContact CB-CB 4.45Å; V134-N160 HydrophobicContact CG1-CB 4.11Å; V134-N160 HydrophobicContact CG2-CB 4.19Å; V134-S163 PolarHBondContact N-O 3.08Å; V134-S163 VanDerWaalsContact N-O 3.1Å; V134-I165 HydrophobicContact CG2-CG1 4.17Å; V134-G281 WeakPolarHBondContact CA-O 3.33Å; V134-V283 HydrophobicContact CB-CG2 4.32Å; V134-V283 HydrophobicContact CG1-CB 4.33Å; V134-V283 HydrophobicContact CG1-CG2 3.72Å; V134-V283 HydrophobicContact CG2-CG2 3.67Å
135	T	92	Very high	90.1	Very high	100 Å²	100	52.8 Å²	52.8	61%	0.613	29%	0.287	S	S	*	.			trans	-113.6	-41.8	-176.8	53.1	0	0	0	0	112.3	P280 G281	T135-P280 WeakPolarHBondContact CG2-O 3.4Å; T135-P280 PolarHBondContact OG1-O 2.87Å; T135-G281 PolarHBondContact N-O 2.84Å; T135-G281 WeakPolarHBondContact OG1-CA 3.39Å; T135-G281 PolarHBondContact OG1-O 3.03Å
136	E	88	Confident	89.6	Confident	64 Å²	64	56.4 Å²	56.4	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	177.6	177.7	175.2	-161.8	0	0	109.7	R138 R279 Y282 V283	E136-R138 HydrophobicContact CG-CG 4.5Å; E136-R138 IonicContact OE1-CZ 3.82Å; E136-R138 IonicContact OE1-NE 3.16Å; E136-R138 PolarHBondContact OE1-NE 2.65Å; E136-R138 IonicContact OE1-NH2 3.75Å; E136-R138 PolarHBondContact OE1-NH2 2.85Å; E136-R138 IonicContact OE2-NH2 2.82Å; E136-R279 IonicContact OE2-NH1 3.77Å; E136-Y282 HydrophobicContact CB-CD2 3.9Å; E136-Y282 HydrophobicContact CG-CD2 3.75Å; E136-Y282 HydrophobicContact CG-CE2 3.9Å; E136-Y282 WeakPolarHBondContact OE2-CD2 3.43Å; E136-Y282 WeakPolarHBondContact OE2-CE2 3.16Å; E136-V283 WeakPolarHBondContact O-CB 3.45Å; E136-V283 PolarHBondContact O-N 3.13Å
137	E	86.6	Confident	89.1	Confident	33 Å²	33	56.4 Å²	56.4	15%	0.154	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.7	173	178.7	-178.8	153.3	0	0	110.3	V152 K159 N160 V283	E137-V152 HydrophobicContact CG-CG1 4.1Å; E137-V152 HydrophobicContact CG-CG2 4.38Å; E137-V152 VanDerWaalsContact OE1-CG1 3.23Å; E137-V152 WeakPolarHBondContact OE1-CG1 3.47Å; E137-K159 WeakPolarHBondContact OE1-CA 3.44Å; E137-K159 PolarHBondContact OE1-N 2.81Å; E137-K159 WeakPolarHBondContact OE2-CA 3.45Å; E137-N160 PolarHBondContact OE1-ND2 2.79Å; E137-N160 WeakPolarHBondContact OE2-CB 3.18Å; E137-N160 PolarHBondContact OE2-N 3.43Å; E137-N160 PolarHBondContact OE2-ND2 2.76Å; E137-V283 CarbonylContact C-O 3.55Å; E137-V283 VanDerWaalsContact CA-O 3.27Å; E137-V283 WeakPolarHBondContact CA-O 3.25Å; E137-V283 HydrophobicContact CB-CB 4.4Å; E137-V283 HydrophobicContact CG-CB 4.49Å; E137-V283 HydrophobicContact CG-CG1 4.15Å
138	R	83.5	Confident	88.6	Confident	115 Å²	115	58.1 Å²	58.1	43%	0.434	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.1	170.7	-58.6	-161.4	-173.5	178.3	2.5	111.4	E136 Y282 V283 D284 H285	E136-R138 HydrophobicContact CG-CG 4.5Å; E136-R138 IonicContact OE1-CZ 3.82Å; E136-R138 IonicContact OE1-NE 3.16Å; E136-R138 PolarHBondContact OE1-NE 2.65Å; E136-R138 IonicContact OE1-NH2 3.75Å; E136-R138 PolarHBondContact OE1-NH2 2.85Å; E136-R138 IonicContact OE2-NH2 2.82Å; R138-Y282 VanDerWaalsContact CD-OH 3.32Å; R138-Y282 WeakPolarHBondContact CD-OH 3.31Å; R138-Y282 HydrophobicContact CG-CE2 3.92Å; R138-V283 PolarHBondContact N-O 2.83Å; R138-D284 CarbonylContact O-C 3.55Å; R138-D284 WeakPolarHBondContact O-CA 3.42Å; R138-H285 PolarHBondContact O-N 2.96Å
139	I	83.9	Confident	88	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.7	169.3	-55	166.4	0	0	0	107.8	V150 V152 L156 L158 H285	I139-V150 HydrophobicContact CB-CB 3.96Å; I139-V150 HydrophobicContact CB-CG1 4.48Å; I139-V150 HydrophobicContact CG2-CB 3.82Å; I139-V150 HydrophobicContact CG2-CG1 4.19Å; I139-V150 HydrophobicContact CG2-CG2 4.29Å; I139-V150 PolarHBondContact O-N 3.45Å; I139-V152 HydrophobicContact CD1-CG1 4.38Å; I139-V152 HydrophobicContact CD1-CG2 3.97Å; I139-V152 HydrophobicContact CG1-CG2 3.98Å; I139-L156 HydrophobicContact CD1-CD1 4.3Å; I139-L156 HydrophobicContact CD1-CD2 3.59Å; I139-L158 HydrophobicContact CD1-CB 4.15Å; I139-L158 HydrophobicContact CD1-CD1 3.76Å; I139-L158 HydrophobicContact CG1-CD1 4.01Å; I139-L158 HydrophobicContact CG2-CD1 4.31Å; I139-H285 CarbonylContact C-O 3.5Å; I139-H285 WeakPolarHBondContact CA-O 3.21Å; I139-H285 HydrophobicContact CG1-CB 4.27Å
140	G	82.7	Confident	87.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.2	176.9	0	0	0	0	0	114.5	I148 H285 T286 L287	G140-I148 CarbonylContact C-O 3.4Å; G140-I148 VanDerWaalsContact CA-O 3.26Å; G140-I148 WeakPolarHBondContact CA-O 3.41Å; G140-H285 PolarHBondContact N-O 2.71Å; G140-T286 WeakPolarHBondContact O-CA 3.24Å; G140-L287 PolarHBondContact O-N 3.31Å
141	I	85.1	Confident	86.9	Confident	30 Å²	30	67.9 Å²	67.9	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.4	164.3	-60.6	169.2	0	0	0	107.3	I148 V150 L287 M423 L427	I141-I148 HydrophobicContact CB-CB 4.43Å; I141-I148 PolarHBondContact N-O 2.77Å; I141-I148 PolarHBondContact O-N 2.81Å; I141-V150 HydrophobicContact CD1-CG2 4.08Å; I141-V150 HydrophobicContact CG1-CG2 3.89Å; I141-L287 CarbonylContact C-O 3.2Å; I141-L287 WeakPolarHBondContact CA-O 3.48Å; I141-M423 HydrophobicContact CG2-CE 4.15Å; I141-L427 HydrophobicContact CD1-CD1 3.76Å
142	L	83.7	Confident	86.4	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.5	179.4	-54.2	-170.2	0	0	0	110.8	R147 T286 L287 W289 Y336 H339 I342	L142-R147 HydrophobicContact CD2-CB 3.75Å; L142-R147 HydrophobicContact CD2-CG 3.79Å; L142-T286 HydrophobicContact CD1-CG2 4.42Å; L142-T286 WeakPolarHBondContact CD1-OG1 3.33Å; L142-T286 HydrophobicContact CD2-CG2 4.28Å; L142-T286 HydrophobicContact CG-CG2 4.33Å; L142-L287 PolarHBondContact N-O 3.23Å; L142-W289 HydrophobicContact CB-CB 3.89Å; L142-W289 WeakPolarHBondContact O-CB 3.33Å; L142-W289 PolarHBondContact O-N 3.36Å; L142-Y336 HydrophobicContact CD1-CD2 4.15Å; L142-Y336 HydrophobicContact CD1-CE2 3.65Å; L142-H339 HydrophobicContact CD1-CB 4.48Å; L142-I342 HydrophobicContact CD1-CD1 4.21Å; L142-I342 HydrophobicContact CD1-CG1 4.01Å
143	T	87.9	Confident	86	Confident	55 Å²	55	67.2 Å²	67.2	34%	0.337	34%	0.342	S	S	.	.			trans	-97.7	-176.6	155.7	66.9	0	0	0	0	108.4	N145 Y146 W289 H339	T143-N145 PolarHBondContact O-N 3.31Å; T143-Y146 PolarHBondContact N-O 3.01Å; T143-Y146 WeakPolarHBondContact OG1-CA 3.37Å; T143-Y146 WeakPolarHBondContact OG1-CB 3.46Å; T143-Y146 PolarHBondContact OG1-N 2.82Å; T143-Y146 PolarHBondContact OG1-O 3.12Å; T143-W289 WeakPolarHBondContact O-CB 3.46Å; T143-H339 PolarHBondContact O-CD2 3.21Å; T143-H339 PolarHBondContact O-NE2 2.76Å
144	K	86	Confident	85.2	Confident	143 Å²	143	67.6 Å²	67.6	62%	0.622	35%	0.353	S	S	*	.	S	Bend	trans	-59	-34.8	176.5	-170.7	-173.4	172.1	-174.5	0	113.4	W289 H339	K144-W289 HydrophobicContact CG-CZ2 4.17Å; K144-H339 PolarHBondContact O-CD2 2.87Å; K144-H339 VanDerWaalsContact O-CD2 3.3Å
145	N	85.6	Confident	84.4	Confident	89 Å²	89	68.1 Å²	68.1	48%	0.476	36%	0.363	S	S	.	.	S	Bend	trans	-120.3	-22.4	-169.1	-58.7	1	0	0	0	113.6	T143 H339	T143-N145 PolarHBondContact O-N 3.31Å; N145-H339 VanDerWaalsContact C-NE2 3.33Å; N145-H339 PolarHBondContact N-NE2 2.84Å
146	Y	84.7	Confident	83.9	Confident	168 Å²	168	64.7 Å²	64.7	66%	0.659	34%	0.341	S	S	*	.			trans	-128	145.6	-170.8	-50.5	-78	0	0	0	111.7	T143 H339	T143-Y146 PolarHBondContact N-O 3.01Å; T143-Y146 WeakPolarHBondContact OG1-CA 3.37Å; T143-Y146 WeakPolarHBondContact OG1-CB 3.46Å; T143-Y146 PolarHBondContact OG1-N 2.82Å; T143-Y146 PolarHBondContact OG1-O 3.12Å; Y146-H339 PolarHBondContact N-NE2 2.74Å; Y146-H339 PolarHBondContact O-CE1 2.83Å; Y146-H339 PolarHBondContact O-NE2 3.01Å
147	R	86.2	Confident	83.3	Confident	58 Å²	58	62.4 Å²	62.4	22%	0.219	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.8	169.5	172.3	175.6	176.5	146.9	6.7	110	L142 D284 H339 S341	L142-R147 HydrophobicContact CD2-CB 3.75Å; L142-R147 HydrophobicContact CD2-CG 3.79Å; R147-D284 IonicContact CZ-OD1 2.69Å; R147-D284 IonicContact CZ-OD2 3.37Å; R147-D284 VanDerWaalsContact NH1-CG 3.32Å; R147-D284 IonicContact NH1-OD1 2.68Å; R147-D284 PolarHBondContact NH1-OD1 2.82Å; R147-D284 IonicContact NH1-OD2 2.73Å; R147-D284 PolarHBondContact NH1-OD2 3.46Å; R147-D284 VanDerWaalsContact NH2-CG 3.34Å; R147-D284 IonicContact NH2-OD1 2.77Å; R147-D284 PolarHBondContact NH2-OD1 3.04Å; R147-D284 IonicContact NH2-OD2 3.13Å; R147-D284 PolarHBondContact NH2-OD2 3.2Å; R147-H339 WeakPolarHBondContact CB-CE1 3.24Å; R147-H339 PolarHBondContact N-CE1 2.64Å; R147-S341 WeakPolarHBondContact CB-OG 3.34Å; R147-S341 WeakPolarHBondContact CD-OG 3.43Å
148	I	86.9	Confident	82.9	Confident	91 Å²	91	61.9 Å²	61.9	47%	0.467	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.4	172.4	-55.2	173.4	0	0	0	107.2	G140 I141	G140-I148 CarbonylContact C-O 3.4Å; G140-I148 VanDerWaalsContact CA-O 3.26Å; G140-I148 WeakPolarHBondContact CA-O 3.41Å; I141-I148 HydrophobicContact CB-CB 4.43Å; I141-I148 PolarHBondContact N-O 2.77Å; I141-I148 PolarHBondContact O-N 2.81Å
149	P	83.2	Confident	82.7	Confident	103 Å²	103	59.7 Å²	59.7	67%	0.669	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	143.2	178.9	29.5	-34.2	0	0	0	111.6
150	V	82.9	Confident	82.6	Confident	42 Å²	42	59.4 Å²	59.4	26%	0.255	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.1	177.1	179	0	0	0	0	109.6	I139 I141 V152	I139-V150 HydrophobicContact CB-CB 3.96Å; I139-V150 HydrophobicContact CB-CG1 4.48Å; I139-V150 HydrophobicContact CG2-CB 3.82Å; I139-V150 HydrophobicContact CG2-CG1 4.19Å; I139-V150 HydrophobicContact CG2-CG2 4.29Å; I139-V150 PolarHBondContact O-N 3.45Å; I141-V150 HydrophobicContact CD1-CG2 4.08Å; I141-V150 HydrophobicContact CG1-CG2 3.89Å; V150-V152 PolarHBondContact O-N 3.01Å
151	P	84.2	Confident	82.4	Confident	97 Å²	97	63.4 Å²	63.4	63%	0.63	35%	0.35	S	S	*	.			trans	-63.9	127.4	-177.8	-25.8	35.7	0	0	0	114.8	V153	P151-V153 VanDerWaalsContact C-N 3.31Å; P151-V153 HydrophobicContact CB-CG1 4.19Å; P151-V153 PolarHBondContact O-N 2.72Å
152	V	81.6	Confident	82.4	Confident	37 Å²	37	67.1 Å²	67.1	22%	0.224	37%	0.371	C	S	.	.			trans	-83.5	67.4	-178.1	-167.5	0	0	0	0	112.2	E137 I139 V150 K159	E137-V152 HydrophobicContact CG-CG1 4.1Å; E137-V152 HydrophobicContact CG-CG2 4.38Å; E137-V152 VanDerWaalsContact OE1-CG1 3.23Å; E137-V152 WeakPolarHBondContact OE1-CG1 3.47Å; I139-V152 HydrophobicContact CD1-CG1 4.38Å; I139-V152 HydrophobicContact CD1-CG2 3.97Å; I139-V152 HydrophobicContact CG1-CG2 3.98Å; V150-V152 PolarHBondContact O-N 3.01Å; V152-K159 HydrophobicContact CG1-CB 4.44Å; V152-K159 HydrophobicContact CG1-CD 4.33Å; V152-K159 HydrophobicContact CG1-CG 4.27Å; V152-K159 PolarHBondContact O-NZ 3.37Å
153	V	83.9	Confident	82.8	Confident	59 Å²	59	66.9 Å²	66.9	36%	0.358	37%	0.369	S	S	.	.			trans	-71.2	154.2	-174.5	-61.8	0	0	0	0	114	P151 G155 L156 V435	P151-V153 VanDerWaalsContact C-N 3.31Å; P151-V153 HydrophobicContact CB-CG1 4.19Å; P151-V153 PolarHBondContact O-N 2.72Å; V153-G155 PolarHBondContact O-N 3Å; V153-L156 HydrophobicContact CG2-CB 4.11Å; V153-L156 HydrophobicContact CG2-CD1 4.13Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 2.98Å; V153-V435 HydrophobicContact CG2-CG1 3.87Å
154	P	77.9	Confident	83.1	Confident	97 Å²	97	65.8 Å²	65.8	63%	0.63	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	125.3	176.2	-26.5	36.1	0	0	0	114	R438	P154-R438 PolarHBondContact O-NH2 3.26Å
155	G	76.2	Confident	83.4	Confident	35 Å²	35	59 Å²	59	36%	0.361	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	14.6	179.8	0	0	0	0	0	115.2	V153 Y434 R438	V153-G155 PolarHBondContact O-N 3Å; G155-Y434 VanDerWaalsContact O-CE1 3.29Å; G155-Y434 WeakPolarHBondContact O-CE1 3.35Å; G155-R438 PolarHBondContact O-NH1 3.49Å
156	L	81.5	Confident	83.8	Confident	29 Å²	29	55 Å²	55	15%	0.152	31%	0.308	C	S	.	.			trans	-70.9	137.7	160.8	-168	153.8	0	0	0	109	I139 V153 L158 K159 V435	I139-L156 HydrophobicContact CD1-CD1 4.3Å; I139-L156 HydrophobicContact CD1-CD2 3.59Å; V153-L156 HydrophobicContact CG2-CB 4.11Å; V153-L156 HydrophobicContact CG2-CD1 4.13Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 2.98Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 HydrophobicContact CD2-CB 3.91Å; L156-L158 HydrophobicContact CD2-CD1 4.33Å; L156-L158 HydrophobicContact CD2-CG 4.3Å; L156-L158 PolarHBondContact O-N 3.21Å; L156-K159 WeakPolarHBondContact O-CB 3.43Å; L156-K159 PolarHBondContact O-N 2.82Å; L156-K159 VanDerWaalsContact O-N 3.13Å; L156-V435 HydrophobicContact CB-CG2 4.49Å; L156-V435 HydrophobicContact CG-CG2 4.47Å
157	P	75.5	Confident	84.3	Confident	16 Å²	16	48.2 Å²	48.2	10%	0.104	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-35.7	-167.4	-19.9	25.1	0	0	0	115.8	K159 A356 A357 T430 Y434	P157-K159 PolarHBondContact O-N 2.92Å; P157-A356 HydrophobicContact CB-CB 3.67Å; P157-A356 HydrophobicContact CG-CB 3.8Å; P157-A357 HydrophobicContact CB-CB 4.33Å; P157-A357 WeakPolarHBondContact O-CB 3.48Å; P157-T430 HydrophobicContact CG-CG2 4.45Å; P157-Y434 HydrophobicContact CB-CE1 4.19Å; P157-Y434 HydrophobicContact CG-CD1 3.6Å; P157-Y434 HydrophobicContact CG-CE1 3.45Å; P157-Y434 VanDerWaalsContact CG-CE1 3.45Å; P157-Y434 HydrophobicContact CG-CG 4.41Å
158	L	77.2	Confident	84.7	Confident	22 Å²	22	45.8 Å²	45.8	12%	0.115	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.6	-179.4	-69.6	167.7	0	0	0	112.2	I139 L156 N160 H285 A356 L358 K359	I139-L158 HydrophobicContact CD1-CB 4.15Å; I139-L158 HydrophobicContact CD1-CD1 3.76Å; I139-L158 HydrophobicContact CG1-CD1 4.01Å; I139-L158 HydrophobicContact CG2-CD1 4.31Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 HydrophobicContact CD2-CB 3.91Å; L156-L158 HydrophobicContact CD2-CD1 4.33Å; L156-L158 HydrophobicContact CD2-CG 4.3Å; L156-L158 PolarHBondContact O-N 3.21Å; L158-N160 PolarHBondContact O-N 2.63Å; L158-N160 PolarHBondContact O-ND2 3.5Å; L158-N160 PolarHBondContact O-OD1 3.03Å; L158-H285 HydrophobicContact CD1-CB 3.88Å; L158-A356 VanDerWaalsContact CD2-O 3.28Å; L158-A356 WeakPolarHBondContact CD2-O 3.49Å; L158-A356 WeakPolarHBondContact CG-O 3.26Å; L158-L358 HydrophobicContact CD2-CD1 4.48Å; L158-L358 HydrophobicContact CD2-CG 4.41Å; L158-K359 PolarHBondContact O-NZ 2.7Å
159	K	80.9	Confident	85.2	Confident	69 Å²	69	41.7 Å²	41.7	30%	0.3	25%	0.253	S	S	.	.			trans	-49.8	119.5	-166.6	-169.4	161.2	-170.7	148.4	0	114.1	E137 V152 L156 P157	E137-K159 WeakPolarHBondContact OE1-CA 3.44Å; E137-K159 PolarHBondContact OE1-N 2.81Å; E137-K159 WeakPolarHBondContact OE2-CA 3.45Å; V152-K159 HydrophobicContact CG1-CB 4.44Å; V152-K159 HydrophobicContact CG1-CD 4.33Å; V152-K159 HydrophobicContact CG1-CG 4.27Å; V152-K159 PolarHBondContact O-NZ 3.37Å; L156-K159 WeakPolarHBondContact O-CB 3.43Å; L156-K159 PolarHBondContact O-N 2.82Å; L156-K159 VanDerWaalsContact O-N 3.13Å; P157-K159 PolarHBondContact O-N 2.92Å
160	N	81.3	Confident	85.8	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	23%	0.23	C	C	.	.			trans	-100.2	23.5	-164.5	-62.8	-69.7	0	0	0	114.2	L110 V134 E137 L158 N162 S163 K359	L110-N160 HydrophobicContact CD1-CB 4.4Å; L110-N160 VanDerWaalsContact CD1-OD1 3.25Å; L110-N160 WeakPolarHBondContact CD1-OD1 3.36Å; V134-N160 HydrophobicContact CB-CB 4.45Å; V134-N160 HydrophobicContact CG1-CB 4.11Å; V134-N160 HydrophobicContact CG2-CB 4.19Å; E137-N160 PolarHBondContact OE1-ND2 2.79Å; E137-N160 WeakPolarHBondContact OE2-CB 3.18Å; E137-N160 PolarHBondContact OE2-N 3.43Å; E137-N160 PolarHBondContact OE2-ND2 2.76Å; L158-N160 PolarHBondContact O-N 2.63Å; L158-N160 PolarHBondContact O-ND2 3.5Å; L158-N160 PolarHBondContact O-OD1 3.03Å; N160-N162 PolarHBondContact O-N 3.08Å; N160-S163 VanDerWaalsContact O-CB 3.25Å; N160-S163 WeakPolarHBondContact O-CB 3.49Å; N160-S163 PolarHBondContact O-N 3.38Å; N160-S163 PolarHBondContact O-OG 3.19Å; N160-K359 WeakPolarHBondContact OD1-CE 3.29Å; N160-K359 PolarHBondContact OD1-NZ 2.91Å
161	S	78.5	Confident	86.5	Confident	84 Å²	84	36.7 Å²	36.7	59%	0.587	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	124.3	176.6	-58.5	0	0	0	0	111.1	S163	S161-S163 VanDerWaalsContact C-N 3.27Å; S161-S163 PolarHBondContact O-N 3.44Å
162	N	84.3	Confident	87.2	Confident	109 Å²	109	32.1 Å²	32.1	58%	0.583	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	32.6	-172.2	-62.2	-33.5	0	0	0	115.1	K133 N160	K133-N162 WeakPolarHBondContact CE-OD1 3.21Å; K133-N162 PolarHBondContact NZ-OD1 3.16Å; N160-N162 PolarHBondContact O-N 3.08Å
163	S	91.9	Very high	87.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	160	165.1	-52.7	0	0	0	0	111.5	I111 V134 N160 S161	I111-S163 CarbonylContact O-C 3.34Å; I111-S163 WeakPolarHBondContact O-CA 3.38Å; I111-S163 VanDerWaalsContact O-CB 3.3Å; I111-S163 WeakPolarHBondContact O-CB 3.05Å; V134-S163 PolarHBondContact N-O 3.08Å; V134-S163 VanDerWaalsContact N-O 3.1Å; N160-S163 VanDerWaalsContact O-CB 3.25Å; N160-S163 WeakPolarHBondContact O-CB 3.49Å; N160-S163 PolarHBondContact O-N 3.38Å; N160-S163 PolarHBondContact O-OG 3.19Å; S161-S163 VanDerWaalsContact C-N 3.27Å; S161-S163 PolarHBondContact O-N 3.44Å
164	Y	94.7	Very high	88.6	Confident	31 Å²	31	33.4 Å²	33.4	12%	0.122	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.2	176.6	-76	-103.9	0	0	0	110.1	L110 I111 T113 W123 V130 Q132 K133	L110-Y164 WeakPolarHBondContact CA-O 3.34Å; L110-Y164 WeakPolarHBondContact CD2-O 3.35Å; I111-Y164 PolarHBondContact N-O 3.44Å; I111-Y164 PolarHBondContact O-N 3.48Å; T113-Y164 HydrophobicContact CG2-CD2 3.53Å; T113-Y164 HydrophobicContact CG2-CE2 3.75Å; T113-Y164 HydrophobicContact CG2-CG 4.38Å; W123-Y164 HydrophobicContact CH2-CE1 4.47Å; V130-Y164 HydrophobicContact CG1-CD1 3.95Å; V130-Y164 HydrophobicContact CG1-CD2 4.44Å; V130-Y164 HydrophobicContact CG1-CG 3.82Å; V130-Y164 VanDerWaalsContact O-CD1 3.3Å; V130-Y164 WeakPolarHBondContact O-CD1 3.43Å; V130-Y164 WeakPolarHBondContact O-CE1 3.28Å; Q132-Y164 CarbonylContact O-C 3.54Å; Q132-Y164 VanDerWaalsContact O-CA 3.26Å; Q132-Y164 WeakPolarHBondContact O-CA 3.4Å; K133-Y164 HydrophobicContact CB-CD1 4.18Å; K133-Y164 HydrophobicContact CB-CE1 3.87Å; K133-Y164 HydrophobicContact CG-CE1 4.42Å; K133-Y164 HydrophobicContact CG-CE2 4.43Å
165	I	92.6	Very high	89.6	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.9	167.2	-55.9	166.2	0	0	0	106.6	L110 Q132 V134 V283 Y302 H303 I304	L110-I165 HydrophobicContact CD2-CB 4.34Å; L110-I165 HydrophobicContact CD2-CG1 3.46Å; L110-I165 VanDerWaalsContact CD2-CG1 3.46Å; L110-I165 HydrophobicContact CG-CG1 4.28Å; Q132-I165 HydrophobicContact CB-CB 4.33Å; Q132-I165 HydrophobicContact CG-CB 4Å; Q132-I165 HydrophobicContact CG-CD1 4.09Å; Q132-I165 HydrophobicContact CG-CG1 4.43Å; Q132-I165 PolarHBondContact O-N 3.36Å; V134-I165 HydrophobicContact CG2-CG1 4.17Å; I165-V283 HydrophobicContact CD1-CG2 4.08Å; I165-V283 HydrophobicContact CG1-CG2 4.35Å; I165-Y302 HydrophobicContact CG1-CG 4.36Å; I165-Y302 HydrophobicContact CG2-CD2 4.27Å; I165-Y302 HydrophobicContact CG2-CG 4.34Å; I165-H303 WeakPolarHBondContact CD1-O 3.32Å; I165-I304 HydrophobicContact CG2-CB 4.02Å; I165-I304 HydrophobicContact CG2-CD1 4.2Å
166	V	94.4	Very high	90.7	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.139	C	C	.	.			trans	-139.4	155.8	177.7	-54.5	0	0	0	0	111.4	A109 I111 V130 L168 L171	A109-V166 HydrophobicContact CB-CG2 3.65Å; A109-V166 WeakPolarHBondContact CB-O 3.49Å; A109-V166 PolarHBondContact O-N 3.42Å; I111-V166 HydrophobicContact CD1-CG1 3.83Å; I111-V166 HydrophobicContact CD1-CG2 4.11Å; I111-V166 HydrophobicContact CG1-CG1 4.11Å; I111-V166 HydrophobicContact CG1-CG2 4.38Å; I111-V166 HydrophobicContact CG2-CG2 4.07Å; V130-V166 HydrophobicContact CB-CG1 4.16Å; V130-V166 HydrophobicContact CG1-CG1 3.86Å; V130-V166 HydrophobicContact CG2-CG1 4.05Å; V166-L168 HydrophobicContact CG2-CD1 4.49Å; V166-L171 HydrophobicContact CG2-CD2 4.32Å
167	R	94.3	Very high	91.5	Very high	26 Å²	26	29.4 Å²	29.4	10%	0.098	15%	0.148	C	C	.	.			trans	-81.7	109.1	160.3	-75.6	-174.5	80.6	-170.1	-6.4	107.8	G169 H170 L171 E306 D574 G575	R167-G169 PolarHBondContact O-N 3.48Å; R167-H170 HydrophobicContact CB-CB 4.17Å; R167-H170 VanDerWaalsContact CZ-CE1 3.42Å; R167-H170 PolarHBondContact NH1-CE1 3.14Å; R167-H170 WeakPolarHBondContact O-CB 3.22Å; R167-H170 PolarHBondContact O-N 2.87Å; R167-H170 VanDerWaalsContact O-N 3.14Å; R167-L171 PolarHBondContact O-N 3.47Å; R167-E306 WeakPolarHBondContact CD-OE2 3.24Å; R167-E306 IonicContact CZ-OE2 2.68Å; R167-E306 IonicContact NE-OE2 2.7Å; R167-E306 IonicContact NH1-OE2 3.68Å; R167-E306 PolarHBondContact NH1-OE2 3.06Å; R167-D574 IonicContact CZ-OD2 3.16Å; R167-D574 IonicContact NH1-OD2 2.66Å; R167-D574 VanDerWaalsContact NH2-C 3.31Å; R167-D574 PolarHBondContact NH2-O 2.97Å; R167-D574 IonicContact NH2-OD2 2.73Å; R167-D574 PolarHBondContact NH2-OD2 3.25Å; R167-G575 WeakPolarHBondContact CB-O 3.49Å; R167-G575 VanDerWaalsContact CG-O 3.25Å; R167-G575 WeakPolarHBondContact CG-O 3.48Å; R167-G575 PolarHBondContact NE-O 2.87Å
168	L	95.4	Very high	92.6	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-71.5	-33.4	-168.7	-169.2	65	0	0	0	111.7	T105 A109 V166 H170 L171 V172 V361 M576	T105-L168 HydrophobicContact CG2-CB 3.77Å; T105-L168 HydrophobicContact CG2-CD2 3.75Å; T105-L168 HydrophobicContact CG2-CG 3.65Å; A109-L168 HydrophobicContact CB-CB 3.79Å; V166-L168 HydrophobicContact CG2-CD1 4.49Å; L168-H170 PolarHBondContact O-N 3.32Å; L168-L171 HydrophobicContact CD1-CB 4.37Å; L168-L171 HydrophobicContact CD1-CD2 4.2Å; L168-L171 PolarHBondContact O-N 3.26Å; L168-V172 HydrophobicContact CD1-CG2 4.35Å; L168-V172 HydrophobicContact CG-CG2 4.03Å; L168-V172 VanDerWaalsContact O-CB 3.32Å; L168-V172 WeakPolarHBondContact O-CB 3.42Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.05Å; L168-V361 HydrophobicContact CD1-CG1 3.74Å; L168-V361 HydrophobicContact CD1-CG2 4.12Å; L168-V361 HydrophobicContact CD2-CG1 4.49Å; L168-V361 HydrophobicContact CD2-CG2 3.75Å; L168-M576 CarbonylContact C-O 3.43Å; L168-M576 WeakPolarHBondContact CA-O 3.36Å; L168-M576 WeakPolarHBondContact CB-O 3.46Å; L168-M576 PolarHBondContact N-O 2.66Å
169	G	96.3	Very high	93.6	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-52.4	-41.2	169.1	0	0	0	0	0	112.7	R167 K173 M576	R167-G169 PolarHBondContact O-N 3.48Å; G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 PolarHBondContact O-N 3.3Å; G169-M576 PolarHBondContact N-O 3.06Å
170	H	97.1	Very high	94.4	Very high	40 Å²	40	30.6 Å²	30.6	19%	0.185	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-45.5	176.8	-64.6	178.5	0	0	0	111.9	P129 R167 L168 V172 K173 W174 E306 D574 G575	P129-H170 HydrophobicContact CB-CB 4.18Å; P129-H170 HydrophobicContact CG-CB 3.96Å; R167-H170 HydrophobicContact CB-CB 4.17Å; R167-H170 VanDerWaalsContact CZ-CE1 3.42Å; R167-H170 PolarHBondContact NH1-CE1 3.14Å; R167-H170 WeakPolarHBondContact O-CB 3.22Å; R167-H170 PolarHBondContact O-N 2.87Å; R167-H170 VanDerWaalsContact O-N 3.14Å; L168-H170 PolarHBondContact O-N 3.32Å; H170-V172 VanDerWaalsContact C-N 3.33Å; H170-V172 PolarHBondContact O-N 2.87Å; H170-K173 PolarHBondContact O-N 2.98Å; H170-W174 PolarHBondContact O-N 3.02Å; H170-E306 IonicContact CE1-OE1 3.59Å; H170-E306 PolarHBondContact CE1-OE1 3.29Å; H170-E306 IonicContact CE1-OE2 2.83Å; H170-E306 PolarHBondContact CE1-OE2 3.28Å; H170-E306 VanDerWaalsContact CE1-OE2 3.28Å; H170-E306 IonicContact ND1-OE1 2.83Å; H170-E306 PolarHBondContact ND1-OE1 3.28Å; H170-E306 IonicContact ND1-OE2 3.8Å; H170-D574 IonicContact CD2-OD1 2.75Å; H170-D574 IonicContact NE2-OD1 3.28Å; H170-D574 PolarHBondContact NE2-OD1 2.76Å; H170-D574 IonicContact NE2-OD2 3.72Å; H170-G575 WeakPolarHBondContact CD2-CA 3.37Å; H170-G575 WeakPolarHBondContact NE2-CA 3.01Å
171	L	97.1	Very high	95.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-34.6	177.9	-179.4	59.6	0	0	0	112.4	I111 P129 V130 V166 R167 L168 W174 L175	I111-L171 HydrophobicContact CD1-CD2 3.75Å; P129-L171 HydrophobicContact CG-CB 4.23Å; P129-L171 HydrophobicContact CG-CD1 4.46Å; V130-L171 HydrophobicContact CG2-CD1 3.79Å; V130-L171 HydrophobicContact CG2-CD2 4.12Å; V166-L171 HydrophobicContact CG2-CD2 4.32Å; R167-L171 PolarHBondContact O-N 3.47Å; L168-L171 HydrophobicContact CD1-CB 4.37Å; L168-L171 HydrophobicContact CD1-CD2 4.2Å; L168-L171 PolarHBondContact O-N 3.26Å; L171-W174 HydrophobicContact CD1-CE3 4.05Å; L171-L175 HydrophobicContact CG-CD1 4.4Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.28Å
172	V	98	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-41.2	174	165.4	0	0	0	0	110.9	A68 P70 L73 V101 T105 L168 H170 L175 G176	A68-V172 VanDerWaalsContact O-CG1 3.27Å; A68-V172 WeakPolarHBondContact O-CG1 3.35Å; P70-V172 HydrophobicContact CB-CG2 4.33Å; P70-V172 HydrophobicContact CG-CG2 4.49Å; L73-V172 HydrophobicContact CD1-CG1 3.9Å; L73-V172 VanDerWaalsContact CD1-O 3.23Å; L73-V172 WeakPolarHBondContact CD1-O 3.24Å; V101-V172 HydrophobicContact CG1-CG1 4.03Å; T105-V172 HydrophobicContact CG2-CG2 4.16Å; L168-V172 HydrophobicContact CD1-CG2 4.35Å; L168-V172 HydrophobicContact CG-CG2 4.03Å; L168-V172 VanDerWaalsContact O-CB 3.32Å; L168-V172 WeakPolarHBondContact O-CB 3.42Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.05Å; H170-V172 VanDerWaalsContact C-N 3.33Å; H170-V172 PolarHBondContact O-N 2.87Å; V172-L175 PolarHBondContact O-N 3.49Å; V172-G176 PolarHBondContact O-N 3.28Å
173	K	98.1	Very high	96.8	Very high	110 Å²	110	32.1 Å²	32.1	48%	0.478	16%	0.159	S	C	.	.	H	α-helix	trans	-60.7	-48.4	172.8	-174.1	-175.1	174.3	-166.7	0	111.9	G169 H170 L175 G176 E177	G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 PolarHBondContact O-N 3.3Å; H170-K173 PolarHBondContact O-N 2.98Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 2.87Å; K173-G176 VanDerWaalsContact O-CA 3.29Å; K173-G176 WeakPolarHBondContact O-CA 3.48Å; K173-G176 PolarHBondContact O-N 2.91Å; K173-E177 WeakPolarHBondContact CE-OE1 3.47Å; K173-E177 IonicContact NZ-OE1 3.76Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.15Å
174	W	98.3	Very high	97.1	Very high	14 Å²	14	32.5 Å²	32.5	5%	0.053	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-38.6	175.7	178.9	88.8	0	0	0	112.4	L116 F120 W123 L126 A128 P129 H170 L171 G176 E177 K178	L116-W174 HydrophobicContact CD1-CH2 4.46Å; L116-W174 HydrophobicContact CD1-CZ3 3.94Å; F120-W174 HydrophobicContact CB-CH2 4.31Å; F120-W174 AromaticContact CD2-CH2 3.7Å; F120-W174 HydrophobicContact CD2-CH2 3.7Å; F120-W174 AromaticContact CD2-CZ3 3.86Å; F120-W174 HydrophobicContact CD2-CZ3 3.86Å; F120-W174 HydrophobicContact CE2-CH2 4.11Å; F120-W174 HydrophobicContact CE2-CZ3 4.06Å; F120-W174 AromaticContact CG-CH2 3.98Å; F120-W174 HydrophobicContact CG-CH2 3.98Å; W123-W174 HydrophobicContact CB-CH2 4.27Å; L126-W174 HydrophobicContact CB-CZ2 3.83Å; L126-W174 PolarHBondContact O-NE1 3.42Å; A128-W174 HydrophobicContact CB-CD2 3.78Å; A128-W174 HydrophobicContact CB-CE3 3.92Å; A128-W174 HydrophobicContact CB-CH2 3.78Å; A128-W174 HydrophobicContact CB-CZ2 3.59Å; A128-W174 HydrophobicContact CB-CZ3 3.93Å; P129-W174 HydrophobicContact CG-CB 4.28Å; H170-W174 PolarHBondContact O-N 3.02Å; L171-W174 HydrophobicContact CD1-CE3 4.05Å; W174-G176 VanDerWaalsContact C-N 3.27Å; W174-G176 PolarHBondContact O-N 3.49Å; W174-E177 PolarHBondContact O-N 3.1Å; W174-K178 HydrophobicContact CD2-CG 4.02Å; W174-K178 HydrophobicContact CE3-CG 4.25Å; W174-K178 HydrophobicContact CH2-CG 3.99Å; W174-K178 HydrophobicContact CZ2-CD 4.1Å; W174-K178 HydrophobicContact CZ2-CG 3.74Å; W174-K178 HydrophobicContact CZ3-CG 4.24Å; W174-K178 WeakPolarHBondContact O-CB 3.42Å; W174-K178 VanDerWaalsContact O-CG 3.26Å; W174-K178 WeakPolarHBondContact O-CG 3.35Å; W174-K178 PolarHBondContact O-N 2.99Å
175	L	98.6	Very high	97.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-27.5	171.4	-74.4	170.2	0	0	0	112.6	L73 I77 L119 F120 L171 V172 K173 A179 M365	L73-L175 HydrophobicContact CB-CB 4.02Å; L73-L175 HydrophobicContact CD1-CB 3.71Å; L73-L175 HydrophobicContact CG-CB 4.43Å; I77-L175 HydrophobicContact CD1-CB 4.37Å; I77-L175 HydrophobicContact CD1-CD2 3.84Å; I77-L175 WeakPolarHBondContact CD1-O 3.04Å; L119-L175 HydrophobicContact CD2-CD2 4.03Å; F120-L175 HydrophobicContact CD2-CD2 4.45Å; F120-L175 HydrophobicContact CE2-CD2 3.96Å; L171-L175 HydrophobicContact CG-CD1 4.4Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.28Å; V172-L175 PolarHBondContact O-N 3.49Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 2.87Å; L175-A179 WeakPolarHBondContact O-CB 3.5Å; L175-A179 PolarHBondContact O-N 3.02Å; L175-A179 VanDerWaalsContact O-N 3.1Å; L175-M365 HydrophobicContact CD1-CE 4.37Å
176	G	98.6	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-54.4	169.9	0	0	0	0	0	111.9	V172 K173 W174 K178 A179 E180	V172-G176 PolarHBondContact O-N 3.28Å; K173-G176 VanDerWaalsContact O-CA 3.29Å; K173-G176 WeakPolarHBondContact O-CA 3.48Å; K173-G176 PolarHBondContact O-N 2.91Å; W174-G176 VanDerWaalsContact C-N 3.27Å; W174-G176 PolarHBondContact O-N 3.49Å; G176-K178 PolarHBondContact O-N 2.93Å; G176-A179 WeakPolarHBondContact O-CA 3.47Å; G176-A179 WeakPolarHBondContact O-CB 3.33Å; G176-A179 PolarHBondContact O-N 2.84Å; G176-E180 PolarHBondContact O-N 2.98Å
177	E	98.4	Very high	97.7	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	18%	0.183	S	C	.	.	H	α-helix	trans	-52.6	-43.9	176.3	-65.3	161.3	-179.9	0	0	110.9	K173 W174 A179 E180 E181	K173-E177 WeakPolarHBondContact CE-OE1 3.47Å; K173-E177 IonicContact NZ-OE1 3.76Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.15Å; W174-E177 PolarHBondContact O-N 3.1Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 2.95Å; E177-E180 PolarHBondContact O-N 3.04Å; E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 WeakPolarHBondContact O-CG 3.19Å; E177-E181 PolarHBondContact O-N 3.31Å
178	K	98.3	Very high	97.9	Very high	26 Å²	26	38.2 Å²	38.2	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-73.8	-17.3	176.1	-61.7	-66.9	161.7	-137.4	0	115.2	F120 W174 G176 E181 L182	F120-K178 HydrophobicContact CE1-CB 4.28Å; F120-K178 HydrophobicContact CE2-CB 4.18Å; F120-K178 HydrophobicContact CZ-CB 3.62Å; F120-K178 HydrophobicContact CZ-CG 4.23Å; W174-K178 HydrophobicContact CD2-CG 4.02Å; W174-K178 HydrophobicContact CE3-CG 4.25Å; W174-K178 HydrophobicContact CH2-CG 3.99Å; W174-K178 HydrophobicContact CZ2-CD 4.1Å; W174-K178 HydrophobicContact CZ2-CG 3.74Å; W174-K178 HydrophobicContact CZ3-CG 4.24Å; W174-K178 WeakPolarHBondContact O-CB 3.42Å; W174-K178 VanDerWaalsContact O-CG 3.26Å; W174-K178 WeakPolarHBondContact O-CG 3.35Å; W174-K178 PolarHBondContact O-N 2.99Å; G176-K178 PolarHBondContact O-N 2.93Å; K178-E181 WeakPolarHBondContact CD-OE2 3.49Å; K178-E181 IonicContact NZ-OE1 2.7Å; K178-E181 PolarHBondContact NZ-OE1 3.29Å; K178-E181 IonicContact NZ-OE2 3.39Å; K178-E181 PolarHBondContact NZ-OE2 2.91Å; K178-L182 WeakPolarHBondContact O-CD1 3.44Å; K178-L182 WeakPolarHBondContact O-CG 3.33Å
179	A	98.6	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-79.5	-43.9	170.3	0	0	0	0	0	110.5	L73 I77 L175 G176 E177 L182 G183 V184	L73-A179 HydrophobicContact CD2-CB 4.09Å; I77-A179 HydrophobicContact CD1-CB 4.34Å; I77-A179 HydrophobicContact CG1-CB 3.88Å; L175-A179 WeakPolarHBondContact O-CB 3.5Å; L175-A179 PolarHBondContact O-N 3.02Å; L175-A179 VanDerWaalsContact O-N 3.1Å; G176-A179 WeakPolarHBondContact O-CA 3.47Å; G176-A179 WeakPolarHBondContact O-CB 3.33Å; G176-A179 PolarHBondContact O-N 2.84Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 2.95Å; A179-L182 CarbonylContact O-C 3.44Å; A179-L182 PolarHBondContact O-N 3.02Å; A179-L182 VanDerWaalsContact O-N 3.1Å; A179-G183 PolarHBondContact O-N 2.68Å; A179-V184 HydrophobicContact CB-CB 3.98Å; A179-V184 HydrophobicContact CB-CG1 4.4Å; A179-V184 HydrophobicContact CB-CG2 3.96Å; A179-V184 VanDerWaalsContact O-CB 3.29Å; A179-V184 WeakPolarHBondContact O-CB 3.5Å; A179-V184 WeakPolarHBondContact O-CG2 3.42Å; A179-V184 PolarHBondContact O-N 3.01Å
180	E	98.3	Very high	98	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-41.9	176.7	-67	176.5	102.4	0	0	111.6	G176 E177 L182 G183 L186	G176-E180 PolarHBondContact O-N 2.98Å; E177-E180 PolarHBondContact O-N 3.04Å; E180-L182 PolarHBondContact O-N 2.81Å; E180-L182 VanDerWaalsContact O-N 3.15Å; E180-G183 PolarHBondContact O-N 2.81Å; E180-L186 HydrophobicContact CG-CB 3.85Å; E180-L186 HydrophobicContact CG-CD2 3.8Å; E180-L186 HydrophobicContact CG-CG 4.43Å
181	E	97.9	Very high	98	Very high	127 Å²	127	42.3 Å²	42.3	59%	0.593	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.2	171.4	-79.8	172.7	-144.7	0	0	113.8	E177 K178	E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 WeakPolarHBondContact O-CG 3.19Å; E177-E181 PolarHBondContact O-N 3.31Å; K178-E181 WeakPolarHBondContact CD-OE2 3.49Å; K178-E181 IonicContact NZ-OE1 2.7Å; K178-E181 PolarHBondContact NZ-OE1 3.29Å; K178-E181 IonicContact NZ-OE2 3.39Å; K178-E181 PolarHBondContact NZ-OE2 2.91Å
182	L	97.6	Very high	98	Very high	61 Å²	61	42.5 Å²	42.5	32%	0.319	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.8	177	-70.2	172.7	0	0	0	113.3	I77 K80 Q81 K178 A179 E180	I77-L182 HydrophobicContact CB-CD1 4.31Å; I77-L182 HydrophobicContact CG1-CD1 4.38Å; I77-L182 HydrophobicContact CG2-CD1 3.76Å; K80-L182 HydrophobicContact CB-CB 3.94Å; K80-L182 WeakPolarHBondContact CE-O 3.19Å; K80-L182 HydrophobicContact CG-CB 4.5Å; Q81-L182 HydrophobicContact CG-CD1 4.22Å; K178-L182 WeakPolarHBondContact O-CD1 3.44Å; K178-L182 WeakPolarHBondContact O-CG 3.33Å; A179-L182 CarbonylContact O-C 3.44Å; A179-L182 PolarHBondContact O-N 3.02Å; A179-L182 VanDerWaalsContact O-N 3.1Å; E180-L182 PolarHBondContact O-N 2.81Å; E180-L182 VanDerWaalsContact O-N 3.15Å
183	G	97.8	Very high	97.9	Very high	39 Å²	39	43.5 Å²	43.5	40%	0.402	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	39.3	-178.8	0	0	0	0	0	113.6	K80 A179 E180	K80-G183 WeakPolarHBondContact CE-O 3.12Å; K80-G183 PolarHBondContact NZ-O 2.99Å; A179-G183 PolarHBondContact O-N 2.68Å; E180-G183 PolarHBondContact O-N 2.81Å
184	V	98.6	Very high	97.8	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	22%	0.216	C	C	.	.			trans	-84.6	134.3	160.6	179.1	0	0	0	0	108.8	A76 K80 V92 I94 A179 L186	A76-V184 HydrophobicContact CB-CG1 3.91Å; A76-V184 HydrophobicContact CB-CG2 3.81Å; K80-V184 HydrophobicContact CD-CG2 4.43Å; K80-V184 HydrophobicContact CG-CG2 3.53Å; V92-V184 HydrophobicContact CG1-CG1 4.36Å; I94-V184 HydrophobicContact CD1-CG1 3.84Å; I94-V184 HydrophobicContact CG1-CG1 3.68Å; A179-V184 HydrophobicContact CB-CB 3.98Å; A179-V184 HydrophobicContact CB-CG1 4.4Å; A179-V184 HydrophobicContact CB-CG2 3.96Å; A179-V184 VanDerWaalsContact O-CB 3.29Å; A179-V184 WeakPolarHBondContact O-CB 3.5Å; A179-V184 WeakPolarHBondContact O-CG2 3.42Å; A179-V184 PolarHBondContact O-N 3.01Å; V184-L186 PolarHBondContact O-N 3.34Å
185	E	98.5	Very high	97.7	Very high	55 Å²	55	42.2 Å²	42.2	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.7	173.6	-66.9	165.3	-138.6	0	0	109.1	R91 V92 C93 I94 Y187	R91-E185 WeakPolarHBondContact CG-OE1 3.43Å; R91-E185 IonicContact CZ-OE1 2.63Å; R91-E185 IonicContact CZ-OE2 3.63Å; R91-E185 IonicContact NE-OE1 2.57Å; R91-E185 PolarHBondContact NE-OE1 2.99Å; R91-E185 IonicContact NE-OE2 2.72Å; R91-E185 PolarHBondContact NE-OE2 2.99Å; R91-E185 VanDerWaalsContact NE-OE2 3.12Å; R91-E185 IonicContact NH2-OE1 3.86Å; R91-E185 IonicContact NH2-OE2 3.29Å; R91-E185 PolarHBondContact NH2-OE2 3.02Å; V92-E185 PolarHBondContact O-N 2.94Å; C93-E185 CarbonylContact C-O 3.53Å; C93-E185 WeakPolarHBondContact CA-O 3.31Å; I94-E185 PolarHBondContact N-O 2.91Å; E185-Y187 HydrophobicContact CB-CE2 3.69Å
186	L	98.1	Very high	97.6	Very high	18 Å²	18	43 Å²	43	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.5	-169.2	-175.5	46.4	0	0	0	110.8	A68 L73 I94 V101 E180 V184 P188	A68-L186 HydrophobicContact CB-CD1 4.1Å; L73-L186 HydrophobicContact CD2-CD2 4.45Å; I94-L186 HydrophobicContact CB-CD1 3.78Å; I94-L186 HydrophobicContact CD1-CD1 4.22Å; I94-L186 HydrophobicContact CG1-CD1 4.45Å; I94-L186 HydrophobicContact CG2-CD1 4.09Å; V101-L186 HydrophobicContact CG2-CD1 4.14Å; V101-L186 HydrophobicContact CG2-CD2 3.65Å; V101-L186 HydrophobicContact CG2-CG 3.91Å; E180-L186 HydrophobicContact CG-CB 3.85Å; E180-L186 HydrophobicContact CG-CD2 3.8Å; E180-L186 HydrophobicContact CG-CG 4.43Å; V184-L186 PolarHBondContact O-N 3.34Å; L186-P188 VanDerWaalsContact C-CD 3.45Å; L186-P188 WeakPolarHBondContact O-CD 3.25Å
187	Y	98	Very high	97.3	Very high	70 Å²	70	46.5 Å²	46.5	28%	0.275	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	78.6	-173.7	-63.3	-79	0	0	0	111.7	C93 I94 E96 E185 Y190	C93-Y187 VanDerWaalsContact SG-CD2 3.52Å; I94-Y187 PolarHBondContact O-N 2.88Å; E96-Y187 PolarHBondContact N-O 3.04Å; E185-Y187 HydrophobicContact CB-CE2 3.69Å; Y187-Y190 HydrophobicContact CD1-CE2 4.4Å
188	P	97.7	Very high	97	Very high	41 Å²	41	44.6 Å²	44.6	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	150.9	165.3	32.3	-34.5	0	0	0	110.4	E96 A98 V101 L186 Y190	E96-P188 CarbonylContact O-C 3.33Å; A98-P188 CarbonylContact O-C 3.43Å; A98-P188 WeakPolarHBondContact O-CA 3.32Å; A98-P188 WeakPolarHBondContact O-CB 3.18Å; V101-P188 HydrophobicContact CG2-CB 4.46Å; L186-P188 VanDerWaalsContact C-CD 3.45Å; L186-P188 WeakPolarHBondContact O-CD 3.25Å; P188-Y190 VanDerWaalsContact C-N 3.33Å; P188-Y190 WeakPolarHBondContact O-CD2 3.39Å
189	G	96.6	Very high	96.6	Very high	20 Å²	20	54 Å²	54	21%	0.206	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-2.4	-173.7	0	0	0	0	0	114.6	E96 A98 G567 G568	E96-G189 PolarHBondContact O-N 3.35Å; A98-G189 PolarHBondContact O-N 2.7Å; G189-G567 CarbonylContact O-C 3.55Å; G189-G567 WeakPolarHBondContact O-CA 3.26Å; G189-G568 PolarHBondContact O-N 3.26Å
190	Y	97.2	Very high	96.1	Very high	116 Å²	116	58.3 Å²	58.3	46%	0.455	30%	0.299	S	S	.	.			trans	-111.8	109.1	-178.9	-65.9	-94.6	0	0	0	110.3	E96 Y187 P188 T208	E96-Y190 CarbonylContact C-O 3.57Å; E96-Y190 PolarHBondContact N-O 2.87Å; E96-Y190 CarbonylContact O-C 3.52Å; E96-Y190 PolarHBondContact O-N 2.7Å; Y187-Y190 HydrophobicContact CD1-CE2 4.4Å; P188-Y190 VanDerWaalsContact C-N 3.33Å; P188-Y190 WeakPolarHBondContact O-CD2 3.39Å; Y190-T208 HydrophobicContact CD1-CG2 4.16Å
191	A	96.9	Very high	95.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.29	C	S	.	.			trans	-88	123	176.8	0	0	0	0	0	110.1	K97 A193 T208 N209 T564	K97-A191 HydrophobicContact CB-CB 4.21Å; K97-A191 HydrophobicContact CD-CB 4.46Å; K97-A191 HydrophobicContact CG-CB 3.8Å; A191-A193 PolarHBondContact O-N 2.73Å; A191-T208 CarbonylContact O-C 3.55Å; A191-T208 VanDerWaalsContact O-CA 3.23Å; A191-T208 WeakPolarHBondContact O-CA 3.35Å; A191-N209 HydrophobicContact CB-CB 4.34Å; A191-N209 WeakPolarHBondContact CB-OD1 3.48Å; A191-N209 PolarHBondContact N-OD1 2.82Å; A191-N209 PolarHBondContact O-N 2.79Å; A191-N209 PolarHBondContact O-OD1 3.48Å; A191-T564 HydrophobicContact CB-CG2 3.87Å
192	A	97.1	Very high	95.2	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	120.6	166.1	0	0	0	0	0	109.2	V66 V95 I206 H243 L244	V66-A192 HydrophobicContact CB-CB 4.45Å; V66-A192 HydrophobicContact CG1-CB 3.65Å; V66-A192 HydrophobicContact CG2-CB 3.96Å; V95-A192 HydrophobicContact CG2-CB 3.98Å; A192-I206 HydrophobicContact CB-CB 4.09Å; A192-I206 HydrophobicContact CB-CD1 3.86Å; A192-I206 HydrophobicContact CB-CG1 3.94Å; A192-I206 HydrophobicContact CB-CG2 4.34Å; A192-H243 PolarHBondContact O-CE1 3.1Å; A192-L244 HydrophobicContact CB-CD1 3.7Å
193	A	97	Very high	95	Very high	21 Å²	21	49.3 Å²	49.3	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-16.3	-173	0	0	0	0	0	113.4	A191 A207 N209 T564	A191-A193 PolarHBondContact O-N 2.73Å; A193-A207 PolarHBondContact N-O 3.19Å; A193-N209 HydrophobicContact CB-CB 4.08Å; A193-T564 WeakPolarHBondContact CB-OG1 3.39Å
194	E	96.3	Very high	94.8	Very high	83 Å²	83	49.3 Å²	49.3	39%	0.388	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.3	-177.1	-171.1	178.7	173.5	0	0	109.7	R56 I206 A207	R56-E194 IonicContact CZ-OE2 2.73Å; R56-E194 IonicContact NE-OE2 3.97Å; R56-E194 IonicContact NH2-OE2 3.72Å; R56-E194 PolarHBondContact NH2-OE2 3.37Å; E194-I206 CarbonylContact O-C 3.56Å; E194-I206 WeakPolarHBondContact O-CA 3.42Å; E194-I206 VanDerWaalsContact O-CB 3.32Å; E194-I206 WeakPolarHBondContact O-CB 3.38Å; E194-A207 HydrophobicContact CB-CB 4.16Å; E194-A207 PolarHBondContact N-O 2.7Å; E194-A207 PolarHBondContact O-N 2.99Å
195	V	95.4	Very high	94.6	Very high	15 Å²	15	49 Å²	49	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.9	171.6	-178.1	0	0	0	0	108.5	Y197 V203 F236 L244	V195-Y197 HydrophobicContact CB-CE2 3.82Å; V195-Y197 HydrophobicContact CG1-CD1 4.49Å; V195-Y197 HydrophobicContact CG1-CD2 4.46Å; V195-Y197 HydrophobicContact CG1-CE1 3.86Å; V195-Y197 HydrophobicContact CG1-CE2 3.81Å; V195-Y197 VanDerWaalsContact CG1-CZ 3.45Å; V195-Y197 VanDerWaalsContact O-CD2 3.26Å; V195-Y197 WeakPolarHBondContact O-CD2 3.21Å; V195-Y197 WeakPolarHBondContact O-CE2 3.28Å; V195-V203 HydrophobicContact CG1-CB 4.49Å; V195-V203 HydrophobicContact CG1-CG1 3.81Å; V195-V203 HydrophobicContact CG1-CG2 3.98Å; V195-F236 HydrophobicContact CG1-CZ 4.04Å; V195-F236 HydrophobicContact CG2-CE1 3.9Å; V195-F236 HydrophobicContact CG2-CZ 3.96Å; V195-L244 HydrophobicContact CG2-CB 3.84Å; V195-L244 HydrophobicContact CG2-CD1 4.07Å; V195-L244 HydrophobicContact CG2-CD2 4.15Å; V195-L244 HydrophobicContact CG2-CG 4.23Å
196	L	95.6	Very high	94.6	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.8	176.3	-57.5	177.1	0	0	0	109.8	V203 N204 G205 I206 A207 E228 R230	L196-V203 WeakPolarHBondContact O-CA 3.46Å; L196-N204 PolarHBondContact O-N 2.71Å; L196-G205 PolarHBondContact N-O 2.81Å; L196-I206 VanDerWaalsContact CD1-O 3.28Å; L196-I206 WeakPolarHBondContact CD1-O 3.39Å; L196-A207 HydrophobicContact CD2-CB 4.36Å; L196-E228 HydrophobicContact CD1-CB 3.69Å; L196-E228 HydrophobicContact CD1-CG 3.74Å; L196-E228 HydrophobicContact CD2-CG 4.39Å; L196-R230 HydrophobicContact CD1-CG 4.27Å
197	Y	93.9	Very high	94.6	Very high	72 Å²	72	45.5 Å²	45.5	28%	0.282	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.6	178.2	-58.3	-86.4	0	0	0	110.3	V195 G201 S202 V203 L248 K251 M252	V195-Y197 HydrophobicContact CB-CE2 3.82Å; V195-Y197 HydrophobicContact CG1-CD1 4.49Å; V195-Y197 HydrophobicContact CG1-CD2 4.46Å; V195-Y197 HydrophobicContact CG1-CE1 3.86Å; V195-Y197 HydrophobicContact CG1-CE2 3.81Å; V195-Y197 VanDerWaalsContact CG1-CZ 3.45Å; V195-Y197 VanDerWaalsContact O-CD2 3.26Å; V195-Y197 WeakPolarHBondContact O-CD2 3.21Å; V195-Y197 WeakPolarHBondContact O-CE2 3.28Å; Y197-G201 VanDerWaalsContact CD1-O 3.3Å; Y197-G201 WeakPolarHBondContact CD1-O 3.42Å; Y197-S202 CarbonylContact C-O 3.56Å; Y197-S202 WeakPolarHBondContact CA-O 3.24Å; Y197-V203 HydrophobicContact CD1-CG2 4.07Å; Y197-V203 HydrophobicContact CE1-CG2 3.73Å; Y197-L248 HydrophobicContact CE1-CD1 4.12Å; Y197-K251 HydrophobicContact CE1-CD 3.81Å; Y197-K251 HydrophobicContact CE2-CD 4.23Å; Y197-K251 VanDerWaalsContact CE2-NZ 3.28Å; Y197-K251 VanDerWaalsContact CZ-NZ 3.25Å; Y197-M252 HydrophobicContact CD1-CE 4.4Å; Y197-M252 HydrophobicContact CE1-CE 4.06Å
198	D	90.8	Very high	94.6	Very high	35 Å²	35	42.5 Å²	42.5	19%	0.187	23%	0.231	C	C	.	.			trans	-81.9	-177.9	172.1	74.1	21.1	0	0	0	112.2	S200 G201 S202 N204 T388	D198-S200 PolarHBondContact O-N 3.41Å; D198-S200 WeakPolarHBondContact OD1-CA 3.42Å; D198-S200 VanDerWaalsContact OD1-CB 3.29Å; D198-S200 WeakPolarHBondContact OD1-CB 3.19Å; D198-S200 PolarHBondContact OD1-N 2.81Å; D198-S200 PolarHBondContact OD1-OG 3.16Å; D198-S200 PolarHBondContact OD2-OG 2.76Å; D198-G201 PolarHBondContact O-N 3.32Å; D198-G201 PolarHBondContact OD1-N 2.77Å; D198-S202 PolarHBondContact N-O 2.83Å; D198-S202 PolarHBondContact OD1-N 2.7Å; D198-N204 HydrophobicContact CB-CB 4.05Å; D198-T388 PolarHBondContact OD2-OG1 3.34Å
199	K	90.3	Very high	94.5	Very high	225 Å²	225	41 Å²	41	98%	0.978	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.3	-179.1	-63.3	-179.9	-178.1	175.7	0	114.4
200	S	89.1	Confident	94.5	Very high	90 Å²	90	40.3 Å²	40.3	63%	0.629	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.6	170.7	76.3	0	0	0	0	112.5	D198 S202	D198-S200 PolarHBondContact O-N 3.41Å; D198-S200 WeakPolarHBondContact OD1-CA 3.42Å; D198-S200 VanDerWaalsContact OD1-CB 3.29Å; D198-S200 WeakPolarHBondContact OD1-CB 3.19Å; D198-S200 PolarHBondContact OD1-N 2.81Å; D198-S200 PolarHBondContact OD1-OG 3.16Å; D198-S200 PolarHBondContact OD2-OG 2.76Å; S200-S202 WeakPolarHBondContact OG-CB 3.12Å; S200-S202 PolarHBondContact OG-N 2.84Å; S200-S202 PolarHBondContact OG-OG 2.71Å
201	G	89	Confident	94.4	Very high	29 Å²	29	37.4 Å²	37.4	30%	0.299	21%	0.207	S	C	.	.	S	Bend	trans	92.3	-3.6	-171.7	0	0	0	0	0	113.9	Y197 D198 M252	Y197-G201 VanDerWaalsContact CD1-O 3.3Å; Y197-G201 WeakPolarHBondContact CD1-O 3.42Å; D198-G201 PolarHBondContact O-N 3.32Å; D198-G201 PolarHBondContact OD1-N 2.77Å; G201-M252 WeakPolarHBondContact O-CE 3.36Å
202	S	88.4	Confident	94.4	Very high	47 Å²	47	37.7 Å²	37.7	33%	0.329	21%	0.209	S	C	.	.			trans	-64.3	152.1	173.8	-57.5	0	0	0	0	111.4	Y197 D198 S200 N204	Y197-S202 CarbonylContact C-O 3.56Å; Y197-S202 WeakPolarHBondContact CA-O 3.24Å; D198-S202 PolarHBondContact N-O 2.83Å; D198-S202 PolarHBondContact OD1-N 2.7Å; S200-S202 WeakPolarHBondContact OG-CB 3.12Å; S200-S202 PolarHBondContact OG-N 2.84Å; S200-S202 PolarHBondContact OG-OG 2.71Å; S202-N204 PolarHBondContact O-N 3.45Å
203	V	92.4	Very high	94.4	Very high	29 Å²	29	37.8 Å²	37.8	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126	175.1	177.2	0	0	0	0	109.5	V195 L196 Y197 T234 F236 L248 T388	V195-V203 HydrophobicContact CG1-CB 4.49Å; V195-V203 HydrophobicContact CG1-CG1 3.81Å; V195-V203 HydrophobicContact CG1-CG2 3.98Å; L196-V203 WeakPolarHBondContact O-CA 3.46Å; Y197-V203 HydrophobicContact CD1-CG2 4.07Å; Y197-V203 HydrophobicContact CE1-CG2 3.73Å; V203-T234 HydrophobicContact CG1-CG2 4.25Å; V203-F236 HydrophobicContact CG1-CE2 4.23Å; V203-F236 HydrophobicContact CG1-CZ 4.21Å; V203-L248 HydrophobicContact CG2-CD1 3.7Å; V203-T388 WeakPolarHBondContact O-CG2 3.5Å
204	N	93	Very high	94.4	Very high	39 Å²	39	37.2 Å²	37.2	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	7.7	-175.7	-169.4	54.8	0	0	0	112.9	L196 D198 S202 R230 A231 T388	L196-N204 PolarHBondContact O-N 2.71Å; D198-N204 HydrophobicContact CB-CB 4.05Å; S202-N204 PolarHBondContact O-N 3.45Å; N204-R230 CarbonylContact O-C 3.52Å; N204-R230 VanDerWaalsContact O-CA 3.25Å; N204-R230 WeakPolarHBondContact O-CA 3.43Å; N204-A231 CarbonylContact C-O 3.58Å; N204-A231 PolarHBondContact O-N 3.29Å; N204-T388 HydrophobicContact CB-CG2 4.25Å
205	G	95.8	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-162.3	-177.1	0	0	0	0	0	113.7	L196 L229 T234	L196-G205 PolarHBondContact N-O 2.81Å; G205-L229 WeakPolarHBondContact CA-O 3.38Å; G205-T234 VanDerWaalsContact CA-OG1 3.31Å; G205-T234 WeakPolarHBondContact CA-OG1 3.38Å; G205-T234 PolarHBondContact N-OG1 3.15Å
206	I	97.8	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.9	171.3	57.7	81.5	0	0	0	110.5	V64 V66 V95 A192 E194 L196 L229 T234 F236 L244	V64-I206 HydrophobicContact CG1-CG1 4.38Å; V64-I206 HydrophobicContact CG2-CG1 4.19Å; V66-I206 HydrophobicContact CG2-CG1 4.25Å; V66-I206 HydrophobicContact CG2-CG2 3.88Å; V95-I206 HydrophobicContact CG2-CD1 4.13Å; A192-I206 HydrophobicContact CB-CB 4.09Å; A192-I206 HydrophobicContact CB-CD1 3.86Å; A192-I206 HydrophobicContact CB-CG1 3.94Å; A192-I206 HydrophobicContact CB-CG2 4.34Å; E194-I206 CarbonylContact O-C 3.56Å; E194-I206 WeakPolarHBondContact O-CA 3.42Å; E194-I206 VanDerWaalsContact O-CB 3.32Å; E194-I206 WeakPolarHBondContact O-CB 3.38Å; L196-I206 VanDerWaalsContact CD1-O 3.28Å; L196-I206 WeakPolarHBondContact CD1-O 3.39Å; I206-L229 HydrophobicContact CD1-CB 4.08Å; I206-L229 HydrophobicContact CD1-CD1 4.08Å; I206-L229 PolarHBondContact N-O 2.96Å; I206-L229 PolarHBondContact O-N 3.36Å; I206-T234 HydrophobicContact CG2-CG2 4.03Å; I206-F236 HydrophobicContact CG2-CE1 4.17Å; I206-F236 HydrophobicContact CG2-CZ 4.41Å; I206-L244 HydrophobicContact CG2-CD1 4.15Å
207	A	98.1	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146.7	157.3	0	0	0	0	0	110.6	A193 E194 L196 M227 E228	A193-A207 PolarHBondContact N-O 3.19Å; E194-A207 HydrophobicContact CB-CB 4.16Å; E194-A207 PolarHBondContact N-O 2.7Å; E194-A207 PolarHBondContact O-N 2.99Å; L196-A207 HydrophobicContact CD2-CB 4.36Å; A207-M227 CarbonylContact C-O 3.14Å; A207-M227 VanDerWaalsContact CA-O 3.24Å; A207-M227 WeakPolarHBondContact CA-O 3.1Å; A207-E228 HydrophobicContact CB-CG 4.34Å
208	T	97.8	Very high	94.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.043	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	166.4	172.8	72.1	0	0	0	0	110.7	Y190 A191 G226 M227	Y190-T208 HydrophobicContact CD1-CG2 4.16Å; A191-T208 CarbonylContact O-C 3.55Å; A191-T208 VanDerWaalsContact O-CA 3.23Å; A191-T208 WeakPolarHBondContact O-CA 3.35Å; T208-G226 WeakPolarHBondContact OG1-CA 3.47Å; T208-M227 PolarHBondContact N-O 2.76Å; T208-M227 PolarHBondContact OG1-N 2.92Å
209	N	95.8	Very high	94.9	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-54.8	143.5	168.5	65.9	-89.6	0	0	0	109.7	A191 A193 V211 G226 G567	A191-N209 HydrophobicContact CB-CB 4.34Å; A191-N209 WeakPolarHBondContact CB-OD1 3.48Å; A191-N209 PolarHBondContact N-OD1 2.82Å; A191-N209 PolarHBondContact O-N 2.79Å; A191-N209 PolarHBondContact O-OD1 3.48Å; A193-N209 HydrophobicContact CB-CB 4.08Å; N209-V211 WeakPolarHBondContact ND2-CG1 3.11Å; N209-G226 VanDerWaalsContact O-CA 3.29Å; N209-G226 WeakPolarHBondContact O-CA 3.36Å; N209-G567 PolarHBondContact ND2-N 3.33Å; N209-G567 VanDerWaalsContact ND2-N 3.18Å; N209-G567 PolarHBondContact OD1-N 2.56Å
210	D	96.6	Very high	95.2	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.032	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-72.4	163.9	160.7	-61.7	-9.5	0	0	0	108.8	R43 R56 I213 F223 E224 R225 G226	R43-D210 IonicContact CZ-OD2 2.91Å; R43-D210 IonicContact NH1-OD2 3.7Å; R43-D210 PolarHBondContact NH1-OD2 3.4Å; R43-D210 IonicContact NH2-OD2 2.77Å; R43-D210 PolarHBondContact NH2-OD2 3Å; R56-D210 IonicContact CZ-OD1 2.75Å; R56-D210 IonicContact NH1-OD1 2.95Å; R56-D210 PolarHBondContact NH1-OD1 2.6Å; R56-D210 IonicContact NH2-OD1 3.31Å; R56-D210 PolarHBondContact NH2-OD1 2.81Å; D210-I213 HydrophobicContact CB-CD1 4.39Å; D210-F223 HydrophobicContact CB-CE2 3.92Å; D210-F223 HydrophobicContact CB-CZ 4.37Å; D210-E224 WeakPolarHBondContact CA-O 3.42Å; D210-E224 WeakPolarHBondContact CB-O 3.34Å; D210-R225 IonicContact OD1-NH1 3.76Å; D210-R225 PolarHBondContact OD1-NH1 3.13Å; D210-R225 IonicContact OD2-CZ 3.17Å; D210-R225 IonicContact OD2-NH1 2.81Å; D210-R225 PolarHBondContact OD2-NH1 2.65Å; D210-G226 PolarHBondContact OD1-N 3.28Å
211	V	96.2	Very high	95.6	Very high	55 Å²	55	30.8 Å²	30.8	33%	0.333	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.8	174.6	-64.6	0	0	0	0	110.4	N209 F223 E224 E566	N209-V211 WeakPolarHBondContact ND2-CG1 3.11Å; V211-F223 WeakPolarHBondContact O-CA 3.45Å; V211-F223 VanDerWaalsContact O-CD2 3.24Å; V211-F223 WeakPolarHBondContact O-CD2 3.39Å; V211-E224 HydrophobicContact CG2-CB 3.82Å; V211-E224 PolarHBondContact N-O 3.49Å; V211-E224 PolarHBondContact O-N 2.82Å; V211-E566 HydrophobicContact CG1-CG 4.43Å
212	G	96.2	Very high	95.9	Very high	6 Å²	6	34.3 Å²	34.3	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	34.7	176.3	0	0	0	0	0	113.3	K220 E566	G212-K220 WeakPolarHBondContact O-CB 3.45Å; G212-K220 VanDerWaalsContact O-CG 3.25Å; G212-K220 WeakPolarHBondContact O-CG 3.26Å; G212-K220 PolarHBondContact O-N 3.11Å; G212-E566 PolarHBondContact N-OE1 2.69Å
213	I	97.7	Very high	96.3	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.1	170.9	-50.8	-175.8	0	0	0	108.6	Y38 W49 D210 K220 F223 Q492 P493 E566	Y38-I213 HydrophobicContact CD1-CD1 3.73Å; Y38-I213 HydrophobicContact CE1-CD1 3.84Å; W49-I213 HydrophobicContact CH2-CD1 3.95Å; W49-I213 HydrophobicContact CH2-CG1 3.99Å; W49-I213 HydrophobicContact CZ2-CD1 4.21Å; W49-I213 HydrophobicContact CZ2-CG1 4.3Å; W49-I213 HydrophobicContact CZ2-CG2 4.11Å; D210-I213 HydrophobicContact CB-CD1 4.39Å; I213-K220 VanDerWaalsContact C-CE 3.47Å; I213-K220 WeakPolarHBondContact O-CE 3.48Å; I213-K220 PolarHBondContact O-NZ 2.83Å; I213-F223 HydrophobicContact CD1-CE2 4.13Å; I213-F223 HydrophobicContact CG1-CD2 3.88Å; I213-F223 HydrophobicContact CG1-CE2 3.9Å; I213-Q492 WeakPolarHBondContact O-CA 3.29Å; I213-P493 HydrophobicContact CB-CG 4.22Å; I213-P493 HydrophobicContact CG2-CG 3.56Å; I213-E566 PolarHBondContact N-OE1 2.72Å
214	A	97.1	Very high	96.5	Very high	8 Å²	8	38.7 Å²	38.7	7%	0.066	22%	0.217	C	C	.	.			trans	-82.2	162.7	179	0	0	0	0	0	112.3	D216 G217 S218 K220 N491 P493	A214-D216 WeakPolarHBondContact CB-OD1 3.36Å; A214-D216 PolarHBondContact O-N 3.42Å; A214-D216 VanDerWaalsContact O-N 3.1Å; A214-G217 PolarHBondContact O-N 3.27Å; A214-S218 PolarHBondContact N-O 3.17Å; A214-K220 HydrophobicContact CB-CG 4.13Å; A214-N491 WeakPolarHBondContact CA-O 3.29Å; A214-N491 WeakPolarHBondContact CA-OD1 3.46Å; A214-P493 WeakPolarHBondContact O-CD 3.47Å; A214-P493 WeakPolarHBondContact O-CG 3.39Å
215	K	96.4	Very high	96.7	Very high	89 Å²	89	39.3 Å²	39.3	39%	0.387	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	-175.1	-171.5	163.7	-174.1	169.1	0	114.8	T36 G217 N491 Q492	T36-K215 WeakPolarHBondContact CB-O 3.16Å; T36-K215 PolarHBondContact OG1-O 3.34Å; K215-G217 VanDerWaalsContact C-N 3.32Å; K215-N491 PolarHBondContact N-OD1 2.69Å; K215-Q492 WeakPolarHBondContact CG-O 3.35Å
216	D	95.4	Very high	96.7	Very high	78 Å²	78	39.6 Å²	39.6	42%	0.417	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.9	174.7	74.3	-24.5	0	0	0	113.8	R48 A214 S218	R48-D216 IonicContact CZ-OD2 3.28Å; R48-D216 PolarHBondContact NH1-O 2.81Å; R48-D216 IonicContact NH1-OD1 3.01Å; R48-D216 IonicContact NH1-OD2 2.71Å; R48-D216 PolarHBondContact NH1-OD2 3.36Å; R48-D216 PolarHBondContact NH2-O 3.09Å; A214-D216 WeakPolarHBondContact CB-OD1 3.36Å; A214-D216 PolarHBondContact O-N 3.42Å; A214-D216 VanDerWaalsContact O-N 3.1Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 VanDerWaalsContact OD1-CB 3.25Å; D216-S218 WeakPolarHBondContact OD1-CB 3.36Å; D216-S218 PolarHBondContact OD1-N 3.19Å; D216-S218 PolarHBondContact OD1-OG 2.87Å; D216-S218 PolarHBondContact OD2-OG 2.81Å
217	G	96.4	Very high	96.7	Very high	9 Å²	9	42.1 Å²	42.1	9%	0.093	23%	0.232	C	C	.	.	S	Bend	trans	81.6	2	-176.5	0	0	0	0	0	114.9	W49 A214 K215	W49-G217 PolarHBondContact NE1-O 2.9Å; A214-G217 PolarHBondContact O-N 3.27Å; K215-G217 VanDerWaalsContact C-N 3.32Å
218	S	96.4	Very high	96.7	Very high	23 Å²	23	44 Å²	44	16%	0.161	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-78.1	151.5	178.1	66.6	0	0	0	0	112.8	A214 D216	A214-S218 PolarHBondContact N-O 3.17Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 VanDerWaalsContact OD1-CB 3.25Å; D216-S218 WeakPolarHBondContact OD1-CB 3.36Å; D216-S218 PolarHBondContact OD1-N 3.19Å; D216-S218 PolarHBondContact OD1-OG 2.87Å; D216-S218 PolarHBondContact OD2-OG 2.81Å
219	P	97.4	Very high	96.7	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.156	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.9	171.6	30.2	-33.6	0	0	0	110.4	W49 I52 F223	W49-P219 HydrophobicContact CD2-CB 4.41Å; W49-P219 HydrophobicContact CD2-CG 4.27Å; W49-P219 HydrophobicContact CE3-CB 4.27Å; W49-P219 HydrophobicContact CE3-CG 4.49Å; W49-P219 HydrophobicContact CH2-CB 3.94Å; W49-P219 HydrophobicContact CZ2-CB 4.1Å; W49-P219 HydrophobicContact CZ3-CB 4.03Å; I52-P219 HydrophobicContact CD1-CB 3.99Å; I52-P219 HydrophobicContact CD1-CG 3.85Å; I52-P219 HydrophobicContact CG1-CB 4.08Å; I52-P219 HydrophobicContact CG1-CG 3.81Å; P219-F223 HydrophobicContact CB-CB 4.13Å; P219-F223 HydrophobicContact CB-CG 4.28Å
220	K	97.3	Very high	96.7	Very high	36 Å²	36	46.7 Å²	46.7	16%	0.157	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	162.6	168.7	-59.2	174.2	-167.9	145.3	0	109.4	G212 I213 A214 T222 F223 N491 E566	G212-K220 WeakPolarHBondContact O-CB 3.45Å; G212-K220 VanDerWaalsContact O-CG 3.25Å; G212-K220 WeakPolarHBondContact O-CG 3.26Å; G212-K220 PolarHBondContact O-N 3.11Å; I213-K220 VanDerWaalsContact C-CE 3.47Å; I213-K220 WeakPolarHBondContact O-CE 3.48Å; I213-K220 PolarHBondContact O-NZ 2.83Å; A214-K220 HydrophobicContact CB-CG 4.13Å; K220-T222 PolarHBondContact O-N 2.99Å; K220-T222 VanDerWaalsContact O-N 3.08Å; K220-F223 VanDerWaalsContact O-CB 3.27Å; K220-F223 WeakPolarHBondContact O-CB 3.22Å; K220-F223 PolarHBondContact O-N 2.97Å; K220-N491 WeakPolarHBondContact CE-O 3.46Å; K220-N491 PolarHBondContact NZ-O 2.98Å; K220-E566 IonicContact NZ-OE1 3.25Å
221	P	95.9	Very high	96.7	Very high	144 Å²	144	46.6 Å²	46.6	94%	0.935	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	-16.3	168	-24.1	35.2	0	0	0	114.2
222	T	96.3	Very high	96.5	Very high	103 Å²	103	48.2 Å²	48.2	63%	0.632	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	29.3	175.1	65.6	0	0	0	0	111.8	K220	K220-T222 PolarHBondContact O-N 2.99Å; K220-T222 VanDerWaalsContact O-N 3.08Å
223	F	97.1	Very high	96.2	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.3	174.8	172.6	-102.6	0	0	0	110.7	W49 I52 M54 D210 V211 I213 P219 K220 R225	W49-F223 AromaticContact CH2-CD2 3.71Å; W49-F223 HydrophobicContact CH2-CD2 3.71Å; W49-F223 HydrophobicContact CH2-CE1 4.41Å; W49-F223 AromaticContact CH2-CE2 3.48Å; W49-F223 HydrophobicContact CH2-CE2 3.48Å; W49-F223 VanDerWaalsContact CH2-CE2 3.48Å; W49-F223 HydrophobicContact CH2-CG 4.28Å; W49-F223 AromaticContact CH2-CZ 3.87Å; W49-F223 HydrophobicContact CH2-CZ 3.87Å; W49-F223 HydrophobicContact CZ3-CD1 4.07Å; W49-F223 AromaticContact CZ3-CD2 3.97Å; W49-F223 HydrophobicContact CZ3-CD2 3.97Å; W49-F223 AromaticContact CZ3-CE1 3.72Å; W49-F223 HydrophobicContact CZ3-CE1 3.72Å; W49-F223 AromaticContact CZ3-CE2 3.63Å; W49-F223 HydrophobicContact CZ3-CE2 3.63Å; W49-F223 HydrophobicContact CZ3-CG 4.19Å; W49-F223 AromaticContact CZ3-CZ 3.5Å; W49-F223 HydrophobicContact CZ3-CZ 3.5Å; W49-F223 VanDerWaalsContact CZ3-CZ 3.5Å; I52-F223 HydrophobicContact CG2-CD1 3.49Å; I52-F223 VanDerWaalsContact CG2-CD1 3.49Å; I52-F223 HydrophobicContact CG2-CE1 3.58Å; M54-F223 HydrophobicContact SD-CE1 4.32Å; M54-F223 HydrophobicContact SD-CZ 4.3Å; D210-F223 HydrophobicContact CB-CE2 3.92Å; D210-F223 HydrophobicContact CB-CZ 4.37Å; V211-F223 WeakPolarHBondContact O-CA 3.45Å; V211-F223 VanDerWaalsContact O-CD2 3.24Å; V211-F223 WeakPolarHBondContact O-CD2 3.39Å; I213-F223 HydrophobicContact CD1-CE2 4.13Å; I213-F223 HydrophobicContact CG1-CD2 3.88Å; I213-F223 HydrophobicContact CG1-CE2 3.9Å; P219-F223 HydrophobicContact CB-CB 4.13Å; P219-F223 HydrophobicContact CB-CG 4.28Å; K220-F223 VanDerWaalsContact O-CB 3.27Å; K220-F223 WeakPolarHBondContact O-CB 3.22Å; K220-F223 PolarHBondContact O-N 2.97Å; F223-R225 HydrophobicContact CE1-CG 3.77Å; F223-R225 HydrophobicContact CZ-CG 3.8Å
224	E	96.1	Very high	96.1	Very high	136 Å²	136	48.8 Å²	48.8	64%	0.636	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.5	175.7	-171	172.2	-175.7	0	0	110.8	D210 V211	D210-E224 WeakPolarHBondContact CA-O 3.42Å; D210-E224 WeakPolarHBondContact CB-O 3.34Å; V211-E224 HydrophobicContact CG2-CB 3.82Å; V211-E224 PolarHBondContact N-O 3.49Å; V211-E224 PolarHBondContact O-N 2.82Å
225	R	96.8	Very high	95.9	Very high	51 Å²	51	49.5 Å²	49.5	19%	0.192	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-81.6	130	178.2	-71.8	-76.5	-75.9	155.9	-7.7	109.9	M54 S55 R56 D210 F223	M54-R225 PolarHBondContact O-NE 3.19Å; M54-R225 PolarHBondContact O-NH2 2.9Å; S55-R225 WeakPolarHBondContact O-CB 3.45Å; S55-R225 VanDerWaalsContact O-CG 3.29Å; S55-R225 WeakPolarHBondContact O-CG 3.39Å; R56-R225 HydrophobicContact CG-CB 4.3Å; R56-R225 VanDerWaalsContact CZ-CZ 3.42Å; D210-R225 IonicContact OD1-NH1 3.76Å; D210-R225 PolarHBondContact OD1-NH1 3.13Å; D210-R225 IonicContact OD2-CZ 3.17Å; D210-R225 IonicContact OD2-NH1 2.81Å; D210-R225 PolarHBondContact OD2-NH1 2.65Å; F223-R225 HydrophobicContact CE1-CG 3.77Å; F223-R225 HydrophobicContact CZ-CG 3.8Å
226	G	96.1	Very high	95.8	Very high	6 Å²	6	47.6 Å²	47.6	6%	0.062	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-57.7	153.2	173	0	0	0	0	0	113	R56 T208 N209 D210	R56-G226 WeakPolarHBondContact CD-O 3.13Å; R56-G226 WeakPolarHBondContact CG-O 3.29Å; R56-G226 VanDerWaalsContact NH1-C 3.35Å; R56-G226 VanDerWaalsContact NH1-N 3.14Å; R56-G226 PolarHBondContact NH1-O 2.69Å; T208-G226 WeakPolarHBondContact OG1-CA 3.47Å; N209-G226 VanDerWaalsContact O-CA 3.29Å; N209-G226 WeakPolarHBondContact O-CA 3.36Å; D210-G226 PolarHBondContact OD1-N 3.28Å
227	M	97	Very high	95.7	Very high	54 Å²	54	44.4 Å²	44.4	27%	0.266	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-77.7	140.9	-177.4	-171.3	171.2	70.8	0	0	111.2	V57 D59 A207 T208 L229	V57-M227 HydrophobicContact CB-CG 4.48Å; V57-M227 HydrophobicContact CG1-CG 4.49Å; V57-M227 CarbonylContact O-C 3.53Å; V57-M227 WeakPolarHBondContact O-CA 3.29Å; V57-M227 WeakPolarHBondContact O-CG 3.38Å; D59-M227 HydrophobicContact CB-SD 4.35Å; A207-M227 CarbonylContact C-O 3.14Å; A207-M227 VanDerWaalsContact CA-O 3.24Å; A207-M227 WeakPolarHBondContact CA-O 3.1Å; T208-M227 PolarHBondContact N-O 2.76Å; T208-M227 PolarHBondContact OG1-N 2.92Å; M227-L229 HydrophobicContact CE-CD1 4.3Å; M227-L229 HydrophobicContact CE-CD2 3.87Å; M227-L229 HydrophobicContact CE-CG 3.95Å
228	E	98.1	Very high	95.5	Very high	38 Å²	38	45.7 Å²	45.7	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.3	164.4	-63.3	-175.7	-165.1	0	0	110	R56 V57 S58 D59 L196 A207 R230	R56-E228 HydrophobicContact CB-CG 3.85Å; R56-E228 HydrophobicContact CG-CG 4.26Å; V57-E228 PolarHBondContact O-N 2.94Å; S58-E228 WeakPolarHBondContact CA-O 3.25Å; D59-E228 PolarHBondContact N-O 2.83Å; L196-E228 HydrophobicContact CD1-CB 3.69Å; L196-E228 HydrophobicContact CD1-CG 3.74Å; L196-E228 HydrophobicContact CD2-CG 4.39Å; A207-E228 HydrophobicContact CB-CG 4.34Å; E228-R230 HydrophobicContact CB-CG 4.42Å; E228-R230 IonicContact OE2-CZ 2.69Å; E228-R230 IonicContact OE2-NE 2.72Å; E228-R230 PolarHBondContact OE2-NE 2.76Å; E228-R230 IonicContact OE2-NH2 2.69Å; E228-R230 PolarHBondContact OE2-NH2 2.97Å
229	L	97.7	Very high	95.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98.1	166.3	-77.8	160.8	0	0	0	107.6	D59 V61 V64 V95 G205 I206 M227	D59-L229 HydrophobicContact CB-CD2 4.42Å; V61-L229 HydrophobicContact CG1-CD2 4.35Å; V64-L229 HydrophobicContact CG2-CB 3.91Å; V64-L229 HydrophobicContact CG2-CD1 4.13Å; V95-L229 HydrophobicContact CG1-CD1 3.44Å; V95-L229 VanDerWaalsContact CG1-CD1 3.44Å; G205-L229 WeakPolarHBondContact CA-O 3.38Å; I206-L229 HydrophobicContact CD1-CB 4.08Å; I206-L229 HydrophobicContact CD1-CD1 4.08Å; I206-L229 PolarHBondContact N-O 2.96Å; I206-L229 PolarHBondContact O-N 3.36Å; M227-L229 HydrophobicContact CE-CD1 4.3Å; M227-L229 HydrophobicContact CE-CD2 3.87Å; M227-L229 HydrophobicContact CE-CG 3.95Å
230	R	97.3	Very high	95	Very high	74 Å²	74	47.8 Å²	47.8	28%	0.279	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.7	-179.3	-66.1	177.2	-173.9	149.9	6.4	109.6	S58 D59 D60 V61 L196 N204 E228	S58-R230 VanDerWaalsContact CB-NH2 3.3Å; S58-R230 PolarHBondContact OG-NH1 2.97Å; S58-R230 VanDerWaalsContact OG-NH1 3.11Å; S58-R230 PolarHBondContact OG-NH2 3.1Å; D59-R230 PolarHBondContact O-N 3.05Å; D60-R230 VanDerWaalsContact OD1-CB 3.23Å; D60-R230 WeakPolarHBondContact OD1-CB 3.23Å; D60-R230 WeakPolarHBondContact OD1-CD 3.43Å; V61-R230 WeakPolarHBondContact CG2-O 3.23Å; V61-R230 PolarHBondContact N-O 3.42Å; L196-R230 HydrophobicContact CD1-CG 4.27Å; N204-R230 CarbonylContact O-C 3.52Å; N204-R230 VanDerWaalsContact O-CA 3.25Å; N204-R230 WeakPolarHBondContact O-CA 3.43Å; E228-R230 HydrophobicContact CB-CG 4.42Å; E228-R230 IonicContact OE2-CZ 2.69Å; E228-R230 IonicContact OE2-NE 2.72Å; E228-R230 PolarHBondContact OE2-NE 2.76Å; E228-R230 IonicContact OE2-NH2 2.69Å; E228-R230 PolarHBondContact OE2-NH2 2.97Å
231	A	95.2	Very high	94.7	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.7	-172.3	0	0	0	0	0	113.1	V61 V64 N204 C233	V61-A231 HydrophobicContact CG2-CB 3.74Å; V61-A231 WeakPolarHBondContact O-CA 3.33Å; V64-A231 HydrophobicContact CB-CB 3.97Å; V64-A231 HydrophobicContact CG1-CB 3.63Å; N204-A231 CarbonylContact C-O 3.58Å; N204-A231 PolarHBondContact O-N 3.29Å; A231-C233 VanDerWaalsContact CB-O 3.31Å; A231-C233 WeakPolarHBondContact CB-O 3.4Å; A231-C233 PolarHBondContact O-N 3.24Å
232	K	91.6	Very high	94.6	Very high	88 Å²	88	41.5 Å²	41.5	38%	0.383	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-34.6	171.5	-60.3	167.1	-174.4	163.7	0	111.2	D62 L379 S387 T388 V389	D62-K232 WeakPolarHBondContact O-CB 3.15Å; D62-K232 PolarHBondContact O-N 3.03Å; D62-K232 WeakPolarHBondContact OD1-CE 3.4Å; D62-K232 IonicContact OD1-NZ 2.77Å; D62-K232 PolarHBondContact OD1-NZ 3.47Å; K232-L379 HydrophobicContact CB-CD2 3.75Å; K232-L379 HydrophobicContact CD-CD2 3.79Å; K232-L379 HydrophobicContact CG-CD2 4.42Å; K232-S387 WeakPolarHBondContact CA-O 3.41Å; K232-T388 CarbonylContact O-C 3.51Å; K232-T388 WeakPolarHBondContact O-CA 3.44Å; K232-V389 PolarHBondContact O-N 3.31Å
233	C	91.8	Very high	94.4	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.4	170.7	-158.5	0	0	0	0	111.8	D62 V63 V64 A231 I375 V389	D62-C233 PolarHBondContact O-N 3.33Å; V63-C233 WeakPolarHBondContact CA-O 3.33Å; V63-C233 HydrophobicContact CG2-CB 4.48Å; V64-C233 PolarHBondContact N-O 2.86Å; V64-C233 VanDerWaalsContact N-O 3.14Å; A231-C233 VanDerWaalsContact CB-O 3.31Å; A231-C233 WeakPolarHBondContact CB-O 3.4Å; A231-C233 PolarHBondContact O-N 3.24Å; C233-I375 HydrophobicContact CB-CG2 4.02Å; C233-V389 HydrophobicContact CB-CG2 3.86Å
234	T	94.3	Very high	94.3	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.8	173.8	-61.5	0	0	0	0	110.2	V64 V66 V203 G205 I206 F236	V64-T234 HydrophobicContact CG1-CG2 3.91Å; V64-T234 WeakPolarHBondContact CG1-OG1 3.17Å; V64-T234 CarbonylContact O-C 3.57Å; V64-T234 WeakPolarHBondContact O-CA 3.34Å; V66-T234 HydrophobicContact CG2-CG2 4.44Å; V203-T234 HydrophobicContact CG1-CG2 4.25Å; G205-T234 VanDerWaalsContact CA-OG1 3.31Å; G205-T234 WeakPolarHBondContact CA-OG1 3.38Å; G205-T234 PolarHBondContact N-OG1 3.15Å; I206-T234 HydrophobicContact CG2-CG2 4.03Å; T234-F236 HydrophobicContact CG2-CD2 4.12Å; T234-F236 HydrophobicContact CG2-CE1 3.99Å; T234-F236 HydrophobicContact CG2-CE2 3.48Å; T234-F236 VanDerWaalsContact CG2-CE2 3.48Å; T234-F236 HydrophobicContact CG2-CZ 3.41Å; T234-F236 VanDerWaalsContact CG2-CZ 3.41Å
235	V	92.5	Very high	94.1	Very high	23 Å²	23	32.1 Å²	32.1	14%	0.139	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.6	179.7	-173.1	0	0	0	0	110.2	V63 V64 I65 V66 A237 I375	V63-V235 HydrophobicContact CG1-CG2 3.92Å; V64-V235 PolarHBondContact O-N 2.88Å; I65-V235 WeakPolarHBondContact CA-O 3.33Å; I65-V235 HydrophobicContact CB-CB 4.37Å; I65-V235 HydrophobicContact CG1-CB 4.02Å; I65-V235 HydrophobicContact CG1-CG2 4.15Å; I65-V235 HydrophobicContact CG2-CB 4.2Å; I65-V235 HydrophobicContact CG2-CG1 4.44Å; V66-V235 PolarHBondContact N-O 3.16Å; V235-A237 PolarHBondContact O-N 3.45Å; V235-I375 HydrophobicContact CG2-CD1 3.42Å; V235-I375 VanDerWaalsContact CG2-CD1 3.42Å
236	F	94.6	Very high	93.9	Very high	48 Å²	48	31.6 Å²	31.6	21%	0.211	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	102.8	176.9	-64.5	-83.8	0	0	0	110.9	V66 V195 V203 I206 T234 L244 L248	V66-F236 HydrophobicContact CB-CD1 4.43Å; V66-F236 HydrophobicContact CG2-CD1 4.2Å; V66-F236 HydrophobicContact CG2-CE1 4.3Å; V195-F236 HydrophobicContact CG1-CZ 4.04Å; V195-F236 HydrophobicContact CG2-CE1 3.9Å; V195-F236 HydrophobicContact CG2-CZ 3.96Å; V203-F236 HydrophobicContact CG1-CE2 4.23Å; V203-F236 HydrophobicContact CG1-CZ 4.21Å; I206-F236 HydrophobicContact CG2-CE1 4.17Å; I206-F236 HydrophobicContact CG2-CZ 4.41Å; T234-F236 HydrophobicContact CG2-CD2 4.12Å; T234-F236 HydrophobicContact CG2-CE1 3.99Å; T234-F236 HydrophobicContact CG2-CE2 3.48Å; T234-F236 VanDerWaalsContact CG2-CE2 3.48Å; T234-F236 HydrophobicContact CG2-CZ 3.41Å; T234-F236 VanDerWaalsContact CG2-CZ 3.41Å; F236-L244 HydrophobicContact CD1-CB 3.96Å; F236-L244 HydrophobicContact CD1-CD1 4.48Å; F236-L244 HydrophobicContact CE1-CB 3.81Å; F236-L244 HydrophobicContact CE1-CD1 3.98Å; F236-L248 HydrophobicContact CD2-CD2 3.72Å; F236-L248 HydrophobicContact CE2-CD2 3.53Å; F236-L248 HydrophobicContact CG-CD2 4.47Å; F236-L248 HydrophobicContact CZ-CD2 4.14Å
237	A	94.4	Very high	93.6	Very high	12 Å²	12	33.6 Å²	33.6	10%	0.099	19%	0.188	C	C	.	.			trans	-115.5	19.7	-176.5	0	0	0	0	0	113.5	I65 V66 V235 G239	I65-A237 HydrophobicContact CG2-CB 4.26Å; V66-A237 CarbonylContact O-C 3.16Å; V66-A237 WeakPolarHBondContact O-CA 3.41Å; V66-A237 WeakPolarHBondContact O-CB 3.46Å; V66-A237 PolarHBondContact O-N 2.9Å; V235-A237 PolarHBondContact O-N 3.45Å; A237-G239 PolarHBondContact O-N 3.34Å
238	E	92.2	Very high	93.3	Very high	36 Å²	36	32 Å²	32	17%	0.168	18%	0.18	C	C	.	.			trans	-54.1	-6.6	-176.3	-65.7	-178.3	88.6	0	0	116.6	V66 G242 H243 L244 T245	V66-E238 HydrophobicContact CG1-CG 3.77Å; V66-E238 PolarHBondContact O-N 3.22Å; V66-E238 VanDerWaalsContact O-N 3.11Å; E238-G242 WeakPolarHBondContact OE1-CA 3.25Å; E238-G242 WeakPolarHBondContact OE2-CA 3.46Å; E238-H243 VanDerWaalsContact CD-N 3.32Å; E238-H243 IonicContact OE1-CE1 3.83Å; E238-H243 IonicContact OE1-CG 3.32Å; E238-H243 PolarHBondContact OE1-N 2.93Å; E238-H243 IonicContact OE1-ND1 2.82Å; E238-H243 PolarHBondContact OE1-ND1 3.15Å; E238-H243 PolarHBondContact OE2-N 3.36Å; E238-L244 PolarHBondContact OE1-N 3.42Å; E238-L244 PolarHBondContact OE2-N 2.96Å; E238-T245 WeakPolarHBondContact OE2-CB 3.48Å; E238-T245 PolarHBondContact OE2-N 3.33Å; E238-T245 PolarHBondContact OE2-OG1 3.17Å
239	G	90.8	Very high	92.8	Very high	56 Å²	56	31.5 Å²	31.5	58%	0.577	18%	0.18	S	C	*	.			trans	74.3	-144	-177.1	0	0	0	0	0	113.4	A237 R241	A237-G239 PolarHBondContact O-N 3.34Å; G239-R241 PolarHBondContact O-N 3.28Å
240	C	91.1	Very high	92.4	Very high	35 Å²	35	38.4 Å²	38.4	24%	0.236	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	128.9	-174.7	-168.8	0	0	0	0	111.5	G242 T349 K549	C240-G242 VanDerWaalsContact C-N 3.3Å; C240-G242 PolarHBondContact O-N 3.45Å; C240-T349 HydrophobicContact CB-CG2 3.68Å; C240-T349 PolarHBondContact SG-OG1 2.62Å; C240-T349 VanDerWaalsContact SG-OG1 3.35Å; C240-K549 PolarHBondContact O-NZ 3.05Å
241	R	92.4	Very high	92.1	Very high	44 Å²	44	40.2 Å²	40.2	17%	0.166	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	54.1	-178.5	-165.8	80.4	167.2	-158.4	-5.7	111.1	G239 Y263 K549 D552 I553	G239-R241 PolarHBondContact O-N 3.28Å; R241-Y263 HydrophobicContact CB-CE1 4.24Å; R241-Y263 VanDerWaalsContact CD-OH 3.29Å; R241-Y263 WeakPolarHBondContact CD-OH 3.36Å; R241-Y263 PolarHBondContact NH1-OH 3.1Å; R241-K549 HydrophobicContact CB-CB 3.84Å; R241-K549 HydrophobicContact CB-CG 4.06Å; R241-K549 HydrophobicContact CG-CB 4.12Å; R241-K549 PolarHBondContact O-NZ 2.87Å; R241-D552 IonicContact CZ-OD1 3.62Å; R241-D552 IonicContact NE-OD1 2.7Å; R241-D552 PolarHBondContact NE-OD1 2.94Å; R241-D552 PolarHBondContact NH2-O 3.44Å; R241-D552 IonicContact NH2-OD1 3.56Å; R241-D552 PolarHBondContact NH2-OD1 2.95Å; R241-I553 HydrophobicContact CB-CD1 3.96Å; R241-I553 HydrophobicContact CB-CG1 4.23Å; R241-I553 HydrophobicContact CG-CD1 4.09Å; R241-I553 HydrophobicContact CG-CG1 3.79Å
242	G	92.5	Very high	91.7	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	24%	0.239	C	C	.	.			trans	-53.2	137.4	164.2	0	0	0	0	0	110.7	E238 C240 K246	E238-G242 WeakPolarHBondContact OE1-CA 3.25Å; E238-G242 WeakPolarHBondContact OE2-CA 3.46Å; C240-G242 VanDerWaalsContact C-N 3.3Å; C240-G242 PolarHBondContact O-N 3.45Å; G242-K246 VanDerWaalsContact O-CB 3.28Å; G242-K246 WeakPolarHBondContact O-CB 3.17Å; G242-K246 PolarHBondContact O-N 3.05Å
243	H	93.2	Very high	91.6	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-88.9	-37.1	-172.1	83.2	-56.1	0	0	0	112.2	A192 E238 T245 K246 A247 W562 T564	A192-H243 PolarHBondContact O-CE1 3.1Å; E238-H243 VanDerWaalsContact CD-N 3.32Å; E238-H243 IonicContact OE1-CE1 3.83Å; E238-H243 IonicContact OE1-CG 3.32Å; E238-H243 PolarHBondContact OE1-N 2.93Å; E238-H243 IonicContact OE1-ND1 2.82Å; E238-H243 PolarHBondContact OE1-ND1 3.15Å; E238-H243 PolarHBondContact OE2-N 3.36Å; H243-T245 VanDerWaalsContact C-N 3.29Å; H243-K246 WeakPolarHBondContact O-CB 3.43Å; H243-K246 PolarHBondContact O-N 3.06Å; H243-A247 PolarHBondContact O-N 3.12Å; H243-W562 HydrophobicContact CB-CE3 3.96Å; H243-W562 HydrophobicContact CB-CZ3 4.17Å; H243-W562 WeakPolarHBondContact CB-O 3.44Å; H243-W562 AromaticContact CG-CZ3 3.98Å; H243-T564 WeakPolarHBondContact CE1-CG2 3.15Å
244	L	93.9	Very high	91.3	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-40.9	166.9	-54.8	-170.1	0	0	0	109.2	V66 A192 V195 I206 F236 E238 K246 A247 L248	V66-L244 HydrophobicContact CG1-CD1 4.45Å; A192-L244 HydrophobicContact CB-CD1 3.7Å; V195-L244 HydrophobicContact CG2-CB 3.84Å; V195-L244 HydrophobicContact CG2-CD1 4.07Å; V195-L244 HydrophobicContact CG2-CD2 4.15Å; V195-L244 HydrophobicContact CG2-CG 4.23Å; I206-L244 HydrophobicContact CG2-CD1 4.15Å; F236-L244 HydrophobicContact CD1-CB 3.96Å; F236-L244 HydrophobicContact CD1-CD1 4.48Å; F236-L244 HydrophobicContact CE1-CB 3.81Å; F236-L244 HydrophobicContact CE1-CD1 3.98Å; E238-L244 PolarHBondContact OE1-N 3.42Å; E238-L244 PolarHBondContact OE2-N 2.96Å; L244-K246 VanDerWaalsContact C-N 3.33Å; L244-K246 PolarHBondContact O-N 3.38Å; L244-A247 PolarHBondContact O-N 2.62Å; L244-L248 WeakPolarHBondContact O-CB 3.43Å; L244-L248 PolarHBondContact O-N 2.92Å
245	T	92.1	Very high	90.9	Very high	47 Å²	47	49.6 Å²	49.6	29%	0.288	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-39.1	174.5	-49.5	0	0	0	0	112	E238 H243 S249	E238-T245 WeakPolarHBondContact OE2-CB 3.48Å; E238-T245 PolarHBondContact OE2-N 3.33Å; E238-T245 PolarHBondContact OE2-OG1 3.17Å; H243-T245 VanDerWaalsContact C-N 3.29Å; T245-S249 WeakPolarHBondContact O-CB 3.5Å; T245-S249 PolarHBondContact O-N 2.73Å; T245-S249 PolarHBondContact O-OG 3.37Å
246	K	92.6	Very high	90.6	Very high	41 Å²	41	56.2 Å²	56.2	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-53.4	173.5	175.7	-169.4	178.8	-171.6	0	110.7	G242 H243 L244 S249 Q250 D552 N561	G242-K246 VanDerWaalsContact O-CB 3.28Å; G242-K246 WeakPolarHBondContact O-CB 3.17Å; G242-K246 PolarHBondContact O-N 3.05Å; H243-K246 WeakPolarHBondContact O-CB 3.43Å; H243-K246 PolarHBondContact O-N 3.06Å; L244-K246 VanDerWaalsContact C-N 3.33Å; L244-K246 PolarHBondContact O-N 3.38Å; K246-S249 PolarHBondContact O-N 3.17Å; K246-Q250 WeakPolarHBondContact O-CG 3.37Å; K246-Q250 PolarHBondContact O-N 3.38Å; K246-D552 VanDerWaalsContact NZ-CG 3.29Å; K246-D552 IonicContact NZ-OD1 3.81Å; K246-D552 PolarHBondContact NZ-OD1 3.32Å; K246-D552 VanDerWaalsContact NZ-OD1 3.16Å; K246-D552 IonicContact NZ-OD2 2.69Å; K246-D552 PolarHBondContact NZ-OD2 3.4Å; K246-N561 PolarHBondContact NZ-OD1 2.92Å
247	A	90.8	Very high	90.2	Very high	48 Å²	48	63.7 Å²	63.7	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-45.1	-179.9	0	0	0	0	0	112.4	H243 L244 S249 Q250 K251	H243-A247 PolarHBondContact O-N 3.12Å; L244-A247 PolarHBondContact O-N 2.62Å; A247-S249 PolarHBondContact O-N 3.1Å; A247-Q250 PolarHBondContact O-N 2.99Å; A247-K251 PolarHBondContact O-N 3.23Å
248	L	89.7	Confident	89.8	Confident	20 Å²	20	66.1 Å²	66.1	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-41.3	177.2	-174.1	69.2	0	0	0	111.9	Y197 V203 F236 L244 Q250 K251 M252 L254	Y197-L248 HydrophobicContact CE1-CD1 4.12Å; V203-L248 HydrophobicContact CG2-CD1 3.7Å; F236-L248 HydrophobicContact CD2-CD2 3.72Å; F236-L248 HydrophobicContact CE2-CD2 3.53Å; F236-L248 HydrophobicContact CG-CD2 4.47Å; F236-L248 HydrophobicContact CZ-CD2 4.14Å; L244-L248 WeakPolarHBondContact O-CB 3.43Å; L244-L248 PolarHBondContact O-N 2.92Å; L248-Q250 PolarHBondContact O-N 3.26Å; L248-K251 PolarHBondContact O-N 2.82Å; L248-M252 HydrophobicContact CD1-CE 4.29Å; L248-M252 HydrophobicContact CD1-CG 3.69Å; L248-M252 HydrophobicContact CG-CG 4.26Å; L248-M252 WeakPolarHBondContact O-CB 3.33Å; L248-M252 WeakPolarHBondContact O-CG 3.39Å; L248-M252 PolarHBondContact O-N 2.83Å; L248-L254 HydrophobicContact CG-CD1 4.46Å
249	S	88.6	Confident	89.6	Confident	27 Å²	27	67.2 Å²	67.2	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-31.3	176	-65.1	0	0	0	0	113.1	T245 K246 A247 G253 L254	T245-S249 WeakPolarHBondContact O-CB 3.5Å; T245-S249 PolarHBondContact O-N 2.73Å; T245-S249 PolarHBondContact O-OG 3.37Å; K246-S249 PolarHBondContact O-N 3.17Å; A247-S249 PolarHBondContact O-N 3.1Å; S249-G253 PolarHBondContact O-N 2.97Å; S249-L254 PolarHBondContact O-N 3.25Å
250	Q	89.4	Confident	89.5	Confident	147 Å²	147	67 Å²	67	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-76.9	-49.3	173.9	-70.4	172.4	-35.8	0	0	111.1	K246 A247 L248 M252	K246-Q250 WeakPolarHBondContact O-CG 3.37Å; K246-Q250 PolarHBondContact O-N 3.38Å; A247-Q250 PolarHBondContact O-N 2.99Å; L248-Q250 PolarHBondContact O-N 3.26Å; Q250-M252 VanDerWaalsContact C-N 3.33Å; Q250-M252 PolarHBondContact O-N 3.2Å
251	K	90.1	Very high	89.4	Confident	111 Å²	111	68.6 Å²	68.6	48%	0.483	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-39.1	-179.1	-172.3	-176.3	178.2	-175.1	0	112.9	Y197 A247 L248	Y197-K251 HydrophobicContact CE1-CD 3.81Å; Y197-K251 HydrophobicContact CE2-CD 4.23Å; Y197-K251 VanDerWaalsContact CE2-NZ 3.28Å; Y197-K251 VanDerWaalsContact CZ-NZ 3.25Å; A247-K251 PolarHBondContact O-N 3.23Å; L248-K251 PolarHBondContact O-N 2.82Å
252	M	87.1	Confident	89.4	Confident	77 Å²	77	68.1 Å²	68.1	38%	0.379	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12	-172.3	-52.6	-56.1	-143.9	0	0	114.1	Y197 G201 L248 Q250 L254	Y197-M252 HydrophobicContact CD1-CE 4.4Å; Y197-M252 HydrophobicContact CE1-CE 4.06Å; G201-M252 WeakPolarHBondContact O-CE 3.36Å; L248-M252 HydrophobicContact CD1-CE 4.29Å; L248-M252 HydrophobicContact CD1-CG 3.69Å; L248-M252 HydrophobicContact CG-CG 4.26Å; L248-M252 WeakPolarHBondContact O-CB 3.33Å; L248-M252 WeakPolarHBondContact O-CG 3.39Å; L248-M252 PolarHBondContact O-N 2.83Å; Q250-M252 VanDerWaalsContact C-N 3.33Å; Q250-M252 PolarHBondContact O-N 3.2Å; M252-L254 HydrophobicContact CB-CD1 4.44Å; M252-L254 HydrophobicContact CB-CD2 3.79Å; M252-L254 HydrophobicContact CB-CG 3.88Å; M252-L254 WeakPolarHBondContact O-CD2 3.29Å; M252-L254 PolarHBondContact O-N 2.99Å; M252-L254 VanDerWaalsContact O-N 3.08Å
253	G	89.3	Confident	89.4	Confident	26 Å²	26	69.5 Å²	69.5	27%	0.268	36%	0.355	S	S	.	.			trans	64.7	14.3	175.5	0	0	0	0	0	116	S249 R255 E256	S249-G253 PolarHBondContact O-N 2.97Å; G253-R255 PolarHBondContact O-N 2.62Å; G253-E256 WeakPolarHBondContact O-CG 3.37Å; G253-E256 PolarHBondContact O-N 3.12Å
254	L	86.1	Confident	89.4	Confident	102 Å²	102	69.5 Å²	69.5	53%	0.534	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-2.2	-167.6	-51.9	-178.5	0	0	0	115.5	L248 S249 M252	L248-L254 HydrophobicContact CG-CD1 4.46Å; S249-L254 PolarHBondContact O-N 3.25Å; M252-L254 HydrophobicContact CB-CD1 4.44Å; M252-L254 HydrophobicContact CB-CD2 3.79Å; M252-L254 HydrophobicContact CB-CG 3.88Å; M252-L254 WeakPolarHBondContact O-CD2 3.29Å; M252-L254 PolarHBondContact O-N 2.99Å; M252-L254 VanDerWaalsContact O-N 3.08Å
255	R	85.1	Confident	89.4	Confident	110 Å²	110	69.4 Å²	69.4	42%	0.415	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-7.3	-179.6	-60.4	-54.4	-57	168.6	-4	114.8	G253 K257 S258 D259	G253-R255 PolarHBondContact O-N 2.62Å; R255-K257 PolarHBondContact O-N 2.92Å; R255-K257 VanDerWaalsContact O-N 3.08Å; R255-S258 VanDerWaalsContact NH2-CB 3.28Å; R255-S258 PolarHBondContact O-N 3.38Å; R255-S258 VanDerWaalsContact O-O 3.08Å; R255-D259 PolarHBondContact NH2-O 2.79Å
256	E	87.5	Confident	89.4	Confident	162 Å²	162	68.3 Å²	68.3	76%	0.757	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.5	-174.5	-75	175.4	-173.7	0	0	114.5	G253	G253-E256 WeakPolarHBondContact O-CG 3.37Å; G253-E256 PolarHBondContact O-N 3.12Å
257	K	85.8	Confident	89.4	Confident	206 Å²	206	67 Å²	67	90%	0.896	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	17.5	-176.7	-60.8	173.4	-171.9	166.5	0	112.9	R255	R255-K257 PolarHBondContact O-N 2.92Å; R255-K257 VanDerWaalsContact O-N 3.08Å
258	S	85.5	Confident	89.6	Confident	62 Å²	62	65.8 Å²	65.8	43%	0.434	34%	0.338	S	S	.	.	S	Bend	trans	-135.6	146	-176.9	-70.8	0	0	0	0	112.7	R255	R255-S258 VanDerWaalsContact NH2-CB 3.28Å; R255-S258 PolarHBondContact O-N 3.38Å; R255-S258 VanDerWaalsContact O-O 3.08Å
259	D	87.4	Confident	89.6	Confident	59 Å²	59	65.5 Å²	65.5	32%	0.316	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-59.7	154.5	165.3	-73.2	13.6	0	0	0	110.4	R255 K446 R447	R255-D259 PolarHBondContact NH2-O 2.79Å; D259-K446 VanDerWaalsContact OD2-CA 3.24Å; D259-K446 WeakPolarHBondContact OD2-CA 3.47Å; D259-K446 WeakPolarHBondContact OD2-CB 3.5Å; D259-R447 PolarHBondContact OD2-N 2.76Å
260	P	88.5	Confident	89.7	Confident	51 Å²	51	66.6 Å²	66.6	33%	0.331	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-53.4	143.1	175.1	-26.5	35.2	0	0	0	112.4	R447 P450	P260-R447 WeakPolarHBondContact CD-O 3.25Å; P260-P450 HydrophobicContact CB-CB 4.22Å
261	M	89.9	Confident	89.6	Confident	70 Å²	70	62.5 Å²	62.5	35%	0.345	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-66.2	141.8	176.2	-170.3	62.9	-153.1	0	0	110.3	Y263	M261-Y263 HydrophobicContact CB-CE1 4.36Å; M261-Y263 HydrophobicContact CB-CE2 3.94Å; M261-Y263 HydrophobicContact CG-CD1 4.31Å; M261-Y263 HydrophobicContact CG-CE1 3.68Å; M261-Y263 HydrophobicContact CG-CE2 4.04Å; M261-Y263 WeakPolarHBondContact O-CE2 3.28Å
262	T	91.2	Very high	89.6	Confident	33 Å²	33	62.8 Å²	62.8	20%	0.202	32%	0.321	C	S	.	.			trans	-122.3	133.2	-175.3	64.7	0	0	0	0	110	R414 R447	T262-R414 PolarHBondContact O-NH1 3.06Å; T262-R414 PolarHBondContact OG1-NH1 2.84Å; T262-R447 HydrophobicContact CG2-CG 4.47Å; T262-R447 VanDerWaalsContact CG2-NH1 3.26Å
263	Y	93.7	Very high	89.4	Confident	33 Å²	33	61 Å²	61	13%	0.129	31%	0.314	C	S	.	.			trans	-124.5	175.6	-163.8	-54.1	-89.2	0	0	0	111.5	R241 M261 A319 L320 R414 D451 I553	R241-Y263 HydrophobicContact CB-CE1 4.24Å; R241-Y263 VanDerWaalsContact CD-OH 3.29Å; R241-Y263 WeakPolarHBondContact CD-OH 3.36Å; R241-Y263 PolarHBondContact NH1-OH 3.1Å; M261-Y263 HydrophobicContact CB-CE1 4.36Å; M261-Y263 HydrophobicContact CB-CE2 3.94Å; M261-Y263 HydrophobicContact CG-CD1 4.31Å; M261-Y263 HydrophobicContact CG-CE1 3.68Å; M261-Y263 HydrophobicContact CG-CE2 4.04Å; M261-Y263 WeakPolarHBondContact O-CE2 3.28Å; Y263-A319 WeakPolarHBondContact O-CA 3.21Å; Y263-L320 PolarHBondContact O-N 3.14Å; Y263-L320 VanDerWaalsContact O-N 3.11Å; Y263-R414 PolarHBondContact O-NH1 2.95Å; Y263-R414 PolarHBondContact O-NH2 3.01Å; Y263-D451 WeakPolarHBondContact CA-OD2 3.19Å; Y263-D451 WeakPolarHBondContact CB-OD2 3.22Å; Y263-D451 WeakPolarHBondContact CD2-OD2 3.38Å; Y263-D451 PolarHBondContact N-OD2 3.46Å; Y263-I553 HydrophobicContact CD1-CD1 3.96Å; Y263-I553 HydrophobicContact CD2-CB 4.47Å; Y263-I553 HydrophobicContact CD2-CD1 4.27Å; Y263-I553 HydrophobicContact CD2-CG1 4.23Å; Y263-I553 HydrophobicContact CD2-CG2 3.39Å; Y263-I553 HydrophobicContact CE1-CD1 4.34Å; Y263-I553 HydrophobicContact CE2-CG1 4.33Å; Y263-I553 HydrophobicContact CE2-CG2 4.01Å; Y263-I553 HydrophobicContact CG-CD1 3.9Å; Y263-I553 HydrophobicContact CG-CG1 4.37Å; Y263-I553 HydrophobicContact CG-CG2 3.89Å
264	G	92.3	Very high	89	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.7	166.8	0	0	0	0	0	109.6	I318	G264-I318 CarbonylContact C-O 3.01Å; G264-I318 WeakPolarHBondContact CA-O 3.27Å
265	I	94.5	Very high	89.1	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.5	168.1	-176.5	174.8	0	0	0	107.9	L267 V317 I318 L320 P329 P521 T550	I265-L267 HydrophobicContact CD1-CD1 3.98Å; I265-L267 HydrophobicContact CD1-CG 4.17Å; I265-L267 HydrophobicContact CG1-CD1 3.95Å; I265-L267 HydrophobicContact CG1-CG 4.28Å; I265-L267 HydrophobicContact CG2-CD1 4.35Å; I265-V317 VanDerWaalsContact O-CA 3.32Å; I265-V317 WeakPolarHBondContact O-CA 3.36Å; I265-I318 HydrophobicContact CG2-CB 4.21Å; I265-I318 PolarHBondContact N-O 3.39Å; I265-I318 PolarHBondContact O-N 3Å; I265-L320 HydrophobicContact CB-CD2 4.05Å; I265-L320 HydrophobicContact CG2-CD2 3.82Å; I265-P329 HydrophobicContact CD1-CB 4.18Å; I265-P329 HydrophobicContact CG2-CB 3.79Å; I265-P329 HydrophobicContact CG2-CG 3.95Å; I265-P521 HydrophobicContact CD1-CB 3.99Å; I265-P521 HydrophobicContact CD1-CG 3.86Å; I265-T550 HydrophobicContact CB-CG2 4.47Å; I265-T550 HydrophobicContact CD1-CG2 4.23Å
266	G	92.6	Very high	89.2	Confident	24 Å²	24	62.4 Å²	62.4	25%	0.247	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.5	168.2	0	0	0	0	0	108.6	L316	G266-L316 WeakPolarHBondContact CA-O 3.33Å
267	L	93.1	Very high	88.8	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	33%	0.334	C	S	.	.			trans	-87.8	155.9	169.4	-55.9	92.8	0	0	0	108.9	I265 G315 L316 P329 F330 L333 V346 P521	I265-L267 HydrophobicContact CD1-CD1 3.98Å; I265-L267 HydrophobicContact CD1-CG 4.17Å; I265-L267 HydrophobicContact CG1-CD1 3.95Å; I265-L267 HydrophobicContact CG1-CG 4.28Å; I265-L267 HydrophobicContact CG2-CD1 4.35Å; L267-G315 CarbonylContact O-C 3.55Å; L267-G315 WeakPolarHBondContact O-CA 3.41Å; L267-L316 PolarHBondContact N-O 2.91Å; L267-L316 PolarHBondContact O-N 2.73Å; L267-P329 HydrophobicContact CD1-CB 3.78Å; L267-F330 HydrophobicContact CD2-CB 4.01Å; L267-F330 HydrophobicContact CD2-CD2 4.22Å; L267-L333 HydrophobicContact CB-CD1 4.46Å; L267-L333 HydrophobicContact CB-CD2 3.89Å; L267-L333 HydrophobicContact CD2-CD2 4.01Å; L267-V346 WeakPolarHBondContact O-CG1 3.41Å; L267-P521 HydrophobicContact CD2-CB 3.82Å; L267-P521 HydrophobicContact CG-CB 4.42Å
268	K	93.1	Very high	88.9	Confident	23 Å²	23	52.2 Å²	52.2	10%	0.1	30%	0.295	C	S	.	.			trans	-148.2	135.9	178.7	-177.6	176.1	171.2	178.4	0	111.7	L106 S107 S313 V346 M576	L106-K268 HydrophobicContact CD1-CB 4.1Å; L106-K268 HydrophobicContact CD2-CB 3.9Å; L106-K268 HydrophobicContact CG-CB 4.05Å; L106-K268 HydrophobicContact CG-CD 4.38Å; S107-K268 PolarHBondContact O-NZ 3.37Å; K268-S313 VanDerWaalsContact CE-OG 3.24Å; K268-S313 WeakPolarHBondContact CE-OG 3.46Å; K268-S313 PolarHBondContact NZ-OG 2.78Å; K268-V346 HydrophobicContact CB-CG1 3.54Å; K268-V346 HydrophobicContact CD-CG1 4.11Å; K268-V346 HydrophobicContact CD-CG2 4.31Å; K268-V346 HydrophobicContact CG-CG1 3.7Å; K268-V346 HydrophobicContact CG-CG2 4.02Å; K268-M576 HydrophobicContact CB-CE 4.29Å; K268-M576 HydrophobicContact CD-CB 4.5Å; K268-M576 HydrophobicContact CD-CE 3.96Å; K268-M576 HydrophobicContact CD-SD 4.1Å; K268-M576 VanDerWaalsContact CE-SD 3.59Å; K268-M576 HydrophobicContact CG-CE 3.78Å; K268-M576 HydrophobicContact CG-SD 4.46Å; K268-M576 PolarHBondContact NZ-OXT 2.92Å
269	E	89.9	Confident	89.1	Confident	14 Å²	14	54 Å²	54	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	163.5	160.6	-50.7	169.2	-179.6	0	0	107.9	W271 L314 L333 Q334 K337	E269-W271 PolarHBondContact OE2-NE1 2.83Å; E269-L314 WeakPolarHBondContact CA-O 3.48Å; E269-L314 HydrophobicContact CB-CG 4.32Å; E269-L314 VanDerWaalsContact CB-O 3.23Å; E269-L314 WeakPolarHBondContact CB-O 3.12Å; E269-L314 PolarHBondContact N-O 3.4Å; E269-L314 CarbonylContact O-C 3.47Å; E269-L314 WeakPolarHBondContact O-CA 3.33Å; E269-L314 PolarHBondContact O-N 2.97Å; E269-L333 HydrophobicContact CG-CD2 4.45Å; E269-Q334 PolarHBondContact OE1-NE2 3.45Å; E269-K337 IonicContact OE1-NZ 2.71Å; E269-K337 PolarHBondContact OE1-NZ 3.02Å; E269-K337 IonicContact OE2-NZ 2.76Å; E269-K337 PolarHBondContact OE2-NZ 3.36Å
270	L	90.8	Very high	89.3	Confident	51 Å²	51	53.9 Å²	53.9	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.9	171	-179.9	69.1	0	0	0	107.1	L311 M576	L270-L311 HydrophobicContact CD1-CB 4.46Å; L270-M576 HydrophobicContact CB-CE 4.42Å; L270-M576 HydrophobicContact CB-SD 3.83Å; L270-M576 HydrophobicContact CD2-SD 4.38Å
271	W	88.6	Confident	89.4	Confident	60 Å²	60	51.4 Å²	51.4	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	-172	-74.3	62.5	0	0	0	111	E269 L273 L311 C312 L314 K337 V472 F475	E269-W271 PolarHBondContact OE2-NE1 2.83Å; W271-L273 HydrophobicContact CB-CD2 4.35Å; W271-L311 CarbonylContact O-C 3.47Å; W271-L311 WeakPolarHBondContact O-CA 3.48Å; W271-C312 PolarHBondContact N-O 3.3Å; W271-C312 PolarHBondContact O-N 2.87Å; W271-L314 HydrophobicContact CB-CD2 4.07Å; W271-L314 HydrophobicContact CD2-CD2 3.8Å; W271-L314 HydrophobicContact CG-CD2 3.41Å; W271-L314 VanDerWaalsContact CG-CD2 3.41Å; W271-L314 HydrophobicContact CG-CG 4.28Å; W271-L314 VanDerWaalsContact NE1-CD2 3.29Å; W271-K337 HydrophobicContact CZ2-CD 4.33Å; W271-V472 WeakPolarHBondContact CH2-O 3.32Å; W271-F475 AromaticContact CH2-CE2 3.69Å; W271-F475 HydrophobicContact CH2-CE2 3.69Å; W271-F475 AromaticContact CH2-CZ 3.87Å; W271-F475 HydrophobicContact CH2-CZ 3.87Å; W271-F475 HydrophobicContact CZ2-CD2 4.49Å; W271-F475 AromaticContact CZ2-CE2 3.52Å; W271-F475 HydrophobicContact CZ2-CE2 3.52Å; W271-F475 HydrophobicContact CZ2-CZ 4.18Å
272	E	89.6	Confident	89.4	Confident	117 Å²	117	48.3 Å²	48.3	55%	0.547	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.1	162.3	-168.6	164.4	-143.2	0	0	108.8	H309 P310 L311	E272-H309 IonicContact OE1-CE1 2.76Å; E272-H309 IonicContact OE1-CG 2.7Å; E272-H309 IonicContact OE1-ND1 2.66Å; E272-H309 PolarHBondContact OE1-ND1 2.66Å; E272-P310 HydrophobicContact CG-CG 3.91Å; E272-L311 HydrophobicContact CB-CD2 4.07Å; E272-L311 HydrophobicContact CG-CD2 4.35Å
273	L	83	Confident	89.3	Confident	41 Å²	41	46.8 Å²	46.8	22%	0.215	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-102.8	157.5	-176.7	-60.2	-173	0	0	0	112	W271 P275 H303 P310 C312	W271-L273 HydrophobicContact CB-CD2 4.35Å; L273-P275 WeakPolarHBondContact O-CD 3.4Å; L273-H303 WeakPolarHBondContact CD1-CE1 3.4Å; L273-P310 WeakPolarHBondContact CB-O 3.4Å; L273-P310 PolarHBondContact N-O 3.11Å; L273-P310 WeakPolarHBondContact O-CG 3.37Å; L273-C312 HydrophobicContact CD1-CB 3.64Å; L273-C312 HydrophobicContact CD2-CB 4.23Å; L273-C312 HydrophobicContact CG-CB 3.86Å
274	D	80.8	Confident	88.9	Confident	74 Å²	74	45.2 Å²	45.2	40%	0.396	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-50.7	120.9	156.8	173.9	-7.2	0	0	0	109.9	A276 K277 H278	D274-A276 PolarHBondContact O-N 3.13Å; D274-A276 VanDerWaalsContact O-N 3.11Å; D274-A276 WeakPolarHBondContact OD1-CB 3.47Å; D274-A276 PolarHBondContact OD1-N 3.46Å; D274-K277 HydrophobicContact CB-CB 4.39Å; D274-K277 HydrophobicContact CB-CD 4.11Å; D274-K277 HydrophobicContact CB-CG 4.05Å; D274-K277 WeakPolarHBondContact O-CA 3.34Å; D274-K277 WeakPolarHBondContact O-CB 3.45Å; D274-K277 PolarHBondContact O-N 2.98Å; D274-K277 IonicContact OD2-NZ 3.77Å; D274-K277 PolarHBondContact OD2-NZ 2.83Å; D274-H278 PolarHBondContact O-N 3.08Å
275	P	88.3	Confident	88.7	Confident	99 Å²	99	44.5 Å²	44.5	64%	0.643	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.7	-180	-27.6	34.1	0	0	0	113.9	L273 K277 H278 P310	L273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-K277 PolarHBondContact O-N 2.91Å; P275-H278 PolarHBondContact O-N 3Å; P275-P310 HydrophobicContact CG-CG 4.24Å
276	A	88	Confident	88.3	Confident	93 Å²	93	44.3 Å²	44.3	77%	0.769	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.9	177.8	0	0	0	0	0	113.5	D274	D274-A276 PolarHBondContact O-N 3.13Å; D274-A276 VanDerWaalsContact O-N 3.11Å; D274-A276 WeakPolarHBondContact OD1-CB 3.47Å; D274-A276 PolarHBondContact OD1-N 3.46Å
277	K	78	Confident	88	Confident	135 Å²	135	45.1 Å²	45.1	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	-15	175.7	-56.1	-174.5	-177.7	97.2	0	112.5	D274 P275	D274-K277 HydrophobicContact CB-CB 4.39Å; D274-K277 HydrophobicContact CB-CD 4.11Å; D274-K277 HydrophobicContact CB-CG 4.05Å; D274-K277 WeakPolarHBondContact O-CA 3.34Å; D274-K277 WeakPolarHBondContact O-CB 3.45Å; D274-K277 PolarHBondContact O-N 2.98Å; D274-K277 IonicContact OD2-NZ 3.77Å; D274-K277 PolarHBondContact OD2-NZ 2.83Å; P275-K277 PolarHBondContact O-N 2.91Å
278	H	88.3	Confident	87.7	Confident	20 Å²	20	45.1 Å²	45.1	9%	0.093	24%	0.24	C	C	.	.			trans	-77.5	140.2	-179.5	-168.9	-93.4	0	0	0	111.6	D274 P275 P280 H303 I304 D305 P310 L311	D274-H278 PolarHBondContact O-N 3.08Å; P275-H278 PolarHBondContact O-N 3Å; H278-P280 WeakPolarHBondContact CE1-CG 3.39Å; H278-P280 WeakPolarHBondContact ND1-CD 3.29Å; H278-H303 AromaticContact CD2-ND1 3.37Å; H278-H303 PolarHBondContact CD2-ND1 3.33Å; H278-H303 AromaticContact CG-ND1 3.73Å; H278-I304 PolarHBondContact CE1-O 3.48Å; H278-I304 WeakPolarHBondContact NE2-CA 3.45Å; H278-I304 PolarHBondContact NE2-N 2.76Å; H278-I304 PolarHBondContact NE2-O 2.84Å; H278-D305 WeakPolarHBondContact CE1-CA 3.31Å; H278-D305 WeakPolarHBondContact CE1-CB 3.33Å; H278-D305 PolarHBondContact CE1-N 3.32Å; H278-P310 HydrophobicContact CB-CB 3.76Å; H278-P310 VanDerWaalsContact CD2-CA 3.44Å; H278-P310 WeakPolarHBondContact CD2-CA 3.33Å; H278-P310 PolarHBondContact CD2-O 2.74Å; H278-L311 PolarHBondContact CD2-O 3.27Å; H278-L311 WeakPolarHBondContact NE2-CA 3.32Å; H278-L311 PolarHBondContact NE2-N 3.23Å; H278-L311 PolarHBondContact NE2-O 3.22Å
279	R	88.7	Confident	87.4	Confident	99 Å²	99	45.8 Å²	45.8	37%	0.374	24%	0.242	S	C	.	.			trans	-136.7	90.3	180	-77.5	173.1	-76.6	140.9	5.1	108	E136 G281 Y282 H303	E136-R279 IonicContact OE2-NH1 3.77Å; R279-G281 PolarHBondContact O-N 2.85Å; R279-Y282 WeakPolarHBondContact O-CB 3.38Å; R279-Y282 PolarHBondContact O-N 2.91Å; R279-H303 PolarHBondContact N-ND1 3.26Å; R279-H303 WeakPolarHBondContact O-CB 3.49Å
280	P	92.1	Very high	87.4	Confident	56 Å²	56	45.6 Å²	45.6	36%	0.364	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	121.6	-174.8	-27.9	33.8	0	0	0	112.3	T135 H278 D305	T135-P280 WeakPolarHBondContact CG2-O 3.4Å; T135-P280 PolarHBondContact OG1-O 2.87Å; H278-P280 WeakPolarHBondContact CE1-CG 3.39Å; H278-P280 WeakPolarHBondContact ND1-CD 3.29Å; P280-D305 HydrophobicContact CB-CB 4.21Å; P280-D305 HydrophobicContact CG-CB 4.25Å
281	G	91.2	Very high	87.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	2.7	-178.7	0	0	0	0	0	115.1	Q132 K133 V134 T135 R279 H303	Q132-G281 VanDerWaalsContact NE2-N 3.16Å; K133-G281 WeakPolarHBondContact O-CA 3.49Å; V134-G281 WeakPolarHBondContact CA-O 3.33Å; T135-G281 PolarHBondContact N-O 2.84Å; T135-G281 WeakPolarHBondContact OG1-CA 3.39Å; T135-G281 PolarHBondContact OG1-O 3.03Å; R279-G281 PolarHBondContact O-N 2.85Å; G281-H303 PolarHBondContact N-O 3.18Å
282	Y	89.1	Confident	87.2	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.4	172.8	-179.3	-97.9	0	0	0	111.1	E136 R138 R279 D284 M301 H303	E136-Y282 HydrophobicContact CB-CD2 3.9Å; E136-Y282 HydrophobicContact CG-CD2 3.75Å; E136-Y282 HydrophobicContact CG-CE2 3.9Å; E136-Y282 WeakPolarHBondContact OE2-CD2 3.43Å; E136-Y282 WeakPolarHBondContact OE2-CE2 3.16Å; R138-Y282 VanDerWaalsContact CD-OH 3.32Å; R138-Y282 WeakPolarHBondContact CD-OH 3.31Å; R138-Y282 HydrophobicContact CG-CE2 3.92Å; R279-Y282 WeakPolarHBondContact O-CB 3.38Å; R279-Y282 PolarHBondContact O-N 2.91Å; Y282-D284 HydrophobicContact CE1-CB 3.74Å; Y282-D284 PolarHBondContact OH-OD2 3.41Å; Y282-M301 HydrophobicContact CD1-SD 3.93Å; Y282-M301 HydrophobicContact CE1-CE 4.13Å; Y282-M301 HydrophobicContact CE1-CG 4.48Å; Y282-M301 HydrophobicContact CE1-SD 3.54Å; Y282-M301 VanDerWaalsContact CE1-SD 3.54Å; Y282-H303 AromaticContact CD1-CD2 3.6Å; Y282-H303 AromaticContact CD1-NE2 3.92Å; Y282-H303 PolarHBondContact O-N 3.44Å
283	V	89.3	Confident	87.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.6	174.8	172.2	0	0	0	0	109.6	L110 V134 E136 E137 R138 I165 M301 Y302	L110-V283 HydrophobicContact CD1-CB 4.36Å; L110-V283 HydrophobicContact CD1-CG1 3.72Å; L110-V283 HydrophobicContact CD1-CG2 3.66Å; L110-V283 HydrophobicContact CD2-CG2 4.1Å; L110-V283 HydrophobicContact CG-CG2 4.36Å; V134-V283 HydrophobicContact CB-CG2 4.32Å; V134-V283 HydrophobicContact CG1-CB 4.33Å; V134-V283 HydrophobicContact CG1-CG2 3.72Å; V134-V283 HydrophobicContact CG2-CG2 3.67Å; E136-V283 WeakPolarHBondContact O-CB 3.45Å; E136-V283 PolarHBondContact O-N 3.13Å; E137-V283 CarbonylContact C-O 3.55Å; E137-V283 VanDerWaalsContact CA-O 3.27Å; E137-V283 WeakPolarHBondContact CA-O 3.25Å; E137-V283 HydrophobicContact CB-CB 4.4Å; E137-V283 HydrophobicContact CG-CB 4.49Å; E137-V283 HydrophobicContact CG-CG1 4.15Å; R138-V283 PolarHBondContact N-O 2.83Å; I165-V283 HydrophobicContact CD1-CG2 4.08Å; I165-V283 HydrophobicContact CG1-CG2 4.35Å; V283-M301 CarbonylContact C-O 3.58Å; V283-M301 VanDerWaalsContact CA-O 3.25Å; V283-M301 WeakPolarHBondContact CA-O 3.46Å; V283-Y302 HydrophobicContact CB-CD1 4.28Å; V283-Y302 HydrophobicContact CG1-CD1 3.94Å; V283-Y302 HydrophobicContact CG1-CE1 3.73Å; V283-Y302 HydrophobicContact CG2-CD1 3.96Å; V283-Y302 HydrophobicContact CG2-CE1 4.37Å
284	D	85.8	Confident	87.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.8	166.8	-143.5	-40.3	0	0	0	111.1	R138 R147 Y282 F300 M301	R138-D284 CarbonylContact O-C 3.55Å; R138-D284 WeakPolarHBondContact O-CA 3.42Å; R147-D284 IonicContact CZ-OD1 2.69Å; R147-D284 IonicContact CZ-OD2 3.37Å; R147-D284 VanDerWaalsContact NH1-CG 3.32Å; R147-D284 IonicContact NH1-OD1 2.68Å; R147-D284 PolarHBondContact NH1-OD1 2.82Å; R147-D284 IonicContact NH1-OD2 2.73Å; R147-D284 PolarHBondContact NH1-OD2 3.46Å; R147-D284 VanDerWaalsContact NH2-CG 3.34Å; R147-D284 IonicContact NH2-OD1 2.77Å; R147-D284 PolarHBondContact NH2-OD1 3.04Å; R147-D284 IonicContact NH2-OD2 3.13Å; R147-D284 PolarHBondContact NH2-OD2 3.2Å; Y282-D284 HydrophobicContact CE1-CB 3.74Å; Y282-D284 PolarHBondContact OH-OD2 3.41Å; D284-F300 CarbonylContact O-C 3.56Å; D284-F300 WeakPolarHBondContact O-CA 3.32Å; D284-F300 WeakPolarHBondContact O-CB 3.44Å; D284-M301 HydrophobicContact CB-CB 3.32Å; D284-M301 HydrophobicContact CB-CE 3.95Å; D284-M301 HydrophobicContact CB-CG 4.43Å; D284-M301 HydrophobicContact CB-SD 4.5Å; D284-M301 PolarHBondContact N-O 3.23Å; D284-M301 PolarHBondContact O-N 3.48Å
285	H	88.1	Confident	87.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.019	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	126.6	174.1	-76	108.7	0	0	0	109	R138 I139 G140 L158 S299 F300 Y302	R138-H285 PolarHBondContact O-N 2.96Å; I139-H285 CarbonylContact C-O 3.5Å; I139-H285 WeakPolarHBondContact CA-O 3.21Å; I139-H285 HydrophobicContact CG1-CB 4.27Å; G140-H285 PolarHBondContact N-O 2.71Å; L158-H285 HydrophobicContact CD1-CB 3.88Å; H285-S299 WeakPolarHBondContact CA-O 3.24Å; H285-F300 WeakPolarHBondContact CD2-CB 3.38Å; H285-F300 VanDerWaalsContact NE2-CB 3.27Å; H285-F300 WeakPolarHBondContact NE2-CB 3.19Å; H285-Y302 AromaticContact CE1-CE1 3.87Å; H285-Y302 AromaticContact NE2-CE1 3.8Å; H285-Y302 AromaticContact NE2-CZ 3.96Å; H285-Y302 PolarHBondContact NE2-OH 2.78Å
286	T	84.8	Confident	87.4	Confident	3 Å²	3	39 Å²	39	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.2	176.9	92.2	0	0	0	0	114.8	G140 L142 G298 S299 Y336 I342	G140-T286 WeakPolarHBondContact O-CA 3.24Å; L142-T286 HydrophobicContact CD1-CG2 4.42Å; L142-T286 WeakPolarHBondContact CD1-OG1 3.33Å; L142-T286 HydrophobicContact CD2-CG2 4.28Å; L142-T286 HydrophobicContact CG-CG2 4.33Å; T286-G298 CarbonylContact O-C 3.39Å; T286-G298 WeakPolarHBondContact O-CA 3.37Å; T286-S299 WeakPolarHBondContact CB-OG 3.45Å; T286-S299 PolarHBondContact N-O 2.82Å; T286-S299 PolarHBondContact N-OG 3.26Å; T286-S299 PolarHBondContact O-N 3Å; T286-S299 PolarHBondContact OG1-OG 3.1Å; T286-Y336 WeakPolarHBondContact OG1-CE2 3.41Å; T286-I342 HydrophobicContact CG2-CD1 4.47Å
287	L	87.2	Confident	87.4	Confident	41 Å²	41	35 Å²	35	22%	0.215	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	159.4	-179.1	-60.4	172.2	0	0	0	110	G140 I141 L142 G297 M423 L427	G140-L287 PolarHBondContact O-N 3.31Å; I141-L287 CarbonylContact C-O 3.2Å; I141-L287 WeakPolarHBondContact CA-O 3.48Å; L142-L287 PolarHBondContact N-O 3.23Å; L287-G297 WeakPolarHBondContact CD2-O 3.33Å; L287-M423 HydrophobicContact CB-SD 3.96Å; L287-L427 HydrophobicContact CD1-CD2 3.87Å
288	G	87.1	Confident	87.9	Confident	12 Å²	12	29 Å²	29	12%	0.124	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-128.3	179.7	0	0	0	0	0	112.3	L291 M423	G288-L291 WeakPolarHBondContact O-CA 3.25Å; G288-L291 WeakPolarHBondContact O-CB 3.16Å; G288-L291 PolarHBondContact O-N 2.76Å; G288-M423 PolarHBondContact N-SD 2.86Å
289	W	86.9	Confident	87.9	Confident	38 Å²	38	28.2 Å²	28.2	14%	0.144	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135	-173	-165.2	88.3	0	0	0	111.8	L142 T143 K144 R335 H339	L142-W289 HydrophobicContact CB-CB 3.89Å; L142-W289 WeakPolarHBondContact O-CB 3.33Å; L142-W289 PolarHBondContact O-N 3.36Å; T143-W289 WeakPolarHBondContact O-CB 3.46Å; K144-W289 HydrophobicContact CG-CZ2 4.17Å; W289-R335 HydrophobicContact CH2-CG 3.8Å; W289-R335 WeakPolarHBondContact CH2-O 3.27Å; W289-R335 HydrophobicContact CZ2-CG 3.95Å; W289-R335 VanDerWaalsContact CZ3-O 3.27Å; W289-R335 WeakPolarHBondContact CZ3-O 3.43Å; W289-H339 HydrophobicContact CE3-CB 4.01Å; W289-H339 AromaticContact CE3-CD2 3.84Å; W289-H339 HydrophobicContact CZ3-CB 3.74Å
290	P	89.2	Confident	87.9	Confident	9 Å²	9	23.5 Å²	23.5	6%	0.058	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	-4.5	13.7	35.5	-38.7	0	0	0	116.2	L316 E332 R335	P290-L316 HydrophobicContact CG-CD2 4.47Å; P290-E332 WeakPolarHBondContact CB-OE2 3.46Å; P290-E332 HydrophobicContact CG-CB 4.23Å; P290-E332 WeakPolarHBondContact CG-O 3.4Å; P290-R335 HydrophobicContact CB-CG 4.02Å; P290-R335 PolarHBondContact O-NH1 3.24Å
291	L	88.6	Confident	87.6	Confident	19 Å²	19	21.3 Å²	21.3	10%	0.099	12%	0.116	C	C	.	.	S	Bend	trans	-73.3	155.1	-177	-52	-179.9	0	0	0	112.8	G288 L316 I318 E332	G288-L291 WeakPolarHBondContact O-CA 3.25Å; G288-L291 WeakPolarHBondContact O-CB 3.16Å; G288-L291 PolarHBondContact O-N 2.76Å; L291-L316 HydrophobicContact CD2-CD2 4.29Å; L291-I318 HydrophobicContact CD1-CG1 4.4Å; L291-I318 HydrophobicContact CD2-CD1 3.74Å; L291-I318 HydrophobicContact CD2-CG1 3.99Å; L291-I318 HydrophobicContact CD2-CG2 4.44Å; L291-E332 HydrophobicContact CD2-CB 4.32Å; L291-E332 HydrophobicContact CD2-CG 4.21Å
292	A	86.8	Confident	87.6	Confident	53 Å²	53	21.3 Å²	21.3	44%	0.438	12%	0.116	S	C	.	.			trans	-76.8	152	171.6	0	0	0	0	0	111.3	D294 S295	A292-D294 PolarHBondContact O-N 2.88Å; A292-S295 PolarHBondContact O-N 3.25Å
293	Y	86.7	Confident	87.7	Confident	125 Å²	125	21.3 Å²	21.3	49%	0.49	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.5	-177.2	80.5	-81.4	0	0	0	114.3	G422 M423	Y293-G422 CarbonylContact O-C 3.18Å; Y293-G422 WeakPolarHBondContact O-CA 3.28Å; Y293-M423 WeakPolarHBondContact O-CB 3.34Å; Y293-M423 PolarHBondContact O-N 3.28Å
294	D	85	Confident	87.8	Confident	54 Å²	54	21.4 Å²	21.4	29%	0.289	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	6.5	179.9	83.6	-45.2	0	0	0	113.6	A292 K323	A292-D294 PolarHBondContact O-N 2.88Å; D294-K323 IonicContact OD2-NZ 3.12Å; D294-K323 PolarHBondContact OD2-NZ 3.39Å
295	S	85.7	Confident	88.1	Confident	13 Å²	13	24.3 Å²	24.3	9%	0.091	13%	0.132	C	C	.	.	S	Bend	trans	-113.8	115.1	177.9	-61	0	0	0	0	109.3	A292	A292-S295 PolarHBondContact O-N 3.25Å
296	Y	88.8	Confident	88.1	Confident	39 Å²	39	25 Å²	25	15%	0.153	14%	0.135	C	C	.	.			trans	-71.9	133.7	178.8	-175.7	-77.3	0	0	0	110.7	A319 P355 R414 F417	Y296-A319 HydrophobicContact CD1-CB 3.86Å; Y296-A319 HydrophobicContact CG-CB 4.25Å; Y296-A319 WeakPolarHBondContact O-CB 3.23Å; Y296-A319 PolarHBondContact O-N 3.37Å; Y296-P355 PolarHBondContact OH-O 3.34Å; Y296-R414 HydrophobicContact CD2-CG 4.42Å; Y296-R414 HydrophobicContact CE2-CB 4.47Å; Y296-R414 HydrophobicContact CE2-CG 4.3Å; Y296-F417 HydrophobicContact CD2-CB 3.77Å; Y296-F417 AromaticContact CD2-CD1 3.58Å; Y296-F417 HydrophobicContact CD2-CD1 3.58Å; Y296-F417 HydrophobicContact CD2-CD2 4.01Å; Y296-F417 HydrophobicContact CD2-CE1 4.18Å; Y296-F417 AromaticContact CD2-CG 3.52Å; Y296-F417 HydrophobicContact CD2-CG 3.52Å; Y296-F417 HydrophobicContact CE2-CB 4.44Å; Y296-F417 AromaticContact CE2-CD1 3.91Å; Y296-F417 HydrophobicContact CE2-CD1 3.91Å; Y296-F417 AromaticContact CE2-CD2 3.82Å; Y296-F417 HydrophobicContact CE2-CD2 3.82Å; Y296-F417 HydrophobicContact CE2-CE1 4.1Å; Y296-F417 HydrophobicContact CE2-CE2 4.02Å; Y296-F417 AromaticContact CE2-CG 3.81Å; Y296-F417 HydrophobicContact CE2-CG 3.81Å; Y296-F417 HydrophobicContact CE2-CZ 4.16Å
297	G	88.1	Confident	88.2	Confident	10 Å²	10	32.2 Å²	32.2	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-178.1	176.7	0	0	0	0	0	111.5	L287 V317	L287-G297 WeakPolarHBondContact CD2-O 3.33Å; G297-V317 CarbonylContact C-O 3.48Å; G297-V317 WeakPolarHBondContact CA-O 3.45Å
298	G	88.3	Confident	88.1	Confident	10 Å²	10	32.9 Å²	32.9	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	178.3	-178.5	0	0	0	0	0	112.9	T286 L316 V317	T286-G298 CarbonylContact O-C 3.39Å; T286-G298 WeakPolarHBondContact O-CA 3.37Å; G298-L316 WeakPolarHBondContact O-CD1 3.33Å; G298-V317 PolarHBondContact N-O 3.38Å; G298-V317 PolarHBondContact O-N 2.93Å
299	S	87.3	Confident	88.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	169.7	176.3	67.7	0	0	0	0	111.9	H285 T286 Y336 V346	H285-S299 WeakPolarHBondContact CA-O 3.24Å; T286-S299 WeakPolarHBondContact CB-OG 3.45Å; T286-S299 PolarHBondContact N-O 2.82Å; T286-S299 PolarHBondContact N-OG 3.26Å; T286-S299 PolarHBondContact O-N 3Å; T286-S299 PolarHBondContact OG1-OG 3.1Å; S299-Y336 VanDerWaalsContact CB-CE2 3.47Å; S299-Y336 VanDerWaalsContact CB-CZ 3.46Å; S299-Y336 WeakPolarHBondContact CB-OH 3.2Å; S299-Y336 VanDerWaalsContact OG-CE2 3.27Å; S299-Y336 WeakPolarHBondContact OG-CE2 3.19Å; S299-Y336 VanDerWaalsContact OG-CZ 3.29Å; S299-Y336 PolarHBondContact OG-OH 2.98Å; S299-V346 CarbonylContact C-O 3.53Å
300	F	88.7	Confident	88.5	Confident	1 Å²	1	36 Å²	36	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-162	153.7	71.9	-129.7	0	0	0	111.9	G108 D284 H285 Y302 L345 V346	G108-F300 VanDerWaalsContact CA-CE1 3.49Å; G108-F300 WeakPolarHBondContact O-CZ 3.45Å; D284-F300 CarbonylContact O-C 3.56Å; D284-F300 WeakPolarHBondContact O-CA 3.32Å; D284-F300 WeakPolarHBondContact O-CB 3.44Å; H285-F300 WeakPolarHBondContact CD2-CB 3.38Å; H285-F300 VanDerWaalsContact NE2-CB 3.27Å; H285-F300 WeakPolarHBondContact NE2-CB 3.19Å; F300-Y302 HydrophobicContact CB-CD1 4.31Å; F300-Y302 HydrophobicContact CB-CE1 3.57Å; F300-Y302 HydrophobicContact CD1-CD2 4.49Å; F300-Y302 AromaticContact CD1-CE1 3.77Å; F300-Y302 HydrophobicContact CD1-CE1 3.77Å; F300-Y302 AromaticContact CD1-CE2 3.66Å; F300-Y302 HydrophobicContact CD1-CE2 3.66Å; F300-Y302 AromaticContact CD1-CZ 3.18Å; F300-Y302 WeakPolarHBondContact CD1-OH 3.43Å; F300-Y302 AromaticContact CD2-CD1 3.22Å; F300-Y302 HydrophobicContact CD2-CD1 3.22Å; F300-Y302 AromaticContact CD2-CD2 3.63Å; F300-Y302 HydrophobicContact CD2-CD2 3.63Å; F300-Y302 AromaticContact CD2-CE1 3.13Å; F300-Y302 HydrophobicContact CD2-CE1 3.13Å; F300-Y302 AromaticContact CD2-CE2 3.58Å; F300-Y302 HydrophobicContact CD2-CE2 3.58Å; F300-Y302 AromaticContact CD2-CG 3.41Å; F300-Y302 HydrophobicContact CD2-CG 3.41Å; F300-Y302 VanDerWaalsContact CD2-CG 3.41Å; F300-Y302 AromaticContact CD2-CZ 3.3Å; F300-Y302 AromaticContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CE1 4.16Å; F300-Y302 AromaticContact CE1-CE2 3.17Å; F300-Y302 HydrophobicContact CE1-CE2 3.17Å; F300-Y302 AromaticContact CE1-CZ 3.27Å; F300-Y302 VanDerWaalsContact CE1-OH 3.29Å; F300-Y302 WeakPolarHBondContact CE1-OH 3.34Å; F300-Y302 AromaticContact CE2-CD1 3.52Å; F300-Y302 HydrophobicContact CE2-CD1 3.52Å; F300-Y302 AromaticContact CE2-CD2 2.99Å; F300-Y302 HydrophobicContact CE2-CD2 2.99Å; F300-Y302 AromaticContact CE2-CE1 3.63Å; F300-Y302 HydrophobicContact CE2-CE1 3.63Å; F300-Y302 AromaticContact CE2-CE2 3.15Å; F300-Y302 HydrophobicContact CE2-CE2 3.15Å; F300-Y302 AromaticContact CE2-CG 3.14Å; F300-Y302 HydrophobicContact CE2-CG 3.14Å; F300-Y302 AromaticContact CE2-CZ 3.44Å; F300-Y302 VanDerWaalsContact CE2-CZ 3.44Å; F300-Y302 AromaticContact CG-CD1 3.89Å; F300-Y302 HydrophobicContact CG-CD1 3.89Å; F300-Y302 HydrophobicContact CG-CD2 4.39Å; F300-Y302 AromaticContact CG-CE1 3.27Å; F300-Y302 HydrophobicContact CG-CE1 3.27Å; F300-Y302 AromaticContact CG-CE2 3.88Å; F300-Y302 HydrophobicContact CG-CE2 3.88Å; F300-Y302 HydrophobicContact CG-CG 4.35Å; F300-Y302 AromaticContact CG-CZ 3.24Å; F300-Y302 WeakPolarHBondContact CG-OH 3.48Å; F300-Y302 HydrophobicContact CZ-CD1 4.31Å; F300-Y302 AromaticContact CZ-CD2 3.17Å; F300-Y302 HydrophobicContact CZ-CD2 3.17Å; F300-Y302 HydrophobicContact CZ-CE1 4.1Å; F300-Y302 AromaticContact CZ-CE2 2.91Å; F300-Y302 HydrophobicContact CZ-CE2 2.91Å; F300-Y302 AromaticContact CZ-CG 3.84Å; F300-Y302 HydrophobicContact CZ-CG 3.84Å; F300-Y302 AromaticContact CZ-CZ 3.41Å; F300-Y302 VanDerWaalsContact CZ-CZ 3.41Å; F300-L345 CarbonylContact C-O 3.54Å; F300-L345 VanDerWaalsContact CD2-C 3.49Å; F300-L345 WeakPolarHBondContact CD2-O 3.02Å; F300-L345 WeakPolarHBondContact CE2-O 3.14Å; F300-L345 CarbonylContact O-C 3.46Å; F300-L345 WeakPolarHBondContact O-CA 3.48Å; F300-L345 PolarHBondContact O-N 3.16Å; F300-V346 HydrophobicContact CD1-CB 4.1Å; F300-V346 WeakPolarHBondContact CD1-O 3.48Å; F300-V346 HydrophobicContact CD2-CB 4.25Å; F300-V346 HydrophobicContact CD2-CG2 4.23Å; F300-V346 HydrophobicContact CE1-CB 3.47Å; F300-V346 VanDerWaalsContact CE1-CB 3.47Å; F300-V346 HydrophobicContact CE1-CG2 4.13Å; F300-V346 HydrophobicContact CE2-CB 3.62Å; F300-V346 HydrophobicContact CE2-CG2 3.37Å; F300-V346 VanDerWaalsContact CG-C 3.44Å; F300-V346 HydrophobicContact CG-CB 4.43Å; F300-V346 WeakPolarHBondContact CG-O 3.33Å; F300-V346 HydrophobicContact CZ-CB 3.17Å; F300-V346 HydrophobicContact CZ-CG2 3.29Å; F300-V346 PolarHBondContact N-O 2.81Å
301	M	87.3	Confident	88.7	Confident	9 Å²	9	36.5 Å²	36.5	4%	0.044	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	115.7	155.3	-169.4	-165.7	-50.4	0	0	108.5	Y282 V283 D284 G343 C344	Y282-M301 HydrophobicContact CD1-SD 3.93Å; Y282-M301 HydrophobicContact CE1-CE 4.13Å; Y282-M301 HydrophobicContact CE1-CG 4.48Å; Y282-M301 HydrophobicContact CE1-SD 3.54Å; Y282-M301 VanDerWaalsContact CE1-SD 3.54Å; V283-M301 CarbonylContact C-O 3.58Å; V283-M301 VanDerWaalsContact CA-O 3.25Å; V283-M301 WeakPolarHBondContact CA-O 3.46Å; D284-M301 HydrophobicContact CB-CB 3.32Å; D284-M301 HydrophobicContact CB-CE 3.95Å; D284-M301 HydrophobicContact CB-CG 4.43Å; D284-M301 HydrophobicContact CB-SD 4.5Å; D284-M301 PolarHBondContact N-O 3.23Å; D284-M301 PolarHBondContact O-N 3.48Å; M301-G343 WeakPolarHBondContact CE-O 3.34Å; M301-C344 HydrophobicContact CB-CB 4.43Å; M301-C344 HydrophobicContact CG-CB 3.27Å; M301-C344 WeakPolarHBondContact CG-SG 3.36Å; M301-C344 HydrophobicContact SD-CB 4.1Å
302	Y	91.2	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115	-179.2	-58.9	-14.7	0	0	0	111.8	G108 L110 I165 V283 H285 F300 C312 S313	G108-Y302 VanDerWaalsContact O-CD2 3.26Å; G108-Y302 WeakPolarHBondContact O-CD2 3.47Å; G108-Y302 WeakPolarHBondContact O-CE2 3.16Å; L110-Y302 HydrophobicContact CB-CD2 4.44Å; L110-Y302 HydrophobicContact CB-CE2 3.67Å; L110-Y302 HydrophobicContact CD1-CD1 3.83Å; L110-Y302 HydrophobicContact CD1-CD2 4.35Å; L110-Y302 HydrophobicContact CD1-CE1 3.21Å; L110-Y302 HydrophobicContact CD1-CE2 3.79Å; L110-Y302 HydrophobicContact CD1-CG 4.42Å; L110-Y302 WeakPolarHBondContact CD1-OH 3.25Å; L110-Y302 HydrophobicContact CG-CD1 4.09Å; L110-Y302 HydrophobicContact CG-CD2 3.76Å; L110-Y302 HydrophobicContact CG-CE1 3.73Å; L110-Y302 HydrophobicContact CG-CE2 3.34Å; L110-Y302 HydrophobicContact CG-CG 4.17Å; I165-Y302 HydrophobicContact CG1-CG 4.36Å; I165-Y302 HydrophobicContact CG2-CD2 4.27Å; I165-Y302 HydrophobicContact CG2-CG 4.34Å; V283-Y302 HydrophobicContact CB-CD1 4.28Å; V283-Y302 HydrophobicContact CG1-CD1 3.94Å; V283-Y302 HydrophobicContact CG1-CE1 3.73Å; V283-Y302 HydrophobicContact CG2-CD1 3.96Å; V283-Y302 HydrophobicContact CG2-CE1 4.37Å; H285-Y302 AromaticContact CE1-CE1 3.87Å; H285-Y302 AromaticContact NE2-CE1 3.8Å; H285-Y302 AromaticContact NE2-CZ 3.96Å; H285-Y302 PolarHBondContact NE2-OH 2.78Å; F300-Y302 HydrophobicContact CB-CD1 4.31Å; F300-Y302 HydrophobicContact CB-CE1 3.57Å; F300-Y302 HydrophobicContact CD1-CD2 4.49Å; F300-Y302 AromaticContact CD1-CE1 3.77Å; F300-Y302 HydrophobicContact CD1-CE1 3.77Å; F300-Y302 AromaticContact CD1-CE2 3.66Å; F300-Y302 HydrophobicContact CD1-CE2 3.66Å; F300-Y302 AromaticContact CD1-CZ 3.18Å; F300-Y302 WeakPolarHBondContact CD1-OH 3.43Å; F300-Y302 AromaticContact CD2-CD1 3.22Å; F300-Y302 HydrophobicContact CD2-CD1 3.22Å; F300-Y302 AromaticContact CD2-CD2 3.63Å; F300-Y302 HydrophobicContact CD2-CD2 3.63Å; F300-Y302 AromaticContact CD2-CE1 3.13Å; F300-Y302 HydrophobicContact CD2-CE1 3.13Å; F300-Y302 AromaticContact CD2-CE2 3.58Å; F300-Y302 HydrophobicContact CD2-CE2 3.58Å; F300-Y302 AromaticContact CD2-CG 3.41Å; F300-Y302 HydrophobicContact CD2-CG 3.41Å; F300-Y302 VanDerWaalsContact CD2-CG 3.41Å; F300-Y302 AromaticContact CD2-CZ 3.3Å; F300-Y302 AromaticContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CE1 4.16Å; F300-Y302 AromaticContact CE1-CE2 3.17Å; F300-Y302 HydrophobicContact CE1-CE2 3.17Å; F300-Y302 AromaticContact CE1-CZ 3.27Å; F300-Y302 VanDerWaalsContact CE1-OH 3.29Å; F300-Y302 WeakPolarHBondContact CE1-OH 3.34Å; F300-Y302 AromaticContact CE2-CD1 3.52Å; F300-Y302 HydrophobicContact CE2-CD1 3.52Å; F300-Y302 AromaticContact CE2-CD2 2.99Å; F300-Y302 HydrophobicContact CE2-CD2 2.99Å; F300-Y302 AromaticContact CE2-CE1 3.63Å; F300-Y302 HydrophobicContact CE2-CE1 3.63Å; F300-Y302 AromaticContact CE2-CE2 3.15Å; F300-Y302 HydrophobicContact CE2-CE2 3.15Å; F300-Y302 AromaticContact CE2-CG 3.14Å; F300-Y302 HydrophobicContact CE2-CG 3.14Å; F300-Y302 AromaticContact CE2-CZ 3.44Å; F300-Y302 VanDerWaalsContact CE2-CZ 3.44Å; F300-Y302 AromaticContact CG-CD1 3.89Å; F300-Y302 HydrophobicContact CG-CD1 3.89Å; F300-Y302 HydrophobicContact CG-CD2 4.39Å; F300-Y302 AromaticContact CG-CE1 3.27Å; F300-Y302 HydrophobicContact CG-CE1 3.27Å; F300-Y302 AromaticContact CG-CE2 3.88Å; F300-Y302 HydrophobicContact CG-CE2 3.88Å; F300-Y302 HydrophobicContact CG-CG 4.35Å; F300-Y302 AromaticContact CG-CZ 3.24Å; F300-Y302 WeakPolarHBondContact CG-OH 3.48Å; F300-Y302 HydrophobicContact CZ-CD1 4.31Å; F300-Y302 AromaticContact CZ-CD2 3.17Å; F300-Y302 HydrophobicContact CZ-CD2 3.17Å; F300-Y302 HydrophobicContact CZ-CE1 4.1Å; F300-Y302 AromaticContact CZ-CE2 2.91Å; F300-Y302 HydrophobicContact CZ-CE2 2.91Å; F300-Y302 AromaticContact CZ-CG 3.84Å; F300-Y302 HydrophobicContact CZ-CG 3.84Å; F300-Y302 AromaticContact CZ-CZ 3.41Å; F300-Y302 VanDerWaalsContact CZ-CZ 3.41Å; Y302-C312 WeakPolarHBondContact O-CA 3.24Å; Y302-C312 PolarHBondContact O-SG 3.29Å; Y302-S313 PolarHBondContact O-N 3.01Å
303	H	91.2	Very high	88.8	Confident	5 Å²	5	33.3 Å²	33.3	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.4	173.7	-74.5	-115	0	0	0	111.5	I165 L273 H278 R279 G281 Y282 C312	I165-H303 WeakPolarHBondContact CD1-O 3.32Å; L273-H303 WeakPolarHBondContact CD1-CE1 3.4Å; H278-H303 AromaticContact CD2-ND1 3.37Å; H278-H303 PolarHBondContact CD2-ND1 3.33Å; H278-H303 AromaticContact CG-ND1 3.73Å; R279-H303 PolarHBondContact N-ND1 3.26Å; R279-H303 WeakPolarHBondContact O-CB 3.49Å; G281-H303 PolarHBondContact N-O 3.18Å; Y282-H303 AromaticContact CD1-CD2 3.6Å; Y282-H303 AromaticContact CD1-NE2 3.92Å; Y282-H303 PolarHBondContact O-N 3.44Å; H303-C312 PolarHBondContact CD2-SG 2.98Å
304	I	91.7	Very high	88.9	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.3	178.5	-174.7	164.9	0	0	0	110	Y131 Q132 I165 H278 L311	Y131-I304 HydrophobicContact CE2-CD1 3.75Å; Y131-I304 HydrophobicContact CE2-CG1 3.74Å; Y131-I304 WeakPolarHBondContact OH-CD1 3.44Å; Q132-I304 HydrophobicContact CB-CD1 4.17Å; Q132-I304 HydrophobicContact CB-CG1 3.8Å; Q132-I304 HydrophobicContact CG-CB 4.35Å; Q132-I304 HydrophobicContact CG-CG1 4.1Å; I165-I304 HydrophobicContact CG2-CB 4.02Å; I165-I304 HydrophobicContact CG2-CD1 4.2Å; H278-I304 PolarHBondContact CE1-O 3.48Å; H278-I304 WeakPolarHBondContact NE2-CA 3.45Å; H278-I304 PolarHBondContact NE2-N 2.76Å; H278-I304 PolarHBondContact NE2-O 2.84Å; I304-L311 HydrophobicContact CG2-CB 3.78Å; I304-L311 PolarHBondContact N-O 3.29Å; I304-L311 PolarHBondContact O-N 3.35Å; I304-L311 VanDerWaalsContact O-O 3.06Å
305	D	91.4	Very high	89.2	Confident	61 Å²	61	25.1 Å²	25.1	33%	0.326	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.4	163.8	-173.8	-42.6	0	0	0	107.6	Y131 Q132 H278 P280 G308	Y131-D305 WeakPolarHBondContact CE2-O 3.41Å; Q132-D305 VanDerWaalsContact OE1-N 3.11Å; H278-D305 WeakPolarHBondContact CE1-CA 3.31Å; H278-D305 WeakPolarHBondContact CE1-CB 3.33Å; H278-D305 PolarHBondContact CE1-N 3.32Å; P280-D305 HydrophobicContact CB-CB 4.21Å; P280-D305 HydrophobicContact CG-CB 4.25Å; D305-G308 VanDerWaalsContact OD1-CA 3.31Å; D305-G308 WeakPolarHBondContact OD1-CA 3.19Å; D305-G308 PolarHBondContact OD1-N 2.77Å
306	E	87.1	Confident	89.4	Confident	17 Å²	17	24.6 Å²	24.6	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	104	173.4	-174.3	163.8	-114.9	0	0	109.1	Y131 R167 H170 G308 H309 L311	Y131-E306 HydrophobicContact CE2-CB 4.48Å; Y131-E306 WeakPolarHBondContact OH-CB 3.48Å; Y131-E306 WeakPolarHBondContact OH-CG 3.32Å; Y131-E306 PolarHBondContact OH-OE1 3.22Å; R167-E306 WeakPolarHBondContact CD-OE2 3.24Å; R167-E306 IonicContact CZ-OE2 2.68Å; R167-E306 IonicContact NE-OE2 2.7Å; R167-E306 IonicContact NH1-OE2 3.68Å; R167-E306 PolarHBondContact NH1-OE2 3.06Å; H170-E306 IonicContact CE1-OE1 3.59Å; H170-E306 PolarHBondContact CE1-OE1 3.29Å; H170-E306 IonicContact CE1-OE2 2.83Å; H170-E306 PolarHBondContact CE1-OE2 3.28Å; H170-E306 VanDerWaalsContact CE1-OE2 3.28Å; H170-E306 IonicContact ND1-OE1 2.83Å; H170-E306 PolarHBondContact ND1-OE1 3.28Å; H170-E306 IonicContact ND1-OE2 3.8Å; E306-G308 PolarHBondContact O-N 2.93Å; E306-H309 PolarHBondContact N-O 3.22Å; E306-H309 WeakPolarHBondContact O-CB 3.05Å; E306-H309 PolarHBondContact O-N 3.11Å; E306-L311 HydrophobicContact CB-CD1 4.12Å
307	N	86.8	Confident	89.5	Confident	155 Å²	155	23.4 Å²	23.4	83%	0.829	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	32.1	-179.3	-54.2	-47.4	0	0	0	114.3
308	G	86.7	Confident	89.7	Confident	55 Å²	55	22.9 Å²	22.9	57%	0.567	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-3.7	-176.8	0	0	0	0	0	114.8	D305 E306 P310	D305-G308 VanDerWaalsContact OD1-CA 3.31Å; D305-G308 WeakPolarHBondContact OD1-CA 3.19Å; D305-G308 PolarHBondContact OD1-N 2.77Å; E306-G308 PolarHBondContact O-N 2.93Å; G308-P310 WeakPolarHBondContact O-CD 3.47Å
309	H	90.9	Very high	89.9	Confident	101 Å²	101	22.5 Å²	22.5	47%	0.468	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.9	172.1	-72.3	-82.1	0	0	0	111	E272 E306 L311	E272-H309 IonicContact OE1-CE1 2.76Å; E272-H309 IonicContact OE1-CG 2.7Å; E272-H309 IonicContact OE1-ND1 2.66Å; E272-H309 PolarHBondContact OE1-ND1 2.66Å; E306-H309 PolarHBondContact N-O 3.22Å; E306-H309 WeakPolarHBondContact O-CB 3.05Å; E306-H309 PolarHBondContact O-N 3.11Å; H309-L311 HydrophobicContact CB-CD1 4.35Å; H309-L311 HydrophobicContact CB-CD2 4.16Å; H309-L311 HydrophobicContact CB-CG 3.89Å; H309-L311 PolarHBondContact O-N 3.47Å
310	P	91.3	Very high	90.3	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.104	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	63.7	-177.4	34.7	-39.3	0	0	0	112	E272 L273 P275 H278 G308	E272-P310 HydrophobicContact CG-CG 3.91Å; L273-P310 WeakPolarHBondContact CB-O 3.4Å; L273-P310 PolarHBondContact N-O 3.11Å; L273-P310 WeakPolarHBondContact O-CG 3.37Å; P275-P310 HydrophobicContact CG-CG 4.24Å; H278-P310 HydrophobicContact CB-CB 3.76Å; H278-P310 VanDerWaalsContact CD2-CA 3.44Å; H278-P310 WeakPolarHBondContact CD2-CA 3.33Å; H278-P310 PolarHBondContact CD2-O 2.74Å; G308-P310 WeakPolarHBondContact O-CD 3.47Å
311	L	92.1	Very high	90.6	Very high	18 Å²	18	23.1 Å²	23.1	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	152.1	-172.2	-59.4	179.2	0	0	0	114.1	L270 W271 E272 H278 I304 E306 H309	L270-L311 HydrophobicContact CD1-CB 4.46Å; W271-L311 CarbonylContact O-C 3.47Å; W271-L311 WeakPolarHBondContact O-CA 3.48Å; E272-L311 HydrophobicContact CB-CD2 4.07Å; E272-L311 HydrophobicContact CG-CD2 4.35Å; H278-L311 PolarHBondContact CD2-O 3.27Å; H278-L311 WeakPolarHBondContact NE2-CA 3.32Å; H278-L311 PolarHBondContact NE2-N 3.23Å; H278-L311 PolarHBondContact NE2-O 3.22Å; I304-L311 HydrophobicContact CG2-CB 3.78Å; I304-L311 PolarHBondContact N-O 3.29Å; I304-L311 PolarHBondContact O-N 3.35Å; I304-L311 VanDerWaalsContact O-O 3.06Å; E306-L311 HydrophobicContact CB-CD1 4.12Å; H309-L311 HydrophobicContact CB-CD1 4.35Å; H309-L311 HydrophobicContact CB-CD2 4.16Å; H309-L311 HydrophobicContact CB-CG 3.89Å; H309-L311 PolarHBondContact O-N 3.47Å
312	C	88.7	Confident	90.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126	171.5	-152.9	0	0	0	0	112.4	W271 L273 Y302 H303 C344	W271-C312 PolarHBondContact N-O 3.3Å; W271-C312 PolarHBondContact O-N 2.87Å; L273-C312 HydrophobicContact CD1-CB 3.64Å; L273-C312 HydrophobicContact CD2-CB 4.23Å; L273-C312 HydrophobicContact CG-CB 3.86Å; Y302-C312 WeakPolarHBondContact O-CA 3.24Å; Y302-C312 PolarHBondContact O-SG 3.29Å; H303-C312 PolarHBondContact CD2-SG 2.98Å; C312-C344 HydrophobicContact CB-CB 3.96Å; C312-C344 WeakPolarHBondContact CB-SG 3.45Å; C312-C344 WeakPolarHBondContact SG-CB 3.34Å; C312-C344 CovalentContact SG-SG 2.04Å; C312-C344 PolarHBondContact SG-SG 2.85Å
313	S	90.3	Very high	91.1	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.8	179.5	-169.8	0	0	0	0	109.8	K268 Y302 C344 L345 V346	K268-S313 VanDerWaalsContact CE-OG 3.24Å; K268-S313 WeakPolarHBondContact CE-OG 3.46Å; K268-S313 PolarHBondContact NZ-OG 2.78Å; Y302-S313 PolarHBondContact O-N 3.01Å; S313-C344 PolarHBondContact O-SG 2.91Å; S313-L345 CarbonylContact C-O 3.38Å; S313-L345 CarbonylContact O-C 3.52Å; S313-V346 VanDerWaalsContact OG-CG2 3.22Å; S313-V346 WeakPolarHBondContact OG-CG2 3.47Å
314	L	88.6	Confident	91.3	Very high	6 Å²	6	28 Å²	28	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	85.2	-158	157.1	42.5	0	0	0	116.6	E269 W271 K337 C344 L345	E269-L314 WeakPolarHBondContact CA-O 3.48Å; E269-L314 HydrophobicContact CB-CG 4.32Å; E269-L314 VanDerWaalsContact CB-O 3.23Å; E269-L314 WeakPolarHBondContact CB-O 3.12Å; E269-L314 PolarHBondContact N-O 3.4Å; E269-L314 CarbonylContact O-C 3.47Å; E269-L314 WeakPolarHBondContact O-CA 3.33Å; E269-L314 PolarHBondContact O-N 2.97Å; W271-L314 HydrophobicContact CB-CD2 4.07Å; W271-L314 HydrophobicContact CD2-CD2 3.8Å; W271-L314 HydrophobicContact CG-CD2 3.41Å; W271-L314 VanDerWaalsContact CG-CD2 3.41Å; W271-L314 HydrophobicContact CG-CG 4.28Å; W271-L314 VanDerWaalsContact NE1-CD2 3.29Å; L314-K337 HydrophobicContact CD1-CD 3.67Å; L314-K337 HydrophobicContact CD1-CG 3.89Å; L314-C344 HydrophobicContact CB-CB 4.13Å; L314-C344 HydrophobicContact CD2-CB 3.9Å; L314-C344 HydrophobicContact CG-CB 4.42Å; L314-L345 HydrophobicContact CB-CB 4.2Å; L314-L345 HydrophobicContact CD1-CB 3.57Å; L314-L345 HydrophobicContact CD1-CD1 3.27Å; L314-L345 HydrophobicContact CD1-CG 3.9Å; L314-L345 HydrophobicContact CG-CB 4.4Å
315	G	90.5	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.			trans	-153.5	-177	157.4	0	0	0	0	0	122.8	L267 L345 V346	L267-G315 CarbonylContact O-C 3.55Å; L267-G315 WeakPolarHBondContact O-CA 3.41Å; G315-L345 VanDerWaalsContact C-CD2 3.47Å; G315-L345 VanDerWaalsContact CA-CB 3.42Å; G315-L345 VanDerWaalsContact O-CB 3.3Å; G315-L345 WeakPolarHBondContact O-CB 3.36Å; G315-L345 WeakPolarHBondContact O-CD2 3.41Å; G315-V346 CarbonylContact O-C 3.51Å; G315-V346 WeakPolarHBondContact O-CA 3.49Å; G315-V346 PolarHBondContact O-N 3.05Å
316	L	90.2	Very high	91.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.144	C	C	.	.			trans	-102.9	141.1	-167.3	-166.7	66.1	0	0	0	112.9	G266 L267 P290 L291 G298 I318 E332 L333 Y336 L345	G266-L316 WeakPolarHBondContact CA-O 3.33Å; L267-L316 PolarHBondContact N-O 2.91Å; L267-L316 PolarHBondContact O-N 2.73Å; P290-L316 HydrophobicContact CG-CD2 4.47Å; L291-L316 HydrophobicContact CD2-CD2 4.29Å; G298-L316 WeakPolarHBondContact O-CD1 3.33Å; L316-I318 HydrophobicContact CD2-CD1 4.01Å; L316-I318 HydrophobicContact CD2-CG1 4.02Å; L316-I318 HydrophobicContact CG-CG1 4.15Å; L316-E332 HydrophobicContact CD2-CB 3.54Å; L316-L333 HydrophobicContact CB-CB 4.02Å; L316-L333 HydrophobicContact CB-CD1 4.21Å; L316-Y336 HydrophobicContact CD1-CD2 4.45Å; L316-L345 HydrophobicContact CB-CD2 4.08Å; L316-L345 HydrophobicContact CD1-CD2 3.76Å
317	V	91.4	Very high	92.2	Very high	14 Å²	14	25.6 Å²	25.6	9%	0.085	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.2	168.3	-176.9	0	0	0	0	110.3	I265 G297 G298	I265-V317 VanDerWaalsContact O-CA 3.32Å; I265-V317 WeakPolarHBondContact O-CA 3.36Å; G297-V317 CarbonylContact C-O 3.48Å; G297-V317 WeakPolarHBondContact CA-O 3.45Å; G298-V317 PolarHBondContact N-O 3.38Å; G298-V317 PolarHBondContact O-N 2.93Å
318	I	92.5	Very high	92.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.1	171.7	-45.4	-177.3	0	0	0	108.6	G264 I265 L291 L316 Y322 I327 P329 E332	G264-I318 CarbonylContact C-O 3.01Å; G264-I318 WeakPolarHBondContact CA-O 3.27Å; I265-I318 HydrophobicContact CG2-CB 4.21Å; I265-I318 PolarHBondContact N-O 3.39Å; I265-I318 PolarHBondContact O-N 3Å; L291-I318 HydrophobicContact CD1-CG1 4.4Å; L291-I318 HydrophobicContact CD2-CD1 3.74Å; L291-I318 HydrophobicContact CD2-CG1 3.99Å; L291-I318 HydrophobicContact CD2-CG2 4.44Å; L316-I318 HydrophobicContact CD2-CD1 4.01Å; L316-I318 HydrophobicContact CD2-CG1 4.02Å; L316-I318 HydrophobicContact CG-CG1 4.15Å; I318-Y322 HydrophobicContact CG2-CD1 3.96Å; I318-I327 HydrophobicContact CD1-CG2 4.38Å; I318-P329 HydrophobicContact CD1-CB 3.87Å; I318-P329 HydrophobicContact CD1-CG 4.35Å; I318-E332 HydrophobicContact CD1-CB 3.99Å; I318-E332 HydrophobicContact CD1-CG 4.07Å
319	A	92.9	Very high	93	Very high	2 Å²	2	19 Å²	19	2%	0.017	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137	174.3	0	0	0	0	0	111	Y263 Y296 D321 Y322	Y263-A319 WeakPolarHBondContact O-CA 3.21Å; Y296-A319 HydrophobicContact CD1-CB 3.86Å; Y296-A319 HydrophobicContact CG-CB 4.25Å; Y296-A319 WeakPolarHBondContact O-CB 3.23Å; Y296-A319 PolarHBondContact O-N 3.37Å; A319-D321 WeakPolarHBondContact CB-OD1 3.46Å; A319-D321 PolarHBondContact O-N 2.93Å; A319-D321 VanDerWaalsContact O-N 3.11Å; A319-Y322 VanDerWaalsContact O-CD1 3.31Å; A319-Y322 WeakPolarHBondContact O-CD1 3.28Å; A319-Y322 PolarHBondContact O-N 2.94Å
320	L	95.6	Very high	93.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.7	-174.7	-64.3	177.2	0	0	0	113.1	Y263 I265 Y322 D451 T550 I553 K554	Y263-L320 PolarHBondContact O-N 3.14Å; Y263-L320 VanDerWaalsContact O-N 3.11Å; I265-L320 HydrophobicContact CB-CD2 4.05Å; I265-L320 HydrophobicContact CG2-CD2 3.82Å; L320-Y322 VanDerWaalsContact C-N 3.25Å; L320-Y322 HydrophobicContact CD2-CE1 3.92Å; L320-Y322 PolarHBondContact O-N 3.17Å; L320-D451 HydrophobicContact CB-CB 3.81Å; L320-D451 WeakPolarHBondContact O-CB 3.3Å; L320-D451 VanDerWaalsContact O-O 3.11Å; L320-T550 HydrophobicContact CD1-CG2 4Å; L320-T550 HydrophobicContact CD2-CG2 3.8Å; L320-I553 HydrophobicContact CB-CG2 4.29Å; L320-I553 HydrophobicContact CD1-CB 3.87Å; L320-I553 HydrophobicContact CD1-CD1 4.16Å; L320-I553 HydrophobicContact CD1-CG2 3.55Å; L320-K554 HydrophobicContact CB-CD 4.3Å; L320-K554 HydrophobicContact CD2-CB 4.4Å; L320-K554 HydrophobicContact CD2-CG 4.35Å; L320-K554 VanDerWaalsContact O-CD 3.25Å; L320-K554 WeakPolarHBondContact O-CD 3.28Å; L320-K554 WeakPolarHBondContact O-CE 3.29Å; L320-K554 PolarHBondContact O-NZ 2.94Å
321	D	93.9	Very high	93.4	Very high	14 Å²	14	15.7 Å²	15.7	8%	0.075	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8.6	166.7	48.6	24.1	0	0	0	113.9	A319 R414 R447 A454	A319-D321 WeakPolarHBondContact CB-OD1 3.46Å; A319-D321 PolarHBondContact O-N 2.93Å; A319-D321 VanDerWaalsContact O-N 3.11Å; D321-R414 IonicContact OD1-NH2 2.74Å; D321-R414 IonicContact OD2-CZ 3.71Å; D321-R414 IonicContact OD2-NE 3.35Å; D321-R414 IonicContact OD2-NH2 3.34Å; D321-R414 PolarHBondContact OD2-NH2 2.95Å; D321-R447 IonicContact OD2-CZ 3.49Å; D321-R447 IonicContact OD2-NH1 3.52Å; D321-R447 PolarHBondContact OD2-NH1 3.18Å; D321-A454 HydrophobicContact CB-CB 4.26Å; D321-A454 VanDerWaalsContact O-CB 3.24Å; D321-A454 WeakPolarHBondContact O-CB 3.22Å
322	Y	94.2	Very high	93.5	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.02	7%	0.071	C	C	.	.			trans	-58.2	141.2	169.2	72.9	-106.3	0	0	0	111.9	I318 A319 L320 N324 I327 P329 Y519 K554	I318-Y322 HydrophobicContact CG2-CD1 3.96Å; A319-Y322 VanDerWaalsContact O-CD1 3.31Å; A319-Y322 WeakPolarHBondContact O-CD1 3.28Å; A319-Y322 PolarHBondContact O-N 2.94Å; L320-Y322 VanDerWaalsContact C-N 3.25Å; L320-Y322 HydrophobicContact CD2-CE1 3.92Å; L320-Y322 PolarHBondContact O-N 3.17Å; Y322-N324 WeakPolarHBondContact CD2-O 3.37Å; Y322-N324 WeakPolarHBondContact CE2-O 3.45Å; Y322-I327 HydrophobicContact CD1-CG2 4.5Å; Y322-I327 HydrophobicContact CD2-CB 3.91Å; Y322-I327 HydrophobicContact CD2-CD1 3.75Å; Y322-I327 HydrophobicContact CD2-CG1 4.35Å; Y322-I327 HydrophobicContact CD2-CG2 4.25Å; Y322-I327 HydrophobicContact CE1-CG2 4.39Å; Y322-I327 HydrophobicContact CE2-CB 3.79Å; Y322-I327 HydrophobicContact CE2-CG2 4.13Å; Y322-I327 HydrophobicContact CG-CD1 4Å; Y322-I327 HydrophobicContact CG-CG2 4.44Å; Y322-P329 HydrophobicContact CE1-CG 4.37Å; Y322-Y519 VanDerWaalsContact OH-CB 3.29Å; Y322-Y519 WeakPolarHBondContact OH-CB 3.15Å; Y322-K554 PolarHBondContact O-NZ 3.05Å
323	K	95.2	Very high	93.7	Very high	78 Å²	78	15.3 Å²	15.3	34%	0.339	7%	0.072	S	C	.	.			trans	-93.2	-33.3	-169.8	-55.4	169.8	-161.6	128.7	0	114	D294 T325 A454 K456	D294-K323 IonicContact OD2-NZ 3.12Å; D294-K323 PolarHBondContact OD2-NZ 3.39Å; K323-T325 PolarHBondContact O-N 2.7Å; K323-A454 VanDerWaalsContact CA-O 3.32Å; K323-A454 WeakPolarHBondContact CA-O 3.12Å; K323-K456 HydrophobicContact CB-CD 4.32Å; K323-K456 PolarHBondContact O-N 3.44Å
324	N	96	Very high	93.8	Very high	33 Å²	33	15.4 Å²	15.4	18%	0.176	7%	0.072	C	C	.	.			trans	-79.6	116.2	-171.8	-175.7	-9.6	0	0	0	111.4	Y322 Y326 I327 C461 R462	Y322-N324 WeakPolarHBondContact CD2-O 3.37Å; Y322-N324 WeakPolarHBondContact CE2-O 3.45Å; N324-Y326 PolarHBondContact O-N 3.29Å; N324-Y326 VanDerWaalsContact O-N 3.13Å; N324-Y326 WeakPolarHBondContact OD1-CB 3.42Å; N324-Y326 WeakPolarHBondContact OD1-CD2 3.41Å; N324-Y326 PolarHBondContact OD1-N 3.41Å; N324-I327 HydrophobicContact CB-CD1 3.95Å; N324-I327 HydrophobicContact CB-CG1 4.08Å; N324-I327 PolarHBondContact O-N 2.91Å; N324-I327 VanDerWaalsContact O-N 3.14Å; N324-C461 WeakPolarHBondContact OD1-CB 3.42Å; N324-R462 PolarHBondContact ND2-O 2.59Å
325	T	96.4	Very high	93.8	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.8	179.4	-163	0	0	0	0	114.6	K323 C461 Y512 R518	K323-T325 PolarHBondContact O-N 2.7Å; T325-C461 HydrophobicContact CG2-CB 4.09Å; T325-Y512 WeakPolarHBondContact CB-O 3.36Å; T325-Y512 WeakPolarHBondContact CG2-O 3.25Å; T325-Y512 PolarHBondContact OG1-O 2.95Å; T325-R518 WeakPolarHBondContact O-CD 3.25Å; T325-R518 PolarHBondContact O-NH1 2.81Å; T325-R518 VanDerWaalsContact O-NH1 3.14Å
326	Y	97.1	Very high	93.7	Very high	19 Å²	19	17.8 Å²	17.8	8%	0.075	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.9	176.2	-59.7	-66.6	0	0	0	114.5	N324 K328 S458 C461 K463 D513	N324-Y326 PolarHBondContact O-N 3.29Å; N324-Y326 VanDerWaalsContact O-N 3.13Å; N324-Y326 WeakPolarHBondContact OD1-CB 3.42Å; N324-Y326 WeakPolarHBondContact OD1-CD2 3.41Å; N324-Y326 PolarHBondContact OD1-N 3.41Å; Y326-K328 PolarHBondContact O-N 3.31Å; Y326-S458 WeakPolarHBondContact OH-CB 2.99Å; Y326-S458 PolarHBondContact OH-O 3.02Å; Y326-C461 HydrophobicContact CD2-CB 3.66Å; Y326-C461 HydrophobicContact CE2-CB 3.58Å; Y326-C461 WeakPolarHBondContact CE2-O 3.5Å; Y326-K463 HydrophobicContact CD1-CG 4.01Å; Y326-K463 HydrophobicContact CD2-CB 4.4Å; Y326-K463 HydrophobicContact CD2-CG 3.93Å; Y326-K463 HydrophobicContact CE1-CD 4.07Å; Y326-K463 VanDerWaalsContact CE1-CE 3.47Å; Y326-K463 HydrophobicContact CE1-CG 3.74Å; Y326-K463 HydrophobicContact CE2-CG 3.64Å; Y326-K463 HydrophobicContact CG-CB 4.47Å; Y326-K463 HydrophobicContact CG-CG 4.11Å; Y326-K463 WeakPolarHBondContact OH-CE 3.26Å; Y326-D513 HydrophobicContact CE1-CB 3.93Å; Y326-D513 WeakPolarHBondContact CE1-OD2 3.26Å; Y326-D513 PolarHBondContact OH-OD2 3.25Å
327	I	95.7	Very high	93.4	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.056	8%	0.082	C	C	.	.			trans	-64.9	119.5	173.9	-71.4	168.6	0	0	0	109	I318 Y322 N324 P329 E332 I464	I318-I327 HydrophobicContact CD1-CG2 4.38Å; Y322-I327 HydrophobicContact CD1-CG2 4.5Å; Y322-I327 HydrophobicContact CD2-CB 3.91Å; Y322-I327 HydrophobicContact CD2-CD1 3.75Å; Y322-I327 HydrophobicContact CD2-CG1 4.35Å; Y322-I327 HydrophobicContact CD2-CG2 4.25Å; Y322-I327 HydrophobicContact CE1-CG2 4.39Å; Y322-I327 HydrophobicContact CE2-CB 3.79Å; Y322-I327 HydrophobicContact CE2-CG2 4.13Å; Y322-I327 HydrophobicContact CG-CD1 4Å; Y322-I327 HydrophobicContact CG-CG2 4.44Å; N324-I327 HydrophobicContact CB-CD1 3.95Å; N324-I327 HydrophobicContact CB-CG1 4.08Å; N324-I327 PolarHBondContact O-N 2.91Å; N324-I327 VanDerWaalsContact O-N 3.14Å; I327-P329 HydrophobicContact CG2-CG 4.42Å; I327-E332 HydrophobicContact CG2-CG 4.4Å; I327-I464 HydrophobicContact CB-CD1 4.5Å; I327-I464 HydrophobicContact CG1-CD1 3.6Å
328	K	96	Very high	93.1	Very high	69 Å²	69	20.8 Å²	20.8	30%	0.3	10%	0.095	S	C	.	.			trans	-103.2	104.4	167	-72.7	178.2	165.6	-162.2	0	108.2	Y326 F330 E331 E332 Y466 R518	Y326-K328 PolarHBondContact O-N 3.31Å; K328-F330 PolarHBondContact O-N 3.36Å; K328-F330 VanDerWaalsContact O-N 3.11Å; K328-E331 HydrophobicContact CB-CB 4.05Å; K328-E331 HydrophobicContact CB-CG 3.46Å; K328-E331 VanDerWaalsContact CB-CG 3.46Å; K328-E331 HydrophobicContact CD-CB 4.5Å; K328-E331 HydrophobicContact CD-CG 3.26Å; K328-E331 WeakPolarHBondContact CD-OE1 3.37Å; K328-E331 HydrophobicContact CG-CG 4.04Å; K328-E331 IonicContact NZ-OE1 3.16Å; K328-E331 PolarHBondContact NZ-OE1 2.95Å; K328-E331 PolarHBondContact O-N 3.47Å; K328-E332 PolarHBondContact O-N 3.33Å; K328-E332 VanDerWaalsContact O-N 3.11Å; K328-Y466 HydrophobicContact CB-CE2 3.96Å; K328-Y466 HydrophobicContact CD-CD2 4.2Å; K328-Y466 HydrophobicContact CD-CE2 4.19Å; K328-Y466 HydrophobicContact CG-CE2 4.19Å; K328-Y466 PolarHBondContact N-OH 2.94Å; K328-Y466 VanDerWaalsContact N-OH 3.15Å; K328-R518 WeakPolarHBondContact CA-O 3.17Å; K328-R518 HydrophobicContact CG-CB 3.62Å; K328-R518 HydrophobicContact CG-CG 3.78Å
329	P	94.8	Very high	92.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-29.1	-176.9	-28.7	38	0	0	0	114.5	I265 L267 I318 Y322 I327 L333 R518	I265-P329 HydrophobicContact CD1-CB 4.18Å; I265-P329 HydrophobicContact CG2-CB 3.79Å; I265-P329 HydrophobicContact CG2-CG 3.95Å; L267-P329 HydrophobicContact CD1-CB 3.78Å; I318-P329 HydrophobicContact CD1-CB 3.87Å; I318-P329 HydrophobicContact CD1-CG 4.35Å; Y322-P329 HydrophobicContact CE1-CG 4.37Å; I327-P329 HydrophobicContact CG2-CG 4.42Å; P329-L333 PolarHBondContact O-N 2.95Å; P329-L333 VanDerWaalsContact O-N 3.16Å; P329-R518 VanDerWaalsContact CD-O 3.26Å; P329-R518 WeakPolarHBondContact CD-O 3.16Å
330	F	95.3	Very high	91.7	Very high	14 Å²	14	25.9 Å²	25.9	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-43.2	172.1	177.7	-94.7	0	0	0	113.4	L267 K328 E332 L333 Q334 F475 D476 L477 S480	L267-F330 HydrophobicContact CD2-CB 4.01Å; L267-F330 HydrophobicContact CD2-CD2 4.22Å; K328-F330 PolarHBondContact O-N 3.36Å; K328-F330 VanDerWaalsContact O-N 3.11Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.3Å; F330-L333 HydrophobicContact CD2-CD2 4.08Å; F330-L333 HydrophobicContact CE2-CD2 4.27Å; F330-L333 VanDerWaalsContact O-CB 3.26Å; F330-L333 WeakPolarHBondContact O-CB 3.48Å; F330-L333 PolarHBondContact O-N 3.02Å; F330-Q334 HydrophobicContact CD1-CG 4.13Å; F330-Q334 HydrophobicContact CE1-CG 3.55Å; F330-Q334 HydrophobicContact CE2-CG 4.29Å; F330-Q334 VanDerWaalsContact CE2-NE2 3.25Å; F330-Q334 HydrophobicContact CZ-CG 3.64Å; F330-Q334 VanDerWaalsContact CZ-NE2 3.27Å; F330-Q334 WeakPolarHBondContact O-CG 3.5Å; F330-Q334 PolarHBondContact O-N 2.96Å; F330-F475 WeakPolarHBondContact CE1-O 3.43Å; F330-F475 WeakPolarHBondContact CZ-O 3.43Å; F330-D476 WeakPolarHBondContact CZ-O 3.39Å; F330-L477 HydrophobicContact CB-CD1 4.15Å; F330-L477 HydrophobicContact CD1-CB 4.3Å; F330-L477 HydrophobicContact CD1-CD1 3.97Å; F330-L477 HydrophobicContact CD2-CD1 3.78Å; F330-L477 HydrophobicContact CE1-CB 4.16Å; F330-L477 HydrophobicContact CE1-CD1 4.36Å; F330-L477 HydrophobicContact CE2-CD1 4.19Å; F330-L477 HydrophobicContact CG-CD1 3.66Å; F330-L477 HydrophobicContact CZ-CD1 4.46Å; F330-S480 VanDerWaalsContact CE2-CB 3.5Å; F330-S480 VanDerWaalsContact CE2-OG 3.3Å; F330-S480 WeakPolarHBondContact CE2-OG 3.32Å; F330-S480 VanDerWaalsContact CZ-OG 3.24Å; F330-S480 WeakPolarHBondContact CZ-OG 3.32Å
331	E	95.1	Very high	90.6	Very high	35 Å²	35	27.9 Å²	27.9	16%	0.164	14%	0.142	C	C	.	.	H	α-helix	trans	-73.8	-29.8	-179.9	-45.9	-77.9	-159.3	0	0	111.1	K328 L333 Q334 R335 Y466	K328-E331 HydrophobicContact CB-CB 4.05Å; K328-E331 HydrophobicContact CB-CG 3.46Å; K328-E331 VanDerWaalsContact CB-CG 3.46Å; K328-E331 HydrophobicContact CD-CB 4.5Å; K328-E331 HydrophobicContact CD-CG 3.26Å; K328-E331 WeakPolarHBondContact CD-OE1 3.37Å; K328-E331 HydrophobicContact CG-CG 4.04Å; K328-E331 IonicContact NZ-OE1 3.16Å; K328-E331 PolarHBondContact NZ-OE1 2.95Å; K328-E331 PolarHBondContact O-N 3.47Å; E331-L333 VanDerWaalsContact C-N 3.31Å; E331-Q334 PolarHBondContact O-N 3.14Å; E331-R335 WeakPolarHBondContact O-CB 3.44Å; E331-R335 PolarHBondContact O-N 3.37Å; E331-Y466 HydrophobicContact CB-CD1 3.27Å; E331-Y466 HydrophobicContact CB-CD2 3.9Å; E331-Y466 HydrophobicContact CB-CE1 3.57Å; E331-Y466 HydrophobicContact CB-CE2 4.13Å; E331-Y466 HydrophobicContact CB-CG 3.45Å; E331-Y466 VanDerWaalsContact CB-CG 3.45Å; E331-Y466 HydrophobicContact CG-CD1 4.15Å; E331-Y466 HydrophobicContact CG-CD2 3.88Å; E331-Y466 HydrophobicContact CG-CE2 4.23Å; E331-Y466 HydrophobicContact CG-CG 3.82Å
332	E	93.7	Very high	89	Confident	5 Å²	5	28.3 Å²	28.3	2%	0.023	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-36.9	170.9	-59.2	-61.8	174.4	0	0	111.2	P290 L291 L316 I318 I327 K328 F330 R335 Y336 Y466	P290-E332 WeakPolarHBondContact CB-OE2 3.46Å; P290-E332 HydrophobicContact CG-CB 4.23Å; P290-E332 WeakPolarHBondContact CG-O 3.4Å; L291-E332 HydrophobicContact CD2-CB 4.32Å; L291-E332 HydrophobicContact CD2-CG 4.21Å; L316-E332 HydrophobicContact CD2-CB 3.54Å; I318-E332 HydrophobicContact CD1-CB 3.99Å; I318-E332 HydrophobicContact CD1-CG 4.07Å; I327-E332 HydrophobicContact CG2-CG 4.4Å; K328-E332 PolarHBondContact O-N 3.33Å; K328-E332 VanDerWaalsContact O-N 3.11Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.3Å; E332-R335 IonicContact OE1-NH1 2.81Å; E332-R335 IonicContact OE2-CZ 3.25Å; E332-R335 IonicContact OE2-NH1 3.15Å; E332-R335 PolarHBondContact OE2-NH1 2.98Å; E332-Y336 WeakPolarHBondContact O-CB 3.14Å; E332-Y336 PolarHBondContact O-N 2.99Å; E332-Y466 HydrophobicContact CG-CE1 4.16Å; E332-Y466 VanDerWaalsContact OE1-CE1 3.3Å; E332-Y466 WeakPolarHBondContact OE1-CE1 3.47Å; E332-Y466 PolarHBondContact OE1-OH 3.46Å
333	L	92.1	Very high	86.5	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-51.7	170.1	161.8	82.3	0	0	0	111.2	L267 E269 L316 P329 F330 E331 Y336 L345	L267-L333 HydrophobicContact CB-CD1 4.46Å; L267-L333 HydrophobicContact CB-CD2 3.89Å; L267-L333 HydrophobicContact CD2-CD2 4.01Å; E269-L333 HydrophobicContact CG-CD2 4.45Å; L316-L333 HydrophobicContact CB-CB 4.02Å; L316-L333 HydrophobicContact CB-CD1 4.21Å; P329-L333 PolarHBondContact O-N 2.95Å; P329-L333 VanDerWaalsContact O-N 3.16Å; F330-L333 HydrophobicContact CD2-CD2 4.08Å; F330-L333 HydrophobicContact CE2-CD2 4.27Å; F330-L333 VanDerWaalsContact O-CB 3.26Å; F330-L333 WeakPolarHBondContact O-CB 3.48Å; F330-L333 PolarHBondContact O-N 3.02Å; E331-L333 VanDerWaalsContact C-N 3.31Å; L333-Y336 PolarHBondContact O-N 3.41Å; L333-L345 HydrophobicContact CD1-CD1 3.94Å
334	Q	91.9	Very high	83.1	Confident	8 Å²	8	26.6 Å²	26.6	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-48.8	178.3	-59.8	-47.4	-47.9	0	0	111	E269 F330 E331 Y336 K337 T474	E269-Q334 PolarHBondContact OE1-NE2 3.45Å; F330-Q334 HydrophobicContact CD1-CG 4.13Å; F330-Q334 HydrophobicContact CE1-CG 3.55Å; F330-Q334 HydrophobicContact CE2-CG 4.29Å; F330-Q334 VanDerWaalsContact CE2-NE2 3.25Å; F330-Q334 HydrophobicContact CZ-CG 3.64Å; F330-Q334 VanDerWaalsContact CZ-NE2 3.27Å; F330-Q334 WeakPolarHBondContact O-CG 3.5Å; F330-Q334 PolarHBondContact O-N 2.96Å; E331-Q334 PolarHBondContact O-N 3.14Å; Q334-Y336 VanDerWaalsContact C-N 3.33Å; Q334-Y336 PolarHBondContact O-N 2.95Å; Q334-K337 WeakPolarHBondContact O-CB 3.44Å; Q334-K337 PolarHBondContact O-N 3.23Å; Q334-T474 HydrophobicContact CB-CG2 4.01Å; Q334-T474 WeakPolarHBondContact O-CG2 3.16Å; Q334-T474 VanDerWaalsContact OE1-CA 3.27Å
335	R	90	Very high	80.1	Confident	54 Å²	54	25 Å²	25	20%	0.204	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-37.6	-179.7	-177.9	176.1	176.8	-125.2	-1.2	112.9	W289 P290 E331 E332 K337 L338	W289-R335 HydrophobicContact CH2-CG 3.8Å; W289-R335 WeakPolarHBondContact CH2-O 3.27Å; W289-R335 HydrophobicContact CZ2-CG 3.95Å; W289-R335 VanDerWaalsContact CZ3-O 3.27Å; W289-R335 WeakPolarHBondContact CZ3-O 3.43Å; P290-R335 HydrophobicContact CB-CG 4.02Å; P290-R335 PolarHBondContact O-NH1 3.24Å; E331-R335 WeakPolarHBondContact O-CB 3.44Å; E331-R335 PolarHBondContact O-N 3.37Å; E332-R335 IonicContact OE1-NH1 2.81Å; E332-R335 IonicContact OE2-CZ 3.25Å; E332-R335 IonicContact OE2-NH1 3.15Å; E332-R335 PolarHBondContact OE2-NH1 2.98Å; R335-K337 VanDerWaalsContact C-N 3.27Å; R335-K337 PolarHBondContact O-N 2.95Å; R335-L338 WeakPolarHBondContact O-CB 3.49Å; R335-L338 PolarHBondContact O-N 3.39Å
336	Y	87.9	Confident	76.8	Confident	2 Å²	2	25 Å²	25	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-56.7	-41.2	174.2	171.6	-79.9	0	0	0	111.9	L142 T286 S299 L316 E332 L333 Q334 L338 H339 I342 C344 L345	L142-Y336 HydrophobicContact CD1-CD2 4.15Å; L142-Y336 HydrophobicContact CD1-CE2 3.65Å; T286-Y336 WeakPolarHBondContact OG1-CE2 3.41Å; S299-Y336 VanDerWaalsContact CB-CE2 3.47Å; S299-Y336 VanDerWaalsContact CB-CZ 3.46Å; S299-Y336 WeakPolarHBondContact CB-OH 3.2Å; S299-Y336 VanDerWaalsContact OG-CE2 3.27Å; S299-Y336 WeakPolarHBondContact OG-CE2 3.19Å; S299-Y336 VanDerWaalsContact OG-CZ 3.29Å; S299-Y336 PolarHBondContact OG-OH 2.98Å; L316-Y336 HydrophobicContact CD1-CD2 4.45Å; E332-Y336 WeakPolarHBondContact O-CB 3.14Å; E332-Y336 PolarHBondContact O-N 2.99Å; L333-Y336 PolarHBondContact O-N 3.41Å; Q334-Y336 VanDerWaalsContact C-N 3.33Å; Q334-Y336 PolarHBondContact O-N 2.95Å; Y336-L338 PolarHBondContact O-N 3.42Å; Y336-H339 WeakPolarHBondContact O-CB 3.32Å; Y336-H339 PolarHBondContact O-N 2.91Å; Y336-I342 HydrophobicContact CD1-CG1 4.45Å; Y336-I342 HydrophobicContact CD1-CG2 3.54Å; Y336-I342 HydrophobicContact CE1-CB 4.05Å; Y336-I342 HydrophobicContact CE1-CD1 3.87Å; Y336-I342 HydrophobicContact CE1-CG1 3.77Å; Y336-I342 HydrophobicContact CE1-CG2 3.11Å; Y336-I342 HydrophobicContact CE2-CD1 4.23Å; Y336-I342 HydrophobicContact CE2-CG1 4.24Å; Y336-I342 VanDerWaalsContact CZ-CD1 3.47Å; Y336-I342 WeakPolarHBondContact OH-CD1 3.44Å; Y336-C344 WeakPolarHBondContact CE1-O 3.38Å; Y336-C344 PolarHBondContact OH-O 3.13Å; Y336-L345 HydrophobicContact CD1-CD1 3.15Å; Y336-L345 HydrophobicContact CD1-CD2 3.63Å; Y336-L345 HydrophobicContact CD1-CG 3.38Å; Y336-L345 HydrophobicContact CD2-CD2 4.16Å; Y336-L345 HydrophobicContact CE1-CB 4.44Å; Y336-L345 HydrophobicContact CE1-CD1 3.49Å; Y336-L345 VanDerWaalsContact CE1-CD1 3.49Å; Y336-L345 HydrophobicContact CE1-CD2 3.61Å; Y336-L345 HydrophobicContact CE1-CG 3.17Å; Y336-L345 HydrophobicContact CE2-CD2 4.12Å; Y336-L345 HydrophobicContact CG-CD1 3.97Å; Y336-L345 HydrophobicContact CG-CD2 3.89Å; Y336-L345 HydrophobicContact CG-CG 4.17Å
337	K	84.5	Confident	73.4	Confident	9 Å²	9	24 Å²	24	4%	0.039	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.1	-178.1	-64.7	-177.1	-70.6	174.1	0	113.7	E269 W271 L314 Q334 R335 L345 L473 T474	E269-K337 IonicContact OE1-NZ 2.71Å; E269-K337 PolarHBondContact OE1-NZ 3.02Å; E269-K337 IonicContact OE2-NZ 2.76Å; E269-K337 PolarHBondContact OE2-NZ 3.36Å; W271-K337 HydrophobicContact CZ2-CD 4.33Å; L314-K337 HydrophobicContact CD1-CD 3.67Å; L314-K337 HydrophobicContact CD1-CG 3.89Å; Q334-K337 WeakPolarHBondContact O-CB 3.44Å; Q334-K337 PolarHBondContact O-N 3.23Å; R335-K337 VanDerWaalsContact C-N 3.27Å; R335-K337 PolarHBondContact O-N 2.95Å; K337-L345 HydrophobicContact CG-CD1 3.91Å; K337-L473 WeakPolarHBondContact CD-O 3.46Å; K337-L473 WeakPolarHBondContact CE-O 3.48Å; K337-L473 PolarHBondContact NZ-O 3.36Å; K337-T474 HydrophobicContact CB-CG2 4.42Å
338	L	85	Confident	70.5	Confident	70 Å²	70	24.5 Å²	24.5	37%	0.366	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.4	174.9	-55.4	175.8	0	0	0	113.7	R335 Y336 P467 L473 T474	R335-L338 WeakPolarHBondContact O-CB 3.49Å; R335-L338 PolarHBondContact O-N 3.39Å; Y336-L338 PolarHBondContact O-N 3.42Å; L338-P467 HydrophobicContact CD1-CB 4.25Å; L338-P467 HydrophobicContact CD1-CG 3.78Å; L338-L473 HydrophobicContact CD2-CB 4.5Å; L338-T474 HydrophobicContact CD1-CG2 4.29Å; L338-T474 HydrophobicContact CD2-CG2 3.73Å; L338-T474 HydrophobicContact CG-CG2 3.86Å
339	H	82.5	Confident	67.4	Low	5 Å²	5	23.2 Å²	23.2	2%	0.023	14%	0.14	C	C	.	.	S	Bend	trans	-72.1	134.4	177.4	-174.1	-92.3	0	0	0	111.5	L142 T143 K144 N145 Y146 R147 W289 Y336 S341 I342	L142-H339 HydrophobicContact CD1-CB 4.48Å; T143-H339 PolarHBondContact O-CD2 3.21Å; T143-H339 PolarHBondContact O-NE2 2.76Å; K144-H339 PolarHBondContact O-CD2 2.87Å; K144-H339 VanDerWaalsContact O-CD2 3.3Å; N145-H339 VanDerWaalsContact C-NE2 3.33Å; N145-H339 PolarHBondContact N-NE2 2.84Å; Y146-H339 PolarHBondContact N-NE2 2.74Å; Y146-H339 PolarHBondContact O-CE1 2.83Å; Y146-H339 PolarHBondContact O-NE2 3.01Å; R147-H339 WeakPolarHBondContact CB-CE1 3.24Å; R147-H339 PolarHBondContact N-CE1 2.64Å; W289-H339 HydrophobicContact CE3-CB 4.01Å; W289-H339 AromaticContact CE3-CD2 3.84Å; W289-H339 HydrophobicContact CZ3-CB 3.74Å; Y336-H339 WeakPolarHBondContact O-CB 3.32Å; Y336-H339 PolarHBondContact O-N 2.91Å; H339-S341 WeakPolarHBondContact CE1-CB 3.45Å; H339-S341 PolarHBondContact CE1-OG 3.5Å; H339-S341 PolarHBondContact ND1-N 3.31Å; H339-S341 PolarHBondContact ND1-OG 3.38Å; H339-S341 PolarHBondContact O-N 2.72Å; H339-I342 HydrophobicContact CB-CB 3.99Å; H339-I342 HydrophobicContact CB-CG1 3.73Å; H339-I342 WeakPolarHBondContact O-CB 3.38Å; H339-I342 PolarHBondContact O-N 2.63Å
340	P	73.6	Confident	64.5	Low	105 Å²	105	24.8 Å²	24.8	68%	0.682	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.6	-175.7	-27.8	35.8	0	0	0	116.9
341	S	71.8	Confident	62.1	Low	42 Å²	42	26.1 Å²	26.1	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.7	176.9	78.5	0	0	0	0	114.4	R147 H339	R147-S341 WeakPolarHBondContact CB-OG 3.34Å; R147-S341 WeakPolarHBondContact CD-OG 3.43Å; H339-S341 WeakPolarHBondContact CE1-CB 3.45Å; H339-S341 PolarHBondContact CE1-OG 3.5Å; H339-S341 PolarHBondContact ND1-N 3.31Å; H339-S341 PolarHBondContact ND1-OG 3.38Å; H339-S341 PolarHBondContact O-N 2.72Å
342	I	60.7	Low	59.6	Low	23 Å²	23	27.6 Å²	27.6	12%	0.118	18%	0.177	C	C	.	.			trans	-124.2	129.8	-163.5	-70.4	-50.2	0	0	0	113.4	L142 T286 Y336 H339	L142-I342 HydrophobicContact CD1-CD1 4.21Å; L142-I342 HydrophobicContact CD1-CG1 4.01Å; T286-I342 HydrophobicContact CG2-CD1 4.47Å; Y336-I342 HydrophobicContact CD1-CG1 4.45Å; Y336-I342 HydrophobicContact CD1-CG2 3.54Å; Y336-I342 HydrophobicContact CE1-CB 4.05Å; Y336-I342 HydrophobicContact CE1-CD1 3.87Å; Y336-I342 HydrophobicContact CE1-CG1 3.77Å; Y336-I342 HydrophobicContact CE1-CG2 3.11Å; Y336-I342 HydrophobicContact CE2-CD1 4.23Å; Y336-I342 HydrophobicContact CE2-CG1 4.24Å; Y336-I342 VanDerWaalsContact CZ-CD1 3.47Å; Y336-I342 WeakPolarHBondContact OH-CD1 3.44Å; H339-I342 HydrophobicContact CB-CB 3.99Å; H339-I342 HydrophobicContact CB-CG1 3.73Å; H339-I342 WeakPolarHBondContact O-CB 3.38Å; H339-I342 PolarHBondContact O-N 2.63Å
343	G	41.9	Very low	58.3	Low	46 Å²	46	29 Å²	29	47%	0.474	18%	0.184	S	C	.	.	S	Bend		-129.5	153.8	124.5	0	0	0	0	0	108.2	M301	M301-G343 WeakPolarHBondContact CE-O 3.34Å
344	C	24.4	Very low	57.5	Low	2 Å²	2	29 Å²	29	1%	0.014	18%	0.184	C	C	.	.			trans	81.7	151.8	173.1	-172.6	0	0	0	0	117.8	M301 C312 S313 L314 Y336	M301-C344 HydrophobicContact CB-CB 4.43Å; M301-C344 HydrophobicContact CG-CB 3.27Å; M301-C344 WeakPolarHBondContact CG-SG 3.36Å; M301-C344 HydrophobicContact SD-CB 4.1Å; C312-C344 HydrophobicContact CB-CB 3.96Å; C312-C344 WeakPolarHBondContact CB-SG 3.45Å; C312-C344 WeakPolarHBondContact SG-CB 3.34Å; C312-C344 CovalentContact SG-SG 2.04Å; C312-C344 PolarHBondContact SG-SG 2.85Å; S313-C344 PolarHBondContact O-SG 2.91Å; L314-C344 HydrophobicContact CB-CB 4.13Å; L314-C344 HydrophobicContact CD2-CB 3.9Å; L314-C344 HydrophobicContact CG-CB 4.42Å; Y336-C344 WeakPolarHBondContact CE1-O 3.38Å; Y336-C344 PolarHBondContact OH-O 3.13Å
345	L	31.2	Very low	56.3	Low	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.192	C	C	.	.			trans	-161.1	-158.5	-149.1	-97	152.5	0	0	0	114.1	F300 S313 L314 G315 L316 L333 Y336 K337	F300-L345 CarbonylContact C-O 3.54Å; F300-L345 VanDerWaalsContact CD2-C 3.49Å; F300-L345 WeakPolarHBondContact CD2-O 3.02Å; F300-L345 WeakPolarHBondContact CE2-O 3.14Å; F300-L345 CarbonylContact O-C 3.46Å; F300-L345 WeakPolarHBondContact O-CA 3.48Å; F300-L345 PolarHBondContact O-N 3.16Å; S313-L345 CarbonylContact C-O 3.38Å; S313-L345 CarbonylContact O-C 3.52Å; L314-L345 HydrophobicContact CB-CB 4.2Å; L314-L345 HydrophobicContact CD1-CB 3.57Å; L314-L345 HydrophobicContact CD1-CD1 3.27Å; L314-L345 HydrophobicContact CD1-CG 3.9Å; L314-L345 HydrophobicContact CG-CB 4.4Å; G315-L345 VanDerWaalsContact C-CD2 3.47Å; G315-L345 VanDerWaalsContact CA-CB 3.42Å; G315-L345 VanDerWaalsContact O-CB 3.3Å; G315-L345 WeakPolarHBondContact O-CB 3.36Å; G315-L345 WeakPolarHBondContact O-CD2 3.41Å; L316-L345 HydrophobicContact CB-CD2 4.08Å; L316-L345 HydrophobicContact CD1-CD2 3.76Å; L333-L345 HydrophobicContact CD1-CD1 3.94Å; Y336-L345 HydrophobicContact CD1-CD1 3.15Å; Y336-L345 HydrophobicContact CD1-CD2 3.63Å; Y336-L345 HydrophobicContact CD1-CG 3.38Å; Y336-L345 HydrophobicContact CD2-CD2 4.16Å; Y336-L345 HydrophobicContact CE1-CB 4.44Å; Y336-L345 HydrophobicContact CE1-CD1 3.49Å; Y336-L345 VanDerWaalsContact CE1-CD1 3.49Å; Y336-L345 HydrophobicContact CE1-CD2 3.61Å; Y336-L345 HydrophobicContact CE1-CG 3.17Å; Y336-L345 HydrophobicContact CE2-CD2 4.12Å; Y336-L345 HydrophobicContact CG-CD1 3.97Å; Y336-L345 HydrophobicContact CG-CD2 3.89Å; Y336-L345 HydrophobicContact CG-CG 4.17Å; K337-L345 HydrophobicContact CG-CD1 3.91Å
346	V	28.4	Very low	55.2	Low	0 Å²	0	28.2 Å²	28.2	0%	0	19%	0.187	C	C	.	.			trans	105.1	177.1	176.4	-110.1	0	0	0	0	118.5	L267 K268 S299 F300 S313 G315	L267-V346 WeakPolarHBondContact O-CG1 3.41Å; K268-V346 HydrophobicContact CB-CG1 3.54Å; K268-V346 HydrophobicContact CD-CG1 4.11Å; K268-V346 HydrophobicContact CD-CG2 4.31Å; K268-V346 HydrophobicContact CG-CG1 3.7Å; K268-V346 HydrophobicContact CG-CG2 4.02Å; S299-V346 CarbonylContact C-O 3.53Å; F300-V346 HydrophobicContact CD1-CB 4.1Å; F300-V346 WeakPolarHBondContact CD1-O 3.48Å; F300-V346 HydrophobicContact CD2-CB 4.25Å; F300-V346 HydrophobicContact CD2-CG2 4.23Å; F300-V346 HydrophobicContact CE1-CB 3.47Å; F300-V346 VanDerWaalsContact CE1-CB 3.47Å; F300-V346 HydrophobicContact CE1-CG2 4.13Å; F300-V346 HydrophobicContact CE2-CB 3.62Å; F300-V346 HydrophobicContact CE2-CG2 3.37Å; F300-V346 VanDerWaalsContact CG-C 3.44Å; F300-V346 HydrophobicContact CG-CB 4.43Å; F300-V346 WeakPolarHBondContact CG-O 3.33Å; F300-V346 HydrophobicContact CZ-CB 3.17Å; F300-V346 HydrophobicContact CZ-CG2 3.29Å; F300-V346 PolarHBondContact N-O 2.81Å; S313-V346 VanDerWaalsContact OG-CG2 3.22Å; S313-V346 WeakPolarHBondContact OG-CG2 3.47Å; G315-V346 CarbonylContact O-C 3.51Å; G315-V346 WeakPolarHBondContact O-CA 3.49Å; G315-V346 PolarHBondContact O-N 3.05Å
347	G	25.5	Very low	54.5	Low	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.189	C	C	.	.			cis	166.2	157.1	-11.4	0	0	0	0	0	117.5
348	C	33.5	Very low	53.9	Low	20 Å²	20	29.2 Å²	29.2	14%	0.135	19%	0.194	C	C	.	.			trans	84.4	155.7	163.8	-147	0	0	0	0	121.7	S107	S107-C348 PolarHBondContact OG-SG 3.27Å
349	T	31.1	Very low	53.4	Low	43 Å²	43	26.1 Å²	26.1	26%	0.264	18%	0.178	S	C	.	.			trans	-143.2	-7.6	-138.7	-168.8	0	0	0	0	116.8	C240 G351	C240-T349 HydrophobicContact CB-CG2 3.68Å; C240-T349 PolarHBondContact SG-OG1 2.62Å; C240-T349 VanDerWaalsContact SG-OG1 3.35Å; T349-G351 PolarHBondContact O-N 2.85Å
350	A	33.9	Very low	53.1	Low	33 Å²	33	26 Å²	26	27%	0.273	18%	0.177	S	C	.	.			trans	-75.4	43.6	-148.5	0	0	0	0	0	121.2	F352	A350-F352 VanDerWaalsContact C-N 3.32Å; A350-F352 PolarHBondContact O-N 2.9Å
351	G	45.2	Very low	53.4	Low	43 Å²	43	21.3 Å²	21.3	44%	0.443	15%	0.147	S	C	.	.	S	Bend	trans	71.6	-68.4	164.8	0	0	0	0	0	115.9	T349 L353	T349-G351 PolarHBondContact O-N 2.85Å; G351-L353 PolarHBondContact O-N 3.34Å
352	F	42.9	Very low	53.9	Low	66 Å²	66	19.5 Å²	19.5	29%	0.289	13%	0.134	S	C	.	.	S	Bend	trans	-69.7	39.1	148.4	-55.7	-49.8	0	0	0	110.7	A350 Y363 V398 I403 L407	A350-F352 VanDerWaalsContact C-N 3.32Å; A350-F352 PolarHBondContact O-N 2.9Å; F352-Y363 WeakPolarHBondContact O-CB 3.42Å; F352-Y363 WeakPolarHBondContact O-CD2 3.31Å; F352-V398 HydrophobicContact CE1-CG1 4.46Å; F352-V398 HydrophobicContact CZ-CG1 4.29Å; F352-I403 HydrophobicContact CB-CG2 4.28Å; F352-I403 HydrophobicContact CD1-CG2 3.93Å; F352-I403 HydrophobicContact CE1-CG2 4.39Å; F352-I403 HydrophobicContact CG-CG2 4.04Å; F352-L407 HydrophobicContact CB-CD1 4.05Å; F352-L407 HydrophobicContact CD1-CD1 3.58Å; F352-L407 HydrophobicContact CG-CD1 4.26Å
353	L	67.3	Low	54.9	Low	33 Å²	33	18.6 Å²	18.6	17%	0.173	13%	0.129	C	C	.	.			trans	-77.3	128.3	164.7	176.4	69.5	0	0	0	106.6	G351 P355 L407	G351-L353 PolarHBondContact O-N 3.34Å; L353-P355 HydrophobicContact CD2-CB 4.26Å; L353-P355 HydrophobicContact CG-CB 4.49Å; L353-P355 WeakPolarHBondContact O-CD 3.22Å; L353-L407 WeakPolarHBondContact O-CD2 3.44Å
354	N	74.7	Confident	56.6	Low	6 Å²	6	16.8 Å²	16.8	3%	0.032	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-81.4	101.5	156.7	179.6	-27.3	0	0	0	106.9	A356 A357 L358 K359 Y363 L407 V410	N354-A356 PolarHBondContact O-N 3.04Å; N354-A356 PolarHBondContact OD1-N 3.46Å; N354-A357 HydrophobicContact CB-CB 3.97Å; N354-A357 VanDerWaalsContact CG-CB 3.44Å; N354-A357 PolarHBondContact O-N 3.11Å; N354-A357 VanDerWaalsContact O-N 3.14Å; N354-A357 WeakPolarHBondContact OD1-CB 3.37Å; N354-A357 PolarHBondContact OD1-N 3.06Å; N354-L358 PolarHBondContact O-N 2.87Å; N354-K359 PolarHBondContact N-O 2.96Å; N354-K359 PolarHBondContact O-N 3.48Å; N354-Y363 HydrophobicContact CB-CE2 3.8Å; N354-L407 HydrophobicContact CB-CD2 4.26Å; N354-V410 HydrophobicContact CB-CG2 4.46Å
355	P	66.1	Low	59.5	Low	31 Å²	31	16.9 Å²	16.9	20%	0.201	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.5	-170.8	31.4	-37.2	0	0	0	112.1	Y296 L353 R414	Y296-P355 PolarHBondContact OH-O 3.34Å; L353-P355 HydrophobicContact CD2-CB 4.26Å; L353-P355 HydrophobicContact CG-CB 4.49Å; L353-P355 WeakPolarHBondContact O-CD 3.22Å; P355-R414 HydrophobicContact CG-CB 4.19Å
356	A	68	Low	62.3	Low	13 Å²	13	17.7 Å²	17.7	11%	0.107	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.1	175.7	0	0	0	0	0	112.1	P157 L158 N354 V410 V413	P157-A356 HydrophobicContact CB-CB 3.67Å; P157-A356 HydrophobicContact CG-CB 3.8Å; L158-A356 VanDerWaalsContact CD2-O 3.28Å; L158-A356 WeakPolarHBondContact CD2-O 3.49Å; L158-A356 WeakPolarHBondContact CG-O 3.26Å; N354-A356 PolarHBondContact O-N 3.04Å; N354-A356 PolarHBondContact OD1-N 3.46Å; A356-V410 HydrophobicContact CB-CB 4.46Å; A356-V410 HydrophobicContact CB-CG1 4.27Å; A356-V413 HydrophobicContact CB-CB 4.1Å; A356-V413 HydrophobicContact CB-CG1 3.64Å; A356-V413 HydrophobicContact CB-CG2 4.32Å
357	A	72.7	Confident	64.8	Low	4 Å²	4	18.4 Å²	18.4	3%	0.033	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-10	178.9	0	0	0	0	0	114.1	P157 N354 K359	P157-A357 HydrophobicContact CB-CB 4.33Å; P157-A357 WeakPolarHBondContact O-CB 3.48Å; N354-A357 HydrophobicContact CB-CB 3.97Å; N354-A357 VanDerWaalsContact CG-CB 3.44Å; N354-A357 PolarHBondContact O-N 3.11Å; N354-A357 VanDerWaalsContact O-N 3.14Å; N354-A357 WeakPolarHBondContact OD1-CB 3.37Å; N354-A357 PolarHBondContact OD1-N 3.06Å; A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 HydrophobicContact CB-CD 4.46Å; A357-K359 WeakPolarHBondContact O-CG 3.44Å; A357-K359 PolarHBondContact O-N 3.21Å; A357-K359 PolarHBondContact O-NZ 3.09Å
358	L	71	Confident	67.1	Low	28 Å²	28	18.6 Å²	18.6	15%	0.147	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	39.4	-171	-63	176.6	0	0	0	114	L158 N354	L158-L358 HydrophobicContact CD2-CD1 4.48Å; L158-L358 HydrophobicContact CD2-CG 4.41Å; N354-L358 PolarHBondContact O-N 2.87Å
359	K	74.5	Confident	69.7	Low	6 Å²	6	17.7 Å²	17.7	3%	0.026	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-129.5	128.4	-178.5	-65	169.8	-169.8	74.9	0	111.3	L158 N160 N354 A357	L158-K359 PolarHBondContact O-NZ 2.7Å; N160-K359 WeakPolarHBondContact OD1-CE 3.29Å; N160-K359 PolarHBondContact OD1-NZ 2.91Å; N354-K359 PolarHBondContact N-O 2.96Å; N354-K359 PolarHBondContact O-N 3.48Å; A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 HydrophobicContact CB-CD 4.46Å; A357-K359 WeakPolarHBondContact O-CG 3.44Å; A357-K359 PolarHBondContact O-N 3.21Å; A357-K359 PolarHBondContact O-NZ 3.09Å
360	G	77.4	Confident	72.4	Confident	2 Å²	2	16 Å²	16	2%	0.021	10%	0.104	C	C	.	.			trans	-131.7	-28.2	175.8	0	0	0	0	0	114.7	H362 Y363 A364	G360-H362 PolarHBondContact O-N 2.86Å; G360-Y363 PolarHBondContact O-N 2.96Å; G360-A364 WeakPolarHBondContact O-CB 3.48Å; G360-A364 PolarHBondContact O-N 3.23Å
361	V	79.4	Confident	74.6	Confident	7 Å²	7	14.9 Å²	14.9	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-55.7	-50.2	-170.8	-175.9	0	0	0	0	113	P70 I111 L168 Y363 A364 M365	P70-V361 HydrophobicContact CB-CG1 4.24Å; P70-V361 HydrophobicContact CG-CG1 4.35Å; I111-V361 HydrophobicContact CG2-CB 3.8Å; I111-V361 HydrophobicContact CG2-CG1 3.99Å; I111-V361 HydrophobicContact CG2-CG2 4.01Å; L168-V361 HydrophobicContact CD1-CG1 3.74Å; L168-V361 HydrophobicContact CD1-CG2 4.12Å; L168-V361 HydrophobicContact CD2-CG1 4.49Å; L168-V361 HydrophobicContact CD2-CG2 3.75Å; V361-Y363 PolarHBondContact O-N 3.32Å; V361-A364 WeakPolarHBondContact O-CB 3.27Å; V361-A364 PolarHBondContact O-N 3.39Å; V361-A364 VanDerWaalsContact O-N 3.16Å; V361-M365 HydrophobicContact CG1-CG 4.43Å; V361-M365 HydrophobicContact CG1-SD 4.18Å; V361-M365 WeakPolarHBondContact O-CG 3.23Å; V361-M365 PolarHBondContact O-N 2.61Å
362	H	82.1	Confident	76.5	Confident	4 Å²	4	12.9 Å²	12.9	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-69.8	-31.5	-176.3	63	-86.4	0	0	0	113.1	K112 A115 G360 K366	K112-H362 WeakPolarHBondContact O-CB 3.34Å; A115-H362 HydrophobicContact CB-CB 4.41Å; A115-H362 WeakPolarHBondContact CB-O 3.45Å; G360-H362 PolarHBondContact O-N 2.86Å; H362-K366 PolarHBondContact O-N 2.93Å; H362-K366 VanDerWaalsContact O-N 3.15Å
363	Y	82.8	Confident	78.7	Confident	3 Å²	3	11.7 Å²	11.7	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-69.7	-39.6	170.2	-55.6	-64.2	0	0	0	111.2	F352 N354 G360 V361 S367 Y402 I403 D406	F352-Y363 WeakPolarHBondContact O-CB 3.42Å; F352-Y363 WeakPolarHBondContact O-CD2 3.31Å; N354-Y363 HydrophobicContact CB-CE2 3.8Å; G360-Y363 PolarHBondContact O-N 2.96Å; V361-Y363 PolarHBondContact O-N 3.32Å; Y363-S367 WeakPolarHBondContact O-CB 3.46Å; Y363-S367 PolarHBondContact O-N 3.19Å; Y363-S367 PolarHBondContact O-OG 2.7Å; Y363-Y402 HydrophobicContact CD1-CD2 4.21Å; Y363-Y402 AromaticContact CD1-CE2 3.8Å; Y363-Y402 HydrophobicContact CD1-CE2 3.8Å; Y363-Y402 HydrophobicContact CE1-CD2 4.05Å; Y363-Y402 AromaticContact CE1-CE2 3.95Å; Y363-Y402 HydrophobicContact CE1-CE2 3.95Å; Y363-I403 HydrophobicContact CD1-CB 4.36Å; Y363-I403 HydrophobicContact CD1-CG1 4.18Å; Y363-I403 HydrophobicContact CD1-CG2 4.2Å; Y363-D406 HydrophobicContact CE1-CB 3.88Å; Y363-D406 WeakPolarHBondContact CE1-OD2 3.34Å; Y363-D406 WeakPolarHBondContact OH-CB 3.36Å; Y363-D406 PolarHBondContact OH-OD2 3.46Å
364	A	77	Confident	79.6	Confident	9 Å²	9	10.1 Å²	10.1	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-62.5	-47.7	175.8	0	0	0	0	0	111.9	S71 G360 V361 S367 G368	S71-A364 WeakPolarHBondContact CB-O 3.4Å; G360-A364 WeakPolarHBondContact O-CB 3.48Å; G360-A364 PolarHBondContact O-N 3.23Å; V361-A364 WeakPolarHBondContact O-CB 3.27Å; V361-A364 PolarHBondContact O-N 3.39Å; V361-A364 VanDerWaalsContact O-N 3.16Å; A364-S367 WeakPolarHBondContact CA-OG 3.49Å; A364-S367 PolarHBondContact O-N 3Å; A364-S367 PolarHBondContact O-OG 2.89Å; A364-G368 PolarHBondContact O-N 2.83Å
365	M	86	Confident	80.1	Confident	4 Å²	4	10 Å²	10	2%	0.02	6%	0.06	C	C	.	.	H	α-helix	trans	-55.3	-54.8	174.5	-69.3	176.5	71.8	0	0	111.5	P70 S74 A115 L116 L119 L175 V361 S367 G368 M369	P70-M365 HydrophobicContact CB-CG 4Å; S74-M365 WeakPolarHBondContact CB-O 3.43Å; S74-M365 WeakPolarHBondContact OG-CA 3.48Å; S74-M365 WeakPolarHBondContact OG-CB 3.29Å; A115-M365 HydrophobicContact CB-CB 3.69Å; A115-M365 HydrophobicContact CB-SD 4.48Å; L116-M365 HydrophobicContact CB-CE 3.95Å; L116-M365 HydrophobicContact CD1-CE 4.06Å; L119-M365 HydrophobicContact CD2-CE 4.28Å; L175-M365 HydrophobicContact CD1-CE 4.37Å; V361-M365 HydrophobicContact CG1-CG 4.43Å; V361-M365 HydrophobicContact CG1-SD 4.18Å; V361-M365 WeakPolarHBondContact O-CG 3.23Å; V361-M365 PolarHBondContact O-N 2.61Å; M365-S367 VanDerWaalsContact C-N 3.29Å; M365-S367 PolarHBondContact O-N 3.48Å; M365-G368 WeakPolarHBondContact O-CA 3.38Å; M365-G368 PolarHBondContact O-N 3.17Å; M365-M369 WeakPolarHBondContact O-CG 3.32Å; M365-M369 PolarHBondContact O-N 3Å
366	K	89.7	Confident	81.2	Confident	17 Å²	17	9.3 Å²	9.3	7%	0.074	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-32.6	179.7	-176.1	56.1	177.2	166.5	0	112.4	A115 E118 H362 G368 M369 L370 E373 Y402 I403	A115-K366 HydrophobicContact CB-CB 4.13Å; E118-K366 IonicContact OE1-NZ 2.71Å; E118-K366 PolarHBondContact OE1-NZ 2.86Å; E118-K366 WeakPolarHBondContact OE2-CD 3.31Å; E118-K366 WeakPolarHBondContact OE2-CE 3.24Å; E118-K366 IonicContact OE2-NZ 2.81Å; E118-K366 PolarHBondContact OE2-NZ 2.96Å; H362-K366 PolarHBondContact O-N 2.93Å; H362-K366 VanDerWaalsContact O-N 3.15Å; K366-G368 VanDerWaalsContact C-N 3.33Å; K366-G368 PolarHBondContact O-N 3.19Å; K366-M369 HydrophobicContact CD-CB 4.22Å; K366-M369 HydrophobicContact CD-SD 4.15Å; K366-M369 PolarHBondContact O-N 3.14Å; K366-L370 HydrophobicContact CD-CD1 4.46Å; K366-L370 HydrophobicContact CD-CD2 4.46Å; K366-L370 HydrophobicContact CD-CG 4.09Å; K366-L370 HydrophobicContact CG-CD1 4.12Å; K366-L370 HydrophobicContact CG-CG 4.25Å; K366-L370 VanDerWaalsContact O-CG 3.3Å; K366-L370 WeakPolarHBondContact O-CG 3.39Å; K366-L370 PolarHBondContact O-N 3.38Å; K366-E373 IonicContact NZ-OE1 3.93Å; K366-E373 PolarHBondContact NZ-OE1 3.29Å; K366-Y402 HydrophobicContact CB-CE1 4.35Å; K366-Y402 WeakPolarHBondContact CB-OH 3.46Å; K366-Y402 HydrophobicContact CG-CE1 3.84Å; K366-I403 HydrophobicContact CB-CD1 4.15Å; K366-I403 HydrophobicContact CG-CD1 4.12Å; K366-I403 HydrophobicContact CG-CG1 4.5Å
367	S	80	Confident	82.2	Confident	14 Å²	14	11.5 Å²	11.5	10%	0.098	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-37.5	173.4	73.8	0	0	0	0	112.3	Y363 A364 M365 L370 A371 F394	Y363-S367 WeakPolarHBondContact O-CB 3.46Å; Y363-S367 PolarHBondContact O-N 3.19Å; Y363-S367 PolarHBondContact O-OG 2.7Å; A364-S367 WeakPolarHBondContact CA-OG 3.49Å; A364-S367 PolarHBondContact O-N 3Å; A364-S367 PolarHBondContact O-OG 2.89Å; M365-S367 VanDerWaalsContact C-N 3.29Å; M365-S367 PolarHBondContact O-N 3.48Å; S367-L370 PolarHBondContact O-N 3.05Å; S367-A371 WeakPolarHBondContact O-CB 3.34Å; S367-A371 PolarHBondContact O-N 3.1Å; S367-F394 WeakPolarHBondContact O-CE2 3.25Å
368	G	73	Confident	82.8	Confident	5 Å²	5	12.3 Å²	12.3	5%	0.052	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-43.5	170.8	0	0	0	0	0	112.8	S71 A75 A364 M365 K366 A371 A372	S71-G368 WeakPolarHBondContact O-CA 3.33Å; A75-G368 WeakPolarHBondContact CA-O 3.4Å; A75-G368 WeakPolarHBondContact CB-O 3.45Å; A364-G368 PolarHBondContact O-N 2.83Å; M365-G368 WeakPolarHBondContact O-CA 3.38Å; M365-G368 PolarHBondContact O-N 3.17Å; K366-G368 VanDerWaalsContact C-N 3.33Å; K366-G368 PolarHBondContact O-N 3.19Å; G368-A371 PolarHBondContact O-N 2.8Å; G368-A372 WeakPolarHBondContact O-CB 3.46Å; G368-A372 PolarHBondContact O-N 3.42Å
369	M	89.2	Confident	83.5	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-43	177.2	-60.1	167	75.9	0	0	112.5	K78 E118 L119 M365 K366 A371 A372 E373	K78-M369 HydrophobicContact CB-CB 4.49Å; K78-M369 HydrophobicContact CB-CG 4.38Å; K78-M369 HydrophobicContact CD-CE 4.06Å; K78-M369 HydrophobicContact CG-CB 4.16Å; K78-M369 HydrophobicContact CG-CG 4.37Å; E118-M369 HydrophobicContact CB-CE 3.93Å; E118-M369 HydrophobicContact CG-CE 3.99Å; E118-M369 WeakPolarHBondContact O-CE 3.09Å; E118-M369 WeakPolarHBondContact OE1-CE 3.32Å; L119-M369 HydrophobicContact CB-CE 3.9Å; L119-M369 HydrophobicContact CB-SD 4.13Å; L119-M369 HydrophobicContact CD1-CE 3.97Å; L119-M369 HydrophobicContact CD1-CG 4.08Å; L119-M369 HydrophobicContact CD1-SD 4.25Å; M365-M369 WeakPolarHBondContact O-CG 3.32Å; M365-M369 PolarHBondContact O-N 3Å; K366-M369 HydrophobicContact CD-CB 4.22Å; K366-M369 HydrophobicContact CD-SD 4.15Å; K366-M369 PolarHBondContact O-N 3.14Å; M369-A371 VanDerWaalsContact C-N 3.32Å; M369-A371 PolarHBondContact O-N 3Å; M369-A372 WeakPolarHBondContact O-CB 3.19Å; M369-A372 PolarHBondContact O-N 2.82Å; M369-E373 WeakPolarHBondContact O-CG 3.29Å; M369-E373 PolarHBondContact O-N 3.14Å
370	L	87.2	Confident	84.1	Confident	8 Å²	8	15.1 Å²	15.1	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-68.1	-31.6	177	-66.8	173.1	0	0	0	112.2	K366 S367 A374 F394 K397 V398 I403	K366-L370 HydrophobicContact CD-CD1 4.46Å; K366-L370 HydrophobicContact CD-CD2 4.46Å; K366-L370 HydrophobicContact CD-CG 4.09Å; K366-L370 HydrophobicContact CG-CD1 4.12Å; K366-L370 HydrophobicContact CG-CG 4.25Å; K366-L370 VanDerWaalsContact O-CG 3.3Å; K366-L370 WeakPolarHBondContact O-CG 3.39Å; K366-L370 PolarHBondContact O-N 3.38Å; S367-L370 PolarHBondContact O-N 3.05Å; L370-A374 WeakPolarHBondContact O-CB 3.07Å; L370-A374 PolarHBondContact O-N 3.45Å; L370-A374 VanDerWaalsContact O-N 3.14Å; L370-F394 HydrophobicContact CB-CD2 4.33Å; L370-F394 HydrophobicContact CB-CE2 4.18Å; L370-K397 HydrophobicContact CB-CB 4.31Å; L370-K397 HydrophobicContact CD2-CB 4.17Å; L370-K397 HydrophobicContact CD2-CD 4.47Å; L370-V398 HydrophobicContact CD1-CG2 4.19Å; L370-I403 HydrophobicContact CD1-CD1 4.08Å
371	A	80.4	Confident	84.2	Confident	10 Å²	10	18.1 Å²	18.1	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-66.4	-47.1	170.4	0	0	0	0	0	110.7	S367 G368 M369 E373 A374 I375 F394	S367-A371 WeakPolarHBondContact O-CB 3.34Å; S367-A371 PolarHBondContact O-N 3.1Å; G368-A371 PolarHBondContact O-N 2.8Å; M369-A371 VanDerWaalsContact C-N 3.32Å; M369-A371 PolarHBondContact O-N 3Å; A371-E373 PolarHBondContact O-N 2.57Å; A371-A374 PolarHBondContact O-N 2.88Å; A371-I375 HydrophobicContact CB-CD1 4.46Å; A371-I375 WeakPolarHBondContact O-CB 3.4Å; A371-I375 WeakPolarHBondContact O-CD1 3.18Å; A371-I375 WeakPolarHBondContact O-CG1 3.29Å; A371-I375 PolarHBondContact O-N 3.22Å; A371-F394 HydrophobicContact CB-CD2 3.9Å; A371-F394 HydrophobicContact CB-CE2 3.7Å; A371-F394 HydrophobicContact CB-CZ 4.21Å
372	A	84.3	Confident	83.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-44.9	175.9	0	0	0	0	0	112.9	A75 K78 L79 G368 M369 I375 F376	A75-A372 HydrophobicContact CB-CB 4.46Å; A75-A372 WeakPolarHBondContact O-CB 3.36Å; K78-A372 HydrophobicContact CB-CB 3.72Å; K78-A372 HydrophobicContact CG-CB 4.14Å; L79-A372 HydrophobicContact CD2-CB 4Å; L79-A372 WeakPolarHBondContact CD2-O 3.39Å; L79-A372 HydrophobicContact CG-CB 3.71Å; G368-A372 WeakPolarHBondContact O-CB 3.46Å; G368-A372 PolarHBondContact O-N 3.42Å; M369-A372 WeakPolarHBondContact O-CB 3.19Å; M369-A372 PolarHBondContact O-N 2.82Å; A372-I375 PolarHBondContact O-N 3.22Å; A372-F376 VanDerWaalsContact O-CB 3.28Å; A372-F376 WeakPolarHBondContact O-CB 3.28Å; A372-F376 PolarHBondContact O-N 3.5Å
373	E	90.9	Very high	82.7	Confident	41 Å²	41	26.3 Å²	26.3	19%	0.192	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-50.6	173.3	-68.8	167.8	-143.2	0	0	111.7	L82 K366 M369 A371 I375 F376 E377 K397	L82-E373 HydrophobicContact CD1-CG 4.45Å; K366-E373 IonicContact NZ-OE1 3.93Å; K366-E373 PolarHBondContact NZ-OE1 3.29Å; M369-E373 WeakPolarHBondContact O-CG 3.29Å; M369-E373 PolarHBondContact O-N 3.14Å; A371-E373 PolarHBondContact O-N 2.57Å; E373-I375 PolarHBondContact O-N 2.79Å; E373-F376 PolarHBondContact O-N 2.86Å; E373-E377 WeakPolarHBondContact O-CB 3.46Å; E373-E377 WeakPolarHBondContact O-CG 3.28Å; E373-E377 PolarHBondContact O-N 2.99Å; E373-K397 HydrophobicContact CB-CD 4.04Å; E373-K397 IonicContact OE2-NZ 2.75Å; E373-K397 PolarHBondContact OE2-NZ 3.46Å
374	A	86.3	Confident	81.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-36.5	-178.9	0	0	0	0	0	113.1	L370 A371 S378 P391 F394 K397	L370-A374 WeakPolarHBondContact O-CB 3.07Å; L370-A374 PolarHBondContact O-N 3.45Å; L370-A374 VanDerWaalsContact O-N 3.14Å; A371-A374 PolarHBondContact O-N 2.88Å; A374-S378 WeakPolarHBondContact O-CB 3.44Å; A374-S378 PolarHBondContact O-N 2.11Å; A374-S378 PolarHBondContact O-OG 3.5Å; A374-P391 HydrophobicContact CB-CB 4.03Å; A374-F394 HydrophobicContact CB-CB 3.83Å; A374-K397 HydrophobicContact CB-CD 4.17Å
375	I	85.3	Confident	80.6	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-44.6	177	-68.1	164.8	0	0	0	110.2	V63 L79 C233 V235 A371 A372 E373 E377 S378 L379 P391	V63-I375 HydrophobicContact CG2-CG2 3.82Å; L79-I375 HydrophobicContact CD2-CB 4.33Å; L79-I375 HydrophobicContact CD2-CG2 4.16Å; C233-I375 HydrophobicContact CB-CG2 4.02Å; V235-I375 HydrophobicContact CG2-CD1 3.42Å; V235-I375 VanDerWaalsContact CG2-CD1 3.42Å; A371-I375 HydrophobicContact CB-CD1 4.46Å; A371-I375 WeakPolarHBondContact O-CB 3.4Å; A371-I375 WeakPolarHBondContact O-CD1 3.18Å; A371-I375 WeakPolarHBondContact O-CG1 3.29Å; A371-I375 PolarHBondContact O-N 3.22Å; A372-I375 PolarHBondContact O-N 3.22Å; E373-I375 PolarHBondContact O-N 2.79Å; I375-E377 VanDerWaalsContact C-N 3.34Å; I375-E377 PolarHBondContact O-N 3.24Å; I375-S378 CarbonylContact O-C 3.52Å; I375-S378 PolarHBondContact O-N 2.79Å; I375-S378 VanDerWaalsContact O-N 3.1Å; I375-L379 HydrophobicContact CG2-CD1 3.73Å; I375-L379 HydrophobicContact CG2-CG 4.25Å; I375-L379 WeakPolarHBondContact O-CB 3.43Å; I375-L379 VanDerWaalsContact O-CG 3.3Å; I375-L379 WeakPolarHBondContact O-CG 3.19Å; I375-L379 PolarHBondContact O-N 2.76Å; I375-P391 HydrophobicContact CG1-CB 3.8Å; I375-P391 HydrophobicContact CG1-CG 3.98Å
376	F	89.1	Confident	79.4	Confident	17 Å²	17	37.7 Å²	37.7	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-41.2	177.2	-165	-88.1	0	0	0	111.8	L79 L82 N86 K88 L90 A372 E373 F380	L79-F376 HydrophobicContact CD2-CB 4.2Å; L82-F376 HydrophobicContact CB-CB 4.45Å; L82-F376 HydrophobicContact CB-CD1 4.1Å; L82-F376 HydrophobicContact CB-CD2 3.7Å; L82-F376 HydrophobicContact CB-CE1 4.3Å; L82-F376 HydrophobicContact CB-CE2 3.93Å; L82-F376 HydrophobicContact CB-CG 3.8Å; L82-F376 HydrophobicContact CB-CZ 4.23Å; L82-F376 HydrophobicContact CD1-CB 3.85Å; L82-F376 HydrophobicContact CD1-CG 4.09Å; N86-F376 HydrophobicContact CB-CE1 3.99Å; N86-F376 HydrophobicContact CB-CZ 3.83Å; K88-F376 HydrophobicContact CB-CE2 4.4Å; K88-F376 HydrophobicContact CB-CZ 4.03Å; K88-F376 HydrophobicContact CG-CZ 3.99Å; L90-F376 HydrophobicContact CD2-CD2 4.39Å; A372-F376 VanDerWaalsContact O-CB 3.28Å; A372-F376 WeakPolarHBondContact O-CB 3.28Å; A372-F376 PolarHBondContact O-N 3.5Å; E373-F376 PolarHBondContact O-N 2.86Å; F376-F380 HydrophobicContact CD1-CD2 4.04Å; F376-F380 AromaticContact CD2-CD2 3.97Å; F376-F380 HydrophobicContact CD2-CD2 3.97Å; F376-F380 AromaticContact CD2-CE2 3.86Å; F376-F380 HydrophobicContact CD2-CE2 3.86Å; F376-F380 AromaticContact CE1-CD2 3.76Å; F376-F380 HydrophobicContact CE1-CD2 3.76Å; F376-F380 HydrophobicContact CE1-CE2 4.36Å; F376-F380 AromaticContact CE2-CD2 3.69Å; F376-F380 HydrophobicContact CE2-CD2 3.69Å; F376-F380 AromaticContact CE2-CE2 3.43Å; F376-F380 HydrophobicContact CE2-CE2 3.43Å; F376-F380 VanDerWaalsContact CE2-CE2 3.43Å; F376-F380 HydrophobicContact CG-CD2 4.13Å; F376-F380 HydrophobicContact CG-CE2 4.47Å; F376-F380 AromaticContact CZ-CD2 3.57Å; F376-F380 HydrophobicContact CZ-CD2 3.57Å; F376-F380 AromaticContact CZ-CE2 3.71Å; F376-F380 HydrophobicContact CZ-CE2 3.71Å; F376-F380 WeakPolarHBondContact O-CD2 3.45Å; F376-F380 PolarHBondContact O-N 3.06Å
377	E	88.7	Confident	78.5	Confident	59 Å²	59	39.4 Å²	39.4	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-58.2	-49.1	169.4	-74.2	172.8	-137.7	0	0	111	E373 I375 L379 F380 D381 R393 K397	E373-E377 WeakPolarHBondContact O-CB 3.46Å; E373-E377 WeakPolarHBondContact O-CG 3.28Å; E373-E377 PolarHBondContact O-N 2.99Å; I375-E377 VanDerWaalsContact C-N 3.34Å; I375-E377 PolarHBondContact O-N 3.24Å; E377-L379 VanDerWaalsContact C-N 3.3Å; E377-L379 PolarHBondContact O-N 3.12Å; E377-F380 PolarHBondContact O-N 2.89Å; E377-D381 WeakPolarHBondContact O-CB 3.38Å; E377-D381 PolarHBondContact O-N 3.14Å; E377-R393 WeakPolarHBondContact OE2-CD 3.41Å; E377-R393 IonicContact OE2-CZ 3.87Å; E377-R393 IonicContact OE2-NE 3.7Å; E377-R393 IonicContact OE2-NH1 3.92Å; E377-R393 PolarHBondContact OE2-NH1 3.47Å; E377-K397 WeakPolarHBondContact OE1-CE 3.26Å; E377-K397 IonicContact OE1-NZ 2.66Å; E377-K397 PolarHBondContact OE1-NZ 2.81Å
378	S	85.3	Confident	78.2	Confident	21 Å²	21	39.6 Å²	39.6	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-71.3	-17.9	-175.9	-53.5	0	0	0	0	114.9	A374 I375 A384	A374-S378 WeakPolarHBondContact O-CB 3.44Å; A374-S378 PolarHBondContact O-N 2.11Å; A374-S378 PolarHBondContact O-OG 3.5Å; I375-S378 CarbonylContact O-C 3.52Å; I375-S378 PolarHBondContact O-N 2.79Å; I375-S378 VanDerWaalsContact O-N 3.1Å; S378-A384 WeakPolarHBondContact O-CB 3.32Å
379	L	85.4	Confident	78.4	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-89.4	-22	175.9	-72.6	171.9	0	0	0	113.6	V63 L90 K232 I375 E377 V389	V63-L379 HydrophobicContact CG2-CD1 3.85Å; L90-L379 HydrophobicContact CD1-CD1 3.77Å; K232-L379 HydrophobicContact CB-CD2 3.75Å; K232-L379 HydrophobicContact CD-CD2 3.79Å; K232-L379 HydrophobicContact CG-CD2 4.42Å; I375-L379 HydrophobicContact CG2-CD1 3.73Å; I375-L379 HydrophobicContact CG2-CG 4.25Å; I375-L379 WeakPolarHBondContact O-CB 3.43Å; I375-L379 VanDerWaalsContact O-CG 3.3Å; I375-L379 WeakPolarHBondContact O-CG 3.19Å; I375-L379 PolarHBondContact O-N 2.76Å; E377-L379 VanDerWaalsContact C-N 3.3Å; E377-L379 PolarHBondContact O-N 3.12Å; L379-V389 HydrophobicContact CD2-CG1 4.16Å; L379-V389 HydrophobicContact CD2-CG2 3.78Å; L379-V389 HydrophobicContact CG-CG2 4.21Å
380	F	87.2	Confident	77.8	Confident	72 Å²	72	47.5 Å²	47.5	32%	0.316	30%	0.299	S	S	.	.	H	α-helix	trans	-127.9	-7.2	-172.2	-62.8	-62.5	0	0	0	115.3	K88 L90 F376 E377	K88-F380 HydrophobicContact CB-CD2 4.45Å; K88-F380 HydrophobicContact CB-CE1 4.04Å; K88-F380 HydrophobicContact CB-CE2 3.9Å; K88-F380 HydrophobicContact CB-CZ 3.67Å; K88-F380 HydrophobicContact CD-CD1 3.93Å; K88-F380 HydrophobicContact CD-CE1 3.92Å; K88-F380 HydrophobicContact CD-CG 4.42Å; K88-F380 HydrophobicContact CD-CZ 4.42Å; K88-F380 HydrophobicContact CG-CD1 4.13Å; K88-F380 HydrophobicContact CG-CD2 4.22Å; K88-F380 HydrophobicContact CG-CE1 4.06Å; K88-F380 HydrophobicContact CG-CE2 4.16Å; K88-F380 HydrophobicContact CG-CG 4.22Å; K88-F380 HydrophobicContact CG-CZ 4.08Å; L90-F380 HydrophobicContact CD1-CE2 4.17Å; L90-F380 HydrophobicContact CD1-CZ 4.2Å; F376-F380 HydrophobicContact CD1-CD2 4.04Å; F376-F380 AromaticContact CD2-CD2 3.97Å; F376-F380 HydrophobicContact CD2-CD2 3.97Å; F376-F380 AromaticContact CD2-CE2 3.86Å; F376-F380 HydrophobicContact CD2-CE2 3.86Å; F376-F380 AromaticContact CE1-CD2 3.76Å; F376-F380 HydrophobicContact CE1-CD2 3.76Å; F376-F380 HydrophobicContact CE1-CE2 4.36Å; F376-F380 AromaticContact CE2-CD2 3.69Å; F376-F380 HydrophobicContact CE2-CD2 3.69Å; F376-F380 AromaticContact CE2-CE2 3.43Å; F376-F380 HydrophobicContact CE2-CE2 3.43Å; F376-F380 VanDerWaalsContact CE2-CE2 3.43Å; F376-F380 HydrophobicContact CG-CD2 4.13Å; F376-F380 HydrophobicContact CG-CE2 4.47Å; F376-F380 AromaticContact CZ-CD2 3.57Å; F376-F380 HydrophobicContact CZ-CD2 3.57Å; F376-F380 AromaticContact CZ-CE2 3.71Å; F376-F380 HydrophobicContact CZ-CE2 3.71Å; F376-F380 WeakPolarHBondContact O-CD2 3.45Å; F376-F380 PolarHBondContact O-N 3.06Å; E377-F380 PolarHBondContact O-N 2.89Å
381	D	78.7	Confident	77.1	Confident	65 Å²	65	48.7 Å²	48.7	35%	0.348	31%	0.307	S	S	.	.	S	Bend	trans	-61.1	128.3	155.3	-169.4	-40.9	0	0	0	107.7	E377 S383 A384 R393	E377-D381 WeakPolarHBondContact O-CB 3.38Å; E377-D381 PolarHBondContact O-N 3.14Å; D381-S383 PolarHBondContact O-N 3.4Å; D381-S383 PolarHBondContact OD1-OG 2.86Å; D381-A384 PolarHBondContact O-N 2.24Å; D381-R393 IonicContact OD2-CZ 3.16Å; D381-R393 IonicContact OD2-NH1 3.62Å; D381-R393 IonicContact OD2-NH2 2.94Å; D381-R393 PolarHBondContact OD2-NH2 2.9Å
382	G	65.8	Low	76.9	Confident	91 Å²	91	52.9 Å²	52.9	94%	0.938	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	14.7	-167.6	0	0	0	0	0	115.7
383	S	64.8	Low	76.9	Confident	91 Å²	91	57.7 Å²	57.7	64%	0.636	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-1.2	-179	53.4	0	0	0	0	113.3	D381	D381-S383 PolarHBondContact O-N 3.4Å; D381-S383 PolarHBondContact OD1-OG 2.86Å
384	A	56.5	Low	76.5	Confident	43 Å²	43	58.8 Å²	58.8	36%	0.355	35%	0.354	S	S	.	.			trans	-58.9	131	-177.4	0	0	0	0	0	113.8	S378 D381 V389	S378-A384 WeakPolarHBondContact O-CB 3.32Å; D381-A384 PolarHBondContact O-N 2.24Å; A384-V389 HydrophobicContact CB-CG1 4.31Å
385	P	59.7	Low	76.1	Confident	81 Å²	81	64.4 Å²	64.4	53%	0.526	38%	0.38	S	S	.	.			trans	-60.2	153.9	170.2	-24.3	33.8	0	0	0	113.4	S387	P385-S387 VanDerWaalsContact C-N 3.29Å; P385-S387 PolarHBondContact O-N 3.28Å
386	S	60.2	Low	76.1	Confident	131 Å²	131	69.7 Å²	69.7	92%	0.916	41%	0.405	S	S	*	.	S	Bend	trans	-75.3	-8.4	-175.7	58	0	0	0	0	115.6
387	S	70.4	Confident	76	Confident	54 Å²	54	71 Å²	71	38%	0.378	41%	0.41	S	S	.	.	S	Bend	trans	-115.1	-60.5	-179.5	55.7	0	0	0	0	112.8	K232 P385	K232-S387 WeakPolarHBondContact CA-O 3.41Å; P385-S387 VanDerWaalsContact C-N 3.29Å; P385-S387 PolarHBondContact O-N 3.28Å
388	T	72.8	Confident	75.6	Confident	17 Å²	17	68.6 Å²	68.6	10%	0.104	40%	0.4	C	S	.	.			trans	-141.8	140.5	-163.6	46.8	0	0	0	0	111	D198 V203 N204 K232	D198-T388 PolarHBondContact OD2-OG1 3.34Å; V203-T388 WeakPolarHBondContact O-CG2 3.5Å; N204-T388 HydrophobicContact CB-CG2 4.25Å; K232-T388 CarbonylContact O-C 3.51Å; K232-T388 WeakPolarHBondContact O-CA 3.44Å
389	V	78.1	Confident	75.7	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	41%	0.409	C	S	.	.			trans	-119.7	129.7	-177.8	-56.1	0	0	0	0	112	K232 C233 L379 A384	K232-V389 PolarHBondContact O-N 3.31Å; C233-V389 HydrophobicContact CB-CG2 3.86Å; L379-V389 HydrophobicContact CD2-CG1 4.16Å; L379-V389 HydrophobicContact CD2-CG2 3.78Å; L379-V389 HydrophobicContact CG-CG2 4.21Å; A384-V389 HydrophobicContact CB-CG1 4.31Å
390	E	75.9	Confident	75.9	Confident	156 Å²	156	76 Å²	76	73%	0.729	44%	0.435	S	S	*	.			trans	-94.2	116.5	169.5	-172.7	-177.7	178.5	0	0	109.4	V392	E390-V392 HydrophobicContact CB-CG1 4.25Å; E390-V392 HydrophobicContact CG-CG1 3.83Å; E390-V392 PolarHBondContact O-N 3.24Å
391	P	74.2	Confident	75.9	Confident	32 Å²	32	73.5 Å²	73.5	21%	0.208	43%	0.426	C	S	.	.			trans	-79.3	63.2	-177.5	33	-35.9	0	0	0	111.9	A374 I375 R393 F394	A374-P391 HydrophobicContact CB-CB 4.03Å; I375-P391 HydrophobicContact CG1-CB 3.8Å; I375-P391 HydrophobicContact CG1-CG 3.98Å; P391-R393 PolarHBondContact O-N 3.21Å; P391-F394 WeakPolarHBondContact O-CB 3.23Å; P391-F394 PolarHBondContact O-N 2.67Å
392	V	76.2	Confident	76.4	Confident	98 Å²	98	72.9 Å²	72.9	59%	0.594	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	-172	-64.4	0	0	0	0	114.4	E390 F394	E390-V392 HydrophobicContact CB-CG1 4.25Å; E390-V392 HydrophobicContact CG-CG1 3.83Å; E390-V392 PolarHBondContact O-N 3.24Å; V392-F394 PolarHBondContact O-N 3.36Å
393	R	83.2	Confident	77.3	Confident	101 Å²	101	68.6 Å²	68.6	38%	0.381	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-12.2	175.7	-64.5	-177.5	-168.9	152.1	12.3	113.6	E377 D381 P391 E396 K397	E377-R393 WeakPolarHBondContact OE2-CD 3.41Å; E377-R393 IonicContact OE2-CZ 3.87Å; E377-R393 IonicContact OE2-NE 3.7Å; E377-R393 IonicContact OE2-NH1 3.92Å; E377-R393 PolarHBondContact OE2-NH1 3.47Å; D381-R393 IonicContact OD2-CZ 3.16Å; D381-R393 IonicContact OD2-NH1 3.62Å; D381-R393 IonicContact OD2-NH2 2.94Å; D381-R393 PolarHBondContact OD2-NH2 2.9Å; P391-R393 PolarHBondContact O-N 3.21Å; R393-E396 PolarHBondContact O-N 2.95Å; R393-K397 WeakPolarHBondContact O-CB 3.25Å; R393-K397 WeakPolarHBondContact O-CG 3.46Å; R393-K397 PolarHBondContact O-N 3.3Å
394	F	82.2	Confident	78.4	Confident	64 Å²	64	70.1 Å²	70.1	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-45.5	-179.6	174.8	-123.5	0	0	0	112.7	S367 L370 A371 A374 P391 V392 E396 K397 V398	S367-F394 WeakPolarHBondContact O-CE2 3.25Å; L370-F394 HydrophobicContact CB-CD2 4.33Å; L370-F394 HydrophobicContact CB-CE2 4.18Å; A371-F394 HydrophobicContact CB-CD2 3.9Å; A371-F394 HydrophobicContact CB-CE2 3.7Å; A371-F394 HydrophobicContact CB-CZ 4.21Å; A374-F394 HydrophobicContact CB-CB 3.83Å; P391-F394 WeakPolarHBondContact O-CB 3.23Å; P391-F394 PolarHBondContact O-N 2.67Å; V392-F394 PolarHBondContact O-N 3.36Å; F394-E396 VanDerWaalsContact C-N 3.28Å; F394-E396 PolarHBondContact O-N 3.05Å; F394-K397 PolarHBondContact O-N 3.01Å; F394-V398 HydrophobicContact CD2-CG2 3.91Å; F394-V398 HydrophobicContact CE1-CG2 4.41Å; F394-V398 HydrophobicContact CE2-CG2 3.42Å; F394-V398 VanDerWaalsContact CE2-CG2 3.42Å; F394-V398 HydrophobicContact CZ-CG2 3.72Å; F394-V398 WeakPolarHBondContact O-CG2 3.34Å; F394-V398 PolarHBondContact O-N 2.84Å
395	E	77.7	Confident	80	Confident	118 Å²	118	75.7 Å²	75.7	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-65	-36.6	-179.4	-155.1	-151.6	176.6	0	0	111.1	K399	E395-K399 HydrophobicContact CG-CD 4.47Å; E395-K399 WeakPolarHBondContact O-CB 2.91Å; E395-K399 WeakPolarHBondContact O-CD 3.38Å; E395-K399 VanDerWaalsContact O-CG 3.23Å; E395-K399 WeakPolarHBondContact O-CG 3.32Å; E395-K399 PolarHBondContact O-N 2.87Å; E395-K399 WeakPolarHBondContact OE1-CE 3.32Å; E395-K399 IonicContact OE1-NZ 2.67Å; E395-K399 PolarHBondContact OE1-NZ 2.98Å; E395-K399 IonicContact OE2-NZ 3.84Å; E395-K399 PolarHBondContact OE2-NZ 3.14Å
396	E	86.7	Confident	81.3	Confident	116 Å²	116	74.1 Å²	74.1	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-50.3	174.5	-163.7	-160	145.7	0	0	111.7	R393 F394 V398 K399 N400	R393-E396 PolarHBondContact O-N 2.95Å; F394-E396 VanDerWaalsContact C-N 3.28Å; F394-E396 PolarHBondContact O-N 3.05Å; E396-V398 VanDerWaalsContact C-N 3.27Å; E396-V398 PolarHBondContact O-N 3.32Å; E396-K399 PolarHBondContact O-N 3.09Å; E396-K399 VanDerWaalsContact O-N 3.1Å; E396-N400 WeakPolarHBondContact O-CB 3.37Å; E396-N400 PolarHBondContact O-N 3.35Å; E396-N400 PolarHBondContact OE1-ND2 3.09Å
397	K	85.5	Confident	82.5	Confident	43 Å²	43	69.4 Å²	69.4	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-53.4	-43.5	174.3	-83.2	-176.6	-171.8	-81.8	0	111.8	L370 E373 A374 E377 R393 F394 S401	L370-K397 HydrophobicContact CB-CB 4.31Å; L370-K397 HydrophobicContact CD2-CB 4.17Å; L370-K397 HydrophobicContact CD2-CD 4.47Å; E373-K397 HydrophobicContact CB-CD 4.04Å; E373-K397 IonicContact OE2-NZ 2.75Å; E373-K397 PolarHBondContact OE2-NZ 3.46Å; A374-K397 HydrophobicContact CB-CD 4.17Å; E377-K397 WeakPolarHBondContact OE1-CE 3.26Å; E377-K397 IonicContact OE1-NZ 2.66Å; E377-K397 PolarHBondContact OE1-NZ 2.81Å; R393-K397 WeakPolarHBondContact O-CB 3.25Å; R393-K397 WeakPolarHBondContact O-CG 3.46Å; R393-K397 PolarHBondContact O-N 3.3Å; F394-K397 PolarHBondContact O-N 3.01Å; K397-S401 WeakPolarHBondContact O-CB 3.3Å; K397-S401 PolarHBondContact O-N 3.16Å; K397-S401 VanDerWaalsContact O-N 3.11Å
398	V	80.7	Confident	83.4	Confident	9 Å²	9	72.8 Å²	72.8	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-47.1	175.7	171.7	0	0	0	0	111.3	F352 L370 F394 E396 N400 S401 W404	F352-V398 HydrophobicContact CE1-CG1 4.46Å; F352-V398 HydrophobicContact CZ-CG1 4.29Å; L370-V398 HydrophobicContact CD1-CG2 4.19Å; F394-V398 HydrophobicContact CD2-CG2 3.91Å; F394-V398 HydrophobicContact CE1-CG2 4.41Å; F394-V398 HydrophobicContact CE2-CG2 3.42Å; F394-V398 VanDerWaalsContact CE2-CG2 3.42Å; F394-V398 HydrophobicContact CZ-CG2 3.72Å; F394-V398 WeakPolarHBondContact O-CG2 3.34Å; F394-V398 PolarHBondContact O-N 2.84Å; E396-V398 VanDerWaalsContact C-N 3.27Å; E396-V398 PolarHBondContact O-N 3.32Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.39Å; V398-S401 WeakPolarHBondContact O-CB 3.18Å; V398-S401 PolarHBondContact O-N 3.23Å; V398-S401 VanDerWaalsContact O-N 3.1Å; V398-S401 PolarHBondContact O-OG 3.09Å; V398-W404 WeakPolarHBondContact O-CB 3.4Å
399	K	86.8	Confident	84.2	Confident	78 Å²	78	73 Å²	73	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-35.9	177.7	-77.4	166.2	-179.7	168.7	0	113.6	E395 E396 W404	E395-K399 HydrophobicContact CG-CD 4.47Å; E395-K399 WeakPolarHBondContact O-CB 2.91Å; E395-K399 WeakPolarHBondContact O-CD 3.38Å; E395-K399 VanDerWaalsContact O-CG 3.23Å; E395-K399 WeakPolarHBondContact O-CG 3.32Å; E395-K399 PolarHBondContact O-N 2.87Å; E395-K399 WeakPolarHBondContact OE1-CE 3.32Å; E395-K399 IonicContact OE1-NZ 2.67Å; E395-K399 PolarHBondContact OE1-NZ 2.98Å; E395-K399 IonicContact OE2-NZ 3.84Å; E395-K399 PolarHBondContact OE2-NZ 3.14Å; E396-K399 PolarHBondContact O-N 3.09Å; E396-K399 VanDerWaalsContact O-N 3.1Å; K399-W404 HydrophobicContact CB-CD2 4.49Å; K399-W404 HydrophobicContact CB-CG 4.41Å; K399-W404 HydrophobicContact CG-CD2 4.02Å; K399-W404 HydrophobicContact CG-CE3 4.27Å; K399-W404 HydrophobicContact CG-CG 4.44Å; K399-W404 HydrophobicContact CG-CH2 4.43Å; K399-W404 HydrophobicContact CG-CZ2 4.18Å; K399-W404 HydrophobicContact CG-CZ3 4.47Å; K399-W404 WeakPolarHBondContact O-CB 3.35Å; K399-W404 VanDerWaalsContact O-CD1 3.26Å
400	N	91.3	Very high	84.7	Confident	121 Å²	121	72.5 Å²	72.5	65%	0.647	34%	0.342	S	S	*	.	H	α-helix	trans	-83.9	-11.5	178.7	-68	-18.4	0	0	0	113.1	E396 V398	E396-N400 WeakPolarHBondContact O-CB 3.37Å; E396-N400 PolarHBondContact O-N 3.35Å; E396-N400 PolarHBondContact OE1-ND2 3.09Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.39Å
401	S	86.6	Confident	85.5	Confident	18 Å²	18	67.6 Å²	67.6	13%	0.126	32%	0.317	C	S	.	.	S	Bend	trans	-82.7	168.1	179.3	79.8	0	0	0	0	114	K397 V398 I403 W404	K397-S401 WeakPolarHBondContact O-CB 3.3Å; K397-S401 PolarHBondContact O-N 3.16Å; K397-S401 VanDerWaalsContact O-N 3.11Å; V398-S401 WeakPolarHBondContact O-CB 3.18Å; V398-S401 PolarHBondContact O-N 3.23Å; V398-S401 VanDerWaalsContact O-N 3.1Å; V398-S401 PolarHBondContact O-OG 3.09Å; S401-I403 PolarHBondContact O-N 2.81Å; S401-I403 WeakPolarHBondContact OG-CB 3.3Å; S401-I403 WeakPolarHBondContact OG-CG1 3.32Å; S401-I403 PolarHBondContact OG-N 3.03Å; S401-W404 PolarHBondContact O-N 3.25Å
402	Y	89.8	Confident	86.4	Confident	52 Å²	52	66.1 Å²	66.1	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-23.1	172.3	69.6	-100.5	0	0	0	113.4	L114 Y363 K366 W404 K405 D406	L114-Y402 HydrophobicContact CD2-CD1 4.07Å; L114-Y402 HydrophobicContact CD2-CE1 3.71Å; L114-Y402 HydrophobicContact CD2-CE2 4.36Å; L114-Y402 HydrophobicContact CG-CE1 4.37Å; Y363-Y402 HydrophobicContact CD1-CD2 4.21Å; Y363-Y402 AromaticContact CD1-CE2 3.8Å; Y363-Y402 HydrophobicContact CD1-CE2 3.8Å; Y363-Y402 HydrophobicContact CE1-CD2 4.05Å; Y363-Y402 AromaticContact CE1-CE2 3.95Å; Y363-Y402 HydrophobicContact CE1-CE2 3.95Å; K366-Y402 HydrophobicContact CB-CE1 4.35Å; K366-Y402 WeakPolarHBondContact CB-OH 3.46Å; K366-Y402 HydrophobicContact CG-CE1 3.84Å; Y402-W404 VanDerWaalsContact C-N 3.34Å; Y402-W404 PolarHBondContact O-N 3.05Å; Y402-K405 PolarHBondContact O-N 3.18Å; Y402-D406 WeakPolarHBondContact O-CB 3.38Å; Y402-D406 PolarHBondContact O-N 2.73Å
403	I	84.7	Confident	87.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-49.5	178.6	-52.7	173.4	0	0	0	109.7	F352 Y363 K366 L370 S401 L407	F352-I403 HydrophobicContact CB-CG2 4.28Å; F352-I403 HydrophobicContact CD1-CG2 3.93Å; F352-I403 HydrophobicContact CE1-CG2 4.39Å; F352-I403 HydrophobicContact CG-CG2 4.04Å; Y363-I403 HydrophobicContact CD1-CB 4.36Å; Y363-I403 HydrophobicContact CD1-CG1 4.18Å; Y363-I403 HydrophobicContact CD1-CG2 4.2Å; K366-I403 HydrophobicContact CB-CD1 4.15Å; K366-I403 HydrophobicContact CG-CD1 4.12Å; K366-I403 HydrophobicContact CG-CG1 4.5Å; L370-I403 HydrophobicContact CD1-CD1 4.08Å; S401-I403 PolarHBondContact O-N 2.81Å; S401-I403 WeakPolarHBondContact OG-CB 3.3Å; S401-I403 WeakPolarHBondContact OG-CG1 3.32Å; S401-I403 PolarHBondContact OG-N 3.03Å; I403-L407 HydrophobicContact CG2-CD1 3.77Å; I403-L407 WeakPolarHBondContact O-CB 3.3Å; I403-L407 VanDerWaalsContact O-CG 3.25Å; I403-L407 WeakPolarHBondContact O-CG 3.21Å; I403-L407 PolarHBondContact O-N 3.31Å; I403-L407 VanDerWaalsContact O-N 3.08Å
404	W	86.7	Confident	87.3	Confident	124 Å²	124	58.3 Å²	58.3	47%	0.47	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-39	-178.4	-170.2	-108.7	0	0	0	112.2	V398 K399 S401 Y402 K408	V398-W404 WeakPolarHBondContact O-CB 3.4Å; K399-W404 HydrophobicContact CB-CD2 4.49Å; K399-W404 HydrophobicContact CB-CG 4.41Å; K399-W404 HydrophobicContact CG-CD2 4.02Å; K399-W404 HydrophobicContact CG-CE3 4.27Å; K399-W404 HydrophobicContact CG-CG 4.44Å; K399-W404 HydrophobicContact CG-CH2 4.43Å; K399-W404 HydrophobicContact CG-CZ2 4.18Å; K399-W404 HydrophobicContact CG-CZ3 4.47Å; K399-W404 WeakPolarHBondContact O-CB 3.35Å; K399-W404 VanDerWaalsContact O-CD1 3.26Å; S401-W404 PolarHBondContact O-N 3.25Å; Y402-W404 VanDerWaalsContact C-N 3.34Å; Y402-W404 PolarHBondContact O-N 3.05Å; W404-K408 WeakPolarHBondContact O-CB 3.49Å; W404-K408 PolarHBondContact O-N 3.24Å
405	K	90.2	Very high	87.7	Confident	160 Å²	160	56.9 Å²	56.9	70%	0.696	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-50.1	176.8	-174.2	179.4	179	180	0	111.9	Y402 A409	Y402-K405 PolarHBondContact O-N 3.18Å; K405-A409 PolarHBondContact O-N 3.21Å; K405-A409 VanDerWaalsContact O-N 3.08Å
406	D	87.1	Confident	88.3	Confident	47 Å²	47	51.7 Å²	51.7	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-48.8	-179.4	-83.5	15.9	0	0	0	111.4	Y363 Y402 A409 V410	Y363-D406 HydrophobicContact CE1-CB 3.88Å; Y363-D406 WeakPolarHBondContact CE1-OD2 3.34Å; Y363-D406 WeakPolarHBondContact OH-CB 3.36Å; Y363-D406 PolarHBondContact OH-OD2 3.46Å; Y402-D406 WeakPolarHBondContact O-CB 3.38Å; Y402-D406 PolarHBondContact O-N 2.73Å; D406-A409 WeakPolarHBondContact O-CB 3.46Å; D406-A409 PolarHBondContact O-N 2.91Å; D406-A409 VanDerWaalsContact O-N 3.16Å; D406-V410 PolarHBondContact O-N 2.87Å
407	L	85.9	Confident	88.5	Confident	33 Å²	33	47.1 Å²	47.1	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-36.1	-179.1	-64.6	175.6	0	0	0	112	F352 L353 N354 I403 A409 V410 R411	F352-L407 HydrophobicContact CB-CD1 4.05Å; F352-L407 HydrophobicContact CD1-CD1 3.58Å; F352-L407 HydrophobicContact CG-CD1 4.26Å; L353-L407 WeakPolarHBondContact O-CD2 3.44Å; N354-L407 HydrophobicContact CB-CD2 4.26Å; I403-L407 HydrophobicContact CG2-CD1 3.77Å; I403-L407 WeakPolarHBondContact O-CB 3.3Å; I403-L407 VanDerWaalsContact O-CG 3.25Å; I403-L407 WeakPolarHBondContact O-CG 3.21Å; I403-L407 PolarHBondContact O-N 3.31Å; I403-L407 VanDerWaalsContact O-N 3.08Å; L407-A409 VanDerWaalsContact C-N 3.3Å; L407-A409 PolarHBondContact O-N 3.32Å; L407-V410 PolarHBondContact O-N 2.79Å; L407-R411 PolarHBondContact O-N 2.85Å
408	K	89.6	Confident	88.5	Confident	125 Å²	125	49.1 Å²	49.1	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-39.5	171.3	-175.9	177.9	179	-177.4	0	111.2	W404 R411	W404-K408 WeakPolarHBondContact O-CB 3.49Å; W404-K408 PolarHBondContact O-N 3.24Å; K408-R411 WeakPolarHBondContact O-CD 3.17Å; K408-R411 WeakPolarHBondContact O-CG 3.48Å; K408-R411 PolarHBondContact O-N 3.04Å; K408-R411 PolarHBondContact O-NH1 3.47Å
409	A	89.9	Confident	88.8	Confident	22 Å²	22	51.2 Å²	51.2	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-40.5	178.8	0	0	0	0	0	112.6	K405 D406 L407 Y434 G439	K405-A409 PolarHBondContact O-N 3.21Å; K405-A409 VanDerWaalsContact O-N 3.08Å; D406-A409 WeakPolarHBondContact O-CB 3.46Å; D406-A409 PolarHBondContact O-N 2.91Å; D406-A409 VanDerWaalsContact O-N 3.16Å; L407-A409 VanDerWaalsContact C-N 3.3Å; L407-A409 PolarHBondContact O-N 3.32Å; A409-Y434 HydrophobicContact CB-CE2 3.94Å; A409-Y434 WeakPolarHBondContact O-CD2 3.29Å; A409-G439 WeakPolarHBondContact O-CA 3.4Å
410	V	88.8	Confident	88.8	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-88.4	-1.5	179.4	-63.4	0	0	0	0	115.2	N354 A356 D406 L407 N412 V413 Y434	N354-V410 HydrophobicContact CB-CG2 4.46Å; A356-V410 HydrophobicContact CB-CB 4.46Å; A356-V410 HydrophobicContact CB-CG1 4.27Å; D406-V410 PolarHBondContact O-N 2.87Å; L407-V410 PolarHBondContact O-N 2.79Å; V410-N412 PolarHBondContact O-N 3.19Å; V410-V413 HydrophobicContact CB-CG2 4.27Å; V410-V413 WeakPolarHBondContact O-CB 3.39Å; V410-V413 WeakPolarHBondContact O-CG2 3.34Å; V410-V413 PolarHBondContact O-N 3.49Å; V410-Y434 HydrophobicContact CB-CE2 4.47Å; V410-Y434 HydrophobicContact CG1-CD2 4.08Å; V410-Y434 HydrophobicContact CG1-CE2 3.44Å; V410-Y434 VanDerWaalsContact CG1-CE2 3.44Å
411	R	91.5	Very high	88.7	Confident	53 Å²	53	51.7 Å²	51.7	20%	0.2	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.7	-168.9	72.7	-168.8	-177	-79	-0.6	115.4	L407 K408 P415 G439 E441 W443 T444	L407-R411 PolarHBondContact O-N 2.85Å; K408-R411 WeakPolarHBondContact O-CD 3.17Å; K408-R411 WeakPolarHBondContact O-CG 3.48Å; K408-R411 PolarHBondContact O-N 3.04Å; K408-R411 PolarHBondContact O-NH1 3.47Å; R411-P415 WeakPolarHBondContact O-CD 3.46Å; R411-G439 PolarHBondContact NH1-O 2.71Å; R411-E441 PolarHBondContact NH2-O 3.09Å; R411-W443 PolarHBondContact NE-O 3.07Å; R411-W443 PolarHBondContact NH2-O 3.43Å; R411-T444 WeakPolarHBondContact CD-OG1 3.44Å; R411-T444 HydrophobicContact CG-CG2 4.29Å; R411-T444 PolarHBondContact NE-OG1 2.96Å
412	N	93.3	Very high	88.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.011	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.4	-177.2	-67.3	-30	0	0	0	113.7	V410 S416 Y429 E441 W443 T444 L445	V410-N412 PolarHBondContact O-N 3.19Å; N412-S416 WeakPolarHBondContact O-CB 3.46Å; N412-S416 PolarHBondContact O-N 3.19Å; N412-S416 VanDerWaalsContact O-N 3.13Å; N412-Y429 HydrophobicContact CB-CE1 3.63Å; N412-Y429 WeakPolarHBondContact CB-OH 3.49Å; N412-Y429 PolarHBondContact ND2-OH 2.93Å; N412-E441 WeakPolarHBondContact CB-OE1 3.36Å; N412-E441 VanDerWaalsContact ND2-CG 3.31Å; N412-E441 WeakPolarHBondContact ND2-CG 3.44Å; N412-E441 PolarHBondContact ND2-OE1 3.49Å; N412-W443 PolarHBondContact ND2-O 2.78Å; N412-T444 WeakPolarHBondContact OD1-CA 3.24Å; N412-L445 HydrophobicContact CB-CD1 4.06Å; N412-L445 HydrophobicContact CB-CG 4.2Å; N412-L445 PolarHBondContact OD1-N 3.46Å
413	V	90.3	Very high	88.7	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-65.3	-175.9	176.9	0	0	0	0	110.9	A356 V410 S416 F417 T430	A356-V413 HydrophobicContact CB-CB 4.1Å; A356-V413 HydrophobicContact CB-CG1 3.64Å; A356-V413 HydrophobicContact CB-CG2 4.32Å; V410-V413 HydrophobicContact CB-CG2 4.27Å; V410-V413 WeakPolarHBondContact O-CB 3.39Å; V410-V413 WeakPolarHBondContact O-CG2 3.34Å; V410-V413 PolarHBondContact O-N 3.49Å; V413-S416 PolarHBondContact O-N 2.87Å; V413-S416 PolarHBondContact O-OG 2.7Å; V413-F417 HydrophobicContact CG1-CE2 4.16Å; V413-F417 VanDerWaalsContact O-CD2 3.25Å; V413-F417 WeakPolarHBondContact O-CD2 3.33Å; V413-T430 HydrophobicContact CG1-CG2 4.4Å; V413-T430 WeakPolarHBondContact CG1-OG1 3.45Å
414	R	88.4	Confident	89	Confident	29 Å²	29	55.4 Å²	55.4	11%	0.109	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-48.5	179	177.3	-177.9	175.3	171.3	3.7	112.6	T262 Y263 Y296 D321 P355 S416 F417 D451	T262-R414 PolarHBondContact O-NH1 3.06Å; T262-R414 PolarHBondContact OG1-NH1 2.84Å; Y263-R414 PolarHBondContact O-NH1 2.95Å; Y263-R414 PolarHBondContact O-NH2 3.01Å; Y296-R414 HydrophobicContact CD2-CG 4.42Å; Y296-R414 HydrophobicContact CE2-CB 4.47Å; Y296-R414 HydrophobicContact CE2-CG 4.3Å; D321-R414 IonicContact OD1-NH2 2.74Å; D321-R414 IonicContact OD2-CZ 3.71Å; D321-R414 IonicContact OD2-NE 3.35Å; D321-R414 IonicContact OD2-NH2 3.34Å; D321-R414 PolarHBondContact OD2-NH2 2.95Å; P355-R414 HydrophobicContact CG-CB 4.19Å; R414-S416 PolarHBondContact O-N 2.92Å; R414-S416 VanDerWaalsContact O-N 3.17Å; R414-F417 WeakPolarHBondContact O-CB 3.27Å; R414-F417 PolarHBondContact O-N 2.88Å; R414-F417 VanDerWaalsContact O-N 3.14Å; R414-D451 IonicContact NH2-OD1 3.64Å
415	P	90	Very high	89.2	Confident	33 Å²	33	50 Å²	50	21%	0.214	26%	0.263	C	S	.	.	H	α-helix	trans	-55.9	-31.7	179.1	-29.8	36.9	0	0	0	115.3	R411 F417 N418 L445	R411-P415 WeakPolarHBondContact O-CD 3.46Å; P415-F417 PolarHBondContact O-N 2.82Å; P415-N418 WeakPolarHBondContact O-CB 3.49Å; P415-N418 PolarHBondContact O-N 3.28Å; P415-N418 VanDerWaalsContact O-N 3.09Å; P415-L445 HydrophobicContact CB-CB 3.59Å; P415-L445 HydrophobicContact CB-CD1 4.07Å; P415-L445 HydrophobicContact CB-CG 4.49Å; P415-L445 HydrophobicContact CG-CB 4.33Å
416	S	91.7	Very high	89.3	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-23.1	179.7	69.6	0	0	0	0	114.5	N412 V413 R414 N418 S419 G426 Y429	N412-S416 WeakPolarHBondContact O-CB 3.46Å; N412-S416 PolarHBondContact O-N 3.19Å; N412-S416 VanDerWaalsContact O-N 3.13Å; V413-S416 PolarHBondContact O-N 2.87Å; V413-S416 PolarHBondContact O-OG 2.7Å; R414-S416 PolarHBondContact O-N 2.92Å; R414-S416 VanDerWaalsContact O-N 3.17Å; S416-N418 PolarHBondContact O-N 2.76Å; S416-S419 WeakPolarHBondContact O-CB 3.32Å; S416-S419 PolarHBondContact O-N 3Å; S416-S419 PolarHBondContact O-OG 2.75Å; S416-G426 WeakPolarHBondContact OG-CA 3.06Å; S416-Y429 VanDerWaalsContact CB-CG 3.4Å
417	F	89.3	Confident	89.3	Confident	21 Å²	21	42.7 Å²	42.7	9%	0.092	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.1	174.3	-71.5	-111.9	0	0	0	112.9	Y296 V413 R414 P415 S419 G422 M423 G426	Y296-F417 HydrophobicContact CD2-CB 3.77Å; Y296-F417 AromaticContact CD2-CD1 3.58Å; Y296-F417 HydrophobicContact CD2-CD1 3.58Å; Y296-F417 HydrophobicContact CD2-CD2 4.01Å; Y296-F417 HydrophobicContact CD2-CE1 4.18Å; Y296-F417 AromaticContact CD2-CG 3.52Å; Y296-F417 HydrophobicContact CD2-CG 3.52Å; Y296-F417 HydrophobicContact CE2-CB 4.44Å; Y296-F417 AromaticContact CE2-CD1 3.91Å; Y296-F417 HydrophobicContact CE2-CD1 3.91Å; Y296-F417 AromaticContact CE2-CD2 3.82Å; Y296-F417 HydrophobicContact CE2-CD2 3.82Å; Y296-F417 HydrophobicContact CE2-CE1 4.1Å; Y296-F417 HydrophobicContact CE2-CE2 4.02Å; Y296-F417 AromaticContact CE2-CG 3.81Å; Y296-F417 HydrophobicContact CE2-CG 3.81Å; Y296-F417 HydrophobicContact CE2-CZ 4.16Å; V413-F417 HydrophobicContact CG1-CE2 4.16Å; V413-F417 VanDerWaalsContact O-CD2 3.25Å; V413-F417 WeakPolarHBondContact O-CD2 3.33Å; R414-F417 WeakPolarHBondContact O-CB 3.27Å; R414-F417 PolarHBondContact O-N 2.88Å; R414-F417 VanDerWaalsContact O-N 3.14Å; P415-F417 PolarHBondContact O-N 2.82Å; F417-S419 PolarHBondContact O-N 2.98Å; F417-G422 CarbonylContact O-C 3.59Å; F417-G422 WeakPolarHBondContact O-CA 3.26Å; F417-M423 HydrophobicContact CD1-CB 4.48Å; F417-M423 HydrophobicContact CE1-CG 4.29Å; F417-G426 VanDerWaalsContact CD2-CA 3.47Å; F417-G426 VanDerWaalsContact CE2-CA 3.49Å
418	N	87	Confident	89.6	Confident	84 Å²	84	46.9 Å²	46.9	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	7.9	176.8	-64.3	-21.7	0	0	0	113.2	P415 S416	P415-N418 WeakPolarHBondContact O-CB 3.49Å; P415-N418 PolarHBondContact O-N 3.28Å; P415-N418 VanDerWaalsContact O-N 3.09Å; S416-N418 PolarHBondContact O-N 2.76Å
419	S	86.7	Confident	89.8	Confident	54 Å²	54	42.4 Å²	42.4	38%	0.378	23%	0.234	S	C	.	.	S	Bend	trans	-71.9	164.6	170.4	62.6	0	0	0	0	111.7	S416 F417 L421 G422	S416-S419 WeakPolarHBondContact O-CB 3.32Å; S416-S419 PolarHBondContact O-N 3Å; S416-S419 PolarHBondContact O-OG 2.75Å; F417-S419 PolarHBondContact O-N 2.98Å; S419-L421 PolarHBondContact O-N 3.1Å; S419-G422 PolarHBondContact O-N 3.04Å
420	A	87	Confident	89.8	Confident	99 Å²	99	42.3 Å²	42.3	82%	0.818	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18	177	0	0	0	0	0	114
421	L	89.1	Confident	89.8	Confident	109 Å²	109	43.6 Å²	43.6	57%	0.571	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.4	176	-59.6	178.4	0	0	0	113.4	S419 M423 Y424 G425	S419-L421 PolarHBondContact O-N 3.1Å; L421-M423 PolarHBondContact O-N 2.87Å; L421-Y424 PolarHBondContact O-N 3.19Å; L421-Y424 VanDerWaalsContact O-N 3.16Å; L421-G425 PolarHBondContact O-N 2.98Å
422	G	89.5	Confident	89.8	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	54.8	-133.6	176.5	0	0	0	0	0	113.4	Y293 F417 S419 Y424 G425 G426	Y293-G422 CarbonylContact O-C 3.18Å; Y293-G422 WeakPolarHBondContact O-CA 3.28Å; F417-G422 CarbonylContact O-C 3.59Å; F417-G422 WeakPolarHBondContact O-CA 3.26Å; S419-G422 PolarHBondContact O-N 3.04Å; G422-Y424 VanDerWaalsContact C-N 3.26Å; G422-Y424 PolarHBondContact O-N 3.41Å; G422-G425 PolarHBondContact O-N 3.44Å; G422-G425 VanDerWaalsContact O-N 3.14Å; G422-G426 PolarHBondContact O-N 3.28Å
423	M	87.2	Confident	89.8	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-48.2	-42.3	174.1	-176.8	179.8	69	0	0	113.6	I141 L287 G288 Y293 F417 L421 G426 L427	I141-M423 HydrophobicContact CG2-CE 4.15Å; L287-M423 HydrophobicContact CB-SD 3.96Å; G288-M423 PolarHBondContact N-SD 2.86Å; Y293-M423 WeakPolarHBondContact O-CB 3.34Å; Y293-M423 PolarHBondContact O-N 3.28Å; F417-M423 HydrophobicContact CD1-CB 4.48Å; F417-M423 HydrophobicContact CE1-CG 4.29Å; L421-M423 PolarHBondContact O-N 2.87Å; M423-G426 PolarHBondContact O-N 3.21Å; M423-L427 HydrophobicContact CG-CD1 3.95Å; M423-L427 HydrophobicContact CG-CG 4.48Å; M423-L427 WeakPolarHBondContact O-CB 3.33Å; M423-L427 VanDerWaalsContact O-CG 3.28Å; M423-L427 WeakPolarHBondContact O-CG 3.5Å; M423-L427 PolarHBondContact O-N 3.45Å
424	Y	89.8	Confident	89.7	Confident	131 Å²	131	50.5 Å²	50.5	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-70.7	-39.5	-177.8	-56.4	-70.4	0	0	0	111.8	L421 G422 L428	L421-Y424 PolarHBondContact O-N 3.19Å; L421-Y424 VanDerWaalsContact O-N 3.16Å; G422-Y424 VanDerWaalsContact C-N 3.26Å; G422-Y424 PolarHBondContact O-N 3.41Å; Y424-L428 WeakPolarHBondContact O-CB 3.36Å; Y424-L428 VanDerWaalsContact O-CG 3.28Å; Y424-L428 WeakPolarHBondContact O-CG 3.32Å; Y424-L428 PolarHBondContact O-N 3.49Å
425	G	92	Very high	89.7	Confident	10 Å²	10	50.4 Å²	50.4	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-43.4	172	0	0	0	0	0	112.2	L421 G422 L428 Y429	L421-G425 PolarHBondContact O-N 2.98Å; G422-G425 PolarHBondContact O-N 3.44Å; G422-G425 VanDerWaalsContact O-N 3.14Å; G425-L428 PolarHBondContact O-N 3.48Å; G425-Y429 WeakPolarHBondContact O-CB 3.1Å; G425-Y429 PolarHBondContact O-N 3.44Å
426	G	90.5	Very high	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-41.6	177.6	0	0	0	0	0	114.1	S416 F417 G422 M423 T430	S416-G426 WeakPolarHBondContact OG-CA 3.06Å; F417-G426 VanDerWaalsContact CD2-CA 3.47Å; F417-G426 VanDerWaalsContact CE2-CA 3.49Å; G422-G426 PolarHBondContact O-N 3.28Å; M423-G426 PolarHBondContact O-N 3.21Å; G426-T430 WeakPolarHBondContact O-CB 3.3Å; G426-T430 PolarHBondContact O-N 3Å; G426-T430 PolarHBondContact O-OG1 3.12Å
427	L	88.6	Confident	89.4	Confident	54 Å²	54	56.6 Å²	56.6	28%	0.283	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-45	174.7	-74.3	168.9	0	0	0	112.1	I141 L287 M423 T430 G431	I141-L427 HydrophobicContact CD1-CD1 3.76Å; L287-L427 HydrophobicContact CD1-CD2 3.87Å; M423-L427 HydrophobicContact CG-CD1 3.95Å; M423-L427 HydrophobicContact CG-CG 4.48Å; M423-L427 WeakPolarHBondContact O-CB 3.33Å; M423-L427 VanDerWaalsContact O-CG 3.28Å; M423-L427 WeakPolarHBondContact O-CG 3.5Å; M423-L427 PolarHBondContact O-N 3.45Å; L427-T430 PolarHBondContact O-N 2.87Å; L427-G431 PolarHBondContact O-N 3.32Å
428	L	91.5	Very high	89.4	Confident	122 Å²	122	61 Å²	61	64%	0.639	33%	0.334	S	S	*	.	H	α-helix	trans	-62.6	-44.8	176.5	-72.7	168.7	0	0	0	111.9	Y424 G425 T430 G431 M432	Y424-L428 WeakPolarHBondContact O-CB 3.36Å; Y424-L428 VanDerWaalsContact O-CG 3.28Å; Y424-L428 WeakPolarHBondContact O-CG 3.32Å; Y424-L428 PolarHBondContact O-N 3.49Å; G425-L428 PolarHBondContact O-N 3.48Å; L428-T430 VanDerWaalsContact C-N 3.34Å; L428-T430 PolarHBondContact O-N 3.04Å; L428-G431 PolarHBondContact O-N 3.03Å; L428-M432 WeakPolarHBondContact O-CB 2.93Å; L428-M432 PolarHBondContact O-N 3.38Å
429	Y	93.7	Very high	89.5	Confident	31 Å²	31	57.1 Å²	57.1	12%	0.122	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-45	174.7	-170.1	-74	0	0	0	111.2	N412 S416 G425 G431 M432 F433 E441 W443 L445	N412-Y429 HydrophobicContact CB-CE1 3.63Å; N412-Y429 WeakPolarHBondContact CB-OH 3.49Å; N412-Y429 PolarHBondContact ND2-OH 2.93Å; S416-Y429 VanDerWaalsContact CB-CG 3.4Å; G425-Y429 WeakPolarHBondContact O-CB 3.1Å; G425-Y429 PolarHBondContact O-N 3.44Å; Y429-G431 PolarHBondContact O-N 3.45Å; Y429-M432 PolarHBondContact O-N 2.97Å; Y429-F433 HydrophobicContact CD1-CB 4.12Å; Y429-F433 AromaticContact CD1-CD2 3.83Å; Y429-F433 HydrophobicContact CD1-CD2 3.83Å; Y429-F433 HydrophobicContact CD1-CG 4.41Å; Y429-F433 AromaticContact CD2-CD2 3.52Å; Y429-F433 HydrophobicContact CD2-CD2 3.52Å; Y429-F433 AromaticContact CD2-CE2 3.75Å; Y429-F433 HydrophobicContact CD2-CE2 3.75Å; Y429-F433 HydrophobicContact CE1-CB 3.65Å; Y429-F433 AromaticContact CE1-CD2 3.66Å; Y429-F433 HydrophobicContact CE1-CD2 3.66Å; Y429-F433 AromaticContact CE1-CG 3.94Å; Y429-F433 HydrophobicContact CE1-CG 3.94Å; Y429-F433 AromaticContact CE2-CD2 3.38Å; Y429-F433 HydrophobicContact CE2-CD2 3.38Å; Y429-F433 AromaticContact CE2-CE2 3.58Å; Y429-F433 HydrophobicContact CE2-CE2 3.58Å; Y429-F433 HydrophobicContact CE2-CG 4.22Å; Y429-F433 AromaticContact CG-CD2 3.72Å; Y429-F433 HydrophobicContact CG-CD2 3.72Å; Y429-F433 HydrophobicContact CG-CE2 4.36Å; Y429-F433 AromaticContact CZ-CD2 3.42Å; Y429-F433 VanDerWaalsContact CZ-CD2 3.42Å; Y429-F433 AromaticContact CZ-CG 3.82Å; Y429-F433 PolarHBondContact O-N 3.49Å; Y429-E441 WeakPolarHBondContact CE1-OE1 3.22Å; Y429-E441 PolarHBondContact OH-OE1 3.16Å; Y429-W443 PolarHBondContact OH-NE1 3.03Å; Y429-L445 HydrophobicContact CE2-CD1 4.08Å
430	T	89.9	Confident	89.7	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.117	33%	0.333	C	S	.	.	I	π-helix	trans	-62	-43.2	179.4	-56.6	0	0	0	0	111.5	P157 V413 G426 L427 L428 Y434 V435	P157-T430 HydrophobicContact CG-CG2 4.45Å; V413-T430 HydrophobicContact CG1-CG2 4.4Å; V413-T430 WeakPolarHBondContact CG1-OG1 3.45Å; G426-T430 WeakPolarHBondContact O-CB 3.3Å; G426-T430 PolarHBondContact O-N 3Å; G426-T430 PolarHBondContact O-OG1 3.12Å; L427-T430 PolarHBondContact O-N 2.87Å; L428-T430 VanDerWaalsContact C-N 3.34Å; L428-T430 PolarHBondContact O-N 3.04Å; T430-Y434 WeakPolarHBondContact O-CA 3.28Å; T430-Y434 WeakPolarHBondContact O-CB 3.32Å; T430-Y434 PolarHBondContact O-N 3.49Å; T430-Y434 VanDerWaalsContact O-N 3.12Å; T430-V435 PolarHBondContact O-N 3.31Å
431	G	89.5	Confident	90	Very high	31 Å²	31	57.6 Å²	57.6	32%	0.32	30%	0.298	S	S	.	.	I	π-helix	trans	-59.7	-52.6	173.7	0	0	0	0	0	112.3	L427 L428 Y429 V435 L436	L427-G431 PolarHBondContact O-N 3.32Å; L428-G431 PolarHBondContact O-N 3.03Å; Y429-G431 PolarHBondContact O-N 3.45Å; G431-V435 WeakPolarHBondContact O-CB 3.17Å; G431-V435 PolarHBondContact O-N 2.83Å; G431-L436 PolarHBondContact O-N 3.07Å; G431-L436 VanDerWaalsContact O-N 3.17Å
432	M	91.4	Very high	90.2	Very high	115 Å²	115	58.4 Å²	58.4	57%	0.567	31%	0.31	S	S	*	.	I	π-helix	trans	-71.4	-49.9	-172.9	-169.8	158.2	68.4	0	0	113.4	L428 Y429 L436 G437	L428-M432 WeakPolarHBondContact O-CB 2.93Å; L428-M432 PolarHBondContact O-N 3.38Å; Y429-M432 PolarHBondContact O-N 2.97Å; M432-L436 WeakPolarHBondContact O-CB 3.39Å; M432-G437 PolarHBondContact O-N 3.03Å
433	F	92.5	Very high	90.4	Very high	51 Å²	51	63.7 Å²	63.7	22%	0.224	33%	0.329	C	S	.	.	I	π-helix	trans	-93.8	-30.4	-172.7	-65.5	-71.5	0	0	0	114	Y429 G437 R438 G439 E441 W443	Y429-F433 HydrophobicContact CD1-CB 4.12Å; Y429-F433 AromaticContact CD1-CD2 3.83Å; Y429-F433 HydrophobicContact CD1-CD2 3.83Å; Y429-F433 HydrophobicContact CD1-CG 4.41Å; Y429-F433 AromaticContact CD2-CD2 3.52Å; Y429-F433 HydrophobicContact CD2-CD2 3.52Å; Y429-F433 AromaticContact CD2-CE2 3.75Å; Y429-F433 HydrophobicContact CD2-CE2 3.75Å; Y429-F433 HydrophobicContact CE1-CB 3.65Å; Y429-F433 AromaticContact CE1-CD2 3.66Å; Y429-F433 HydrophobicContact CE1-CD2 3.66Å; Y429-F433 AromaticContact CE1-CG 3.94Å; Y429-F433 HydrophobicContact CE1-CG 3.94Å; Y429-F433 AromaticContact CE2-CD2 3.38Å; Y429-F433 HydrophobicContact CE2-CD2 3.38Å; Y429-F433 AromaticContact CE2-CE2 3.58Å; Y429-F433 HydrophobicContact CE2-CE2 3.58Å; Y429-F433 HydrophobicContact CE2-CG 4.22Å; Y429-F433 AromaticContact CG-CD2 3.72Å; Y429-F433 HydrophobicContact CG-CD2 3.72Å; Y429-F433 HydrophobicContact CG-CE2 4.36Å; Y429-F433 AromaticContact CZ-CD2 3.42Å; Y429-F433 VanDerWaalsContact CZ-CD2 3.42Å; Y429-F433 AromaticContact CZ-CG 3.82Å; Y429-F433 PolarHBondContact O-N 3.49Å; F433-G437 CarbonylContact O-C 3.47Å; F433-G437 WeakPolarHBondContact O-CA 3.13Å; F433-G437 PolarHBondContact O-N 3.5Å; F433-R438 PolarHBondContact O-N 2.99Å; F433-G439 PolarHBondContact O-N 3.14Å; F433-E441 HydrophobicContact CD1-CB 4.5Å; F433-W443 HydrophobicContact CD1-CH2 4.48Å; F433-W443 HydrophobicContact CD1-CZ2 4.03Å; F433-W443 AromaticContact CE1-CH2 3.76Å; F433-W443 HydrophobicContact CE1-CH2 3.76Å; F433-W443 AromaticContact CE1-CZ2 3.52Å; F433-W443 HydrophobicContact CE1-CZ2 3.52Å; F433-W443 HydrophobicContact CZ-CH2 4.24Å; F433-W443 AromaticContact CZ-CZ2 3.81Å; F433-W443 HydrophobicContact CZ-CZ2 3.81Å
434	Y	89.7	Confident	90.7	Very high	41 Å²	41	67.1 Å²	67.1	16%	0.161	35%	0.351	C	S	.	.	I	π-helix	trans	-98.1	-47.8	179.4	-171.6	-87	0	0	0	113.6	G155 P157 A409 V410 T430 R438	G155-Y434 VanDerWaalsContact O-CE1 3.29Å; G155-Y434 WeakPolarHBondContact O-CE1 3.35Å; P157-Y434 HydrophobicContact CB-CE1 4.19Å; P157-Y434 HydrophobicContact CG-CD1 3.6Å; P157-Y434 HydrophobicContact CG-CE1 3.45Å; P157-Y434 VanDerWaalsContact CG-CE1 3.45Å; P157-Y434 HydrophobicContact CG-CG 4.41Å; A409-Y434 HydrophobicContact CB-CE2 3.94Å; A409-Y434 WeakPolarHBondContact O-CD2 3.29Å; V410-Y434 HydrophobicContact CB-CE2 4.47Å; V410-Y434 HydrophobicContact CG1-CD2 4.08Å; V410-Y434 HydrophobicContact CG1-CE2 3.44Å; V410-Y434 VanDerWaalsContact CG1-CE2 3.44Å; T430-Y434 WeakPolarHBondContact O-CA 3.28Å; T430-Y434 WeakPolarHBondContact O-CB 3.32Å; T430-Y434 PolarHBondContact O-N 3.49Å; T430-Y434 VanDerWaalsContact O-N 3.12Å; Y434-R438 VanDerWaalsContact O-CA 3.24Å; Y434-R438 WeakPolarHBondContact O-CA 3.22Å; Y434-R438 PolarHBondContact O-N 3.4Å
435	V	86.6	Confident	90.8	Very high	26 Å²	26	63.8 Å²	63.8	16%	0.158	34%	0.342	C	S	.	.	I	π-helix	trans	-73.3	-35.9	-177.2	-178.6	0	0	0	0	111.7	V153 L156 T430 G431 R438	V153-V435 HydrophobicContact CG2-CG1 3.87Å; L156-V435 HydrophobicContact CB-CG2 4.49Å; L156-V435 HydrophobicContact CG-CG2 4.47Å; T430-V435 PolarHBondContact O-N 3.31Å; G431-V435 WeakPolarHBondContact O-CB 3.17Å; G431-V435 PolarHBondContact O-N 2.83Å; V435-R438 PolarHBondContact O-NH1 3.35Å; V435-R438 PolarHBondContact O-NH2 2.72Å
436	L	88.3	Confident	90.6	Very high	140 Å²	140	70.9 Å²	70.9	73%	0.733	37%	0.37	S	S	*	.	I	π-helix	trans	-90.8	-59.2	170.2	-53.8	175.5	0	0	0	111.6	G431 M432 R438	G431-L436 PolarHBondContact O-N 3.07Å; G431-L436 VanDerWaalsContact O-N 3.17Å; M432-L436 WeakPolarHBondContact O-CB 3.39Å; L436-R438 PolarHBondContact O-N 2.81Å
437	G	88.1	Confident	90.1	Very high	33 Å²	33	72.6 Å²	72.6	34%	0.34	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.8	-172.5	0	0	0	0	0	117.5	M432 F433 G439 L440	M432-G437 PolarHBondContact O-N 3.03Å; F433-G437 CarbonylContact O-C 3.47Å; F433-G437 WeakPolarHBondContact O-CA 3.13Å; F433-G437 PolarHBondContact O-N 3.5Å; G437-G439 PolarHBondContact O-N 3.41Å; G437-G439 VanDerWaalsContact O-N 3.1Å; G437-L440 WeakPolarHBondContact O-CB 2.97Å; G437-L440 WeakPolarHBondContact O-CG 3.38Å; G437-L440 PolarHBondContact O-N 3.11Å; G437-L440 VanDerWaalsContact O-N 3.15Å
438	R	90	Very high	89.4	Confident	112 Å²	112	79 Å²	79	42%	0.423	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	24.1	178.2	-53.5	-58.2	176.6	-161.1	0.1	116.1	P154 G155 F433 Y434 V435 L436 L440	P154-R438 PolarHBondContact O-NH2 3.26Å; G155-R438 PolarHBondContact O-NH1 3.49Å; F433-R438 PolarHBondContact O-N 2.99Å; Y434-R438 VanDerWaalsContact O-CA 3.24Å; Y434-R438 WeakPolarHBondContact O-CA 3.22Å; Y434-R438 PolarHBondContact O-N 3.4Å; V435-R438 PolarHBondContact O-NH1 3.35Å; V435-R438 PolarHBondContact O-NH2 2.72Å; L436-R438 PolarHBondContact O-N 2.81Å; R438-L440 VanDerWaalsContact C-N 3.29Å; R438-L440 HydrophobicContact CB-CD1 4.44Å; R438-L440 HydrophobicContact CB-CG 4.35Å; R438-L440 PolarHBondContact O-N 3.29Å
439	G	88.5	Confident	89.4	Confident	4 Å²	4	77.7 Å²	77.7	4%	0.041	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	14.9	179.5	0	0	0	0	0	114.3	A409 R411 F433 G437 E441	A409-G439 WeakPolarHBondContact O-CA 3.4Å; R411-G439 PolarHBondContact NH1-O 2.71Å; F433-G439 PolarHBondContact O-N 3.14Å; G437-G439 PolarHBondContact O-N 3.41Å; G437-G439 VanDerWaalsContact O-N 3.1Å; G439-E441 VanDerWaalsContact C-N 3.27Å; G439-E441 WeakPolarHBondContact CA-OE2 3.29Å; G439-E441 PolarHBondContact O-N 2.69Å
440	L	90.7	Very high	89.3	Confident	145 Å²	145	78.1 Å²	78.1	76%	0.759	40%	0.399	S	S	*	.			trans	-83.3	5	-175.1	-61.6	175.6	0	0	0	113.8	G437 R438	G437-L440 WeakPolarHBondContact O-CB 2.97Å; G437-L440 WeakPolarHBondContact O-CG 3.38Å; G437-L440 PolarHBondContact O-N 3.11Å; G437-L440 VanDerWaalsContact O-N 3.15Å; R438-L440 VanDerWaalsContact C-N 3.29Å; R438-L440 HydrophobicContact CB-CD1 4.44Å; R438-L440 HydrophobicContact CB-CG 4.35Å; R438-L440 PolarHBondContact O-N 3.29Å
441	E	92.5	Very high	89.5	Confident	18 Å²	18	77.3 Å²	77.3	8%	0.084	39%	0.394	C	S	.	.			trans	-55.8	144.7	177.4	59.1	-98.7	-139.3	0	0	112.4	R411 N412 Y429 F433 G439 W443	R411-E441 PolarHBondContact NH2-O 3.09Å; N412-E441 WeakPolarHBondContact CB-OE1 3.36Å; N412-E441 VanDerWaalsContact ND2-CG 3.31Å; N412-E441 WeakPolarHBondContact ND2-CG 3.44Å; N412-E441 PolarHBondContact ND2-OE1 3.49Å; Y429-E441 WeakPolarHBondContact CE1-OE1 3.22Å; Y429-E441 PolarHBondContact OH-OE1 3.16Å; F433-E441 HydrophobicContact CD1-CB 4.5Å; G439-E441 VanDerWaalsContact C-N 3.27Å; G439-E441 WeakPolarHBondContact CA-OE2 3.29Å; G439-E441 PolarHBondContact O-N 2.69Å; E441-W443 HydrophobicContact CB-CD2 3.92Å; E441-W443 HydrophobicContact CB-CE3 4.21Å; E441-W443 HydrophobicContact CB-CH2 3.92Å; E441-W443 HydrophobicContact CB-CZ2 3.6Å; E441-W443 HydrophobicContact CB-CZ3 4.22Å; E441-W443 HydrophobicContact CG-CD2 4.18Å; E441-W443 HydrophobicContact CG-CG 4.35Å; E441-W443 HydrophobicContact CG-CZ2 4.13Å; E441-W443 PolarHBondContact O-N 2.68Å; E441-W443 VanDerWaalsContact O-N 3.16Å
442	P	93.8	Very high	89.8	Confident	126 Å²	126	76.4 Å²	76.4	82%	0.818	38%	0.382	S	S	*	.	S	Bend	trans	-78.2	9.4	-176.7	30	-35.2	0	0	0	114.9
443	W	94.4	Very high	90	Very high	112 Å²	112	76.7 Å²	76.7	42%	0.424	38%	0.38	S	S	.	.			trans	-124	163.2	-178.3	59.5	78.6	0	0	0	113.3	R411 N412 Y429 F433 E441	R411-W443 PolarHBondContact NE-O 3.07Å; R411-W443 PolarHBondContact NH2-O 3.43Å; N412-W443 PolarHBondContact ND2-O 2.78Å; Y429-W443 PolarHBondContact OH-NE1 3.03Å; F433-W443 HydrophobicContact CD1-CH2 4.48Å; F433-W443 HydrophobicContact CD1-CZ2 4.03Å; F433-W443 AromaticContact CE1-CH2 3.76Å; F433-W443 HydrophobicContact CE1-CH2 3.76Å; F433-W443 AromaticContact CE1-CZ2 3.52Å; F433-W443 HydrophobicContact CE1-CZ2 3.52Å; F433-W443 HydrophobicContact CZ-CH2 4.24Å; F433-W443 AromaticContact CZ-CZ2 3.81Å; F433-W443 HydrophobicContact CZ-CZ2 3.81Å; E441-W443 HydrophobicContact CB-CD2 3.92Å; E441-W443 HydrophobicContact CB-CE3 4.21Å; E441-W443 HydrophobicContact CB-CH2 3.92Å; E441-W443 HydrophobicContact CB-CZ2 3.6Å; E441-W443 HydrophobicContact CB-CZ3 4.22Å; E441-W443 HydrophobicContact CG-CD2 4.18Å; E441-W443 HydrophobicContact CG-CG 4.35Å; E441-W443 HydrophobicContact CG-CZ2 4.13Å; E441-W443 PolarHBondContact O-N 2.68Å; E441-W443 VanDerWaalsContact O-N 3.16Å
444	T	93	Very high	90.1	Very high	89 Å²	89	75.7 Å²	75.7	55%	0.546	38%	0.381	S	S	.	.			trans	-128.3	124.2	170.6	-58	0	0	0	0	109.3	R411 N412	R411-T444 WeakPolarHBondContact CD-OG1 3.44Å; R411-T444 HydrophobicContact CG-CG2 4.29Å; R411-T444 PolarHBondContact NE-OG1 2.96Å; N412-T444 WeakPolarHBondContact OD1-CA 3.24Å
445	L	92.4	Very high	90.4	Very high	60 Å²	60	74.2 Å²	74.2	31%	0.314	38%	0.377	S	S	.	.			trans	-70.4	126.1	174.1	-62	-179.8	0	0	0	109.3	N412 P415 Y429	N412-L445 HydrophobicContact CB-CD1 4.06Å; N412-L445 HydrophobicContact CB-CG 4.2Å; N412-L445 PolarHBondContact OD1-N 3.46Å; P415-L445 HydrophobicContact CB-CB 3.59Å; P415-L445 HydrophobicContact CB-CD1 4.07Å; P415-L445 HydrophobicContact CB-CG 4.49Å; P415-L445 HydrophobicContact CG-CB 4.33Å; Y429-L445 HydrophobicContact CE2-CD1 4.08Å
446	K	86.9	Confident	90.9	Very high	160 Å²	160	77 Å²	77	70%	0.696	39%	0.387	S	S	*	.			trans	-94.1	153.4	-179.5	-65.9	-155.2	173.5	-153.6	0	112.6	D259	D259-K446 VanDerWaalsContact OD2-CA 3.24Å; D259-K446 WeakPolarHBondContact OD2-CA 3.47Å; D259-K446 WeakPolarHBondContact OD2-CB 3.5Å
447	R	80.4	Confident	91.3	Very high	36 Å²	36	72.1 Å²	72.1	14%	0.136	36%	0.363	C	S	.	.			trans	-125.2	112.5	165.3	177.1	158	167.7	-134.9	-24.4	109.9	D259 P260 T262 D321 E449 P450 D451	D259-R447 PolarHBondContact OD2-N 2.76Å; P260-R447 WeakPolarHBondContact CD-O 3.25Å; T262-R447 HydrophobicContact CG2-CG 4.47Å; T262-R447 VanDerWaalsContact CG2-NH1 3.26Å; D321-R447 IonicContact OD2-CZ 3.49Å; D321-R447 IonicContact OD2-NH1 3.52Å; D321-R447 PolarHBondContact OD2-NH1 3.18Å; R447-E449 VanDerWaalsContact CZ-O 3.27Å; R447-E449 PolarHBondContact NE-O 3.13Å; R447-E449 PolarHBondContact NH2-O 2.89Å; R447-P450 PolarHBondContact NH2-O 2.89Å; R447-D451 IonicContact CZ-OD1 2.72Å; R447-D451 IonicContact NH1-OD1 3.5Å; R447-D451 PolarHBondContact NH1-OD1 3.4Å; R447-D451 VanDerWaalsContact NH2-N 3.18Å; R447-D451 IonicContact NH2-OD1 2.69Å; R447-D451 PolarHBondContact NH2-OD1 2.95Å
448	K	74.5	Confident	91.8	Very high	187 Å²	187	71.3 Å²	71.3	81%	0.813	35%	0.352	S	S	*	.			trans	-78.2	-24.2	-173.5	-63.8	-174.7	179.1	-177.7	0	114.8
449	E	89.9	Confident	92.1	Very high	95 Å²	95	75 Å²	75	44%	0.444	37%	0.372	S	S	.	.	S	Bend	trans	-123.7	139.3	-168.8	-60.9	-145.2	114.7	0	0	113.5	R447 K453	R447-E449 VanDerWaalsContact CZ-O 3.27Å; R447-E449 PolarHBondContact NE-O 3.13Å; R447-E449 PolarHBondContact NH2-O 2.89Å; E449-K453 HydrophobicContact CB-CB 4.43Å; E449-K453 HydrophobicContact CB-CD 4.27Å; E449-K453 HydrophobicContact CG-CD 4.33Å; E449-K453 WeakPolarHBondContact OE1-CD 3.12Å; E449-K453 WeakPolarHBondContact OE1-CE 3.48Å; E449-K453 IonicContact OE1-NZ 3.88Å; E449-K453 PolarHBondContact OE1-NZ 3.2Å
450	P	93.1	Very high	92.5	Very high	41 Å²	41	80.4 Å²	80.4	27%	0.266	40%	0.395	S	S	.	.			trans	-68.2	168.8	176.3	30.5	-37.3	0	0	0	113.4	P260 R447 N452 K453	P260-P450 HydrophobicContact CB-CB 4.22Å; R447-P450 PolarHBondContact NH2-O 2.89Å; P450-N452 WeakPolarHBondContact CB-OD1 3.43Å; P450-N452 VanDerWaalsContact CG-OD1 3.22Å; P450-N452 WeakPolarHBondContact CG-OD1 3.27Å; P450-N452 PolarHBondContact O-N 3.26Å; P450-K453 HydrophobicContact CG-CD 4.5Å; P450-K453 HydrophobicContact CG-CG 4.33Å; P450-K453 PolarHBondContact O-N 3.39Å
451	D	94.5	Very high	92.8	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.011	37%	0.365	C	S	.	.	S	Bend	trans	-64.6	-35.9	-170.4	-74.6	-13.4	0	0	0	114.5	Y263 L320 R414 R447 K453 A454 I553 K554	Y263-D451 WeakPolarHBondContact CA-OD2 3.19Å; Y263-D451 WeakPolarHBondContact CB-OD2 3.22Å; Y263-D451 WeakPolarHBondContact CD2-OD2 3.38Å; Y263-D451 PolarHBondContact N-OD2 3.46Å; L320-D451 HydrophobicContact CB-CB 3.81Å; L320-D451 WeakPolarHBondContact O-CB 3.3Å; L320-D451 VanDerWaalsContact O-O 3.11Å; R414-D451 IonicContact NH2-OD1 3.64Å; R447-D451 IonicContact CZ-OD1 2.72Å; R447-D451 IonicContact NH1-OD1 3.5Å; R447-D451 PolarHBondContact NH1-OD1 3.4Å; R447-D451 VanDerWaalsContact NH2-N 3.18Å; R447-D451 IonicContact NH2-OD1 2.69Å; R447-D451 PolarHBondContact NH2-OD1 2.95Å; D451-K453 VanDerWaalsContact C-N 3.32Å; D451-K453 PolarHBondContact O-N 3.09Å; D451-A454 PolarHBondContact O-N 3.07Å; D451-I553 HydrophobicContact CB-CG2 4.06Å; D451-K554 PolarHBondContact O-NZ 3.43Å
452	N	95.6	Very high	92.8	Very high	12 Å²	12	83.8 Å²	83.8	6%	0.064	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-58.4	-41.4	178.1	63.9	-61.8	0	0	0	112.7	P450 A454 T455 D555 P556 Q558	P450-N452 WeakPolarHBondContact CB-OD1 3.43Å; P450-N452 VanDerWaalsContact CG-OD1 3.22Å; P450-N452 WeakPolarHBondContact CG-OD1 3.27Å; P450-N452 PolarHBondContact O-N 3.26Å; N452-A454 PolarHBondContact O-N 3.2Å; N452-T455 WeakPolarHBondContact O-CB 3.21Å; N452-T455 PolarHBondContact O-N 3.08Å; N452-T455 PolarHBondContact O-OG1 3Å; N452-D555 WeakPolarHBondContact CB-O 3.46Å; N452-P556 PolarHBondContact ND2-O 3.43Å; N452-Q558 HydrophobicContact CB-CG 4.45Å
453	K	95.6	Very high	92.9	Very high	120 Å²	120	84 Å²	84	52%	0.522	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19.5	-176.6	-78	-163.6	169.6	-172.2	0	114.7	E449 P450 D451 T455	E449-K453 HydrophobicContact CB-CB 4.43Å; E449-K453 HydrophobicContact CB-CD 4.27Å; E449-K453 HydrophobicContact CG-CD 4.33Å; E449-K453 WeakPolarHBondContact OE1-CD 3.12Å; E449-K453 WeakPolarHBondContact OE1-CE 3.48Å; E449-K453 IonicContact OE1-NZ 3.88Å; E449-K453 PolarHBondContact OE1-NZ 3.2Å; P450-K453 HydrophobicContact CG-CD 4.5Å; P450-K453 HydrophobicContact CG-CG 4.33Å; P450-K453 PolarHBondContact O-N 3.39Å; D451-K453 VanDerWaalsContact C-N 3.32Å; D451-K453 PolarHBondContact O-N 3.09Å; K453-T455 PolarHBondContact O-N 3.14Å
454	A	94.4	Very high	92.9	Very high	31 Å²	31	81 Å²	81	26%	0.256	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-69.7	-17.1	177.1	0	0	0	0	0	113.1	D321 K323 D451 N452 K456	D321-A454 HydrophobicContact CB-CB 4.26Å; D321-A454 VanDerWaalsContact O-CB 3.24Å; D321-A454 WeakPolarHBondContact O-CB 3.22Å; K323-A454 VanDerWaalsContact CA-O 3.32Å; K323-A454 WeakPolarHBondContact CA-O 3.12Å; D451-A454 PolarHBondContact O-N 3.07Å; N452-A454 PolarHBondContact O-N 3.2Å; A454-K456 PolarHBondContact O-N 2.82Å
455	T	95.8	Very high	93	Very high	10 Å²	10	84 Å²	84	6%	0.061	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-69.1	119.4	-175.6	-41.4	0	0	0	0	111.1	N452 K453 Y512 K554 P556	N452-T455 WeakPolarHBondContact O-CB 3.21Å; N452-T455 PolarHBondContact O-N 3.08Å; N452-T455 PolarHBondContact O-OG1 3Å; K453-T455 PolarHBondContact O-N 3.14Å; T455-Y512 HydrophobicContact CG2-CD1 4.08Å; T455-Y512 HydrophobicContact CG2-CE1 4.41Å; T455-Y512 WeakPolarHBondContact O-CE1 3.37Å; T455-K554 WeakPolarHBondContact OG1-CE 3.01Å; T455-K554 PolarHBondContact OG1-NZ 3.04Å; T455-P556 HydrophobicContact CG2-CG 4.08Å
456	K	96.6	Very high	93.1	Very high	84 Å²	84	82.6 Å²	82.6	37%	0.365	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-84.2	151.3	177.1	-83.9	174.9	167.9	-91.2	0	112	K323 A454 E460 C461 Y512	K323-K456 HydrophobicContact CB-CD 4.32Å; K323-K456 PolarHBondContact O-N 3.44Å; A454-K456 PolarHBondContact O-N 2.82Å; K456-E460 HydrophobicContact CB-CB 4.38Å; K456-E460 HydrophobicContact CD-CB 4.42Å; K456-E460 IonicContact NZ-OE2 3.36Å; K456-E460 PolarHBondContact NZ-OE2 3Å; K456-C461 VanDerWaalsContact CB-SG 3.58Å; K456-Y512 WeakPolarHBondContact O-CD1 3.11Å
457	P	97.9	Very high	93.4	Very high	37 Å²	37	78 Å²	78	24%	0.24	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-53.2	148.6	168.6	-25.7	34.9	0	0	0	112.9	K459 E460 C461 V511	P457-K459 PolarHBondContact O-N 3.2Å; P457-K459 VanDerWaalsContact O-N 3.14Å; P457-E460 WeakPolarHBondContact CD-OE1 3.45Å; P457-E460 PolarHBondContact O-N 2.87Å; P457-C461 PolarHBondContact O-SG 3.44Å; P457-V511 CarbonylContact C-O 3.52Å; P457-V511 VanDerWaalsContact CA-O 3.31Å; P457-V511 WeakPolarHBondContact CA-O 3.46Å; P457-V511 HydrophobicContact CB-CG1 4.11Å; P457-V511 HydrophobicContact CG-CG1 4.28Å
458	S	97.4	Very high	94	Very high	16 Å²	16	85.4 Å²	85.4	11%	0.112	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-57.3	-30.4	-177.8	63.5	0	0	0	0	113.9	Y326 E460 C461 V511	Y326-S458 WeakPolarHBondContact OH-CB 2.99Å; Y326-S458 PolarHBondContact OH-O 3.02Å; S458-E460 VanDerWaalsContact C-N 3.34Å; S458-C461 PolarHBondContact O-N 2.9Å; S458-V511 PolarHBondContact N-O 3.06Å; S458-V511 PolarHBondContact OG-O 3.17Å
459	K	97.1	Very high	94.9	Very high	191 Å²	191	78.9 Å²	78.9	83%	0.83	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-72.7	-21.9	178.4	-59.8	178.4	-175.5	175.2	0	113.7	P457	P457-K459 PolarHBondContact O-N 3.2Å; P457-K459 VanDerWaalsContact O-N 3.14Å
460	E	97	Very high	95.1	Very high	116 Å²	116	77.9 Å²	77.9	54%	0.542	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-91.2	-4.5	173.3	-66	-178.9	-128.4	0	0	112.7	K456 P457 S458	K456-E460 HydrophobicContact CB-CB 4.38Å; K456-E460 HydrophobicContact CD-CB 4.42Å; K456-E460 IonicContact NZ-OE2 3.36Å; K456-E460 PolarHBondContact NZ-OE2 3Å; P457-E460 WeakPolarHBondContact CD-OE1 3.45Å; P457-E460 PolarHBondContact O-N 2.87Å; S458-E460 VanDerWaalsContact C-N 3.34Å
461	C	96.2	Very high	94.9	Very high	17 Å²	17	81 Å²	81	12%	0.115	39%	0.392	C	S	.	.	S	Bend	trans	-109.5	131.1	-166.4	-71.8	0	0	0	0	111.4	N324 T325 Y326 K456 P457 S458 K463	N324-C461 WeakPolarHBondContact OD1-CB 3.42Å; T325-C461 HydrophobicContact CG2-CB 4.09Å; Y326-C461 HydrophobicContact CD2-CB 3.66Å; Y326-C461 HydrophobicContact CE2-CB 3.58Å; Y326-C461 WeakPolarHBondContact CE2-O 3.5Å; K456-C461 VanDerWaalsContact CB-SG 3.58Å; P457-C461 PolarHBondContact O-SG 3.44Å; S458-C461 PolarHBondContact O-N 2.9Å; C461-K463 PolarHBondContact O-N 2.93Å
462	R	93.4	Very high	94.4	Very high	218 Å²	218	85.7 Å²	85.7	82%	0.823	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-73.6	121.4	171.2	178.3	176.7	175	172.8	2.1	109.3	N324 I464	N324-R462 PolarHBondContact ND2-O 2.59Å; R462-I464 PolarHBondContact O-N 3.1Å
463	K	95.6	Very high	93.7	Very high	131 Å²	131	89 Å²	89	57%	0.57	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-56.3	132.4	169.2	-69.5	-162.8	173.8	-153	0	109.9	Y326 C461 D513	Y326-K463 HydrophobicContact CD1-CG 4.01Å; Y326-K463 HydrophobicContact CD2-CB 4.4Å; Y326-K463 HydrophobicContact CD2-CG 3.93Å; Y326-K463 HydrophobicContact CE1-CD 4.07Å; Y326-K463 VanDerWaalsContact CE1-CE 3.47Å; Y326-K463 HydrophobicContact CE1-CG 3.74Å; Y326-K463 HydrophobicContact CE2-CG 3.64Å; Y326-K463 HydrophobicContact CG-CB 4.47Å; Y326-K463 HydrophobicContact CG-CG 4.11Å; Y326-K463 WeakPolarHBondContact OH-CE 3.26Å; C461-K463 PolarHBondContact O-N 2.93Å; K463-D513 IonicContact NZ-OD2 3.9Å; K463-D513 PolarHBondContact NZ-OD2 3.26Å
464	I	94.5	Very high	93.3	Very high	47 Å²	47	83.5 Å²	83.5	24%	0.241	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-97.8	125.3	177.4	-55.9	174.2	0	0	0	107.3	I327 R462 Y466	I327-I464 HydrophobicContact CB-CD1 4.5Å; I327-I464 HydrophobicContact CG1-CD1 3.6Å; R462-I464 PolarHBondContact O-N 3.1Å; I464-Y466 HydrophobicContact CB-CD2 4.39Å; I464-Y466 HydrophobicContact CB-CE2 3.8Å; I464-Y466 HydrophobicContact CG2-CD1 4.1Å; I464-Y466 HydrophobicContact CG2-CD2 4.12Å; I464-Y466 HydrophobicContact CG2-CE1 3.64Å; I464-Y466 HydrophobicContact CG2-CE2 3.69Å; I464-Y466 HydrophobicContact CG2-CG 4.32Å; I464-Y466 VanDerWaalsContact CG2-CZ 3.44Å
465	D	94.2	Very high	93.2	Very high	153 Å²	153	84.5 Å²	84.5	82%	0.818	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-89.5	124	171.7	-172.9	29.3	0	0	0	108.5
466	Y	94.8	Very high	93.2	Very high	31 Å²	31	87 Å²	87	12%	0.122	43%	0.425	C	S	.	.			trans	-110.8	134.3	-174.9	-73.1	-69.5	0	0	0	109.5	K328 E331 E332 I464	K328-Y466 HydrophobicContact CB-CE2 3.96Å; K328-Y466 HydrophobicContact CD-CD2 4.2Å; K328-Y466 HydrophobicContact CD-CE2 4.19Å; K328-Y466 HydrophobicContact CG-CE2 4.19Å; K328-Y466 PolarHBondContact N-OH 2.94Å; K328-Y466 VanDerWaalsContact N-OH 3.15Å; E331-Y466 HydrophobicContact CB-CD1 3.27Å; E331-Y466 HydrophobicContact CB-CD2 3.9Å; E331-Y466 HydrophobicContact CB-CE1 3.57Å; E331-Y466 HydrophobicContact CB-CE2 4.13Å; E331-Y466 HydrophobicContact CB-CG 3.45Å; E331-Y466 VanDerWaalsContact CB-CG 3.45Å; E331-Y466 HydrophobicContact CG-CD1 4.15Å; E331-Y466 HydrophobicContact CG-CD2 3.88Å; E331-Y466 HydrophobicContact CG-CE2 4.23Å; E331-Y466 HydrophobicContact CG-CG 3.82Å; E332-Y466 HydrophobicContact CG-CE1 4.16Å; E332-Y466 VanDerWaalsContact OE1-CE1 3.3Å; E332-Y466 WeakPolarHBondContact OE1-CE1 3.47Å; E332-Y466 PolarHBondContact OE1-OH 3.46Å; I464-Y466 HydrophobicContact CB-CD2 4.39Å; I464-Y466 HydrophobicContact CB-CE2 3.8Å; I464-Y466 HydrophobicContact CG2-CD1 4.1Å; I464-Y466 HydrophobicContact CG2-CD2 4.12Å; I464-Y466 HydrophobicContact CG2-CE1 3.64Å; I464-Y466 HydrophobicContact CG2-CE2 3.69Å; I464-Y466 HydrophobicContact CG2-CG 4.32Å; I464-Y466 VanDerWaalsContact CG2-CZ 3.44Å
467	P	92.5	Very high	93.1	Very high	62 Å²	62	85.1 Å²	85.1	40%	0.403	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63	143.8	178.2	28.6	-34.1	0	0	0	110.1	L338	L338-P467 HydrophobicContact CD1-CB 4.25Å; L338-P467 HydrophobicContact CD1-CG 3.78Å
468	K	94.6	Very high	92.8	Very high	192 Å²	192	88.6 Å²	88.6	84%	0.835	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-64.8	145.6	170.3	-64.3	-175.2	179.9	-176.4	0	109.7
469	P	93.1	Very high	92.6	Very high	50 Å²	50	90 Å²	90	33%	0.325	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62	144.8	174.9	25.7	-33.9	0	0	0	111.6	T474 D476	P469-T474 WeakPolarHBondContact CA-OG1 3.43Å; P469-T474 VanDerWaalsContact CB-O 3.26Å; P469-T474 WeakPolarHBondContact CB-O 3.45Å; P469-D476 HydrophobicContact CG-CB 4.24Å
470	D	92.4	Very high	92.4	Very high	75 Å²	75	81.7 Å²	81.7	40%	0.401	41%	0.411	S	S	.	.			trans	-93.1	-9.2	176.2	67.9	-8.3	0	0	0	113.3	V472 L473 T474	D470-V472 PolarHBondContact O-N 3.27Å; D470-V472 PolarHBondContact OD1-N 3.48Å; D470-L473 PolarHBondContact OD1-N 2.82Å; D470-L473 PolarHBondContact OD2-N 2.89Å; D470-T474 VanDerWaalsContact CG-OG1 3.28Å; D470-T474 PolarHBondContact N-O 2.84Å; D470-T474 PolarHBondContact N-OG1 2.69Å; D470-T474 PolarHBondContact OD1-N 3.01Å; D470-T474 PolarHBondContact OD1-OG1 3.5Å
471	N	89.6	Confident	92.3	Very high	106 Å²	106	76.7 Å²	76.7	57%	0.567	39%	0.388	S	S	*	.	S	Bend	trans	58.1	25.5	-173.2	-58.3	-32.6	0	0	0	114.2	T474	N471-T474 VanDerWaalsContact CA-O 3.3Å; N471-T474 WeakPolarHBondContact CA-O 3.47Å; N471-T474 PolarHBondContact N-O 3.01Å
472	V	85.1	Confident	92.1	Very high	100 Å²	100	83.3 Å²	83.3	61%	0.606	42%	0.417	S	S	*	.	S	Bend	trans	-130.3	-51.6	177.1	179.9	0	0	0	0	111.3	W271 D470	W271-V472 WeakPolarHBondContact CH2-O 3.32Å; D470-V472 PolarHBondContact O-N 3.27Å; D470-V472 PolarHBondContact OD1-N 3.48Å
473	L	79.2	Confident	92.1	Very high	82 Å²	82	79 Å²	79	43%	0.429	41%	0.409	S	S	.	.	S	Bend	trans	-105.1	-24.4	171.6	-64.5	178.3	0	0	0	111.7	K337 L338 D470	K337-L473 WeakPolarHBondContact CD-O 3.46Å; K337-L473 WeakPolarHBondContact CE-O 3.48Å; K337-L473 PolarHBondContact NZ-O 3.36Å; L338-L473 HydrophobicContact CD2-CB 4.5Å; D470-L473 PolarHBondContact OD1-N 2.82Å; D470-L473 PolarHBondContact OD2-N 2.89Å
474	T	87.4	Confident	92.1	Very high	4 Å²	4	73.7 Å²	73.7	3%	0.025	39%	0.388	C	S	.	.			trans	-135.1	136	-170	53.4	0	0	0	0	111.4	Q334 K337 L338 P469 D470 N471	Q334-T474 HydrophobicContact CB-CG2 4.01Å; Q334-T474 WeakPolarHBondContact O-CG2 3.16Å; Q334-T474 VanDerWaalsContact OE1-CA 3.27Å; K337-T474 HydrophobicContact CB-CG2 4.42Å; L338-T474 HydrophobicContact CD1-CG2 4.29Å; L338-T474 HydrophobicContact CD2-CG2 3.73Å; L338-T474 HydrophobicContact CG-CG2 3.86Å; P469-T474 WeakPolarHBondContact CA-OG1 3.43Å; P469-T474 VanDerWaalsContact CB-O 3.26Å; P469-T474 WeakPolarHBondContact CB-O 3.45Å; D470-T474 VanDerWaalsContact CG-OG1 3.28Å; D470-T474 PolarHBondContact N-O 2.84Å; D470-T474 PolarHBondContact N-OG1 2.69Å; D470-T474 PolarHBondContact OD1-N 3.01Å; D470-T474 PolarHBondContact OD1-OG1 3.5Å; N471-T474 VanDerWaalsContact CA-O 3.3Å; N471-T474 WeakPolarHBondContact CA-O 3.47Å; N471-T474 PolarHBondContact N-O 3.01Å
475	F	92.9	Very high	92.1	Very high	53 Å²	53	73.4 Å²	73.4	23%	0.232	40%	0.397	C	S	.	.			trans	-127	161.4	-171.8	-53.4	-65.7	0	0	0	111.4	W271 F330	W271-F475 AromaticContact CH2-CE2 3.69Å; W271-F475 HydrophobicContact CH2-CE2 3.69Å; W271-F475 AromaticContact CH2-CZ 3.87Å; W271-F475 HydrophobicContact CH2-CZ 3.87Å; W271-F475 HydrophobicContact CZ2-CD2 4.49Å; W271-F475 AromaticContact CZ2-CE2 3.52Å; W271-F475 HydrophobicContact CZ2-CE2 3.52Å; W271-F475 HydrophobicContact CZ2-CZ 4.18Å; F330-F475 WeakPolarHBondContact CE1-O 3.43Å; F330-F475 WeakPolarHBondContact CZ-O 3.43Å
476	D	94.9	Very high	92.3	Very high	61 Å²	61	67 Å²	67	33%	0.326	36%	0.363	S	S	.	.			trans	-76.4	169.2	172.3	76.3	93.4	0	0	0	112.2	F330 P469 L478 S479 S480	F330-D476 WeakPolarHBondContact CZ-O 3.39Å; P469-D476 HydrophobicContact CG-CB 4.24Å; D476-L478 WeakPolarHBondContact OD1-CA 3.5Å; D476-L478 WeakPolarHBondContact OD1-CB 3.47Å; D476-L478 PolarHBondContact OD1-N 3Å; D476-S479 VanDerWaalsContact CG-OG 3.25Å; D476-S479 PolarHBondContact O-OG 2.84Å; D476-S479 PolarHBondContact OD1-N 2.99Å; D476-S479 VanDerWaalsContact OD2-CB 3.24Å; D476-S479 WeakPolarHBondContact OD2-CB 3.38Å; D476-S479 PolarHBondContact OD2-OG 2.86Å; D476-S480 VanDerWaalsContact O-CB 3.27Å; D476-S480 WeakPolarHBondContact O-CB 3.4Å; D476-S480 PolarHBondContact O-N 3.01Å; D476-S480 PolarHBondContact O-OG 3.02Å
477	L	94.5	Very high	92.3	Very high	46 Å²	46	70.1 Å²	70.1	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-68.9	-33.3	-176.5	-173.3	56.4	0	0	0	113.4	F330 V481 P521	F330-L477 HydrophobicContact CB-CD1 4.15Å; F330-L477 HydrophobicContact CD1-CB 4.3Å; F330-L477 HydrophobicContact CD1-CD1 3.97Å; F330-L477 HydrophobicContact CD2-CD1 3.78Å; F330-L477 HydrophobicContact CE1-CB 4.16Å; F330-L477 HydrophobicContact CE1-CD1 4.36Å; F330-L477 HydrophobicContact CE2-CD1 4.19Å; F330-L477 HydrophobicContact CG-CD1 3.66Å; F330-L477 HydrophobicContact CZ-CD1 4.46Å; L477-V481 VanDerWaalsContact O-CG2 3.26Å; L477-V481 WeakPolarHBondContact O-CG2 3.34Å; L477-V481 PolarHBondContact O-N 2.89Å; L477-P521 WeakPolarHBondContact CD1-O 3.16Å
478	L	92.6	Very high	92.5	Very high	109 Å²	109	67.7 Å²	67.7	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-81.8	-39.8	-174.5	-61.8	178.2	0	0	0	111.8	D476 S480 V481 H482	D476-L478 WeakPolarHBondContact OD1-CA 3.5Å; D476-L478 WeakPolarHBondContact OD1-CB 3.47Å; D476-L478 PolarHBondContact OD1-N 3Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 3.14Å; L478-V481 PolarHBondContact O-N 3.44Å; L478-H482 PolarHBondContact O-N 2.84Å
479	S	92.7	Very high	92.5	Very high	45 Å²	45	63.2 Å²	63.2	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-39.2	168.4	59.1	0	0	0	0	111.4	D476 V481 H482 I483	D476-S479 VanDerWaalsContact CG-OG 3.25Å; D476-S479 PolarHBondContact O-OG 2.84Å; D476-S479 PolarHBondContact OD1-N 2.99Å; D476-S479 VanDerWaalsContact OD2-CB 3.24Å; D476-S479 WeakPolarHBondContact OD2-CB 3.38Å; D476-S479 PolarHBondContact OD2-OG 2.86Å; S479-V481 PolarHBondContact O-N 2.97Å; S479-H482 WeakPolarHBondContact O-CB 3.39Å; S479-H482 PolarHBondContact O-N 2.99Å; S479-I483 PolarHBondContact O-N 3.2Å
480	S	93	Very high	92.6	Very high	17 Å²	17	66.6 Å²	66.6	12%	0.119	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-33.2	174.6	-59.8	0	0	0	0	113.4	F330 D476 L478 I483 T484	F330-S480 VanDerWaalsContact CE2-CB 3.5Å; F330-S480 VanDerWaalsContact CE2-OG 3.3Å; F330-S480 WeakPolarHBondContact CE2-OG 3.32Å; F330-S480 VanDerWaalsContact CZ-OG 3.24Å; F330-S480 WeakPolarHBondContact CZ-OG 3.32Å; D476-S480 VanDerWaalsContact O-CB 3.27Å; D476-S480 WeakPolarHBondContact O-CB 3.4Å; D476-S480 PolarHBondContact O-N 3.01Å; D476-S480 PolarHBondContact O-OG 3.02Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 3.14Å; S480-I483 VanDerWaalsContact O-CG1 3.24Å; S480-I483 WeakPolarHBondContact O-CG1 3.29Å; S480-T484 WeakPolarHBondContact O-CG2 3.43Å
481	V	94.1	Very high	92.8	Very high	12 Å²	12	66.6 Å²	66.6	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-43	170.8	164.6	0	0	0	0	111.1	L477 L478 S479 I483 T484 T486 A522 N544	L477-V481 VanDerWaalsContact O-CG2 3.26Å; L477-V481 WeakPolarHBondContact O-CG2 3.34Å; L477-V481 PolarHBondContact O-N 2.89Å; L478-V481 PolarHBondContact O-N 3.44Å; S479-V481 PolarHBondContact O-N 2.97Å; V481-I483 VanDerWaalsContact C-N 3.32Å; V481-I483 PolarHBondContact O-N 2.84Å; V481-T484 WeakPolarHBondContact O-CB 3.06Å; V481-T484 PolarHBondContact O-N 2.84Å; V481-T484 PolarHBondContact O-OG1 2.93Å; V481-T486 HydrophobicContact CG1-CG2 3.79Å; V481-A522 HydrophobicContact CG2-CB 3.63Å; V481-N544 HydrophobicContact CG1-CB 4.32Å
482	H	93.4	Very high	93.1	Very high	156 Å²	156	62.3 Å²	62.3	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-56.9	-43.9	-179	-178.2	62.2	0	0	0	112.3	L478 S479 T484 G485	L478-H482 PolarHBondContact O-N 2.84Å; S479-H482 WeakPolarHBondContact O-CB 3.39Å; S479-H482 PolarHBondContact O-N 2.99Å; H482-T484 PolarHBondContact O-N 2.93Å; H482-G485 PolarHBondContact O-N 3.09Å
483	I	93.2	Very high	93.6	Very high	126 Å²	126	57.9 Å²	57.9	65%	0.646	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.1	178	64.8	169.4	0	0	0	114.8	S479 S480 V481	S479-I483 PolarHBondContact O-N 3.2Å; S480-I483 VanDerWaalsContact O-CG1 3.24Å; S480-I483 WeakPolarHBondContact O-CG1 3.29Å; V481-I483 VanDerWaalsContact C-N 3.32Å; V481-I483 PolarHBondContact O-N 2.84Å
484	T	95.3	Very high	94.5	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.123	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.7	169.3	70.4	0	0	0	0	113.2	S480 V481 H482 T486 I546 A572 Y573	S480-T484 WeakPolarHBondContact O-CG2 3.43Å; V481-T484 WeakPolarHBondContact O-CB 3.06Å; V481-T484 PolarHBondContact O-N 2.84Å; V481-T484 PolarHBondContact O-OG1 2.93Å; H482-T484 PolarHBondContact O-N 2.93Å; T484-T486 PolarHBondContact O-N 3.16Å; T484-T486 VanDerWaalsContact O-N 3.12Å; T484-T486 WeakPolarHBondContact OG1-CB 3.36Å; T484-T486 VanDerWaalsContact OG1-CG2 3.29Å; T484-T486 WeakPolarHBondContact OG1-CG2 3.3Å; T484-T486 PolarHBondContact OG1-N 2.96Å; T484-I546 HydrophobicContact CG2-CG2 4.11Å; T484-A572 PolarHBondContact O-N 3.22Å; T484-Y573 HydrophobicContact CG2-CE1 4Å
485	G	95.4	Very high	95	Very high	42 Å²	42	54.2 Å²	54.2	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	12.6	-172.8	0	0	0	0	0	114.2	H482 N487	H482-G485 PolarHBondContact O-N 3.09Å; G485-N487 PolarHBondContact O-N 3.01Å
486	T	96.8	Very high	95.2	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.117	28%	0.278	C	S	.	.			trans	-66.3	130.7	-172.9	-166.8	0	0	0	0	112	V481 T484 I546 G570	V481-T486 HydrophobicContact CG1-CG2 3.79Å; T484-T486 PolarHBondContact O-N 3.16Å; T484-T486 VanDerWaalsContact O-N 3.12Å; T484-T486 WeakPolarHBondContact OG1-CB 3.36Å; T484-T486 VanDerWaalsContact OG1-CG2 3.29Å; T484-T486 WeakPolarHBondContact OG1-CG2 3.3Å; T484-T486 PolarHBondContact OG1-N 2.96Å; T486-I546 HydrophobicContact CG2-CG2 3.88Å; T486-G570 WeakPolarHBondContact CA-O 3.16Å; T486-G570 VanDerWaalsContact OG1-C 3.26Å
487	N	94.9	Very high	95.4	Very high	96 Å²	96	48.9 Å²	48.9	51%	0.513	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-151.8	161	173.7	-166.7	27.8	0	0	0	112	G485 G569 G570	G485-N487 PolarHBondContact O-N 3.01Å; N487-G569 WeakPolarHBondContact O-CA 3.46Å; N487-G570 PolarHBondContact N-O 2.76Å; N487-G570 PolarHBondContact O-N 2.97Å
488	H	96.7	Very high	95.5	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.046	25%	0.252	C	S	.	.			trans	-146.1	158.6	176.3	-59.7	80.4	0	0	0	109.4	H490 H495 Q543 C545 H547 G570	H488-H490 PolarHBondContact O-CD2 3.21Å; H488-H490 PolarHBondContact O-N 2.93Å; H488-H495 AromaticContact NE2-CE1 3.55Å; H488-Q543 HydrophobicContact CB-CB 4.39Å; H488-Q543 PolarHBondContact ND1-O 3.2Å; H488-C545 PolarHBondContact CE1-O 3.49Å; H488-H547 AromaticContact NE2-NE2 3.65Å; H488-G570 PolarHBondContact NE2-N 2.6Å
489	E	95.2	Very high	95.7	Very high	99 Å²	99	47.1 Å²	47.1	46%	0.463	25%	0.254	S	S	.	.			trans	-57.9	120.9	164.6	168.9	47.5	-124.9	0	0	109.3	N491 Q492	E489-N491 VanDerWaalsContact C-N 3.35Å; E489-N491 PolarHBondContact O-N 3.1Å; E489-N491 WeakPolarHBondContact OE1-CA 3.44Å; E489-N491 VanDerWaalsContact OE1-CB 3.29Å; E489-N491 WeakPolarHBondContact OE1-CB 3.26Å; E489-N491 PolarHBondContact OE1-N 2.8Å; E489-Q492 WeakPolarHBondContact O-CG 3.42Å; E489-Q492 PolarHBondContact O-NE2 3.32Å
490	H	94.8	Very high	95.8	Very high	121 Å²	121	48.4 Å²	48.4	56%	0.56	26%	0.257	S	S	*	.	S	Bend	trans	-68	-32.4	-173	-79.8	-168.4	0	0	0	113.2	H488 Q492	H488-H490 PolarHBondContact O-CD2 3.21Å; H488-H490 PolarHBondContact O-N 2.93Å; H490-Q492 PolarHBondContact O-N 3.02Å
491	N	96.1	Very high	96	Very high	75 Å²	75	49.4 Å²	49.4	40%	0.401	26%	0.261	S	S	.	.	S	Bend	trans	-95.2	58.4	178.3	-173.1	19.8	0	0	0	110.7	A214 K215 K220 E489	A214-N491 WeakPolarHBondContact CA-O 3.29Å; A214-N491 WeakPolarHBondContact CA-OD1 3.46Å; K215-N491 PolarHBondContact N-OD1 2.69Å; K220-N491 WeakPolarHBondContact CE-O 3.46Å; K220-N491 PolarHBondContact NZ-O 2.98Å; E489-N491 VanDerWaalsContact C-N 3.35Å; E489-N491 PolarHBondContact O-N 3.1Å; E489-N491 WeakPolarHBondContact OE1-CA 3.44Å; E489-N491 VanDerWaalsContact OE1-CB 3.29Å; E489-N491 WeakPolarHBondContact OE1-CB 3.26Å; E489-N491 PolarHBondContact OE1-N 2.8Å
492	Q	96.6	Very high	96	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.075	27%	0.274	C	S	.	.	S	Bend	trans	-129.4	157	167.7	80.9	-175.3	-95	0	0	110.6	I213 K215 E489 H490	I213-Q492 WeakPolarHBondContact O-CA 3.29Å; K215-Q492 WeakPolarHBondContact CG-O 3.35Å; E489-Q492 WeakPolarHBondContact O-CG 3.42Å; E489-Q492 PolarHBondContact O-NE2 3.32Å; H490-Q492 PolarHBondContact O-N 3.02Å
493	P	96.9	Very high	96.1	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	25%	0.246	C	C	.	.			trans	-60.5	141.7	175.8	-18.8	29.8	0	0	0	111.2	H37 I213 A214 H495	H37-P493 HydrophobicContact CB-CB 4.11Å; I213-P493 HydrophobicContact CB-CG 4.22Å; I213-P493 HydrophobicContact CG2-CG 3.56Å; A214-P493 WeakPolarHBondContact O-CD 3.47Å; A214-P493 WeakPolarHBondContact O-CG 3.39Å; P493-H495 PolarHBondContact O-N 2.96Å; P493-H495 VanDerWaalsContact O-N 3.14Å
494	P	97.1	Very high	96.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.039	22%	0.216	C	C	.	.			trans	-59	119.2	177.7	-26	36.3	0	0	0	112.4	L496 I540 A542	P494-L496 PolarHBondContact O-N 3.02Å; P494-I540 HydrophobicContact CB-CG2 4.19Å; P494-A542 HydrophobicContact CB-CB 4.2Å
495	H	97.8	Very high	96.2	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.014	23%	0.225	C	C	.	.	S	Bend	trans	-73.8	-0.1	174.7	74.5	-103	0	0	0	113.3	H488 P493 T497 C545 H547 W562 V563 P565	H488-H495 AromaticContact NE2-CE1 3.55Å; P493-H495 PolarHBondContact O-N 2.96Å; P493-H495 VanDerWaalsContact O-N 3.14Å; H495-T497 PolarHBondContact O-N 2.83Å; H495-C545 WeakPolarHBondContact NE2-CB 3.24Å; H495-C545 PolarHBondContact NE2-SG 3.01Å; H495-H547 AromaticContact NE2-CD2 3.87Å; H495-W562 AromaticContact CD2-CD1 3.79Å; H495-W562 AromaticContact CD2-CE2 3.79Å; H495-W562 AromaticContact CD2-NE1 3.22Å; H495-W562 PolarHBondContact CD2-NE1 2.89Å; H495-W562 AromaticContact NE2-NE1 3.22Å; H495-W562 PolarHBondContact NE2-NE1 2.85Å; H495-V563 HydrophobicContact CB-CG2 4.04Å; H495-V563 WeakPolarHBondContact CB-O 3.21Å; H495-V563 PolarHBondContact CD2-O 3.21Å; H495-V563 VanDerWaalsContact CD2-O 3.29Å; H495-V563 WeakPolarHBondContact O-CG2 3.17Å; H495-V563 PolarHBondContact O-N 2.99Å; H495-P565 HydrophobicContact CB-CB 4.19Å
496	L	98.1	Very high	96.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	73.3	169.3	-62.4	-43.5	0	0	0	108	P494 V524 Y525 I540 A542 C545 W562	P494-L496 PolarHBondContact O-N 3.02Å; L496-V524 HydrophobicContact CD2-CG1 3.86Å; L496-V524 HydrophobicContact CG-CG1 3.94Å; L496-Y525 HydrophobicContact CB-CE1 4.25Å; L496-Y525 WeakPolarHBondContact CB-OH 3.36Å; L496-Y525 WeakPolarHBondContact CD1-OH 3.33Å; L496-Y525 HydrophobicContact CG-CE1 4.49Å; L496-Y525 WeakPolarHBondContact CG-OH 3.2Å; L496-I540 HydrophobicContact CB-CD1 4.36Å; L496-I540 HydrophobicContact CB-CG2 3.99Å; L496-I540 HydrophobicContact CD2-CG2 4.14Å; L496-I540 HydrophobicContact CG-CG2 4.3Å; L496-A542 HydrophobicContact CD2-CB 3.79Å; L496-C545 HydrophobicContact CD2-CB 4.19Å; L496-W562 VanDerWaalsContact CD1-CD1 3.46Å; L496-W562 HydrophobicContact CD1-CG 4.47Å
497	T	97.6	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.7	-172.8	63.6	0	0	0	0	111.4	T35 H37 V40 H495 N561 V563	T35-T497 HydrophobicContact CG2-CG2 4.33Å; H37-T497 HydrophobicContact CB-CG2 3.46Å; H37-T497 VanDerWaalsContact CB-CG2 3.46Å; V40-T497 HydrophobicContact CG2-CG2 4.46Å; H495-T497 PolarHBondContact O-N 2.83Å; T497-N561 PolarHBondContact N-O 3.23Å; T497-N561 PolarHBondContact O-N 2.2Å; T497-N561 WeakPolarHBondContact OG1-CB 3.42Å; T497-N561 PolarHBondContact OG1-ND2 3.19Å; T497-N561 PolarHBondContact OG1-O 2.91Å; T497-V563 HydrophobicContact CG2-CG2 3.98Å
498	L	97.7	Very high	96.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.1	169.3	-49.9	-179.7	0	0	0	108.7	I34 T35 D500 P504 L538 I540 N559 I560	I34-L498 HydrophobicContact CB-CD1 4.37Å; I34-L498 HydrophobicContact CD1-CD1 4.22Å; I34-L498 HydrophobicContact CG2-CD1 4.26Å; T35-L498 WeakPolarHBondContact OG1-CB 3.26Å; T35-L498 PolarHBondContact OG1-N 3.08Å; T35-L498 PolarHBondContact OG1-O 3.46Å; L498-D500 VanDerWaalsContact C-N 3.34Å; L498-P504 HydrophobicContact CD1-CG 3.85Å; L498-L538 HydrophobicContact CD1-CD2 4.22Å; L498-I540 HydrophobicContact CD2-CD1 4.48Å; L498-I540 HydrophobicContact CG-CD1 4.46Å; L498-N559 WeakPolarHBondContact CA-O 3.4Å; L498-I560 HydrophobicContact CD2-CG1 3.76Å
499	L	96	Very high	96.2	Very high	118 Å²	118	44.3 Å²	44.3	62%	0.618	23%	0.225	S	C	*	.	S	Bend	trans	-76.3	-29.6	170.3	-60.5	175.7	0	0	0	111.3	N559	L499-N559 WeakPolarHBondContact CA-OD1 3.44Å; L499-N559 WeakPolarHBondContact CB-OD1 3.24Å; L499-N559 PolarHBondContact N-O 3.41Å; L499-N559 PolarHBondContact N-OD1 3.4Å
500	D	96.1	Very high	96.2	Very high	72 Å²	72	43 Å²	43	39%	0.385	23%	0.225	S	C	.	.			trans	-139.6	118.5	173.6	-177.1	-4.3	0	0	0	109	L498 D502 V503 N559	L498-D500 VanDerWaalsContact C-N 3.34Å; D500-D502 PolarHBondContact O-N 2.62Å; D500-D502 VanDerWaalsContact OD1-CB 3.31Å; D500-D502 WeakPolarHBondContact OD1-CB 3.48Å; D500-D502 PolarHBondContact OD1-N 2.98Å; D500-V503 HydrophobicContact CB-CB 4.46Å; D500-V503 HydrophobicContact CB-CG2 3.85Å; D500-N559 PolarHBondContact N-OD1 3.43Å; D500-N559 PolarHBondContact O-ND2 3.3Å; D500-N559 PolarHBondContact O-OD1 3.37Å
501	D	95.4	Very high	96.4	Very high	37 Å²	37	39.9 Å²	39.9	20%	0.198	21%	0.214	C	C	.	.	S	Bend	trans	-69.2	-18.6	179.1	-81.9	-4.7	0	0	0	112.5	K33 I34 T35 P504	K33-D501 WeakPolarHBondContact CA-OD2 3.34Å; I34-D501 PolarHBondContact N-OD2 3.39Å; T35-D501 WeakPolarHBondContact CB-OD1 3.42Å; T35-D501 PolarHBondContact N-OD1 2.91Å; T35-D501 VanDerWaalsContact N-OD1 3.13Å; T35-D501 PolarHBondContact N-OD2 3.15Å; T35-D501 PolarHBondContact OG1-OD1 3.19Å; D501-P504 WeakPolarHBondContact O-CD 3.48Å
502	D	94.3	Very high	96.5	Very high	65 Å²	65	38.2 Å²	38.2	35%	0.348	20%	0.203	S	C	.	.	S	Bend	trans	-79.7	-32.1	179.9	-82.1	-55.6	0	0	0	113.7	D500 P504 L505 K506	D500-D502 PolarHBondContact O-N 2.62Å; D500-D502 VanDerWaalsContact OD1-CB 3.31Å; D500-D502 WeakPolarHBondContact OD1-CB 3.48Å; D500-D502 PolarHBondContact OD1-N 2.98Å; D502-P504 VanDerWaalsContact C-N 3.32Å; D502-L505 PolarHBondContact O-N 3.11Å; D502-K506 HydrophobicContact CB-CD 3.73Å; D502-K506 HydrophobicContact CB-CG 4.14Å; D502-K506 PolarHBondContact O-N 3.34Å; D502-K506 WeakPolarHBondContact OD1-CE 3.27Å; D502-K506 IonicContact OD1-NZ 2.72Å; D502-K506 PolarHBondContact OD1-NZ 2.64Å; D502-K506 VanDerWaalsContact OD1-NZ 3.12Å; D502-K506 IonicContact OD2-NZ 3.44Å; D502-K506 PolarHBondContact OD2-NZ 3.01Å
503	V	96.2	Very high	96.5	Very high	23 Å²	23	39.4 Å²	39.4	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-52	-39.5	-172.5	159	0	0	0	0	114.2	D500 L505 T507 N508 L557 N559	D500-V503 HydrophobicContact CB-CB 4.46Å; D500-V503 HydrophobicContact CB-CG2 3.85Å; V503-L505 VanDerWaalsContact C-N 3.28Å; V503-L505 PolarHBondContact O-N 3.11Å; V503-T507 PolarHBondContact O-N 3.3Å; V503-N508 PolarHBondContact O-N 3.12Å; V503-L557 HydrophobicContact CG1-CB 4.49Å; V503-L557 HydrophobicContact CG1-CD1 3.5Å; V503-N559 HydrophobicContact CB-CB 4.46Å; V503-N559 HydrophobicContact CG1-CB 3.93Å
504	P	95.8	Very high	96.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.207	C	C	.	.	I	π-helix	trans	-55.4	-40	174.5	-28.5	36.7	0	0	0	113.9	L498 D501 D502 N508 L509 F527 L538	L498-P504 HydrophobicContact CD1-CG 3.85Å; D501-P504 WeakPolarHBondContact O-CD 3.48Å; D502-P504 VanDerWaalsContact C-N 3.32Å; P504-N508 PolarHBondContact O-N 2.92Å; P504-L509 WeakPolarHBondContact O-CB 3.23Å; P504-L509 PolarHBondContact O-N 3.23Å; P504-F527 HydrophobicContact CB-CE1 4.04Å; P504-F527 HydrophobicContact CB-CZ 4.24Å; P504-L538 HydrophobicContact CB-CB 4.15Å; P504-L538 HydrophobicContact CB-CD2 3.71Å; P504-L538 HydrophobicContact CB-CG 4.47Å; P504-L538 HydrophobicContact CG-CD2 3.58Å
505	L	94.2	Very high	96.5	Very high	59 Å²	59	39 Å²	39	31%	0.309	21%	0.207	S	C	.	.	I	π-helix	trans	-91.3	-36.4	-176.3	-60.5	176.4	0	0	0	112.5	D502 V503 L509 P510 F527 Y536	D502-L505 PolarHBondContact O-N 3.11Å; V503-L505 VanDerWaalsContact C-N 3.28Å; V503-L505 PolarHBondContact O-N 3.11Å; L505-L509 HydrophobicContact CD2-CD2 4.48Å; L505-P510 WeakPolarHBondContact O-CD 3.4Å; L505-P510 WeakPolarHBondContact O-CG 3.45Å; L505-F527 HydrophobicContact CD2-CD1 3.91Å; L505-F527 HydrophobicContact CD2-CE1 3.95Å; L505-Y536 WeakPolarHBondContact CD1-O 3.12Å; L505-Y536 VanDerWaalsContact CD2-O 3.3Å; L505-Y536 WeakPolarHBondContact CD2-O 3.22Å
506	K	94.6	Very high	96.4	Very high	134 Å²	134	39 Å²	39	58%	0.583	21%	0.207	S	C	*	.	I	π-helix	trans	-77.3	-30.3	179.2	-65.8	-173.7	-171.5	162.8	0	113	D502	D502-K506 HydrophobicContact CB-CD 3.73Å; D502-K506 HydrophobicContact CB-CG 4.14Å; D502-K506 PolarHBondContact O-N 3.34Å; D502-K506 WeakPolarHBondContact OD1-CE 3.27Å; D502-K506 IonicContact OD1-NZ 2.72Å; D502-K506 PolarHBondContact OD1-NZ 2.64Å; D502-K506 VanDerWaalsContact OD1-NZ 3.12Å; D502-K506 IonicContact OD2-NZ 3.44Å; D502-K506 PolarHBondContact OD2-NZ 3.01Å
507	T	96.4	Very high	96.3	Very high	45 Å²	45	41.1 Å²	41.1	28%	0.276	22%	0.222	S	C	.	.	I	π-helix	trans	-131.9	-49.9	-173.9	-43.9	0	0	0	0	114.9	V503 P510 V511 L557	V503-T507 PolarHBondContact O-N 3.3Å; T507-P510 WeakPolarHBondContact O-CD 2.9Å; T507-V511 HydrophobicContact CG2-CB 4.34Å; T507-V511 HydrophobicContact CG2-CG2 3.92Å; T507-V511 VanDerWaalsContact O-CB 3.24Å; T507-V511 WeakPolarHBondContact O-CB 2.7Å; T507-V511 WeakPolarHBondContact O-CG2 3.26Å; T507-V511 PolarHBondContact O-N 3Å; T507-L557 HydrophobicContact CG2-CD1 3.75Å
508	N	96.7	Very high	96.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.228	C	C	.	.	I	π-helix	trans	-66.1	-46.4	-172.9	-70.2	-0.9	0	0	0	112.2	V503 P504 Y512 D513 G514 E516 D555	V503-N508 PolarHBondContact O-N 3.12Å; P504-N508 PolarHBondContact O-N 2.92Å; N508-Y512 CarbonylContact O-C 3.53Å; N508-Y512 WeakPolarHBondContact O-CA 3.41Å; N508-Y512 WeakPolarHBondContact O-CB 3.44Å; N508-Y512 PolarHBondContact O-N 2.77Å; N508-D513 PolarHBondContact O-N 2.91Å; N508-G514 PolarHBondContact O-N 3.5Å; N508-E516 WeakPolarHBondContact CB-OE1 3.45Å; N508-E516 PolarHBondContact ND2-OE1 2.71Å; N508-D555 PolarHBondContact ND2-OD1 3.08Å; N508-D555 VanDerWaalsContact ND2-OD1 3.13Å
509	L	96.3	Very high	96.3	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-50.2	175.8	-171.6	64	0	0	0	112.4	P504 L505 D513 F527 Y536	P504-L509 WeakPolarHBondContact O-CB 3.23Å; P504-L509 PolarHBondContact O-N 3.23Å; L505-L509 HydrophobicContact CD2-CD2 4.48Å; L509-D513 WeakPolarHBondContact O-CA 2.97Å; L509-D513 PolarHBondContact O-N 3.16Å; L509-D513 VanDerWaalsContact O-N 3.07Å; L509-F527 HydrophobicContact CB-CD1 4.46Å; L509-F527 HydrophobicContact CB-CE1 4.05Å; L509-F527 HydrophobicContact CB-CZ 4.2Å; L509-F527 HydrophobicContact CD1-CD1 4.44Å; L509-F527 HydrophobicContact CD1-CD2 4.15Å; L509-F527 HydrophobicContact CD1-CE2 4.37Å; L509-F527 HydrophobicContact CD1-CG 4.19Å; L509-F527 HydrophobicContact CD2-CD1 3.93Å; L509-F527 HydrophobicContact CD2-CE1 4.32Å; L509-F527 HydrophobicContact CD2-CG 4.29Å; L509-Y536 HydrophobicContact CD2-CD2 4.15Å; L509-Y536 HydrophobicContact CD2-CG 4.27Å
510	P	96.1	Very high	96.3	Very high	72 Å²	72	37.8 Å²	37.8	47%	0.468	20%	0.203	S	C	.	.	H	α-helix	trans	-74.1	-31.9	-176.2	-21.1	36	0	0	0	115.3	L505 T507	L505-P510 WeakPolarHBondContact O-CD 3.4Å; L505-P510 WeakPolarHBondContact O-CG 3.45Å; T507-P510 WeakPolarHBondContact O-CD 2.9Å
511	V	97.7	Very high	96.3	Very high	56 Å²	56	34.9 Å²	34.9	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-96.2	-38.1	-175.7	-176.8	0	0	0	0	112	P457 S458 T507	P457-V511 CarbonylContact C-O 3.52Å; P457-V511 VanDerWaalsContact CA-O 3.31Å; P457-V511 WeakPolarHBondContact CA-O 3.46Å; P457-V511 HydrophobicContact CB-CG1 4.11Å; P457-V511 HydrophobicContact CG-CG1 4.28Å; S458-V511 PolarHBondContact N-O 3.06Å; S458-V511 PolarHBondContact OG-O 3.17Å; T507-V511 HydrophobicContact CG2-CB 4.34Å; T507-V511 HydrophobicContact CG2-CG2 3.92Å; T507-V511 VanDerWaalsContact O-CB 3.24Å; T507-V511 WeakPolarHBondContact O-CB 2.7Å; T507-V511 WeakPolarHBondContact O-CG2 3.26Å; T507-V511 PolarHBondContact O-N 3Å
512	Y	98	Very high	96.4	Very high	40 Å²	40	33.2 Å²	33.2	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-114	2.5	-173.4	-59.4	-80.2	0	0	0	113.7	T325 T455 K456 N508 G514 P515 P556	T325-Y512 WeakPolarHBondContact CB-O 3.36Å; T325-Y512 WeakPolarHBondContact CG2-O 3.25Å; T325-Y512 PolarHBondContact OG1-O 2.95Å; T455-Y512 HydrophobicContact CG2-CD1 4.08Å; T455-Y512 HydrophobicContact CG2-CE1 4.41Å; T455-Y512 WeakPolarHBondContact O-CE1 3.37Å; K456-Y512 WeakPolarHBondContact O-CD1 3.11Å; N508-Y512 CarbonylContact O-C 3.53Å; N508-Y512 WeakPolarHBondContact O-CA 3.41Å; N508-Y512 WeakPolarHBondContact O-CB 3.44Å; N508-Y512 PolarHBondContact O-N 2.77Å; Y512-G514 PolarHBondContact O-N 2.79Å; Y512-P515 VanDerWaalsContact CB-CD 3.48Å; Y512-P556 HydrophobicContact CD1-CG 4.22Å; Y512-P556 HydrophobicContact CD2-CB 4.24Å; Y512-P556 HydrophobicContact CD2-CG 4.11Å; Y512-P556 HydrophobicContact CE1-CB 4.23Å; Y512-P556 HydrophobicContact CE1-CG 4.3Å; Y512-P556 HydrophobicContact CE2-CB 3.82Å; Y512-P556 HydrophobicContact CE2-CG 4.18Å; Y512-P556 HydrophobicContact CG-CG 4.13Å
513	D	97	Very high	96.5	Very high	41 Å²	41	31.1 Å²	31.1	22%	0.219	17%	0.173	C	C	.	.	S	Bend	trans	56.6	38.6	-174.7	-163	-27	0	0	0	110.3	Y326 K463 N508 L509 R518	Y326-D513 HydrophobicContact CE1-CB 3.93Å; Y326-D513 WeakPolarHBondContact CE1-OD2 3.26Å; Y326-D513 PolarHBondContact OH-OD2 3.25Å; K463-D513 IonicContact NZ-OD2 3.9Å; K463-D513 PolarHBondContact NZ-OD2 3.26Å; N508-D513 PolarHBondContact O-N 2.91Å; L509-D513 WeakPolarHBondContact O-CA 2.97Å; L509-D513 PolarHBondContact O-N 3.16Å; L509-D513 VanDerWaalsContact O-N 3.07Å; D513-R518 PolarHBondContact O-NH1 2.95Å; D513-R518 PolarHBondContact O-NH2 2.92Å; D513-R518 IonicContact OD1-NH2 3.95Å; D513-R518 PolarHBondContact OD1-NH2 2.8Å; D513-R518 IonicContact OD2-NH2 3.04Å
514	G	96.7	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.			trans	63.4	56.8	171.8	0	0	0	0	0	115.9	N508 Y512 E516 S517	N508-G514 PolarHBondContact O-N 3.5Å; Y512-G514 PolarHBondContact O-N 2.79Å; G514-E516 VanDerWaalsContact CA-OE2 3.22Å; G514-E516 WeakPolarHBondContact CA-OE2 3.27Å; G514-E516 PolarHBondContact O-N 2.87Å; G514-E516 VanDerWaalsContact O-N 3.09Å; G514-S517 WeakPolarHBondContact O-CB 2.99Å; G514-S517 PolarHBondContact O-N 3.31Å; G514-S517 VanDerWaalsContact O-N 3.11Å; G514-S517 PolarHBondContact O-OG 3.43Å
515	P	97.4	Very high	96.7	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.026	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.7	-176.8	23.5	-35.1	0	0	0	115.2	Y512 S517 R518 Y519 P556	Y512-P515 VanDerWaalsContact CB-CD 3.48Å; P515-S517 PolarHBondContact O-N 2.69Å; P515-R518 WeakPolarHBondContact O-CA 3.39Å; P515-R518 PolarHBondContact O-N 3.33Å; P515-Y519 HydrophobicContact CB-CD1 3.91Å; P515-Y519 HydrophobicContact CB-CE1 3.95Å; P515-Y519 HydrophobicContact CG-CE1 4.3Å; P515-Y519 VanDerWaalsContact O-CD1 3.23Å; P515-Y519 WeakPolarHBondContact O-CD1 3.16Å; P515-Y519 PolarHBondContact O-N 2.7Å; P515-P556 HydrophobicContact CG-CG 4.13Å
516	E	97.1	Very high	96.8	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-32.8	176.3	51	-89.5	-104	0	0	113.1	N508 G514 R518 Y519 C520 Y525 F527	N508-E516 WeakPolarHBondContact CB-OE1 3.45Å; N508-E516 PolarHBondContact ND2-OE1 2.71Å; G514-E516 VanDerWaalsContact CA-OE2 3.22Å; G514-E516 WeakPolarHBondContact CA-OE2 3.27Å; G514-E516 PolarHBondContact O-N 2.87Å; G514-E516 VanDerWaalsContact O-N 3.09Å; E516-R518 PolarHBondContact O-N 3.32Å; E516-Y519 VanDerWaalsContact CA-CZ 3.44Å; E516-Y519 HydrophobicContact CB-CE1 4.4Å; E516-Y519 HydrophobicContact CB-CE2 4.04Å; E516-Y519 WeakPolarHBondContact CB-OH 3.32Å; E516-C520 VanDerWaalsContact O-CB 3.27Å; E516-C520 WeakPolarHBondContact O-CB 3.49Å; E516-Y525 HydrophobicContact CB-CD1 4.35Å; E516-Y525 HydrophobicContact CB-CD2 4.1Å; E516-Y525 HydrophobicContact CB-CG 3.84Å; E516-Y525 HydrophobicContact CG-CG 4.32Å; E516-F527 HydrophobicContact CG-CE2 3.82Å; E516-F527 HydrophobicContact CG-CZ 3.98Å
517	S	96.2	Very high	96.8	Very high	47 Å²	47	27.1 Å²	27.1	33%	0.329	15%	0.153	S	C	.	.	H	α-helix	trans	-70.9	-7.3	172.5	70	0	0	0	0	114.4	G514 P515	G514-S517 WeakPolarHBondContact O-CB 2.99Å; G514-S517 PolarHBondContact O-N 3.31Å; G514-S517 VanDerWaalsContact O-N 3.11Å; G514-S517 PolarHBondContact O-OG 3.43Å; P515-S517 PolarHBondContact O-N 2.69Å
518	R	96.3	Very high	96.6	Very high	34 Å²	34	26.1 Å²	26.1	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-121.3	-42.4	-173.9	-59.5	-166.5	-164.7	88.4	17.9	114.2	T325 K328 P329 D513 P515 E516 C520	T325-R518 WeakPolarHBondContact O-CD 3.25Å; T325-R518 PolarHBondContact O-NH1 2.81Å; T325-R518 VanDerWaalsContact O-NH1 3.14Å; K328-R518 WeakPolarHBondContact CA-O 3.17Å; K328-R518 HydrophobicContact CG-CB 3.62Å; K328-R518 HydrophobicContact CG-CG 3.78Å; P329-R518 VanDerWaalsContact CD-O 3.26Å; P329-R518 WeakPolarHBondContact CD-O 3.16Å; D513-R518 PolarHBondContact O-NH1 2.95Å; D513-R518 PolarHBondContact O-NH2 2.92Å; D513-R518 IonicContact OD1-NH2 3.95Å; D513-R518 PolarHBondContact OD1-NH2 2.8Å; D513-R518 IonicContact OD2-NH2 3.04Å; P515-R518 WeakPolarHBondContact O-CA 3.39Å; P515-R518 PolarHBondContact O-N 3.33Å; E516-R518 PolarHBondContact O-N 3.32Å; R518-C520 PolarHBondContact O-N 3.35Å
519	Y	97	Very high	96.4	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-75.8	-15.1	178.2	63.3	-130.5	0	0	0	113	Y322 P515 E516 P521 T550 C551 K554 D555 I560	Y322-Y519 VanDerWaalsContact OH-CB 3.29Å; Y322-Y519 WeakPolarHBondContact OH-CB 3.15Å; P515-Y519 HydrophobicContact CB-CD1 3.91Å; P515-Y519 HydrophobicContact CB-CE1 3.95Å; P515-Y519 HydrophobicContact CG-CE1 4.3Å; P515-Y519 VanDerWaalsContact O-CD1 3.23Å; P515-Y519 WeakPolarHBondContact O-CD1 3.16Å; P515-Y519 PolarHBondContact O-N 2.7Å; E516-Y519 VanDerWaalsContact CA-CZ 3.44Å; E516-Y519 HydrophobicContact CB-CE1 4.4Å; E516-Y519 HydrophobicContact CB-CE2 4.04Å; E516-Y519 WeakPolarHBondContact CB-OH 3.32Å; Y519-P521 VanDerWaalsContact O-CD 3.32Å; Y519-P521 WeakPolarHBondContact O-CD 3.39Å; Y519-T550 HydrophobicContact CD2-CG2 4.28Å; Y519-T550 HydrophobicContact CG-CG2 4.49Å; Y519-T550 WeakPolarHBondContact O-CG2 3.45Å; Y519-C551 VanDerWaalsContact CE2-CA 3.46Å; Y519-C551 HydrophobicContact CE2-CB 3.69Å; Y519-K554 HydrophobicContact CD1-CB 4.01Å; Y519-K554 HydrophobicContact CD1-CG 3.67Å; Y519-K554 HydrophobicContact CE1-CB 4.28Å; Y519-K554 HydrophobicContact CE1-CG 4.26Å; Y519-K554 HydrophobicContact CG-CB 4.26Å; Y519-K554 HydrophobicContact CG-CG 4.13Å; Y519-D555 WeakPolarHBondContact OH-CB 3.41Å; Y519-I560 VanDerWaalsContact OH-CD1 3.26Å; Y519-I560 WeakPolarHBondContact OH-CD1 3.32Å
520	C	97.7	Very high	95.9	Very high	13 Å²	13	29.9 Å²	29.9	9%	0.088	17%	0.171	C	C	.	.			trans	-78	115.8	178.9	-175.6	0	0	0	0	110.6	E516 R518 A522 V524 Y525	E516-C520 VanDerWaalsContact O-CB 3.27Å; E516-C520 WeakPolarHBondContact O-CB 3.49Å; R518-C520 PolarHBondContact O-N 3.35Å; C520-A522 PolarHBondContact O-N 2.84Å; C520-V524 PolarHBondContact SG-N 2.85Å; C520-V524 VanDerWaalsContact SG-N 3.43Å; C520-Y525 HydrophobicContact CB-CD2 3.9Å; C520-Y525 HydrophobicContact CB-CE2 4.38Å
521	P	96.3	Very high	95.3	Very high	12 Å²	12	34.9 Å²	34.9	8%	0.078	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	17.8	178.2	36	-39.9	0	0	0	113.4	I265 L267 L477 Y519 I546 C548	I265-P521 HydrophobicContact CD1-CB 3.99Å; I265-P521 HydrophobicContact CD1-CG 3.86Å; L267-P521 HydrophobicContact CD2-CB 3.82Å; L267-P521 HydrophobicContact CG-CB 4.42Å; L477-P521 WeakPolarHBondContact CD1-O 3.16Å; Y519-P521 VanDerWaalsContact O-CD 3.32Å; Y519-P521 WeakPolarHBondContact O-CD 3.39Å; P521-I546 HydrophobicContact CB-CD1 4.15Å; P521-I546 HydrophobicContact CG-CD1 3.73Å; P521-I546 HydrophobicContact CG-CG1 4.1Å; P521-C548 HydrophobicContact CG-CB 4.27Å; P521-C548 WeakPolarHBondContact CG-SG 3.46Å
522	A	97.3	Very high	94.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.2	12.2	-173.7	0	0	0	0	0	116.2	V481 C520 V524 N544 I546	V481-A522 HydrophobicContact CG2-CB 3.63Å; C520-A522 PolarHBondContact O-N 2.84Å; A522-V524 VanDerWaalsContact C-N 3.25Å; A522-V524 HydrophobicContact CB-CG2 4.25Å; A522-V524 PolarHBondContact O-N 2.7Å; A522-N544 VanDerWaalsContact CB-O 3.28Å; A522-N544 WeakPolarHBondContact CB-O 3.07Å; A522-N544 WeakPolarHBondContact O-CB 3.39Å; A522-N544 PolarHBondContact O-ND2 3.27Å; A522-I546 HydrophobicContact CB-CG1 4.16Å; A522-I546 HydrophobicContact CB-CG2 4.07Å
523	G	96	Very high	94	Very high	21 Å²	21	36.6 Å²	36.6	22%	0.216	22%	0.218	C	C	.	.			trans	62.5	27.5	175.1	0	0	0	0	0	115	Y525 N541	G523-Y525 VanDerWaalsContact C-N 3.28Å; G523-Y525 PolarHBondContact O-N 2.64Å; G523-N541 PolarHBondContact O-ND2 3.19Å
524	V	97.8	Very high	93.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	24%	0.244	C	C	.	.			trans	-68.6	-27.1	-178.4	175.6	0	0	0	0	112.2	L496 C520 A522 I540 N541 N544 C545	L496-V524 HydrophobicContact CD2-CG1 3.86Å; L496-V524 HydrophobicContact CG-CG1 3.94Å; C520-V524 PolarHBondContact SG-N 2.85Å; C520-V524 VanDerWaalsContact SG-N 3.43Å; A522-V524 VanDerWaalsContact C-N 3.25Å; A522-V524 HydrophobicContact CB-CG2 4.25Å; A522-V524 PolarHBondContact O-N 2.7Å; V524-I540 HydrophobicContact CG1-CG2 4Å; V524-I540 CarbonylContact O-C 3.53Å; V524-I540 WeakPolarHBondContact O-CA 3.35Å; V524-N541 PolarHBondContact O-N 3.23Å; V524-N544 HydrophobicContact CG2-CB 4.06Å; V524-C545 HydrophobicContact CG2-CB 4.07Å
525	Y	97.8	Very high	92.8	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.1	-174.7	-54.9	-83.6	0	0	0	110.3	L496 E516 C520 G523 L538 I540 C551 I560	L496-Y525 HydrophobicContact CB-CE1 4.25Å; L496-Y525 WeakPolarHBondContact CB-OH 3.36Å; L496-Y525 WeakPolarHBondContact CD1-OH 3.33Å; L496-Y525 HydrophobicContact CG-CE1 4.49Å; L496-Y525 WeakPolarHBondContact CG-OH 3.2Å; E516-Y525 HydrophobicContact CB-CD1 4.35Å; E516-Y525 HydrophobicContact CB-CD2 4.1Å; E516-Y525 HydrophobicContact CB-CG 3.84Å; E516-Y525 HydrophobicContact CG-CG 4.32Å; C520-Y525 HydrophobicContact CB-CD2 3.9Å; C520-Y525 HydrophobicContact CB-CE2 4.38Å; G523-Y525 VanDerWaalsContact C-N 3.28Å; G523-Y525 PolarHBondContact O-N 2.64Å; Y525-L538 HydrophobicContact CD1-CD1 4.45Å; Y525-L538 HydrophobicContact CD1-CD2 4.48Å; Y525-I540 HydrophobicContact CD1-CD1 4.22Å; Y525-I540 HydrophobicContact CD1-CG1 4.06Å; Y525-I540 HydrophobicContact CE1-CD1 3.96Å; Y525-I540 HydrophobicContact CE1-CG1 4.25Å; Y525-C551 HydrophobicContact CE2-CB 3.78Å; Y525-C551 WeakPolarHBondContact OH-CB 3.44Å; Y525-C551 PolarHBondContact OH-SG 2.86Å; Y525-I560 HydrophobicContact CE1-CD1 3.94Å
526	E	95.9	Very high	92.4	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.6	-177.3	-169.9	177.6	-177	0	0	110.5	V528 Q539 N541	E526-V528 HydrophobicContact CB-CG1 4.32Å; E526-V528 HydrophobicContact CG-CG1 3.72Å; E526-V528 PolarHBondContact O-N 3.25Å; E526-Q539 PolarHBondContact N-O 3.25Å; E526-Q539 VanDerWaalsContact N-O 3.07Å; E526-Q539 PolarHBondContact O-N 2.66Å; E526-N541 PolarHBondContact OE2-ND2 2.78Å
527	F	94.9	Very high	92.2	Very high	31 Å²	31	53 Å²	53	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	94.4	172.5	-68.3	-81.2	0	0	0	108.6	P504 L505 L509 E516 Y536 Q537 L538	P504-F527 HydrophobicContact CB-CE1 4.04Å; P504-F527 HydrophobicContact CB-CZ 4.24Å; L505-F527 HydrophobicContact CD2-CD1 3.91Å; L505-F527 HydrophobicContact CD2-CE1 3.95Å; L509-F527 HydrophobicContact CB-CD1 4.46Å; L509-F527 HydrophobicContact CB-CE1 4.05Å; L509-F527 HydrophobicContact CB-CZ 4.2Å; L509-F527 HydrophobicContact CD1-CD1 4.44Å; L509-F527 HydrophobicContact CD1-CD2 4.15Å; L509-F527 HydrophobicContact CD1-CE2 4.37Å; L509-F527 HydrophobicContact CD1-CG 4.19Å; L509-F527 HydrophobicContact CD2-CD1 3.93Å; L509-F527 HydrophobicContact CD2-CE1 4.32Å; L509-F527 HydrophobicContact CD2-CG 4.29Å; E516-F527 HydrophobicContact CG-CE2 3.82Å; E516-F527 HydrophobicContact CG-CZ 3.98Å; F527-Y536 HydrophobicContact CB-CD1 4.2Å; F527-Y536 WeakPolarHBondContact O-CD1 3.49Å; F527-Q537 WeakPolarHBondContact CA-O 2.99Å; F527-L538 HydrophobicContact CD1-CB 4.32Å; F527-L538 HydrophobicContact CD1-CD1 4.42Å; F527-L538 HydrophobicContact CE1-CB 4.1Å; F527-L538 HydrophobicContact CE1-CD1 4.17Å; F527-L538 HydrophobicContact CE2-CD1 4.44Å; F527-L538 HydrophobicContact CZ-CD1 4.18Å
528	V	93.4	Very high	92.2	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	154.8	178.3	-57.7	0	0	0	0	110.1	E526 Y536 Q537 Q539	E526-V528 HydrophobicContact CB-CG1 4.32Å; E526-V528 HydrophobicContact CG-CG1 3.72Å; E526-V528 PolarHBondContact O-N 3.25Å; V528-Y536 CarbonylContact O-C 3.46Å; V528-Y536 VanDerWaalsContact O-CA 3.29Å; V528-Y536 WeakPolarHBondContact O-CA 3.38Å; V528-Q537 HydrophobicContact CG2-CG 3.5Å; V528-Q537 VanDerWaalsContact CG2-CG 3.5Å; V528-Q537 PolarHBondContact N-O 2.73Å; V528-Q537 PolarHBondContact O-N 3.26Å; V528-Q539 HydrophobicContact CG1-CB 4.32Å; V528-Q539 HydrophobicContact CG2-CB 4.14Å
529	P	91.4	Very high	92.1	Very high	83 Å²	83	53.5 Å²	53.5	54%	0.539	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	149.9	173.4	-25.8	35.6	0	0	0	112.8	S535 Q537	P529-S535 WeakPolarHBondContact CA-O 3.42Å; P529-Q537 PolarHBondContact O-NE2 2.87Å
530	D	86.4	Confident	92.1	Very high	43 Å²	43	53.9 Å²	53.9	23%	0.23	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-76.2	171.1	170.4	85.1	-61	0	0	0	111.9	S532 G533 N534 S535	D530-S532 VanDerWaalsContact CG-OG 3.24Å; D530-S532 PolarHBondContact O-N 3.28Å; D530-S532 PolarHBondContact OD1-OG 2.68Å; D530-S532 VanDerWaalsContact OD1-OG 3.1Å; D530-S532 WeakPolarHBondContact OD2-CA 3.45Å; D530-S532 WeakPolarHBondContact OD2-CB 3.4Å; D530-S532 PolarHBondContact OD2-N 2.75Å; D530-S532 PolarHBondContact OD2-OG 3.18Å; D530-G533 PolarHBondContact O-N 3.46Å; D530-G533 PolarHBondContact OD1-N 2.96Å; D530-N534 PolarHBondContact OD1-N 3.02Å; D530-S535 PolarHBondContact N-O 2.04Å; D530-S535 WeakPolarHBondContact OD1-CA 3.27Å; D530-S535 PolarHBondContact OD1-N 3.05Å
531	E	83.4	Confident	92	Very high	178 Å²	178	54.3 Å²	54.3	83%	0.832	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.7	179.2	-66.2	-172.8	-178.8	0	0	113.7
532	S	85.4	Confident	92	Very high	73 Å²	73	54.3 Å²	54.3	51%	0.51	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-17.4	172.3	82.2	0	0	0	0	113.8	D530 N534	D530-S532 VanDerWaalsContact CG-OG 3.24Å; D530-S532 PolarHBondContact O-N 3.28Å; D530-S532 PolarHBondContact OD1-OG 2.68Å; D530-S532 VanDerWaalsContact OD1-OG 3.1Å; D530-S532 WeakPolarHBondContact OD2-CA 3.45Å; D530-S532 WeakPolarHBondContact OD2-CB 3.4Å; D530-S532 PolarHBondContact OD2-N 2.75Å; D530-S532 PolarHBondContact OD2-OG 3.18Å; S532-N534 WeakPolarHBondContact CB-ND2 3.4Å; S532-N534 PolarHBondContact O-N 3.37Å; S532-N534 PolarHBondContact O-ND2 2.82Å; S532-N534 PolarHBondContact OG-N 2.83Å; S532-N534 PolarHBondContact OG-ND2 2.98Å
533	G	82.6	Confident	91.9	Very high	58 Å²	58	56.3 Å²	56.3	60%	0.598	31%	0.313	S	S	*	.	S	Bend	trans	72.2	8.1	-174.2	0	0	0	0	0	115.2	D530	D530-G533 PolarHBondContact O-N 3.46Å; D530-G533 PolarHBondContact OD1-N 2.96Å
534	N	82.4	Confident	91.9	Very high	143 Å²	143	56.8 Å²	56.8	77%	0.765	31%	0.31	S	S	*	.	S	Bend	trans	-102.6	-10.9	-178	-57.1	-79.6	0	0	0	113.2	D530 S532	D530-N534 PolarHBondContact OD1-N 3.02Å; S532-N534 WeakPolarHBondContact CB-ND2 3.4Å; S532-N534 PolarHBondContact O-N 3.37Å; S532-N534 PolarHBondContact O-ND2 2.82Å; S532-N534 PolarHBondContact OG-N 2.83Å; S532-N534 PolarHBondContact OG-ND2 2.98Å
535	S	86.2	Confident	92	Very high	68 Å²	68	57 Å²	57	48%	0.476	31%	0.312	S	S	.	.	S	Bend	trans	-138.5	-178.6	-176.5	-165	0	0	0	0	110.7	P529 D530	P529-S535 WeakPolarHBondContact CA-O 3.42Å; D530-S535 PolarHBondContact N-O 2.04Å; D530-S535 WeakPolarHBondContact OD1-CA 3.27Å; D530-S535 PolarHBondContact OD1-N 3.05Å
536	Y	89.9	Confident	91.9	Very high	126 Å²	126	57.9 Å²	57.9	49%	0.494	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153	171.7	-67	-87	0	0	0	110.5	L505 L509 F527 V528	L505-Y536 WeakPolarHBondContact CD1-O 3.12Å; L505-Y536 VanDerWaalsContact CD2-O 3.3Å; L505-Y536 WeakPolarHBondContact CD2-O 3.22Å; L509-Y536 HydrophobicContact CD2-CD2 4.15Å; L509-Y536 HydrophobicContact CD2-CG 4.27Å; F527-Y536 HydrophobicContact CB-CD1 4.2Å; F527-Y536 WeakPolarHBondContact O-CD1 3.49Å; V528-Y536 CarbonylContact O-C 3.46Å; V528-Y536 VanDerWaalsContact O-CA 3.29Å; V528-Y536 WeakPolarHBondContact O-CA 3.38Å
537	Q	91.9	Very high	92	Very high	54 Å²	54	54.2 Å²	54.2	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.1	165.9	63.1	-171.6	-49.3	0	0	108.8	F527 V528 P529 Q539	F527-Q537 WeakPolarHBondContact CA-O 2.99Å; V528-Q537 HydrophobicContact CG2-CG 3.5Å; V528-Q537 VanDerWaalsContact CG2-CG 3.5Å; V528-Q537 PolarHBondContact N-O 2.73Å; V528-Q537 PolarHBondContact O-N 3.26Å; P529-Q537 PolarHBondContact O-NE2 2.87Å; Q537-Q539 PolarHBondContact O-N 2.69Å
538	L	95.3	Very high	92	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.5	171.9	174.5	68.4	0	0	0	109.3	I34 L498 P504 Y525 F527 I540	I34-L538 HydrophobicContact CD1-CB 3.92Å; I34-L538 HydrophobicContact CD1-CD2 4.37Å; I34-L538 HydrophobicContact CD1-CG 4.4Å; I34-L538 WeakPolarHBondContact CD1-O 3.33Å; L498-L538 HydrophobicContact CD1-CD2 4.22Å; P504-L538 HydrophobicContact CB-CB 4.15Å; P504-L538 HydrophobicContact CB-CD2 3.71Å; P504-L538 HydrophobicContact CB-CG 4.47Å; P504-L538 HydrophobicContact CG-CD2 3.58Å; Y525-L538 HydrophobicContact CD1-CD1 4.45Å; Y525-L538 HydrophobicContact CD1-CD2 4.48Å; F527-L538 HydrophobicContact CD1-CB 4.32Å; F527-L538 HydrophobicContact CD1-CD1 4.42Å; F527-L538 HydrophobicContact CE1-CB 4.1Å; F527-L538 HydrophobicContact CE1-CD1 4.17Å; F527-L538 HydrophobicContact CE2-CD1 4.44Å; F527-L538 HydrophobicContact CZ-CD1 4.18Å; L538-I540 HydrophobicContact CD2-CD1 4.31Å; L538-I540 HydrophobicContact CD2-CG1 4.18Å; L538-I540 HydrophobicContact CG-CG1 4.24Å
539	Q	94.8	Very high	92.1	Very high	84 Å²	84	54.8 Å²	54.8	39%	0.393	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	167.9	-173.8	169.9	-64.6	0	0	110	E526 V528 Q537 N541	E526-Q539 PolarHBondContact N-O 3.25Å; E526-Q539 VanDerWaalsContact N-O 3.07Å; E526-Q539 PolarHBondContact O-N 2.66Å; V528-Q539 HydrophobicContact CG1-CB 4.32Å; V528-Q539 HydrophobicContact CG2-CB 4.14Å; Q537-Q539 PolarHBondContact O-N 2.69Å; Q539-N541 PolarHBondContact NE2-OD1 2.91Å
540	I	96.6	Very high	92.4	Very high	9 Å²	9	51 Å²	51	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	103.8	172.7	-60.7	-170	0	0	0	110	I34 P494 L496 L498 V524 Y525 L538 A542	I34-I540 HydrophobicContact CG2-CB 4.25Å; I34-I540 HydrophobicContact CG2-CD1 3.43Å; I34-I540 VanDerWaalsContact CG2-CD1 3.43Å; I34-I540 HydrophobicContact CG2-CG1 3.62Å; P494-I540 HydrophobicContact CB-CG2 4.19Å; L496-I540 HydrophobicContact CB-CD1 4.36Å; L496-I540 HydrophobicContact CB-CG2 3.99Å; L496-I540 HydrophobicContact CD2-CG2 4.14Å; L496-I540 HydrophobicContact CG-CG2 4.3Å; L498-I540 HydrophobicContact CD2-CD1 4.48Å; L498-I540 HydrophobicContact CG-CD1 4.46Å; V524-I540 HydrophobicContact CG1-CG2 4Å; V524-I540 CarbonylContact O-C 3.53Å; V524-I540 WeakPolarHBondContact O-CA 3.35Å; Y525-I540 HydrophobicContact CD1-CD1 4.22Å; Y525-I540 HydrophobicContact CD1-CG1 4.06Å; Y525-I540 HydrophobicContact CE1-CD1 3.96Å; Y525-I540 HydrophobicContact CE1-CG1 4.25Å; L538-I540 HydrophobicContact CD2-CD1 4.31Å; L538-I540 HydrophobicContact CD2-CG1 4.18Å; L538-I540 HydrophobicContact CG-CG1 4.24Å; I540-A542 HydrophobicContact CG2-CB 4.13Å; I540-A542 PolarHBondContact O-N 3.41Å
541	N	96.4	Very high	92.9	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.123	27%	0.272	C	S	.	.			trans	-80	59.1	173.6	-63.3	-38.1	0	0	0	110.2	G523 V524 E526 Q539 Q543 N544	G523-N541 PolarHBondContact O-ND2 3.19Å; V524-N541 PolarHBondContact O-N 3.23Å; E526-N541 PolarHBondContact OE2-ND2 2.78Å; Q539-N541 PolarHBondContact NE2-OD1 2.91Å; N541-Q543 PolarHBondContact O-N 2.68Å; N541-Q543 VanDerWaalsContact O-N 3.08Å; N541-N544 PolarHBondContact O-N 2.72Å; N541-N544 VanDerWaalsContact O-N 3.07Å
542	A	96.5	Very high	93.6	Very high	11 Å²	11	40.9 Å²	40.9	9%	0.091	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.1	-169.9	0	0	0	0	0	114.4	P494 L496 I540 N544 C545	P494-A542 HydrophobicContact CB-CB 4.2Å; L496-A542 HydrophobicContact CD2-CB 3.79Å; I540-A542 HydrophobicContact CG2-CB 4.13Å; I540-A542 PolarHBondContact O-N 3.41Å; A542-N544 PolarHBondContact O-N 3.19Å; A542-C545 VanDerWaalsContact O-CB 3.27Å; A542-C545 WeakPolarHBondContact O-CB 3.3Å; A542-C545 PolarHBondContact O-N 2.93Å; A542-C545 VanDerWaalsContact O-N 3.09Å
543	Q	94.7	Very high	94.1	Very high	44 Å²	44	37.7 Å²	37.7	21%	0.206	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.4	179.2	72	-70.2	-16.5	0	0	113.8	H488 N541 C545	H488-Q543 HydrophobicContact CB-CB 4.39Å; H488-Q543 PolarHBondContact ND1-O 3.2Å; N541-Q543 PolarHBondContact O-N 2.68Å; N541-Q543 VanDerWaalsContact O-N 3.08Å; Q543-C545 VanDerWaalsContact C-N 3.28Å; Q543-C545 PolarHBondContact O-N 3.48Å
544	N	97.1	Very high	94.8	Very high	30 Å²	30	35 Å²	35	16%	0.16	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-80.1	-1.7	177.8	-61.4	12.1	0	0	0	113.4	V481 A522 V524 N541 A542 I546	V481-N544 HydrophobicContact CG1-CB 4.32Å; A522-N544 VanDerWaalsContact CB-O 3.28Å; A522-N544 WeakPolarHBondContact CB-O 3.07Å; A522-N544 WeakPolarHBondContact O-CB 3.39Å; A522-N544 PolarHBondContact O-ND2 3.27Å; V524-N544 HydrophobicContact CG2-CB 4.06Å; N541-N544 PolarHBondContact O-N 2.72Å; N541-N544 VanDerWaalsContact O-N 3.07Å; A542-N544 PolarHBondContact O-N 3.19Å; N544-I546 PolarHBondContact O-N 2.92Å
545	C	97.9	Very high	95.5	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.054	15%	0.146	C	C	.	.			trans	-73.1	104	-164.3	-166	0	0	0	0	114.2	H488 H495 L496 V524 A542 Q543 H547	H488-C545 PolarHBondContact CE1-O 3.49Å; H495-C545 WeakPolarHBondContact NE2-CB 3.24Å; H495-C545 PolarHBondContact NE2-SG 3.01Å; L496-C545 HydrophobicContact CD2-CB 4.19Å; V524-C545 HydrophobicContact CG2-CB 4.07Å; A542-C545 VanDerWaalsContact O-CB 3.27Å; A542-C545 WeakPolarHBondContact O-CB 3.3Å; A542-C545 PolarHBondContact O-N 2.93Å; A542-C545 VanDerWaalsContact O-N 3.09Å; Q543-C545 VanDerWaalsContact C-N 3.28Å; Q543-C545 PolarHBondContact O-N 3.48Å; C545-H547 PolarHBondContact O-CD2 3.25Å; C545-H547 PolarHBondContact O-N 2.78Å
546	I	96.8	Very high	96	Very high	23 Å²	23	25.4 Å²	25.4	12%	0.118	13%	0.126	C	C	.	.			trans	-72.3	21.7	177.4	69.5	166.4	0	0	0	115.4	T484 T486 P521 A522 N544 C548 P571	T484-I546 HydrophobicContact CG2-CG2 4.11Å; T486-I546 HydrophobicContact CG2-CG2 3.88Å; P521-I546 HydrophobicContact CB-CD1 4.15Å; P521-I546 HydrophobicContact CG-CD1 3.73Å; P521-I546 HydrophobicContact CG-CG1 4.1Å; A522-I546 HydrophobicContact CB-CG1 4.16Å; A522-I546 HydrophobicContact CB-CG2 4.07Å; N544-I546 PolarHBondContact O-N 2.92Å; I546-C548 HydrophobicContact CG1-CB 4.19Å; I546-C548 PolarHBondContact O-N 3.5Å; I546-P571 HydrophobicContact CB-CG 3.83Å; I546-P571 HydrophobicContact CG2-CG 4.27Å
547	H	97.4	Very high	96.4	Very high	19 Å²	19	23.4 Å²	23.4	9%	0.088	12%	0.123	C	C	.	.			trans	56.5	11.3	174.5	-65.9	163.4	0	0	0	117.7	K97 H104 H488 H495 C545 K549 W562 P565 G569 G570 P571	K97-H547 PolarHBondContact NZ-CE1 2.86Å; K97-H547 PolarHBondContact NZ-ND1 2.77Å; K97-H547 VanDerWaalsContact NZ-ND1 3.12Å; H104-H547 AromaticContact CD2-CE1 2.76Å; H104-H547 PolarHBondContact CD2-CE1 3.23Å; H104-H547 AromaticContact CD2-ND1 3.76Å; H104-H547 AromaticContact CE1-CE1 2.79Å; H104-H547 PolarHBondContact CE1-CE1 2.98Å; H104-H547 AromaticContact CE1-ND1 3.55Å; H104-H547 AromaticContact CE1-NE2 3.66Å; H104-H547 AromaticContact CG-CE1 3.5Å; H104-H547 AromaticContact ND1-CE1 3.5Å; H104-H547 PolarHBondContact ND1-CE1 3.3Å; H104-H547 AromaticContact NE2-CE1 2.11Å; H104-H547 PolarHBondContact NE2-CE1 3.03Å; H104-H547 AromaticContact NE2-ND1 3.06Å; H104-H547 PolarHBondContact NE2-ND1 3.37Å; H104-H547 AromaticContact NE2-NE2 3.52Å; H488-H547 AromaticContact NE2-NE2 3.65Å; H495-H547 AromaticContact NE2-CD2 3.87Å; C545-H547 PolarHBondContact O-CD2 3.25Å; C545-H547 PolarHBondContact O-N 2.78Å; H547-K549 WeakPolarHBondContact O-CD 3.37Å; H547-K549 WeakPolarHBondContact O-CE 3.39Å; H547-K549 WeakPolarHBondContact O-CG 2.99Å; H547-K549 PolarHBondContact O-N 3.19Å; H547-W562 HydrophobicContact CB-CZ2 4.45Å; H547-W562 AromaticContact CD2-CE2 3.93Å; H547-W562 AromaticContact CD2-CZ2 3.41Å; H547-W562 VanDerWaalsContact CD2-CZ2 3.41Å; H547-W562 WeakPolarHBondContact CD2-CZ2 3.3Å; H547-W562 AromaticContact CD2-NE1 3.85Å; H547-W562 AromaticContact CG-CZ2 3.98Å; H547-P565 WeakPolarHBondContact NE2-CG 3.31Å; H547-G569 PolarHBondContact NE2-O 2.95Å; H547-G570 WeakPolarHBondContact CE1-CA 3.13Å; H547-G570 WeakPolarHBondContact NE2-CA 3.27Å; H547-G570 PolarHBondContact NE2-N 3.33Å; H547-P571 WeakPolarHBondContact CE1-CD 3.43Å
548	C	95.5	Very high	96.6	Very high	50 Å²	50	23.6 Å²	23.6	34%	0.338	12%	0.124	S	C	.	.			trans	-65.5	-2.6	-174.6	69.4	0	0	0	0	117.1	P521 I546 T550	P521-C548 HydrophobicContact CG-CB 4.27Å; P521-C548 WeakPolarHBondContact CG-SG 3.46Å; I546-C548 HydrophobicContact CG1-CB 4.19Å; I546-C548 PolarHBondContact O-N 3.5Å; C548-T550 PolarHBondContact O-N 2.77Å; C548-T550 PolarHBondContact O-OG1 2.83Å
549	K	95.7	Very high	96.7	Very high	16 Å²	16	23.7 Å²	23.7	7%	0.07	13%	0.125	C	C	.	.			trans	56.1	2	-179.9	-44.1	-60.8	-178	60.7	0	117.4	C240 R241 H547 C551 D552 I553 W562	C240-K549 PolarHBondContact O-NZ 3.05Å; R241-K549 HydrophobicContact CB-CB 3.84Å; R241-K549 HydrophobicContact CB-CG 4.06Å; R241-K549 HydrophobicContact CG-CB 4.12Å; R241-K549 PolarHBondContact O-NZ 2.87Å; H547-K549 WeakPolarHBondContact O-CD 3.37Å; H547-K549 WeakPolarHBondContact O-CE 3.39Å; H547-K549 WeakPolarHBondContact O-CG 2.99Å; H547-K549 PolarHBondContact O-N 3.19Å; K549-C551 VanDerWaalsContact C-N 3.28Å; K549-C551 PolarHBondContact O-N 3.36Å; K549-D552 PolarHBondContact O-N 2.86Å; K549-I553 HydrophobicContact CB-CD1 4.22Å; K549-I553 WeakPolarHBondContact O-CG1 3.31Å; K549-I553 PolarHBondContact O-N 2.15Å; K549-W562 HydrophobicContact CD-CD2 3.59Å; K549-W562 HydrophobicContact CD-CE3 3.68Å; K549-W562 HydrophobicContact CD-CG 3.95Å; K549-W562 HydrophobicContact CD-CZ3 4.27Å; K549-W562 VanDerWaalsContact CE-CE3 3.44Å
550	T	97.2	Very high	96.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-35.7	-172.2	-67	0	0	0	0	112.9	I265 L320 Y519 C548 I553 K554	I265-T550 HydrophobicContact CB-CG2 4.47Å; I265-T550 HydrophobicContact CD1-CG2 4.23Å; L320-T550 HydrophobicContact CD1-CG2 4Å; L320-T550 HydrophobicContact CD2-CG2 3.8Å; Y519-T550 HydrophobicContact CD2-CG2 4.28Å; Y519-T550 HydrophobicContact CG-CG2 4.49Å; Y519-T550 WeakPolarHBondContact O-CG2 3.45Å; C548-T550 PolarHBondContact O-N 2.77Å; C548-T550 PolarHBondContact O-OG1 2.83Å; T550-I553 PolarHBondContact O-N 3.06Å; T550-K554 HydrophobicContact CG2-CB 4.3Å; T550-K554 VanDerWaalsContact O-CB 3.24Å; T550-K554 WeakPolarHBondContact O-CB 3.23Å; T550-K554 PolarHBondContact O-N 2.8Å
551	C	97.3	Very high	96.8	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.054	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-53	176.4	45.9	0	0	0	0	112.9	Y519 Y525 K549 I553 K554 D555 I560	Y519-C551 VanDerWaalsContact CE2-CA 3.46Å; Y519-C551 HydrophobicContact CE2-CB 3.69Å; Y525-C551 HydrophobicContact CE2-CB 3.78Å; Y525-C551 WeakPolarHBondContact OH-CB 3.44Å; Y525-C551 PolarHBondContact OH-SG 2.86Å; K549-C551 VanDerWaalsContact C-N 3.28Å; K549-C551 PolarHBondContact O-N 3.36Å; C551-I553 PolarHBondContact O-N 2.83Å; C551-I553 VanDerWaalsContact O-N 3.1Å; C551-K554 PolarHBondContact O-N 2.79Å; C551-D555 WeakPolarHBondContact O-CB 3.5Å; C551-D555 PolarHBondContact O-N 2.84Å; C551-I560 HydrophobicContact CB-CD1 3.99Å; C551-I560 HydrophobicContact CB-CG2 4.08Å
552	D	97.1	Very high	96.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-56	-27	175.2	-168.8	-76.8	0	0	0	112.9	R241 K246 K549 Q558 N561 W562	R241-D552 IonicContact CZ-OD1 3.62Å; R241-D552 IonicContact NE-OD1 2.7Å; R241-D552 PolarHBondContact NE-OD1 2.94Å; R241-D552 PolarHBondContact NH2-O 3.44Å; R241-D552 IonicContact NH2-OD1 3.56Å; R241-D552 PolarHBondContact NH2-OD1 2.95Å; K246-D552 VanDerWaalsContact NZ-CG 3.29Å; K246-D552 IonicContact NZ-OD1 3.81Å; K246-D552 PolarHBondContact NZ-OD1 3.32Å; K246-D552 VanDerWaalsContact NZ-OD1 3.16Å; K246-D552 IonicContact NZ-OD2 2.69Å; K246-D552 PolarHBondContact NZ-OD2 3.4Å; K549-D552 PolarHBondContact O-N 2.86Å; D552-Q558 PolarHBondContact O-NE2 3.01Å; D552-Q558 PolarHBondContact O-OE1 2.9Å; D552-N561 WeakPolarHBondContact OD2-CA 3.39Å; D552-W562 HydrophobicContact CB-CB 3.98Å; D552-W562 PolarHBondContact OD2-N 3.26Å
553	I	96.3	Very high	97	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-90.7	-36.7	-179.6	-60.3	161.3	0	0	0	112.9	R241 Y263 L320 D451 K549 T550 C551	R241-I553 HydrophobicContact CB-CD1 3.96Å; R241-I553 HydrophobicContact CB-CG1 4.23Å; R241-I553 HydrophobicContact CG-CD1 4.09Å; R241-I553 HydrophobicContact CG-CG1 3.79Å; Y263-I553 HydrophobicContact CD1-CD1 3.96Å; Y263-I553 HydrophobicContact CD2-CB 4.47Å; Y263-I553 HydrophobicContact CD2-CD1 4.27Å; Y263-I553 HydrophobicContact CD2-CG1 4.23Å; Y263-I553 HydrophobicContact CD2-CG2 3.39Å; Y263-I553 HydrophobicContact CE1-CD1 4.34Å; Y263-I553 HydrophobicContact CE2-CG1 4.33Å; Y263-I553 HydrophobicContact CE2-CG2 4.01Å; Y263-I553 HydrophobicContact CG-CD1 3.9Å; Y263-I553 HydrophobicContact CG-CG1 4.37Å; Y263-I553 HydrophobicContact CG-CG2 3.89Å; L320-I553 HydrophobicContact CB-CG2 4.29Å; L320-I553 HydrophobicContact CD1-CB 3.87Å; L320-I553 HydrophobicContact CD1-CD1 4.16Å; L320-I553 HydrophobicContact CD1-CG2 3.55Å; D451-I553 HydrophobicContact CB-CG2 4.06Å; K549-I553 HydrophobicContact CB-CD1 4.22Å; K549-I553 WeakPolarHBondContact O-CG1 3.31Å; K549-I553 PolarHBondContact O-N 2.15Å; T550-I553 PolarHBondContact O-N 3.06Å; C551-I553 PolarHBondContact O-N 2.83Å; C551-I553 VanDerWaalsContact O-N 3.1Å
554	K	97.4	Very high	97	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-108.9	-15.5	-164.4	-170.1	48.6	171.3	170	0	114.7	L320 Y322 D451 T455 Y519 T550 C551 P556	L320-K554 HydrophobicContact CB-CD 4.3Å; L320-K554 HydrophobicContact CD2-CB 4.4Å; L320-K554 HydrophobicContact CD2-CG 4.35Å; L320-K554 VanDerWaalsContact O-CD 3.25Å; L320-K554 WeakPolarHBondContact O-CD 3.28Å; L320-K554 WeakPolarHBondContact O-CE 3.29Å; L320-K554 PolarHBondContact O-NZ 2.94Å; Y322-K554 PolarHBondContact O-NZ 3.05Å; D451-K554 PolarHBondContact O-NZ 3.43Å; T455-K554 WeakPolarHBondContact OG1-CE 3.01Å; T455-K554 PolarHBondContact OG1-NZ 3.04Å; Y519-K554 HydrophobicContact CD1-CB 4.01Å; Y519-K554 HydrophobicContact CD1-CG 3.67Å; Y519-K554 HydrophobicContact CE1-CB 4.28Å; Y519-K554 HydrophobicContact CE1-CG 4.26Å; Y519-K554 HydrophobicContact CG-CB 4.26Å; Y519-K554 HydrophobicContact CG-CG 4.13Å; T550-K554 HydrophobicContact CG2-CB 4.3Å; T550-K554 VanDerWaalsContact O-CB 3.24Å; T550-K554 WeakPolarHBondContact O-CB 3.23Å; T550-K554 PolarHBondContact O-N 2.8Å; C551-K554 PolarHBondContact O-N 2.79Å; K554-P556 WeakPolarHBondContact O-CD 3.02Å; K554-P556 VanDerWaalsContact O-N 3.1Å
555	D	97.7	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.			trans	-52.2	115.3	169.7	173.4	28.7	0	0	0	110.6	N452 N508 Y519 C551 L557 Q558 N559 I560	N452-D555 WeakPolarHBondContact CB-O 3.46Å; N508-D555 PolarHBondContact ND2-OD1 3.08Å; N508-D555 VanDerWaalsContact ND2-OD1 3.13Å; Y519-D555 WeakPolarHBondContact OH-CB 3.41Å; C551-D555 WeakPolarHBondContact O-CB 3.5Å; C551-D555 PolarHBondContact O-N 2.84Å; D555-L557 PolarHBondContact O-N 2.77Å; D555-Q558 PolarHBondContact O-N 3.4Å; D555-Q558 PolarHBondContact O-NE2 2.75Å; D555-Q558 PolarHBondContact OD2-N 2.91Å; D555-N559 WeakPolarHBondContact OD2-CA 3.25Å; D555-N559 WeakPolarHBondContact OD2-CB 3.02Å; D555-N559 PolarHBondContact OD2-N 2.88Å; D555-I560 HydrophobicContact CB-CB 4.24Å; D555-I560 HydrophobicContact CB-CD1 4.1Å; D555-I560 HydrophobicContact CB-CG1 4.09Å; D555-I560 PolarHBondContact OD2-N 2.97Å
556	P	97.1	Very high	96.8	Very high	10 Å²	10	18.1 Å²	18.1	7%	0.065	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.1	-171.7	-30.3	36.7	0	0	0	114	N452 T455 Y512 P515 K554	N452-P556 PolarHBondContact ND2-O 3.43Å; T455-P556 HydrophobicContact CG2-CG 4.08Å; Y512-P556 HydrophobicContact CD1-CG 4.22Å; Y512-P556 HydrophobicContact CD2-CB 4.24Å; Y512-P556 HydrophobicContact CD2-CG 4.11Å; Y512-P556 HydrophobicContact CE1-CB 4.23Å; Y512-P556 HydrophobicContact CE1-CG 4.3Å; Y512-P556 HydrophobicContact CE2-CB 3.82Å; Y512-P556 HydrophobicContact CE2-CG 4.18Å; Y512-P556 HydrophobicContact CG-CG 4.13Å; P515-P556 HydrophobicContact CG-CG 4.13Å; K554-P556 WeakPolarHBondContact O-CD 3.02Å; K554-P556 VanDerWaalsContact O-N 3.1Å
557	L	96.7	Very high	96.7	Very high	83 Å²	83	18.3 Å²	18.3	44%	0.435	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.3	-174.6	-63.7	172.1	0	0	0	114.4	V503 T507 D555 N559	V503-L557 HydrophobicContact CG1-CB 4.49Å; V503-L557 HydrophobicContact CG1-CD1 3.5Å; T507-L557 HydrophobicContact CG2-CD1 3.75Å; D555-L557 PolarHBondContact O-N 2.77Å; L557-N559 PolarHBondContact O-N 2.18Å
558	Q	96.2	Very high	96.5	Very high	58 Å²	58	18.6 Å²	18.6	27%	0.271	11%	0.113	S	C	.	.	S	Bend	trans	54.7	34.8	-172	-61.4	-75.6	-97.8	0	0	113.2	N452 D552 D555	N452-Q558 HydrophobicContact CB-CG 4.45Å; D552-Q558 PolarHBondContact O-NE2 3.01Å; D552-Q558 PolarHBondContact O-OE1 2.9Å; D555-Q558 PolarHBondContact O-N 3.4Å; D555-Q558 PolarHBondContact O-NE2 2.75Å; D555-Q558 PolarHBondContact OD2-N 2.91Å
559	N	97.6	Very high	96.4	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.053	10%	0.102	C	C	.	.			trans	-74.5	-35.4	170.1	-176.4	42.6	0	0	0	112	L498 L499 D500 V503 D555 L557 N561	L498-N559 WeakPolarHBondContact CA-O 3.4Å; L499-N559 WeakPolarHBondContact CA-OD1 3.44Å; L499-N559 WeakPolarHBondContact CB-OD1 3.24Å; L499-N559 PolarHBondContact N-O 3.41Å; L499-N559 PolarHBondContact N-OD1 3.4Å; D500-N559 PolarHBondContact N-OD1 3.43Å; D500-N559 PolarHBondContact O-ND2 3.3Å; D500-N559 PolarHBondContact O-OD1 3.37Å; V503-N559 HydrophobicContact CB-CB 4.46Å; V503-N559 HydrophobicContact CG1-CB 3.93Å; D555-N559 WeakPolarHBondContact OD2-CA 3.25Å; D555-N559 WeakPolarHBondContact OD2-CB 3.02Å; D555-N559 PolarHBondContact OD2-N 2.88Å; L557-N559 PolarHBondContact O-N 2.18Å; N559-N561 PolarHBondContact O-N 3.19Å
560	I	97.9	Very high	96.5	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125	176.1	-55.7	179.8	0	0	0	110.5	L498 Y519 Y525 C551 D555	L498-I560 HydrophobicContact CD2-CG1 3.76Å; Y519-I560 VanDerWaalsContact OH-CD1 3.26Å; Y519-I560 WeakPolarHBondContact OH-CD1 3.32Å; Y525-I560 HydrophobicContact CE1-CD1 3.94Å; C551-I560 HydrophobicContact CB-CD1 3.99Å; C551-I560 HydrophobicContact CB-CG2 4.08Å; D555-I560 HydrophobicContact CB-CB 4.24Å; D555-I560 HydrophobicContact CB-CD1 4.1Å; D555-I560 HydrophobicContact CB-CG1 4.09Å; D555-I560 PolarHBondContact OD2-N 2.97Å
561	N	97.3	Very high	96.4	Very high	39 Å²	39	16.2 Å²	16.2	21%	0.209	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.3	171	176.7	70	0	0	0	110	K246 T497 D552 N559 V563	K246-N561 PolarHBondContact NZ-OD1 2.92Å; T497-N561 PolarHBondContact N-O 3.23Å; T497-N561 PolarHBondContact O-N 2.2Å; T497-N561 WeakPolarHBondContact OG1-CB 3.42Å; T497-N561 PolarHBondContact OG1-ND2 3.19Å; T497-N561 PolarHBondContact OG1-O 2.91Å; D552-N561 WeakPolarHBondContact OD2-CA 3.39Å; N559-N561 PolarHBondContact O-N 3.19Å; N561-V563 WeakPolarHBondContact ND2-CG1 3.39Å
562	W	98.1	Very high	96.4	Very high	1 Å²	1	18 Å²	18	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.7	176	-174.1	94.1	0	0	0	110	K97 H243 H495 L496 H547 K549 D552 T564	K97-W562 HydrophobicContact CD-CH2 4.12Å; H243-W562 HydrophobicContact CB-CE3 3.96Å; H243-W562 HydrophobicContact CB-CZ3 4.17Å; H243-W562 WeakPolarHBondContact CB-O 3.44Å; H243-W562 AromaticContact CG-CZ3 3.98Å; H495-W562 AromaticContact CD2-CD1 3.79Å; H495-W562 AromaticContact CD2-CE2 3.79Å; H495-W562 AromaticContact CD2-NE1 3.22Å; H495-W562 PolarHBondContact CD2-NE1 2.89Å; H495-W562 AromaticContact NE2-NE1 3.22Å; H495-W562 PolarHBondContact NE2-NE1 2.85Å; L496-W562 VanDerWaalsContact CD1-CD1 3.46Å; L496-W562 HydrophobicContact CD1-CG 4.47Å; H547-W562 HydrophobicContact CB-CZ2 4.45Å; H547-W562 AromaticContact CD2-CE2 3.93Å; H547-W562 AromaticContact CD2-CZ2 3.41Å; H547-W562 VanDerWaalsContact CD2-CZ2 3.41Å; H547-W562 WeakPolarHBondContact CD2-CZ2 3.3Å; H547-W562 AromaticContact CD2-NE1 3.85Å; H547-W562 AromaticContact CG-CZ2 3.98Å; K549-W562 HydrophobicContact CD-CD2 3.59Å; K549-W562 HydrophobicContact CD-CE3 3.68Å; K549-W562 HydrophobicContact CD-CG 3.95Å; K549-W562 HydrophobicContact CD-CZ3 4.27Å; K549-W562 VanDerWaalsContact CE-CE3 3.44Å; D552-W562 HydrophobicContact CB-CB 3.98Å; D552-W562 PolarHBondContact OD2-N 3.26Å; W562-T564 HydrophobicContact CH2-CG2 3.85Å; W562-T564 HydrophobicContact CZ3-CG2 4.04Å
563	V	97.1	Very high	96.3	Very high	10 Å²	10	18.6 Å²	18.6	6%	0.061	12%	0.118	C	C	.	.			trans	-121.1	171.8	170.7	-59.2	0	0	0	0	110.2	T39 H495 T497 N561	T39-V563 HydrophobicContact CG2-CG1 4.48Å; H495-V563 HydrophobicContact CB-CG2 4.04Å; H495-V563 WeakPolarHBondContact CB-O 3.21Å; H495-V563 PolarHBondContact CD2-O 3.21Å; H495-V563 VanDerWaalsContact CD2-O 3.29Å; H495-V563 WeakPolarHBondContact O-CG2 3.17Å; H495-V563 PolarHBondContact O-N 2.99Å; T497-V563 HydrophobicContact CG2-CG2 3.98Å; N561-V563 WeakPolarHBondContact ND2-CG1 3.39Å
564	T	95.6	Very high	96.3	Very high	3 Å²	3	23 Å²	23	2%	0.018	14%	0.142	C	C	.	.			trans	-72.1	134.9	175	48.4	0	0	0	0	112	K97 A191 A193 H243 W562	K97-T564 HydrophobicContact CD-CG2 3.71Å; K97-T564 HydrophobicContact CG-CG2 4.42Å; A191-T564 HydrophobicContact CB-CG2 3.87Å; A193-T564 WeakPolarHBondContact CB-OG1 3.39Å; H243-T564 WeakPolarHBondContact CE1-CG2 3.15Å; W562-T564 HydrophobicContact CH2-CG2 3.85Å; W562-T564 HydrophobicContact CZ3-CG2 4.04Å
565	P	96.7	Very high	96.1	Very high	5 Å²	5	23 Å²	23	3%	0.032	14%	0.143	C	C	.	.			trans	-66.9	-177.8	160.6	30	-34.2	0	0	0	111.7	H495 H547 G567	H495-P565 HydrophobicContact CB-CB 4.19Å; H547-P565 WeakPolarHBondContact NE2-CG 3.31Å; P565-G567 PolarHBondContact O-N 2.86Å
566	E	94.9	Very high	95.8	Very high	32 Å²	32	24.1 Å²	24.1	15%	0.15	15%	0.148	C	C	.	.	S	Bend	trans	-49.4	135	158	-66.5	-178.7	160.4	0	0	110	V211 G212 I213 K220 G569	V211-E566 HydrophobicContact CG1-CG 4.43Å; G212-E566 PolarHBondContact N-OE1 2.69Å; I213-E566 PolarHBondContact N-OE1 2.72Å; K220-E566 IonicContact NZ-OE1 3.25Å; E566-G569 PolarHBondContact O-N 2.99Å
567	G	93	Very high	95.8	Very high	26 Å²	26	24.8 Å²	24.8	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	155.6	-174	0	0	0	0	0	113.9	G189 N209 P565 G569	G189-G567 CarbonylContact O-C 3.55Å; G189-G567 WeakPolarHBondContact O-CA 3.26Å; N209-G567 PolarHBondContact ND2-N 3.33Å; N209-G567 VanDerWaalsContact ND2-N 3.18Å; N209-G567 PolarHBondContact OD1-N 2.56Å; P565-G567 PolarHBondContact O-N 2.86Å; G567-G569 PolarHBondContact O-N 2.84Å
568	G	93.5	Very high	95.7	Very high	26 Å²	26	21.7 Å²	21.7	27%	0.268	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	81.2	-22.7	-172	0	0	0	0	0	114.2	K97 G189	K97-G568 VanDerWaalsContact O-CA 3.29Å; K97-G568 WeakPolarHBondContact O-CA 3.24Å; K97-G568 PolarHBondContact O-N 2.72Å; G189-G568 PolarHBondContact O-N 3.26Å
569	G	94.2	Very high	95.7	Very high	10 Å²	10	19.7 Å²	19.7	10%	0.103	13%	0.13	C	C	.	.			trans	-68.7	156.9	172.3	0	0	0	0	0	113.6	H104 N487 H547 E566 G567	H104-G569 PolarHBondContact CE1-O 3.34Å; H104-G569 VanDerWaalsContact CE1-O 3.31Å; H104-G569 PolarHBondContact NE2-O 3.42Å; N487-G569 WeakPolarHBondContact O-CA 3.46Å; H547-G569 PolarHBondContact NE2-O 2.95Å; E566-G569 PolarHBondContact O-N 2.99Å; G567-G569 PolarHBondContact O-N 2.84Å
570	G	96.8	Very high	95.6	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	113.9	-166.4	-176.7	0	0	0	0	0	113.3	T486 N487 H488 H547	T486-G570 WeakPolarHBondContact CA-O 3.16Å; T486-G570 VanDerWaalsContact OG1-C 3.26Å; N487-G570 PolarHBondContact N-O 2.76Å; N487-G570 PolarHBondContact O-N 2.97Å; H488-G570 PolarHBondContact NE2-N 2.6Å; H547-G570 WeakPolarHBondContact CE1-CA 3.13Å; H547-G570 WeakPolarHBondContact NE2-CA 3.27Å; H547-G570 PolarHBondContact NE2-N 3.33Å
571	P	96.5	Very high	95.5	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.019	14%	0.141	C	C	.	.			trans	-56	150.1	175.6	-29.8	35	0	0	0	115.2	I546 H547 Y573	I546-P571 HydrophobicContact CB-CG 3.83Å; I546-P571 HydrophobicContact CG2-CG 4.27Å; H547-P571 WeakPolarHBondContact CE1-CD 3.43Å; P571-Y573 HydrophobicContact CB-CD1 4.06Å; P571-Y573 HydrophobicContact CB-CD2 3.71Å; P571-Y573 HydrophobicContact CB-CE1 3.81Å; P571-Y573 HydrophobicContact CB-CE2 3.41Å; P571-Y573 VanDerWaalsContact CB-CE2 3.41Å; P571-Y573 HydrophobicContact CB-CG 4.01Å; P571-Y573 VanDerWaalsContact CB-CZ 3.46Å; P571-Y573 HydrophobicContact CG-CE1 4.4Å; P571-Y573 HydrophobicContact CG-CE2 3.76Å
572	A	96.3	Very high	95.3	Very high	44 Å²	44	20.2 Å²	20.2	36%	0.364	14%	0.137	S	C	.	.			trans	-115.8	61.5	171.4	0	0	0	0	0	109.7	Y100 T484 D574	Y100-A572 PolarHBondContact OH-O 3.47Å; T484-A572 PolarHBondContact O-N 3.22Å; A572-D574 PolarHBondContact O-N 3.11Å
573	Y	96.1	Very high	95.1	Very high	16 Å²	16	21.6 Å²	21.6	6%	0.063	15%	0.146	C	C	.	.			trans	-73.4	121.6	-177.1	-60.7	-48.9	0	0	0	113.1	Y100 G103 L106 T484 P571 M576	Y100-Y573 VanDerWaalsContact OH-C 3.31Å; Y100-Y573 PolarHBondContact OH-N 3.25Å; Y100-Y573 PolarHBondContact OH-O 3.24Å; Y100-Y573 VanDerWaalsContact OH-O 3.1Å; G103-Y573 VanDerWaalsContact O-CB 3.32Å; G103-Y573 WeakPolarHBondContact O-CB 3.3Å; G103-Y573 VanDerWaalsContact O-CD2 3.28Å; G103-Y573 WeakPolarHBondContact O-CD2 3.43Å; G103-Y573 PolarHBondContact O-N 2.87Å; L106-Y573 HydrophobicContact CB-CD2 4.26Å; L106-Y573 HydrophobicContact CB-CE2 3.88Å; L106-Y573 HydrophobicContact CD1-CE1 4.23Å; L106-Y573 HydrophobicContact CD1-CE2 4.01Å; T484-Y573 HydrophobicContact CG2-CE1 4Å; P571-Y573 HydrophobicContact CB-CD1 4.06Å; P571-Y573 HydrophobicContact CB-CD2 3.71Å; P571-Y573 HydrophobicContact CB-CE1 3.81Å; P571-Y573 HydrophobicContact CB-CE2 3.41Å; P571-Y573 VanDerWaalsContact CB-CE2 3.41Å; P571-Y573 HydrophobicContact CB-CG 4.01Å; P571-Y573 VanDerWaalsContact CB-CZ 3.46Å; P571-Y573 HydrophobicContact CG-CE1 4.4Å; P571-Y573 HydrophobicContact CG-CE2 3.76Å; Y573-M576 HydrophobicContact CD1-CB 4.4Å; Y573-M576 HydrophobicContact CD1-CG 3.99Å; Y573-M576 HydrophobicContact CG-CB 4.06Å; Y573-M576 HydrophobicContact CG-CG 4.05Å
574	D	95.2	Very high	95	Very high	98 Å²	98	22.5 Å²	22.5	52%	0.524	15%	0.153	S	C	.	.	S	Bend	trans	-86.8	121.7	163.7	-179.8	53.3	0	0	0	111	R167 H170 A572 M576	R167-D574 IonicContact CZ-OD2 3.16Å; R167-D574 IonicContact NH1-OD2 2.66Å; R167-D574 VanDerWaalsContact NH2-C 3.31Å; R167-D574 PolarHBondContact NH2-O 2.97Å; R167-D574 IonicContact NH2-OD2 2.73Å; R167-D574 PolarHBondContact NH2-OD2 3.25Å; H170-D574 IonicContact CD2-OD1 2.75Å; H170-D574 IonicContact NE2-OD1 3.28Å; H170-D574 PolarHBondContact NE2-OD1 2.76Å; H170-D574 IonicContact NE2-OD2 3.72Å; A572-D574 PolarHBondContact O-N 3.11Å; D574-M576 PolarHBondContact O-N 3.33Å
575	G	92.9	Very high	94.9	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	16%	0.164	C	C	.	.			trans	50.9	32.4	172.2	0	0	0	0	0	116.5	R167 H170	R167-G575 WeakPolarHBondContact CB-O 3.49Å; R167-G575 VanDerWaalsContact CG-O 3.25Å; R167-G575 WeakPolarHBondContact CG-O 3.48Å; R167-G575 PolarHBondContact NE-O 2.87Å; H170-G575 WeakPolarHBondContact CD2-CA 3.37Å; H170-G575 WeakPolarHBondContact NE2-CA 3.01Å
576	M	93.3	Very high	94.8	Very high	22 Å²	22	25.8 Å²	25.8	11%	0.108	18%	0.176	C	C	.	.			trans	-85.5	0	-179.9	-66.8	-67.7	-98.6	0	0	113.8	T105 L106 S107 L168 G169 K268 L270 Y573 D574	T105-M576 CarbonylContact O-C 3.19Å; T105-M576 WeakPolarHBondContact O-CB 3.46Å; L106-M576 WeakPolarHBondContact CA-OXT 3.22Å; S107-M576 PolarHBondContact N-OXT 2.98Å; L168-M576 CarbonylContact C-O 3.43Å; L168-M576 WeakPolarHBondContact CA-O 3.36Å; L168-M576 WeakPolarHBondContact CB-O 3.46Å; L168-M576 PolarHBondContact N-O 2.66Å; G169-M576 PolarHBondContact N-O 3.06Å; K268-M576 HydrophobicContact CB-CE 4.29Å; K268-M576 HydrophobicContact CD-CB 4.5Å; K268-M576 HydrophobicContact CD-CE 3.96Å; K268-M576 HydrophobicContact CD-SD 4.1Å; K268-M576 VanDerWaalsContact CE-SD 3.59Å; K268-M576 HydrophobicContact CG-CE 3.78Å; K268-M576 HydrophobicContact CG-SD 4.46Å; K268-M576 PolarHBondContact NZ-OXT 2.92Å; L270-M576 HydrophobicContact CB-CE 4.42Å; L270-M576 HydrophobicContact CB-SD 3.83Å; L270-M576 HydrophobicContact CD2-SD 4.38Å; Y573-M576 HydrophobicContact CD1-CB 4.4Å; Y573-M576 HydrophobicContact CD1-CG 3.99Å; Y573-M576 HydrophobicContact CG-CB 4.06Å; Y573-M576 HydrophobicContact CG-CG 4.05Å; D574-M576 PolarHBondContact O-N 3.33Å

Retrieved 576 of 576 residues in 862.6 ms (Link to these results)

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