A0A093HZY3_STRCA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A093HZY3, Species STRCA (Struthio camelus australis), Gene n/a, Length 476 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	37.1	Very low	38.2	Very low	239 Å²	239	142.8 Å²	142.8	100%	1.177	81%	0.809	S	S	*	*				0	118.5	0	-76.5	165.8	166.3	0	0	107.6
2	H	33.3	Very low	39.1	Very low	193 Å²	193	138 Å²	138	89%	0.894	79%	0.791	S	S	*	*			trans	-84.2	114.9	177.5	-73.4	-81.6	0	0	0	109.5	S4	H2-S4 PolarHBondContact O-N 3.15Å
3	S	33.1	Very low	40.6	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	80%	0.797	S	S	*	*			trans	-79.6	97.6	170.9	-61.1	0	0	0	0	109.2	T5	S3-T5 PolarHBondContact O-N 3.11Å
4	S	34.4	Very low	42.8	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	75%	0.754	S	S	*	*			trans	-68.7	105.8	174.5	35.2	0	0	0	0	110.9	H2	H2-S4 PolarHBondContact O-N 3.15Å
5	T	35.7	Very low	45.6	Very low	119 Å²	119	128.2 Å²	128.2	73%	0.73	72%	0.721	S	S	*	*			trans	-67.7	126.9	164.3	43.7	0	0	0	0	109.3	S3 I7	S3-T5 PolarHBondContact O-N 3.11Å; T5-I7 PolarHBondContact O-N 3.15Å
6	P	39.6	Very low	48.4	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	71%	0.714	S	S	*	*			trans	-72.6	113.2	178	27.6	-32.3	0	0	0	110.2	S8	P6-S8 VanDerWaalsContact C-N 3.32Å; P6-S8 PolarHBondContact O-N 2.68Å
7	I	41.9	Very low	50.9	Low	153 Å²	153	119.4 Å²	119.4	79%	0.785	68%	0.679	S	S	*	*			trans	-74.9	87.6	168.9	-59.1	174.2	0	0	0	107.9	T5 L10	T5-I7 PolarHBondContact O-N 3.15Å; I7-L10 HydrophobicContact CG2-CD1 4.44Å
8	S	40	Very low	53.3	Low	101 Å²	101	112.8 Å²	112.8	71%	0.706	64%	0.641	S	S	*	*			trans	-132.3	49.1	-177.6	61.5	0	0	0	0	112.9	P6	P6-S8 VanDerWaalsContact C-N 3.32Å; P6-S8 PolarHBondContact O-N 2.68Å
9	S	42.9	Very low	55.5	Low	114 Å²	114	113.5 Å²	113.5	80%	0.797	64%	0.636	S	S	*	*			trans	-158	39.5	178.5	-166.8	0	0	0	0	116.3
10	L	39.8	Very low	57.4	Low	139 Å²	139	113.8 Å²	113.8	73%	0.728	63%	0.627	S	S	*	*	S	Bend	trans	-123.6	-2.1	-177.2	-80	175.8	0	0	0	117.8	I7	I7-L10 HydrophobicContact CG2-CD1 4.44Å
11	F	42.7	Very low	59.3	Low	173 Å²	173	108.3 Å²	108.3	76%	0.759	60%	0.597	S	S	*	*			trans	-133.1	87	175.5	-64.6	-73.2	0	0	0	112.2	F13	F11-F13 HydrophobicContact CB-CD2 4.25Å; F11-F13 HydrophobicContact CB-CE2 3.91Å; F11-F13 HydrophobicContact CB-CZ 4.43Å; F11-F13 WeakPolarHBondContact O-CD2 3.35Å; F11-F13 PolarHBondContact O-N 3.42Å
12	S	48.3	Very low	62.1	Low	85 Å²	85	98.8 Å²	98.8	59%	0.594	55%	0.55	S	S	*	*			trans	-71.6	109.6	158.7	-155	0	0	0	0	107.9	T14	S12-T14 PolarHBondContact O-N 2.97Å
13	F	59.2	Low	65	Low	197 Å²	197	92.8 Å²	92.8	86%	0.864	54%	0.541	S	S	*	.			trans	-74.9	54.4	-177.5	-81.1	-89.7	0	0	0	112.4	F11 S15	F11-F13 HydrophobicContact CB-CD2 4.25Å; F11-F13 HydrophobicContact CB-CE2 3.91Å; F11-F13 HydrophobicContact CB-CZ 4.43Å; F11-F13 WeakPolarHBondContact O-CD2 3.35Å; F11-F13 PolarHBondContact O-N 3.42Å; F13-S15 PolarHBondContact O-N 3.3Å
14	T	70.7	Confident	68	Low	32 Å²	32	90.6 Å²	90.6	20%	0.196	51%	0.514	C	S	.	.			trans	-69.9	126.5	169.2	39.3	0	0	0	0	110.2	S12 V18 K19 E35	S12-T14 PolarHBondContact O-N 2.97Å; T14-V18 HydrophobicContact CG2-CG1 4.36Å; T14-K19 WeakPolarHBondContact OG1-CE 3.4Å; T14-K19 WeakPolarHBondContact OG1-CG 3.26Å; T14-E35 HydrophobicContact CG2-CG 3.89Å; T14-E35 WeakPolarHBondContact CG2-OE1 3.32Å
15	S	85.8	Confident	70.8	Confident	38 Å²	38	87 Å²	87	27%	0.266	49%	0.485	S	S	.	.			trans	-57.3	143.9	178.2	-171.6	0	0	0	0	110.4	F13 A17 V18 K19	F13-S15 PolarHBondContact O-N 3.3Å; S15-A17 PolarHBondContact O-N 3.31Å; S15-A17 VanDerWaalsContact O-N 3.08Å; S15-V18 WeakPolarHBondContact O-CA 3.05Å; S15-V18 WeakPolarHBondContact O-CB 3.27Å; S15-V18 PolarHBondContact O-N 2.73Å; S15-K19 PolarHBondContact O-N 2.79Å
16	P	90.1	Very high	73.6	Confident	94 Å²	94	85.6 Å²	85.6	61%	0.61	47%	0.47	S	S	*	.	H	α-helix	trans	-52.6	-34.7	179.9	-30.2	36.3	0	0	0	114.4	K19 R20	P16-K19 PolarHBondContact O-N 3.48Å; P16-R20 WeakPolarHBondContact O-CB 3.47Å; P16-R20 PolarHBondContact O-N 3.04Å
17	A	91.5	Very high	76	Confident	13 Å²	13	82.4 Å²	82.4	11%	0.107	46%	0.457	C	S	.	.	H	α-helix	trans	-67.6	-34.5	174.2	0	0	0	0	0	113.2	S15 R20 L21 V42 M52	S15-A17 PolarHBondContact O-N 3.31Å; S15-A17 VanDerWaalsContact O-N 3.08Å; A17-R20 PolarHBondContact O-N 3.44Å; A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 WeakPolarHBondContact O-CG 3.19Å; A17-L21 PolarHBondContact O-N 3.32Å; A17-V42 HydrophobicContact CB-CG1 4.2Å; A17-V42 HydrophobicContact CB-CG2 4.41Å; A17-M52 HydrophobicContact CB-SD 4.49Å
18	V	94.3	Very high	77.9	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-68.4	-46	175	175.8	0	0	0	0	110	T14 S15 R20 L21 L22 V38 D39 V42	T14-V18 HydrophobicContact CG2-CG1 4.36Å; S15-V18 WeakPolarHBondContact O-CA 3.05Å; S15-V18 WeakPolarHBondContact O-CB 3.27Å; S15-V18 PolarHBondContact O-N 2.73Å; V18-R20 VanDerWaalsContact C-N 3.31Å; V18-R20 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-L22 HydrophobicContact CG1-CD1 3.82Å; V18-L22 HydrophobicContact CG1-CG 4.36Å; V18-L22 WeakPolarHBondContact O-CB 3.08Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 3.07Å; V18-V38 HydrophobicContact CB-CG1 4.39Å; V18-V38 HydrophobicContact CG1-CB 4.4Å; V18-V38 HydrophobicContact CG1-CG1 4.02Å; V18-V38 HydrophobicContact CG2-CG1 4.47Å; V18-D39 HydrophobicContact CG1-CB 4.48Å; V18-D39 HydrophobicContact CG2-CB 4.05Å; V18-V42 HydrophobicContact CG2-CB 4.16Å; V18-V42 HydrophobicContact CG2-CG1 4.46Å; V18-V42 HydrophobicContact CG2-CG2 3.89Å
19	K	93.8	Very high	79.5	Confident	127 Å²	127	85.4 Å²	85.4	55%	0.552	46%	0.461	S	S	*	.	H	α-helix	trans	-57.1	-44.2	174.2	-67.4	-170	178	-173.2	0	111.9	T14 S15 P16 L22 G23	T14-K19 WeakPolarHBondContact OG1-CE 3.4Å; T14-K19 WeakPolarHBondContact OG1-CG 3.26Å; S15-K19 PolarHBondContact O-N 2.79Å; P16-K19 PolarHBondContact O-N 3.48Å; K19-L22 PolarHBondContact O-N 3.36Å; K19-G23 PolarHBondContact O-N 3.37Å
20	R	94.8	Very high	81.5	Confident	118 Å²	118	83 Å²	83	45%	0.445	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-50.1	177.8	-158.8	-176.6	-53.2	117.6	-5.4	111.9	P16 A17 V18 L22 G23 W24 E56	P16-R20 WeakPolarHBondContact O-CB 3.47Å; P16-R20 PolarHBondContact O-N 3.04Å; A17-R20 PolarHBondContact O-N 3.44Å; V18-R20 VanDerWaalsContact C-N 3.31Å; V18-R20 PolarHBondContact O-N 3.43Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 3.44Å; R20-G23 PolarHBondContact O-N 3.4Å; R20-W24 HydrophobicContact CG-CH2 4.04Å; R20-W24 HydrophobicContact CG-CZ3 4.04Å; R20-W24 VanDerWaalsContact O-CE3 3.27Å; R20-W24 WeakPolarHBondContact O-CZ3 3.35Å; R20-E56 WeakPolarHBondContact CD-OE1 3.42Å; R20-E56 IonicContact CZ-OE1 2.98Å; R20-E56 IonicContact NE-OE1 3.38Å; R20-E56 IonicContact NH1-OE1 3.94Å; R20-E56 PolarHBondContact NH1-OE1 3.4Å; R20-E56 IonicContact NH1-OE2 2.74Å; R20-E56 PolarHBondContact NH1-OE2 3.5Å
21	L	96.2	Very high	83.9	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-65.2	-28.4	179.6	-74.1	173.7	0	0	0	113.8	A17 V18 G23 W24 V38 V42 L55 E56 L59 W96	A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 WeakPolarHBondContact O-CG 3.19Å; A17-L21 PolarHBondContact O-N 3.32Å; V18-L21 PolarHBondContact O-N 3.42Å; L21-G23 VanDerWaalsContact C-N 3.29Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 HydrophobicContact CD2-CZ3 4.03Å; L21-V38 HydrophobicContact CB-CG1 3.54Å; L21-V38 HydrophobicContact CD1-CG1 4.01Å; L21-V38 HydrophobicContact CG-CG1 4.46Å; L21-V42 HydrophobicContact CD1-CG2 3.54Å; L21-L55 HydrophobicContact CD1-CD2 4.15Å; L21-L55 HydrophobicContact CD2-CD2 3.81Å; L21-L55 HydrophobicContact CD2-CG 4.02Å; L21-E56 HydrophobicContact CD2-CG 4.03Å; L21-L59 HydrophobicContact CD2-CD1 3.61Å; L21-W96 HydrophobicContact CB-CZ2 4.3Å; L21-W96 HydrophobicContact CD2-CZ2 4.39Å; L21-W96 PolarHBondContact O-NE1 3.01Å
22	L	95.8	Very high	86.2	Confident	38 Å²	38	82.3 Å²	82.3	20%	0.199	43%	0.43	C	S	.	.	H	α-helix	trans	-72.7	-20.3	171.1	-71.4	168.9	0	0	0	112.9	V18 K19 R20 W24 K25 A34 E35 V38	V18-L22 HydrophobicContact CG1-CD1 3.82Å; V18-L22 HydrophobicContact CG1-CG 4.36Å; V18-L22 WeakPolarHBondContact O-CB 3.08Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 3.07Å; K19-L22 PolarHBondContact O-N 3.36Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 3.44Å; L22-W24 PolarHBondContact O-N 2.9Å; L22-K25 HydrophobicContact CD2-CD 4.37Å; L22-K25 WeakPolarHBondContact O-CB 3.28Å; L22-K25 PolarHBondContact O-N 2.8Å; L22-A34 HydrophobicContact CD2-CB 4.23Å; L22-E35 HydrophobicContact CD1-CB 4.25Å; L22-E35 HydrophobicContact CD1-CG 4.24Å; L22-V38 HydrophobicContact CD2-CB 4.32Å; L22-V38 HydrophobicContact CD2-CG2 3.91Å; L22-V38 HydrophobicContact CG-CB 4.5Å; L22-V38 HydrophobicContact CG-CG1 4.5Å; L22-V38 HydrophobicContact CG-CG2 4.44Å
23	G	94.3	Very high	88.4	Confident	67 Å²	67	79.9 Å²	79.9	69%	0.691	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.3	175	0	0	0	0	0	114.7	K19 R20 L21	K19-G23 PolarHBondContact O-N 3.37Å; R20-G23 PolarHBondContact O-N 3.4Å; L21-G23 VanDerWaalsContact C-N 3.29Å
24	W	95.5	Very high	90.1	Very high	71 Å²	71	70.6 Å²	70.6	27%	0.269	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.9	171.2	-62.6	-77.8	0	0	0	113.4	R20 L21 L22 Q26 E56 L59	R20-W24 HydrophobicContact CG-CH2 4.04Å; R20-W24 HydrophobicContact CG-CZ3 4.04Å; R20-W24 VanDerWaalsContact O-CE3 3.27Å; R20-W24 WeakPolarHBondContact O-CZ3 3.35Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 HydrophobicContact CD2-CZ3 4.03Å; L22-W24 PolarHBondContact O-N 2.9Å; W24-Q26 PolarHBondContact O-NE2 2.76Å; W24-Q26 VanDerWaalsContact O-NE2 3.16Å; W24-E56 HydrophobicContact CH2-CB 4.24Å; W24-E56 HydrophobicContact CH2-CG 4.19Å; W24-E56 HydrophobicContact CZ3-CG 4.19Å; W24-L59 HydrophobicContact CB-CB 4.38Å; W24-L59 HydrophobicContact CB-CD1 4.46Å; W24-L59 HydrophobicContact CD2-CB 3.67Å; W24-L59 HydrophobicContact CD2-CD1 4.22Å; W24-L59 HydrophobicContact CE3-CB 3.95Å; W24-L59 HydrophobicContact CE3-CD1 3.76Å; W24-L59 HydrophobicContact CG-CB 3.86Å; W24-L59 HydrophobicContact CZ3-CB 4.49Å; W24-L59 HydrophobicContact CZ3-CD1 4.36Å; W24-L59 PolarHBondContact NE1-O 3.03Å
25	K	94.9	Very high	91.2	Very high	39 Å²	39	71.7 Å²	71.7	17%	0.17	37%	0.371	C	S	.	.			trans	-59	140.7	-180	-170.9	-174.8	91.3	77.9	0	109.9	L22 G27 E29 A34 V95	L22-K25 HydrophobicContact CD2-CD 4.37Å; L22-K25 WeakPolarHBondContact O-CB 3.28Å; L22-K25 PolarHBondContact O-N 2.8Å; K25-G27 VanDerWaalsContact CE-O 3.26Å; K25-G27 WeakPolarHBondContact CE-O 3.5Å; K25-G27 PolarHBondContact NZ-O 2.89Å; K25-E29 PolarHBondContact NZ-O 2.98Å; K25-E29 VanDerWaalsContact NZ-O 3.13Å; K25-A34 HydrophobicContact CD-CB 3.56Å; K25-A34 HydrophobicContact CG-CB 4.39Å; K25-V95 CarbonylContact C-O 3.55Å; K25-V95 WeakPolarHBondContact CA-O 3.49Å; K25-V95 HydrophobicContact CG-CG1 4.28Å
26	Q	94.2	Very high	91.7	Very high	90 Å²	90	74.9 Å²	74.9	42%	0.421	38%	0.38	S	S	.	.			trans	-99.7	144	175.2	-60.6	-57.9	-51.1	0	0	111.3	W24 V95 W96 P99	W24-Q26 PolarHBondContact O-NE2 2.76Å; W24-Q26 VanDerWaalsContact O-NE2 3.16Å; Q26-V95 PolarHBondContact N-O 3.13Å; Q26-W96 VanDerWaalsContact CG-O 3.26Å; Q26-W96 WeakPolarHBondContact CG-O 3.43Å; Q26-P99 VanDerWaalsContact C-CG 3.45Å; Q26-P99 HydrophobicContact CB-CG 3.45Å; Q26-P99 VanDerWaalsContact CB-CG 3.45Å; Q26-P99 WeakPolarHBondContact O-CG 3.19Å
27	G	89.3	Confident	91.9	Very high	42 Å²	42	70.4 Å²	70.4	43%	0.433	35%	0.351	S	S	.	.	S	Bend	trans	62.5	171.9	-173.7	0	0	0	0	0	113.7	K25	K25-G27 VanDerWaalsContact CE-O 3.26Å; K25-G27 WeakPolarHBondContact CE-O 3.5Å; K25-G27 PolarHBondContact NZ-O 2.89Å
28	D	81.4	Confident	92.2	Very high	153 Å²	153	69.8 Å²	69.8	82%	0.818	35%	0.345	S	S	*	.	S	Bend	trans	-104	-20	178.5	-62.3	-44.8	0	0	0	113.1
29	E	75.3	Confident	92.2	Very high	163 Å²	163	72.2 Å²	72.2	76%	0.762	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	151.3	179.5	-59.3	-169.2	160.9	0	0	112.9	K25 E31	K25-E29 PolarHBondContact NZ-O 2.98Å; K25-E29 VanDerWaalsContact NZ-O 3.13Å; E29-E31 VanDerWaalsContact C-N 3.3Å; E29-E31 PolarHBondContact O-N 3.14Å
30	E	84.8	Confident	92.2	Very high	64 Å²	64	67.6 Å²	67.6	30%	0.299	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	28.9	173.9	-41.9	-154.3	106.8	0	0	116.1	K32 W33 A34 R84 R94	E30-K32 PolarHBondContact O-N 3.24Å; E30-W33 HydrophobicContact CB-CB 4.21Å; E30-W33 HydrophobicContact CB-CE3 4.49Å; E30-W33 WeakPolarHBondContact O-CA 3.45Å; E30-W33 WeakPolarHBondContact O-CB 3.44Å; E30-W33 PolarHBondContact O-N 3.24Å; E30-A34 PolarHBondContact O-N 3.43Å; E30-R84 IonicContact OE1-CZ 3.25Å; E30-R84 IonicContact OE1-NH1 2.75Å; E30-R84 PolarHBondContact OE1-NH1 3.3Å; E30-R84 IonicContact OE1-NH2 2.84Å; E30-R84 PolarHBondContact OE1-NH2 3.01Å; E30-R84 IonicContact OE2-CZ 2.77Å; E30-R84 IonicContact OE2-NH1 2.71Å; E30-R84 PolarHBondContact OE2-NH1 3.22Å; E30-R94 IonicContact OE2-CZ 3.23Å; E30-R94 VanDerWaalsContact OE2-CZ 3.25Å; E30-R94 IonicContact OE2-NH1 2.77Å; E30-R94 PolarHBondContact OE2-NH1 3.17Å; E30-R94 IonicContact OE2-NH2 2.81Å; E30-R94 PolarHBondContact OE2-NH2 3.03Å
31	E	89.2	Confident	92.3	Very high	132 Å²	132	62 Å²	62	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-46.8	-52.2	-177.8	-170.4	-175.9	-162.3	0	0	114	E29 W33 A34 E35	E29-E31 VanDerWaalsContact C-N 3.3Å; E29-E31 PolarHBondContact O-N 3.14Å; E31-W33 PolarHBondContact O-N 3.12Å; E31-W33 VanDerWaalsContact O-N 3.12Å; E31-A34 PolarHBondContact O-N 3.25Å; E31-E35 PolarHBondContact O-N 2.95Å
32	K	91.4	Very high	92.3	Very high	165 Å²	165	62 Å²	62	72%	0.717	32%	0.322	S	S	*	.	H	α-helix	trans	-60.2	-22.3	177.6	-67	-180	-179.4	174.3	0	114.2	E30 K36	E30-K32 PolarHBondContact O-N 3.24Å; K32-K36 WeakPolarHBondContact O-CD 3.33Å; K32-K36 WeakPolarHBondContact O-CG 3.43Å
33	W	93.4	Very high	92.2	Very high	34 Å²	34	66.3 Å²	66.3	13%	0.129	34%	0.338	C	S	.	.	H	α-helix	trans	-83.1	-42.8	173.8	171	86.1	0	0	0	110.8	E30 E31 K36 A37 I91 V95	E30-W33 HydrophobicContact CB-CB 4.21Å; E30-W33 HydrophobicContact CB-CE3 4.49Å; E30-W33 WeakPolarHBondContact O-CA 3.45Å; E30-W33 WeakPolarHBondContact O-CB 3.44Å; E30-W33 PolarHBondContact O-N 3.24Å; E31-W33 PolarHBondContact O-N 3.12Å; E31-W33 VanDerWaalsContact O-N 3.12Å; W33-K36 PolarHBondContact O-N 3.02Å; W33-A37 PolarHBondContact O-N 3.23Å; W33-I91 HydrophobicContact CH2-CB 4.5Å; W33-I91 HydrophobicContact CH2-CG2 3.9Å; W33-I91 HydrophobicContact CZ2-CG1 4.28Å; W33-I91 HydrophobicContact CZ2-CG2 3.97Å; W33-V95 HydrophobicContact CH2-CG2 4.13Å; W33-V95 HydrophobicContact CZ3-CG2 3.73Å
34	A	94.8	Very high	92.1	Very high	3 Å²	3	66.5 Å²	66.5	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176	0	0	0	0	0	111.9	L22 K25 E30 E31 K36 A37 V38 V95	L22-A34 HydrophobicContact CD2-CB 4.23Å; K25-A34 HydrophobicContact CD-CB 3.56Å; K25-A34 HydrophobicContact CG-CB 4.39Å; E30-A34 PolarHBondContact O-N 3.43Å; E31-A34 PolarHBondContact O-N 3.25Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.47Å; A34-A37 WeakPolarHBondContact O-CB 3.31Å; A34-A37 PolarHBondContact O-N 3.46Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.38Å; A34-V95 HydrophobicContact CB-CG2 4.27Å
35	E	95.1	Very high	92.2	Very high	55 Å²	55	63.3 Å²	63.3	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-52.9	-49	173.3	-174.6	-170.2	174.5	0	0	111.4	T14 L22 E31 A37 V38 D39	T14-E35 HydrophobicContact CG2-CG 3.89Å; T14-E35 WeakPolarHBondContact CG2-OE1 3.32Å; L22-E35 HydrophobicContact CD1-CB 4.25Å; L22-E35 HydrophobicContact CD1-CG 4.24Å; E31-E35 PolarHBondContact O-N 2.95Å; E35-A37 PolarHBondContact O-N 2.91Å; E35-V38 PolarHBondContact O-N 3.26Å; E35-D39 WeakPolarHBondContact O-CB 3.29Å; E35-D39 PolarHBondContact O-N 3.37Å
36	K	95.1	Very high	92	Very high	104 Å²	104	68.1 Å²	68.1	45%	0.452	33%	0.329	S	S	.	.	H	α-helix	trans	-66.2	-35	175.9	-70.3	175.8	178.7	176.7	0	113	K32 W33 A34 S40 V81 S82	K32-K36 WeakPolarHBondContact O-CD 3.33Å; K32-K36 WeakPolarHBondContact O-CG 3.43Å; W33-K36 PolarHBondContact O-N 3.02Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.47Å; K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.35Å; K36-S40 PolarHBondContact O-N 3.4Å; K36-S40 VanDerWaalsContact O-N 3.12Å; K36-V81 HydrophobicContact CB-CG1 3.96Å; K36-S82 PolarHBondContact NZ-OG 3.1Å
37	A	95.6	Very high	91.9	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-43.9	177.3	0	0	0	0	0	111.5	W33 A34 E35 L41 V81 I91 Y92 V95	W33-A37 PolarHBondContact O-N 3.23Å; A34-A37 WeakPolarHBondContact O-CB 3.31Å; A34-A37 PolarHBondContact O-N 3.46Å; E35-A37 PolarHBondContact O-N 2.91Å; A37-L41 PolarHBondContact O-N 3.3Å; A37-L41 VanDerWaalsContact O-N 3.1Å; A37-V81 HydrophobicContact CB-CG1 3.93Å; A37-V81 HydrophobicContact CB-CG2 4.25Å; A37-I91 HydrophobicContact CB-CG2 4.05Å; A37-Y92 HydrophobicContact CB-CE1 4.34Å; A37-Y92 WeakPolarHBondContact O-CE1 3.34Å; A37-Y92 PolarHBondContact O-OH 2.95Å; A37-V95 HydrophobicContact CB-CG2 4.48Å
38	V	96.9	Very high	92.1	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-72.6	-43	179.7	175.2	0	0	0	0	111.3	V18 L21 L22 A34 E35 S40 L41 V42 V95 W96	V18-V38 HydrophobicContact CB-CG1 4.39Å; V18-V38 HydrophobicContact CG1-CB 4.4Å; V18-V38 HydrophobicContact CG1-CG1 4.02Å; V18-V38 HydrophobicContact CG2-CG1 4.47Å; L21-V38 HydrophobicContact CB-CG1 3.54Å; L21-V38 HydrophobicContact CD1-CG1 4.01Å; L21-V38 HydrophobicContact CG-CG1 4.46Å; L22-V38 HydrophobicContact CD2-CB 4.32Å; L22-V38 HydrophobicContact CD2-CG2 3.91Å; L22-V38 HydrophobicContact CG-CB 4.5Å; L22-V38 HydrophobicContact CG-CG1 4.5Å; L22-V38 HydrophobicContact CG-CG2 4.44Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.38Å; E35-V38 PolarHBondContact O-N 3.26Å; V38-S40 PolarHBondContact O-N 3Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.42Å; V38-L41 VanDerWaalsContact O-N 3.1Å; V38-V42 HydrophobicContact CG1-CG2 4.34Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 3.03Å; V38-V95 HydrophobicContact CG2-CG1 4.12Å; V38-W96 HydrophobicContact CG2-CZ2 4Å
39	D	95.3	Very high	92.6	Very high	51 Å²	51	78 Å²	78	27%	0.273	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-44.7	173.9	170.8	69.8	0	0	0	112.3	V18 E35 L41 V42 K43	V18-D39 HydrophobicContact CG1-CB 4.48Å; V18-D39 HydrophobicContact CG2-CB 4.05Å; E35-D39 WeakPolarHBondContact O-CB 3.29Å; E35-D39 PolarHBondContact O-N 3.37Å; D39-L41 VanDerWaalsContact C-N 3.27Å; D39-L41 PolarHBondContact O-N 3.26Å; D39-V42 PolarHBondContact O-N 3.27Å; D39-K43 VanDerWaalsContact CG-NZ 3.3Å; D39-K43 WeakPolarHBondContact O-CG 3.27Å; D39-K43 PolarHBondContact O-N 2.97Å; D39-K43 VanDerWaalsContact O-N 3.11Å; D39-K43 WeakPolarHBondContact OD1-CE 3.39Å; D39-K43 IonicContact OD1-NZ 3.64Å; D39-K43 PolarHBondContact OD1-NZ 3.14Å; D39-K43 WeakPolarHBondContact OD2-CE 3.41Å; D39-K43 IonicContact OD2-NZ 3.73Å; D39-K43 PolarHBondContact OD2-NZ 3.4Å
40	S	93.9	Very high	93.4	Very high	30 Å²	30	71.9 Å²	71.9	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-36.4	173.5	-173.8	0	0	0	0	112.3	K36 V38 K44	K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.35Å; K36-S40 PolarHBondContact O-N 3.4Å; K36-S40 VanDerWaalsContact O-N 3.12Å; V38-S40 PolarHBondContact O-N 3Å; S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.42Å
41	L	96.3	Very high	93.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-49.3	175.3	-173.2	63.8	0	0	0	112.3	A37 V38 D39 K43 K44 L45 L55 I71 Y92 W96 I126	A37-L41 PolarHBondContact O-N 3.3Å; A37-L41 VanDerWaalsContact O-N 3.1Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.42Å; V38-L41 VanDerWaalsContact O-N 3.1Å; D39-L41 VanDerWaalsContact C-N 3.27Å; D39-L41 PolarHBondContact O-N 3.26Å; L41-K43 PolarHBondContact O-N 3.38Å; L41-K44 CarbonylContact O-C 3.57Å; L41-K44 WeakPolarHBondContact O-CA 2.96Å; L41-K44 WeakPolarHBondContact O-CB 3.33Å; L41-K44 PolarHBondContact O-N 2.67Å; L41-L45 HydrophobicContact CD1-CD1 4.11Å; L41-L45 HydrophobicContact CD1-CD2 4.25Å; L41-L45 HydrophobicContact CD1-CG 3.93Å; L41-L45 HydrophobicContact CD2-CD1 3.89Å; L41-L45 HydrophobicContact CG-CD1 3.69Å; L41-L45 HydrophobicContact CG-CG 3.89Å; L41-L45 PolarHBondContact O-N 2.88Å; L41-L55 HydrophobicContact CD2-CD2 3.71Å; L41-I71 HydrophobicContact CD1-CG2 3.61Å; L41-Y92 HydrophobicContact CB-CE1 3.83Å; L41-Y92 WeakPolarHBondContact CB-OH 3.23Å; L41-Y92 HydrophobicContact CD1-CE1 4.49Å; L41-Y92 HydrophobicContact CD1-CE2 4Å; L41-Y92 HydrophobicContact CD2-CD1 4.03Å; L41-Y92 HydrophobicContact CD2-CE1 3.83Å; L41-Y92 HydrophobicContact CG-CE1 4.26Å; L41-W96 HydrophobicContact CD2-CH2 3.53Å; L41-W96 HydrophobicContact CD2-CZ3 4.15Å; L41-I126 HydrophobicContact CD1-CD1 4.18Å; L41-I126 HydrophobicContact CD1-CG1 4.09Å; L41-I126 HydrophobicContact CD2-CD1 3.93Å
42	V	95.9	Very high	94.2	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-56.2	-39.7	-179	168.4	0	0	0	0	110.5	A17 V18 L21 V38 D39 K44 L45 K46	A17-V42 HydrophobicContact CB-CG1 4.2Å; A17-V42 HydrophobicContact CB-CG2 4.41Å; V18-V42 HydrophobicContact CG2-CB 4.16Å; V18-V42 HydrophobicContact CG2-CG1 4.46Å; V18-V42 HydrophobicContact CG2-CG2 3.89Å; L21-V42 HydrophobicContact CD1-CG2 3.54Å; V38-V42 HydrophobicContact CG1-CG2 4.34Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 3.03Å; D39-V42 PolarHBondContact O-N 3.27Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.84Å; V42-L45 PolarHBondContact O-N 2.58Å; V42-K46 HydrophobicContact CG1-CD 4.1Å; V42-K46 HydrophobicContact CG1-CG 4.41Å; V42-K46 WeakPolarHBondContact O-CB 3.38Å; V42-K46 VanDerWaalsContact O-CG 3.27Å; V42-K46 WeakPolarHBondContact O-CG 3.45Å; V42-K46 PolarHBondContact O-N 2.98Å
43	K	93.5	Very high	94.4	Very high	127 Å²	127	61.8 Å²	61.8	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-63.8	-27	174.3	-72	167.1	179	166.8	0	113.8	D39 L41	D39-K43 VanDerWaalsContact CG-NZ 3.3Å; D39-K43 WeakPolarHBondContact O-CG 3.27Å; D39-K43 PolarHBondContact O-N 2.97Å; D39-K43 VanDerWaalsContact O-N 3.11Å; D39-K43 WeakPolarHBondContact OD1-CE 3.39Å; D39-K43 IonicContact OD1-NZ 3.64Å; D39-K43 PolarHBondContact OD1-NZ 3.14Å; D39-K43 WeakPolarHBondContact OD2-CE 3.41Å; D39-K43 IonicContact OD2-NZ 3.73Å; D39-K43 PolarHBondContact OD2-NZ 3.4Å; L41-K43 PolarHBondContact O-N 3.38Å
44	K	93.5	Very high	94.5	Very high	72 Å²	72	61.4 Å²	61.4	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-82.9	-48.7	173.9	-66.2	165.7	-172.7	-71.7	0	111.4	S40 L41 V42 K46 K47 I71	S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.42Å; L41-K44 CarbonylContact O-C 3.57Å; L41-K44 WeakPolarHBondContact O-CA 2.96Å; L41-K44 WeakPolarHBondContact O-CB 3.33Å; L41-K44 PolarHBondContact O-N 2.67Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.84Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.78Å; K44-K47 WeakPolarHBondContact O-CB 3.34Å; K44-K47 PolarHBondContact O-N 2.69Å; K44-I71 HydrophobicContact CB-CG2 4.27Å; K44-I71 HydrophobicContact CD-CD1 4.28Å; K44-I71 HydrophobicContact CD-CG2 4.32Å
45	L	95.6	Very high	94.6	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-32	-177.4	-63.2	-178.2	0	0	0	112.8	L41 V42 K47 K48 A51 L55 V69 I71	L41-L45 HydrophobicContact CD1-CD1 4.11Å; L41-L45 HydrophobicContact CD1-CD2 4.25Å; L41-L45 HydrophobicContact CD1-CG 3.93Å; L41-L45 HydrophobicContact CD2-CD1 3.89Å; L41-L45 HydrophobicContact CG-CD1 3.69Å; L41-L45 HydrophobicContact CG-CG 3.89Å; L41-L45 PolarHBondContact O-N 2.88Å; V42-L45 PolarHBondContact O-N 2.58Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-K48 CarbonylContact O-C 3.49Å; L45-K48 PolarHBondContact O-N 2.85Å; L45-K48 VanDerWaalsContact O-O 3.07Å; L45-A51 HydrophobicContact CD2-CB 4.07Å; L45-L55 HydrophobicContact CD1-CB 4.39Å; L45-L55 HydrophobicContact CD1-CD2 3.6Å; L45-V69 HydrophobicContact CD1-CG1 4.08Å; L45-V69 HydrophobicContact CD2-CG1 3.75Å; L45-I71 HydrophobicContact CD2-CG2 4.19Å
46	K	92.8	Very high	94.7	Very high	141 Å²	141	60.2 Å²	60.2	61%	0.613	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.1	171.2	-79.8	177.5	177.8	-178.5	0	114.5	V42 K44	V42-K46 HydrophobicContact CG1-CD 4.1Å; V42-K46 HydrophobicContact CG1-CG 4.41Å; V42-K46 WeakPolarHBondContact O-CB 3.38Å; V42-K46 VanDerWaalsContact O-CG 3.27Å; V42-K46 WeakPolarHBondContact O-CG 3.45Å; V42-K46 PolarHBondContact O-N 2.98Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.78Å
47	K	91.8	Very high	94.7	Very high	189 Å²	189	59.8 Å²	59.8	82%	0.822	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.8	174.3	-56.2	-172.6	177.9	-169.1	0	113.7	K44 L45	K44-K47 WeakPolarHBondContact O-CB 3.34Å; K44-K47 PolarHBondContact O-N 2.69Å; L45-K47 PolarHBondContact O-N 2.99Å
48	K	91.9	Very high	94.7	Very high	83 Å²	83	59.9 Å²	59.9	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-121.9	101.1	-177.7	-167.6	170.6	-172.5	169.1	0	109.2	L45 G50 A51 T70 E123	L45-K48 CarbonylContact O-C 3.49Å; L45-K48 PolarHBondContact O-N 2.85Å; L45-K48 VanDerWaalsContact O-O 3.07Å; K48-G50 PolarHBondContact O-N 3.38Å; K48-A51 HydrophobicContact CB-CB 3.89Å; K48-A51 HydrophobicContact CD-CB 4.26Å; K48-A51 HydrophobicContact CG-CB 3.99Å; K48-A51 VanDerWaalsContact O-CB 3.26Å; K48-A51 WeakPolarHBondContact O-CB 3.36Å; K48-A51 PolarHBondContact O-N 3.16Å; K48-A51 VanDerWaalsContact O-N 3.07Å; K48-T70 PolarHBondContact NZ-OG1 3.47Å; K48-E123 VanDerWaalsContact NZ-CD 3.3Å; K48-E123 IonicContact NZ-OE1 2.8Å; K48-E123 PolarHBondContact NZ-OE1 3.06Å; K48-E123 IonicContact NZ-OE2 2.72Å; K48-E123 PolarHBondContact NZ-OE2 3.04Å
49	K	91.8	Very high	94.7	Very high	219 Å²	219	60 Å²	60	95%	0.952	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130.2	-178	-173.9	179.4	-179.7	-178.4	0	110.9	A51	K49-A51 VanDerWaalsContact C-N 3.29Å; K49-A51 PolarHBondContact O-N 2.95Å
50	G	92.9	Very high	94.8	Very high	35 Å²	35	60.6 Å²	60.6	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-12.6	-179.7	0	0	0	0	0	115.5	K48 M52 E53 E54	K48-G50 PolarHBondContact O-N 3.38Å; G50-M52 VanDerWaalsContact C-N 3.31Å; G50-M52 PolarHBondContact O-N 3Å; G50-E53 WeakPolarHBondContact CA-OE2 3.35Å; G50-E53 PolarHBondContact N-OE2 3.45Å; G50-E54 VanDerWaalsContact O-CB 3.27Å; G50-E54 WeakPolarHBondContact O-CB 3.37Å; G50-E54 PolarHBondContact O-N 2.83Å
51	A	95.2	Very high	94.8	Very high	10 Å²	10	61.4 Å²	61.4	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-76.7	-17.6	-175.5	0	0	0	0	0	113.8	L45 K48 K49 L55	L45-A51 HydrophobicContact CD2-CB 4.07Å; K48-A51 HydrophobicContact CB-CB 3.89Å; K48-A51 HydrophobicContact CD-CB 4.26Å; K48-A51 HydrophobicContact CG-CB 3.99Å; K48-A51 VanDerWaalsContact O-CB 3.26Å; K48-A51 WeakPolarHBondContact O-CB 3.36Å; K48-A51 PolarHBondContact O-N 3.16Å; K48-A51 VanDerWaalsContact O-N 3.07Å; K49-A51 VanDerWaalsContact C-N 3.29Å; K49-A51 PolarHBondContact O-N 2.95Å; A51-L55 PolarHBondContact O-N 3Å
52	M	95.9	Very high	94.4	Very high	28 Å²	28	65.2 Å²	65.2	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-81.6	-47.5	177.3	-155.9	-65.7	-56	0	0	109.3	A17 G50 E54 L55 E56	A17-M52 HydrophobicContact CB-SD 4.49Å; G50-M52 VanDerWaalsContact C-N 3.31Å; G50-M52 PolarHBondContact O-N 3Å; M52-E54 VanDerWaalsContact C-N 3.33Å; M52-E54 PolarHBondContact O-N 2.82Å; M52-L55 WeakPolarHBondContact O-CB 3.48Å; M52-L55 PolarHBondContact O-N 3.21Å; M52-L55 VanDerWaalsContact O-N 3.14Å; M52-E56 VanDerWaalsContact CE-CD 3.45Å; M52-E56 HydrophobicContact CE-CG 4.27Å; M52-E56 WeakPolarHBondContact CE-OE1 3.41Å; M52-E56 WeakPolarHBondContact CE-OE2 3.39Å; M52-E56 PolarHBondContact O-N 2.96Å; M52-E56 VanDerWaalsContact SD-CD 3.51Å; M52-E56 HydrophobicContact SD-CG 3.88Å
53	E	95.3	Very high	93.8	Very high	112 Å²	112	68.5 Å²	68.5	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176	-58.4	81.2	175.6	0	0	111.5	G50 E56 R57	G50-E53 WeakPolarHBondContact CA-OE2 3.35Å; G50-E53 PolarHBondContact N-OE2 3.45Å; E53-E56 PolarHBondContact O-N 2.91Å; E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.98Å
54	E	96	Very high	93.7	Very high	26 Å²	26	68.3 Å²	68.3	12%	0.121	35%	0.354	C	S	.	.	H	α-helix	trans	-68.2	-33	175.2	-174.6	59.5	-152.3	0	0	112.8	G50 M52 R57 A58 K67 V69	G50-E54 VanDerWaalsContact O-CB 3.27Å; G50-E54 WeakPolarHBondContact O-CB 3.37Å; G50-E54 PolarHBondContact O-N 2.83Å; M52-E54 VanDerWaalsContact C-N 3.33Å; M52-E54 PolarHBondContact O-N 2.82Å; E54-R57 VanDerWaalsContact CD-NH2 3.34Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NE 3.42Å; E54-R57 PolarHBondContact OE1-NE 2.86Å; E54-R57 IonicContact OE1-NH2 2.68Å; E54-R57 PolarHBondContact OE1-NH2 2.96Å; E54-R57 IonicContact OE2-CZ 3.5Å; E54-R57 IonicContact OE2-NE 2.97Å; E54-R57 PolarHBondContact OE2-NE 3.07Å; E54-R57 IonicContact OE2-NH2 3.15Å; E54-R57 PolarHBondContact OE2-NH2 3.35Å; E54-R57 VanDerWaalsContact OE2-NH2 3.15Å; E54-A58 WeakPolarHBondContact O-CB 3.5Å; E54-A58 PolarHBondContact O-N 2.82Å; E54-K67 HydrophobicContact CG-CB 3.97Å; E54-K67 WeakPolarHBondContact OE1-CB 3.24Å; E54-K67 PolarHBondContact OE1-N 3.11Å; E54-V69 HydrophobicContact CB-CG2 4.27Å; E54-V69 HydrophobicContact CG-CG2 3.98Å
55	L	97.1	Very high	93.7	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-44.9	172.7	-179.5	61.7	0	0	0	111.5	L21 L41 L45 A51 M52 R57 A58 L59 V69 W96 I126	L21-L55 HydrophobicContact CD1-CD2 4.15Å; L21-L55 HydrophobicContact CD2-CD2 3.81Å; L21-L55 HydrophobicContact CD2-CG 4.02Å; L41-L55 HydrophobicContact CD2-CD2 3.71Å; L45-L55 HydrophobicContact CD1-CB 4.39Å; L45-L55 HydrophobicContact CD1-CD2 3.6Å; A51-L55 PolarHBondContact O-N 3Å; M52-L55 WeakPolarHBondContact O-CB 3.48Å; M52-L55 PolarHBondContact O-N 3.21Å; M52-L55 VanDerWaalsContact O-N 3.14Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 2.91Å; L55-A58 PolarHBondContact O-N 3.08Å; L55-L59 HydrophobicContact CD1-CD1 4.11Å; L55-L59 HydrophobicContact CD1-CG 4.22Å; L55-L59 HydrophobicContact CG-CD1 4.02Å; L55-L59 HydrophobicContact CG-CG 4.49Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.79Å; L55-V69 HydrophobicContact CB-CG1 4.09Å; L55-V69 HydrophobicContact CB-CG2 3.96Å; L55-V69 HydrophobicContact CD1-CG1 4.46Å; L55-V69 HydrophobicContact CD1-CG2 4.35Å; L55-W96 HydrophobicContact CD1-CH2 4.37Å; L55-W96 HydrophobicContact CD1-CZ3 4.12Å; L55-W96 HydrophobicContact CD2-CH2 3.8Å; L55-W96 HydrophobicContact CD2-CZ2 4.45Å; L55-W96 HydrophobicContact CD2-CZ3 4.31Å; L55-I126 HydrophobicContact CD1-CD1 4.17Å; L55-I126 HydrophobicContact CD2-CD1 4.47Å
56	E	96.2	Very high	93.6	Very high	33 Å²	33	71.5 Å²	71.5	15%	0.154	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-41.6	176	-69.2	-174	166.6	0	0	111	R20 L21 W24 M52 E53 A58 L59 S60	R20-E56 WeakPolarHBondContact CD-OE1 3.42Å; R20-E56 IonicContact CZ-OE1 2.98Å; R20-E56 IonicContact NE-OE1 3.38Å; R20-E56 IonicContact NH1-OE1 3.94Å; R20-E56 PolarHBondContact NH1-OE1 3.4Å; R20-E56 IonicContact NH1-OE2 2.74Å; R20-E56 PolarHBondContact NH1-OE2 3.5Å; L21-E56 HydrophobicContact CD2-CG 4.03Å; W24-E56 HydrophobicContact CH2-CB 4.24Å; W24-E56 HydrophobicContact CH2-CG 4.19Å; W24-E56 HydrophobicContact CZ3-CG 4.19Å; M52-E56 VanDerWaalsContact CE-CD 3.45Å; M52-E56 HydrophobicContact CE-CG 4.27Å; M52-E56 WeakPolarHBondContact CE-OE1 3.41Å; M52-E56 WeakPolarHBondContact CE-OE2 3.39Å; M52-E56 PolarHBondContact O-N 2.96Å; M52-E56 VanDerWaalsContact SD-CD 3.51Å; M52-E56 HydrophobicContact SD-CG 3.88Å; E53-E56 PolarHBondContact O-N 2.91Å; E56-A58 PolarHBondContact O-N 3.48Å; E56-L59 PolarHBondContact O-N 3.34Å; E56-S60 WeakPolarHBondContact O-CB 3.37Å; E56-S60 PolarHBondContact O-N 2.85Å; E56-S60 PolarHBondContact O-OG 3.34Å; E56-S60 VanDerWaalsContact O-OG 3.12Å
57	R	95.6	Very high	93.8	Very high	95 Å²	95	71.8 Å²	71.8	36%	0.358	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-42.5	173.6	-172.7	175.9	79.5	89	-8.8	112.8	E53 E54 L55 S60 C61 P65	E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.98Å; E54-R57 VanDerWaalsContact CD-NH2 3.34Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NE 3.42Å; E54-R57 PolarHBondContact OE1-NE 2.86Å; E54-R57 IonicContact OE1-NH2 2.68Å; E54-R57 PolarHBondContact OE1-NH2 2.96Å; E54-R57 IonicContact OE2-CZ 3.5Å; E54-R57 IonicContact OE2-NE 2.97Å; E54-R57 PolarHBondContact OE2-NE 3.07Å; E54-R57 IonicContact OE2-NH2 3.15Å; E54-R57 PolarHBondContact OE2-NH2 3.35Å; E54-R57 VanDerWaalsContact OE2-NH2 3.15Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 2.91Å; R57-S60 PolarHBondContact O-OG 2.78Å; R57-C61 WeakPolarHBondContact O-CB 3.24Å; R57-C61 PolarHBondContact O-N 3.47Å; R57-C61 VanDerWaalsContact O-N 3.14Å; R57-P65 PolarHBondContact NH1-O 2.79Å; R57-P65 VanDerWaalsContact NH1-O 3.11Å
58	A	96.4	Very high	94	Very high	1 Å²	1	64 Å²	64	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-40.1	177.6	0	0	0	0	0	112	E54 L55 E56 Y129	E54-A58 WeakPolarHBondContact O-CB 3.5Å; E54-A58 PolarHBondContact O-N 2.82Å; L55-A58 PolarHBondContact O-N 3.08Å; E56-A58 PolarHBondContact O-N 3.48Å; A58-Y129 HydrophobicContact CB-CD2 4.44Å; A58-Y129 VanDerWaalsContact O-CD2 3.28Å; A58-Y129 WeakPolarHBondContact O-CD2 3.39Å; A58-Y129 WeakPolarHBondContact O-CE2 3.37Å
59	L	96.8	Very high	94.3	Very high	2 Å²	2	60 Å²	60	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-74.2	-34.3	178.5	-66	173.4	0	0	0	113.1	L21 W24 L55 E56 W96 P128 Y129	L21-L59 HydrophobicContact CD2-CD1 3.61Å; W24-L59 HydrophobicContact CB-CB 4.38Å; W24-L59 HydrophobicContact CB-CD1 4.46Å; W24-L59 HydrophobicContact CD2-CB 3.67Å; W24-L59 HydrophobicContact CD2-CD1 4.22Å; W24-L59 HydrophobicContact CE3-CB 3.95Å; W24-L59 HydrophobicContact CE3-CD1 3.76Å; W24-L59 HydrophobicContact CG-CB 3.86Å; W24-L59 HydrophobicContact CZ3-CB 4.49Å; W24-L59 HydrophobicContact CZ3-CD1 4.36Å; W24-L59 PolarHBondContact NE1-O 3.03Å; L55-L59 HydrophobicContact CD1-CD1 4.11Å; L55-L59 HydrophobicContact CD1-CG 4.22Å; L55-L59 HydrophobicContact CG-CD1 4.02Å; L55-L59 HydrophobicContact CG-CG 4.49Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.79Å; E56-L59 PolarHBondContact O-N 3.34Å; L59-W96 HydrophobicContact CD1-CD2 4.06Å; L59-W96 HydrophobicContact CD1-CG 4.36Å; L59-W96 HydrophobicContact CD1-CZ2 4.13Å; L59-W96 HydrophobicContact CD2-CB 3.79Å; L59-W96 HydrophobicContact CD2-CD2 3.85Å; L59-W96 HydrophobicContact CD2-CE3 4.25Å; L59-W96 HydrophobicContact CD2-CG 3.63Å; L59-P128 HydrophobicContact CD2-CG 3.91Å; L59-Y129 HydrophobicContact CD2-CE2 4.23Å
60	S	96.3	Very high	94.5	Very high	65 Å²	65	49.9 Å²	49.9	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-77.3	-24.1	178.1	68.8	0	0	0	0	114	E56 R57 P62	E56-S60 WeakPolarHBondContact O-CB 3.37Å; E56-S60 PolarHBondContact O-N 2.85Å; E56-S60 PolarHBondContact O-OG 3.34Å; E56-S60 VanDerWaalsContact O-OG 3.12Å; R57-S60 PolarHBondContact O-OG 2.78Å; S60-P62 VanDerWaalsContact C-CD 3.44Å; S60-P62 WeakPolarHBondContact O-CD 3.38Å
61	C	93.4	Very high	94.7	Very high	47 Å²	47	48.4 Å²	48.4	32%	0.318	28%	0.276	S	S	.	.	S	Bend	trans	-122.6	68.6	-179.3	-60.5	0	0	0	0	112.2	R57 G63 Q64	R57-C61 WeakPolarHBondContact O-CB 3.24Å; R57-C61 PolarHBondContact O-N 3.47Å; R57-C61 VanDerWaalsContact O-N 3.14Å; C61-G63 PolarHBondContact O-N 2.99Å; C61-Q64 HydrophobicContact CB-CB 4.21Å; C61-Q64 HydrophobicContact CB-CG 4.22Å; C61-Q64 PolarHBondContact O-N 3.01Å
62	P	89.6	Confident	94.7	Very high	80 Å²	80	52.3 Å²	52.3	52%	0.519	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.3	178.7	-25.8	34.6	0	0	0	112.7	S60 Q64 Y129	S60-P62 VanDerWaalsContact C-CD 3.44Å; S60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-Q64 PolarHBondContact O-N 3.07Å; P62-Y129 HydrophobicContact CB-CE1 3.75Å
63	G	81.3	Confident	94.5	Very high	71 Å²	71	54.5 Å²	54.5	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-7.1	176.9	0	0	0	0	0	115.9	C61	C61-G63 PolarHBondContact O-N 2.99Å
64	Q	91.8	Very high	94.3	Very high	122 Å²	122	51.6 Å²	51.6	57%	0.57	30%	0.299	S	S	*	.	S	Bend	trans	-82.6	152.5	173.1	-66.6	-163.1	2.5	0	0	112.6	C61 P62 S66	C61-Q64 HydrophobicContact CB-CB 4.21Å; C61-Q64 HydrophobicContact CB-CG 4.22Å; C61-Q64 PolarHBondContact O-N 3.01Å; P62-Q64 PolarHBondContact O-N 3.07Å; Q64-S66 PolarHBondContact O-N 2.85Å; Q64-S66 VanDerWaalsContact O-N 3.15Å
65	P	93.3	Very high	93.9	Very high	121 Å²	121	59.6 Å²	59.6	79%	0.786	34%	0.341	S	S	*	.			trans	-55.1	117.7	172.5	-27.2	36.1	0	0	0	113.2	R57	R57-P65 PolarHBondContact NH1-O 2.79Å; R57-P65 VanDerWaalsContact NH1-O 3.11Å
66	S	95.3	Very high	93.3	Very high	21 Å²	21	63 Å²	63	15%	0.147	36%	0.359	C	S	.	.			trans	-127.6	155.5	177.3	47.8	0	0	0	0	110.4	Q64 N127 H130	Q64-S66 PolarHBondContact O-N 2.85Å; Q64-S66 VanDerWaalsContact O-N 3.15Å; S66-N127 PolarHBondContact OG-ND2 3.23Å; S66-H130 PolarHBondContact O-CE1 3.46Å; S66-H130 PolarHBondContact O-NE2 3.36Å
67	K	96.2	Very high	92.9	Very high	148 Å²	148	61.7 Å²	61.7	64%	0.643	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-80.1	165.5	177.2	-58.3	178.2	177.9	179	0	110.2	E54 V69 N127 H130	E54-K67 HydrophobicContact CG-CB 3.97Å; E54-K67 WeakPolarHBondContact OE1-CB 3.24Å; E54-K67 PolarHBondContact OE1-N 3.11Å; K67-V69 PolarHBondContact O-N 2.85Å; K67-N127 PolarHBondContact O-ND2 2.79Å; K67-H130 PolarHBondContact O-CE1 3.45Å
68	C	96.7	Very high	92.7	Very high	24 Å²	24	63 Å²	63	16%	0.162	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-67.6	120.9	172.8	-64.2	0	0	0	0	110.1	T70 E114 F115 C125 H130	C68-T70 HydrophobicContact CB-CG2 3.87Å; C68-E114 PolarHBondContact SG-N 3.38Å; C68-F115 HydrophobicContact CB-CD2 3.67Å; C68-F115 HydrophobicContact CB-CE2 4.39Å; C68-C125 HydrophobicContact CB-CB 4.4Å; C68-H130 PolarHBondContact N-CE1 3.28Å; C68-H130 VanDerWaalsContact N-CE1 3.31Å; C68-H130 PolarHBondContact SG-CE1 2.82Å; C68-H130 PolarHBondContact SG-ND1 3.11Å
69	V	97.3	Very high	92.5	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-90.3	118.1	164.3	-178.9	0	0	0	0	106.7	L45 E54 L55 K67 C125 I126 N127	L45-V69 HydrophobicContact CD1-CG1 4.08Å; L45-V69 HydrophobicContact CD2-CG1 3.75Å; E54-V69 HydrophobicContact CB-CG2 4.27Å; E54-V69 HydrophobicContact CG-CG2 3.98Å; L55-V69 HydrophobicContact CB-CG1 4.09Å; L55-V69 HydrophobicContact CB-CG2 3.96Å; L55-V69 HydrophobicContact CD1-CG1 4.46Å; L55-V69 HydrophobicContact CD1-CG2 4.35Å; K67-V69 PolarHBondContact O-N 2.85Å; V69-C125 CarbonylContact O-C 3.58Å; V69-C125 WeakPolarHBondContact O-CA 3.32Å; V69-I126 HydrophobicContact CB-CD1 3.97Å; V69-I126 HydrophobicContact CG1-CD1 3.51Å; V69-I126 HydrophobicContact CG1-CG1 4.21Å; V69-I126 PolarHBondContact O-N 3.16Å; V69-N127 HydrophobicContact CB-CB 4.21Å; V69-N127 HydrophobicContact CG2-CB 4.29Å
70	T	96.8	Very high	92.3	Very high	5 Å²	5	69.1 Å²	69.1	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.1	-169.6	62.9	0	0	0	0	113.7	K48 C68 F115 E123 V124	K48-T70 PolarHBondContact NZ-OG1 3.47Å; C68-T70 HydrophobicContact CB-CG2 3.87Å; T70-F115 HydrophobicContact CG2-CB 3.78Å; T70-F115 HydrophobicContact CG2-CD1 4.21Å; T70-F115 HydrophobicContact CG2-CD2 3.78Å; T70-F115 HydrophobicContact CG2-CE2 4.48Å; T70-F115 HydrophobicContact CG2-CG 3.65Å; T70-E123 WeakPolarHBondContact CB-OE1 3.14Å; T70-E123 HydrophobicContact CG2-CB 4.49Å; T70-E123 VanDerWaalsContact OG1-CD 3.26Å; T70-E123 PolarHBondContact OG1-OE1 2.97Å; T70-V124 CarbonylContact C-O 3.43Å; T70-V124 VanDerWaalsContact CA-O 3.23Å; T70-V124 WeakPolarHBondContact CA-O 3.26Å
71	I	95.9	Very high	92.1	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.5	166.5	66.9	172.7	0	0	0	110.9	L41 K44 L45 P88 E123 V124 I126	L41-I71 HydrophobicContact CD1-CG2 3.61Å; K44-I71 HydrophobicContact CB-CG2 4.27Å; K44-I71 HydrophobicContact CD-CD1 4.28Å; K44-I71 HydrophobicContact CD-CG2 4.32Å; L45-I71 HydrophobicContact CD2-CG2 4.19Å; I71-P88 HydrophobicContact CD1-CB 3.85Å; I71-P88 HydrophobicContact CD1-CG 4.1Å; I71-P88 HydrophobicContact CG1-CB 4.47Å; I71-E123 CarbonylContact O-C 3.56Å; I71-E123 WeakPolarHBondContact O-CA 3.47Å; I71-V124 HydrophobicContact CG1-CG1 3.9Å; I71-V124 PolarHBondContact N-O 2.91Å; I71-V124 PolarHBondContact O-N 3.41Å; I71-I126 HydrophobicContact CD1-CG2 4.2Å; I71-I126 HydrophobicContact CG1-CG2 4.05Å; I71-I126 HydrophobicContact CG2-CG1 4.36Å
72	P	94.6	Very high	91.8	Very high	92 Å²	92	66 Å²	66	60%	0.597	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.5	172.1	-23.1	34.1	0	0	0	112.3
73	R	93.1	Very high	91.6	Very high	75 Å²	75	70.8 Å²	70.8	28%	0.283	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-72.9	142.5	170.5	-73.2	173.5	113.7	-125.3	6.5	110.4	F117 Q121 K122 V124	R73-F117 PolarHBondContact NH2-O 3.21Å; R73-Q121 WeakPolarHBondContact CD-O 3.33Å; R73-K122 PolarHBondContact N-O 3.25Å; R73-V124 HydrophobicContact CG-CB 3.72Å; R73-V124 HydrophobicContact CG-CG1 3.67Å
74	S	91.1	Very high	91.8	Very high	51 Å²	51	73 Å²	73	36%	0.357	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-79.9	167	166.6	53.4	0	0	0	0	111	D76 G77 R78	S74-D76 VanDerWaalsContact C-N 3.25Å; S74-D76 PolarHBondContact O-N 2.96Å; S74-D76 PolarHBondContact OG-OD1 3.2Å; S74-G77 PolarHBondContact O-N 2.9Å; S74-G77 VanDerWaalsContact OG-C 3.28Å; S74-G77 WeakPolarHBondContact OG-CA 3.21Å; S74-G77 PolarHBondContact OG-N 3.08Å; S74-R78 PolarHBondContact OG-N 3.5Å; S74-R78 PolarHBondContact OG-O 3.27Å
75	L	86.9	Confident	91.7	Very high	193 Å²	193	73.3 Å²	73.3	100%	1.01	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.2	178.1	-64.6	174.1	0	0	0	113.2
76	D	85.3	Confident	91.6	Very high	71 Å²	71	68.6 Å²	68.6	38%	0.38	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	9.4	177.1	79.3	-25.4	0	0	0	113.4	S74 R78	S74-D76 VanDerWaalsContact C-N 3.25Å; S74-D76 PolarHBondContact O-N 2.96Å; S74-D76 PolarHBondContact OG-OD1 3.2Å; D76-R78 PolarHBondContact O-N 3.46Å; D76-R78 PolarHBondContact OD1-N 2.89Å; D76-R78 VanDerWaalsContact OD1-N 3.13Å; D76-R78 IonicContact OD2-CZ 2.91Å; D76-R78 VanDerWaalsContact OD2-CZ 3.23Å; D76-R78 IonicContact OD2-NE 3.36Å; D76-R78 PolarHBondContact OD2-NE 3.19Å; D76-R78 IonicContact OD2-NH2 3.75Å; D76-R78 PolarHBondContact OD2-NH2 3.45Å
77	G	88.4	Confident	91.6	Very high	7 Å²	7	69 Å²	69	7%	0.072	34%	0.343	C	S	.	.	S	Bend	trans	67	-4	-178	0	0	0	0	0	116.1	S74 L87 P88	S74-G77 PolarHBondContact O-N 2.9Å; S74-G77 VanDerWaalsContact OG-C 3.28Å; S74-G77 WeakPolarHBondContact OG-CA 3.21Å; S74-G77 PolarHBondContact OG-N 3.08Å; G77-L87 WeakPolarHBondContact O-CD2 2.91Å; G77-P88 VanDerWaalsContact O-CD 3.28Å; G77-P88 WeakPolarHBondContact O-CD 3.45Å
78	R	90.4	Very high	91.5	Very high	123 Å²	123	62.2 Å²	62.2	46%	0.464	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-100.2	141.9	-176.8	-66.2	178	-63.5	-158.1	-3.8	112.6	S74 D76 G86 L87	S74-R78 PolarHBondContact OG-N 3.5Å; S74-R78 PolarHBondContact OG-O 3.27Å; D76-R78 PolarHBondContact O-N 3.46Å; D76-R78 PolarHBondContact OD1-N 2.89Å; D76-R78 VanDerWaalsContact OD1-N 3.13Å; D76-R78 IonicContact OD2-CZ 2.91Å; D76-R78 VanDerWaalsContact OD2-CZ 3.23Å; D76-R78 IonicContact OD2-NE 3.36Å; D76-R78 PolarHBondContact OD2-NE 3.19Å; D76-R78 IonicContact OD2-NH2 3.75Å; D76-R78 PolarHBondContact OD2-NH2 3.45Å; R78-G86 CarbonylContact C-O 3.6Å; R78-G86 WeakPolarHBondContact CA-O 3.44Å; R78-L87 HydrophobicContact CG-CD2 3.75Å; R78-L87 HydrophobicContact CG-CG 4.49Å
79	L	92.7	Very high	91.5	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.099	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.6	169.7	178.1	65.1	0	0	0	109.5	V81 K85 G86 P88 I91 Y92	L79-V81 HydrophobicContact CD2-CG2 4.23Å; L79-V81 HydrophobicContact CG-CG2 4.22Å; L79-K85 WeakPolarHBondContact O-CA 3.42Å; L79-G86 PolarHBondContact N-O 2.88Å; L79-G86 PolarHBondContact O-N 3.36Å; L79-P88 HydrophobicContact CB-CG 4.07Å; L79-I91 HydrophobicContact CB-CD1 4.07Å; L79-I91 HydrophobicContact CD2-CD1 4.28Å; L79-I91 HydrophobicContact CG-CD1 4.43Å; L79-Y92 HydrophobicContact CD2-CE2 3.96Å; L79-Y92 WeakPolarHBondContact CD2-OH 3.37Å
80	Q	92.3	Very high	91.4	Very high	111 Å²	111	62.1 Å²	62.1	52%	0.519	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129	170.6	-173.2	167.9	-23.2	0	0	110.4	S82 R84 K85	Q80-S82 WeakPolarHBondContact CG-O 3.27Å; Q80-S82 PolarHBondContact NE2-O 3.4Å; Q80-S82 VanDerWaalsContact NE2-O 3.08Å; Q80-R84 CarbonylContact C-O 3.56Å; Q80-R84 WeakPolarHBondContact CA-O 3.43Å; Q80-K85 HydrophobicContact CB-CG 4.05Å; Q80-K85 HydrophobicContact CG-CG 4.13Å; Q80-K85 VanDerWaalsContact OE1-CE 3.23Å
81	V	91.3	Very high	91.4	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.7	173.4	-179.2	0	0	0	0	107.9	K36 A37 L79 H83 R84 I91	K36-V81 HydrophobicContact CB-CG1 3.96Å; A37-V81 HydrophobicContact CB-CG1 3.93Å; A37-V81 HydrophobicContact CB-CG2 4.25Å; L79-V81 HydrophobicContact CD2-CG2 4.23Å; L79-V81 HydrophobicContact CG-CG2 4.22Å; V81-H83 PolarHBondContact O-N 2.94Å; V81-R84 PolarHBondContact N-O 2.9Å; V81-R84 PolarHBondContact O-N 3.07Å; V81-I91 HydrophobicContact CG2-CD1 4.22Å
82	S	88.1	Confident	91.4	Very high	43 Å²	43	62.2 Å²	62.2	30%	0.301	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	-118	-169.4	-148.3	0	0	0	0	111	K36 Q80	K36-S82 PolarHBondContact NZ-OG 3.1Å; Q80-S82 WeakPolarHBondContact CG-O 3.27Å; Q80-S82 PolarHBondContact NE2-O 3.4Å; Q80-S82 VanDerWaalsContact NE2-O 3.08Å
83	H	84.3	Confident	91.5	Very high	180 Å²	180	57.9 Å²	57.9	83%	0.833	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.1	-179.3	-50.2	-74.4	0	0	0	113.5	V81	V81-H83 PolarHBondContact O-N 2.94Å
84	R	86	Confident	91.6	Very high	118 Å²	118	57.4 Å²	57.4	45%	0.445	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139	-178.2	-62.4	-177.3	-179.4	173.9	-2.4	110.7	E30 Q80 V81	E30-R84 IonicContact OE1-CZ 3.25Å; E30-R84 IonicContact OE1-NH1 2.75Å; E30-R84 PolarHBondContact OE1-NH1 3.3Å; E30-R84 IonicContact OE1-NH2 2.84Å; E30-R84 PolarHBondContact OE1-NH2 3.01Å; E30-R84 IonicContact OE2-CZ 2.77Å; E30-R84 IonicContact OE2-NH1 2.71Å; E30-R84 PolarHBondContact OE2-NH1 3.22Å; Q80-R84 CarbonylContact C-O 3.56Å; Q80-R84 WeakPolarHBondContact CA-O 3.43Å; V81-R84 PolarHBondContact N-O 2.9Å; V81-R84 PolarHBondContact O-N 3.07Å
85	K	90	Very high	91.9	Very high	129 Å²	129	55.2 Å²	55.2	56%	0.561	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.9	167.3	-71.5	-172.2	176.6	-173.9	0	109.1	L79 Q80	L79-K85 WeakPolarHBondContact O-CA 3.42Å; Q80-K85 HydrophobicContact CB-CG 4.05Å; Q80-K85 HydrophobicContact CG-CG 4.13Å; Q80-K85 VanDerWaalsContact OE1-CE 3.23Å
86	G	91.3	Very high	92.4	Very high	22 Å²	22	46.1 Å²	46.1	23%	0.227	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	169.9	179.3	0	0	0	0	0	111.7	R78 L79	R78-G86 CarbonylContact C-O 3.6Å; R78-G86 WeakPolarHBondContact CA-O 3.44Å; L79-G86 PolarHBondContact N-O 2.88Å; L79-G86 PolarHBondContact O-N 3.36Å
87	L	94.2	Very high	92.9	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.157	21%	0.214	C	C	.	.			trans	-80.2	135	178.8	-64.9	172.9	0	0	0	110	G77 R78 H89 V90 I91 H104 F117	G77-L87 WeakPolarHBondContact O-CD2 2.91Å; R78-L87 HydrophobicContact CG-CD2 3.75Å; R78-L87 HydrophobicContact CG-CG 4.49Å; L87-H89 PolarHBondContact O-N 3.1Å; L87-V90 HydrophobicContact CB-CB 4.36Å; L87-V90 HydrophobicContact CB-CG2 3.99Å; L87-V90 PolarHBondContact O-N 2.9Å; L87-V90 VanDerWaalsContact O-N 3.1Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.1Å; L87-H104 HydrophobicContact CD1-CB 3.8Å; L87-F117 HydrophobicContact CD1-CE1 4.01Å; L87-F117 HydrophobicContact CD1-CZ 3.95Å; L87-F117 HydrophobicContact CD2-CE1 4.37Å; L87-F117 HydrophobicContact CD2-CE2 3.75Å; L87-F117 HydrophobicContact CD2-CZ 3.48Å; L87-F117 VanDerWaalsContact CD2-CZ 3.48Å; L87-F117 HydrophobicContact CG-CZ 4.26Å
88	P	95.6	Very high	93.2	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-53	-49.9	-172.9	-29.7	34.2	0	0	0	114.5	I71 G77 L79 V90 I91 Y92 V124 I126	I71-P88 HydrophobicContact CD1-CB 3.85Å; I71-P88 HydrophobicContact CD1-CG 4.1Å; I71-P88 HydrophobicContact CG1-CB 4.47Å; G77-P88 VanDerWaalsContact O-CD 3.28Å; G77-P88 WeakPolarHBondContact O-CD 3.45Å; L79-P88 HydrophobicContact CB-CG 4.07Å; P88-V90 VanDerWaalsContact C-N 3.33Å; P88-V90 PolarHBondContact O-N 3.45Å; P88-I91 PolarHBondContact O-N 3.45Å; P88-Y92 WeakPolarHBondContact O-CD2 3.06Å; P88-Y92 PolarHBondContact O-N 2.89Å; P88-V124 HydrophobicContact CB-CG1 4.24Å; P88-V124 HydrophobicContact CG-CG1 4.15Å; P88-I126 HydrophobicContact CB-CG2 3.74Å
89	H	95.9	Very high	93.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-39	-180	64.5	-75.4	0	0	0	112.2	L87 C93 F117 Y131	L87-H89 PolarHBondContact O-N 3.1Å; H89-C93 WeakPolarHBondContact O-CB 3.33Å; H89-C93 PolarHBondContact O-N 3.09Å; H89-C93 PolarHBondContact O-SG 3.36Å; H89-F117 AromaticContact CE1-CD1 3.33Å; H89-F117 WeakPolarHBondContact CE1-CD1 3.33Å; H89-F117 AromaticContact CE1-CD2 3.56Å; H89-F117 AromaticContact CE1-CE1 3.91Å; H89-F117 AromaticContact CE1-CG 3.13Å; H89-F117 WeakPolarHBondContact CE1-CG 3.47Å; H89-F117 WeakPolarHBondContact ND1-CB 3.49Å; H89-F117 AromaticContact ND1-CD2 3.53Å; H89-F117 AromaticContact ND1-CG 3.4Å; H89-F117 WeakPolarHBondContact ND1-CG 3.09Å; H89-F117 AromaticContact NE2-CD1 3.98Å; H89-F117 AromaticContact NE2-CG 3.97Å; H89-Y131 HydrophobicContact CB-CE1 4.15Å; H89-Y131 HydrophobicContact CB-CE2 3.8Å; H89-Y131 WeakPolarHBondContact CB-OH 3.24Å; H89-Y131 AromaticContact CD2-CE1 4Å
90	V	95.7	Very high	93.2	Very high	18 Å²	18	47.6 Å²	47.6	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-48	173.7	-178.4	0	0	0	0	110.9	L87 P88 Y92 C93 R94 L101 H104 L107	L87-V90 HydrophobicContact CB-CB 4.36Å; L87-V90 HydrophobicContact CB-CG2 3.99Å; L87-V90 PolarHBondContact O-N 2.9Å; L87-V90 VanDerWaalsContact O-N 3.1Å; P88-V90 VanDerWaalsContact C-N 3.33Å; P88-V90 PolarHBondContact O-N 3.45Å; V90-Y92 VanDerWaalsContact C-N 3.32Å; V90-Y92 PolarHBondContact O-N 3.45Å; V90-C93 PolarHBondContact O-N 3.43Å; V90-R94 WeakPolarHBondContact O-CB 3.13Å; V90-R94 PolarHBondContact O-N 3.12Å; V90-L101 HydrophobicContact CB-CD2 4.49Å; V90-L101 HydrophobicContact CG1-CD2 3.86Å; V90-L101 HydrophobicContact CG1-CG 4.24Å; V90-H104 HydrophobicContact CG2-CB 3.52Å; V90-L107 HydrophobicContact CG2-CD1 4.43Å
91	I	95.9	Very high	93.1	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.062	21%	0.205	C	C	.	.	H	α-helix	trans	-54.3	-50.1	178.9	-70.3	166.2	0	0	0	110.5	W33 A37 L79 V81 L87 P88 R94 V95	W33-I91 HydrophobicContact CH2-CB 4.5Å; W33-I91 HydrophobicContact CH2-CG2 3.9Å; W33-I91 HydrophobicContact CZ2-CG1 4.28Å; W33-I91 HydrophobicContact CZ2-CG2 3.97Å; A37-I91 HydrophobicContact CB-CG2 4.05Å; L79-I91 HydrophobicContact CB-CD1 4.07Å; L79-I91 HydrophobicContact CD2-CD1 4.28Å; L79-I91 HydrophobicContact CG-CD1 4.43Å; V81-I91 HydrophobicContact CG2-CD1 4.22Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.1Å; P88-I91 PolarHBondContact O-N 3.45Å; I91-R94 PolarHBondContact O-N 2.65Å; I91-V95 WeakPolarHBondContact O-CG2 3.28Å; I91-V95 PolarHBondContact O-N 3Å; I91-V95 VanDerWaalsContact O-N 3.07Å
92	Y	96.9	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-81.2	-31.5	-173.6	-66	-58.1	0	0	0	113.6	A37 L41 L79 P88 V90 R94 V95 W96 I126	A37-Y92 HydrophobicContact CB-CE1 4.34Å; A37-Y92 WeakPolarHBondContact O-CE1 3.34Å; A37-Y92 PolarHBondContact O-OH 2.95Å; L41-Y92 HydrophobicContact CB-CE1 3.83Å; L41-Y92 WeakPolarHBondContact CB-OH 3.23Å; L41-Y92 HydrophobicContact CD1-CE1 4.49Å; L41-Y92 HydrophobicContact CD1-CE2 4Å; L41-Y92 HydrophobicContact CD2-CD1 4.03Å; L41-Y92 HydrophobicContact CD2-CE1 3.83Å; L41-Y92 HydrophobicContact CG-CE1 4.26Å; L79-Y92 HydrophobicContact CD2-CE2 3.96Å; L79-Y92 WeakPolarHBondContact CD2-OH 3.37Å; P88-Y92 WeakPolarHBondContact O-CD2 3.06Å; P88-Y92 PolarHBondContact O-N 2.89Å; V90-Y92 VanDerWaalsContact C-N 3.32Å; V90-Y92 PolarHBondContact O-N 3.45Å; Y92-R94 VanDerWaalsContact C-N 3.3Å; Y92-V95 PolarHBondContact O-N 3.27Å; Y92-W96 HydrophobicContact CD1-CE3 4.43Å; Y92-W96 AromaticContact CD1-CH2 3.79Å; Y92-W96 HydrophobicContact CD1-CH2 3.79Å; Y92-W96 AromaticContact CD1-CZ3 3.65Å; Y92-W96 HydrophobicContact CD1-CZ3 3.65Å; Y92-W96 HydrophobicContact CE1-CH2 4.49Å; Y92-W96 HydrophobicContact CG-CH2 4.46Å; Y92-W96 AromaticContact CG-CZ3 3.91Å; Y92-W96 HydrophobicContact CG-CZ3 3.91Å; Y92-W96 VanDerWaalsContact O-CE3 3.29Å; Y92-W96 PolarHBondContact O-N 3.25Å; Y92-I126 HydrophobicContact CD2-CB 3.68Å; Y92-I126 HydrophobicContact CD2-CG1 4.26Å; Y92-I126 HydrophobicContact CD2-CG2 3.7Å; Y92-I126 HydrophobicContact CE2-CG2 4.26Å; Y92-I126 HydrophobicContact CG-CB 4.25Å
93	C	96.9	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-36.4	166.9	-67.6	0	0	0	0	111.9	H89 V90 R97 W98 L101 L107	H89-C93 WeakPolarHBondContact O-CB 3.33Å; H89-C93 PolarHBondContact O-N 3.09Å; H89-C93 PolarHBondContact O-SG 3.36Å; V90-C93 PolarHBondContact O-N 3.43Å; C93-R97 PolarHBondContact O-N 3.22Å; C93-W98 HydrophobicContact CB-CE3 3.98Å; C93-W98 HydrophobicContact CB-CZ3 4.11Å; C93-W98 PolarHBondContact O-N 2.79Å; C93-L101 HydrophobicContact CB-CD2 3.88Å; C93-L107 HydrophobicContact CB-CD1 3.97Å
94	R	95.5	Very high	93.3	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-40.9	176.6	-170.4	176.6	-178.3	-134	-17.8	112.4	E30 V90 I91 Y92 W98 P99 L101	E30-R94 IonicContact OE2-CZ 3.23Å; E30-R94 VanDerWaalsContact OE2-CZ 3.25Å; E30-R94 IonicContact OE2-NH1 2.77Å; E30-R94 PolarHBondContact OE2-NH1 3.17Å; E30-R94 IonicContact OE2-NH2 2.81Å; E30-R94 PolarHBondContact OE2-NH2 3.03Å; V90-R94 WeakPolarHBondContact O-CB 3.13Å; V90-R94 PolarHBondContact O-N 3.12Å; I91-R94 PolarHBondContact O-N 2.65Å; Y92-R94 VanDerWaalsContact C-N 3.3Å; R94-W98 WeakPolarHBondContact CA-O 3.26Å; R94-W98 WeakPolarHBondContact CG-O 3.35Å; R94-P99 WeakPolarHBondContact CG-O 3.4Å; R94-P99 PolarHBondContact NE-O 2.91Å; R94-P99 PolarHBondContact NH2-O 3.36Å; R94-L101 HydrophobicContact CB-CB 4.3Å; R94-L101 HydrophobicContact CB-CD2 4.38Å; R94-L101 WeakPolarHBondContact CD-O 3.36Å; R94-L101 HydrophobicContact CG-CB 4.35Å
95	V	96.4	Very high	93.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.03	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-41	177.3	170.3	0	0	0	0	112.3	K25 Q26 W33 A34 A37 V38 I91 Y92	K25-V95 CarbonylContact C-O 3.55Å; K25-V95 WeakPolarHBondContact CA-O 3.49Å; K25-V95 HydrophobicContact CG-CG1 4.28Å; Q26-V95 PolarHBondContact N-O 3.13Å; W33-V95 HydrophobicContact CH2-CG2 4.13Å; W33-V95 HydrophobicContact CZ3-CG2 3.73Å; A34-V95 HydrophobicContact CB-CG2 4.27Å; A37-V95 HydrophobicContact CB-CG2 4.48Å; V38-V95 HydrophobicContact CG2-CG1 4.12Å; I91-V95 WeakPolarHBondContact O-CG2 3.28Å; I91-V95 PolarHBondContact O-N 3Å; I91-V95 VanDerWaalsContact O-N 3.07Å; Y92-V95 PolarHBondContact O-N 3.27Å
96	W	97	Very high	93.7	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-113.5	-6.4	-168.1	-66.8	-55.2	0	0	0	117.1	L21 Q26 V38 L41 L55 L59 Y92 P128	L21-W96 HydrophobicContact CB-CZ2 4.3Å; L21-W96 HydrophobicContact CD2-CZ2 4.39Å; L21-W96 PolarHBondContact O-NE1 3.01Å; Q26-W96 VanDerWaalsContact CG-O 3.26Å; Q26-W96 WeakPolarHBondContact CG-O 3.43Å; V38-W96 HydrophobicContact CG2-CZ2 4Å; L41-W96 HydrophobicContact CD2-CH2 3.53Å; L41-W96 HydrophobicContact CD2-CZ3 4.15Å; L55-W96 HydrophobicContact CD1-CH2 4.37Å; L55-W96 HydrophobicContact CD1-CZ3 4.12Å; L55-W96 HydrophobicContact CD2-CH2 3.8Å; L55-W96 HydrophobicContact CD2-CZ2 4.45Å; L55-W96 HydrophobicContact CD2-CZ3 4.31Å; L59-W96 HydrophobicContact CD1-CD2 4.06Å; L59-W96 HydrophobicContact CD1-CG 4.36Å; L59-W96 HydrophobicContact CD1-CZ2 4.13Å; L59-W96 HydrophobicContact CD2-CB 3.79Å; L59-W96 HydrophobicContact CD2-CD2 3.85Å; L59-W96 HydrophobicContact CD2-CE3 4.25Å; L59-W96 HydrophobicContact CD2-CG 3.63Å; Y92-W96 HydrophobicContact CD1-CE3 4.43Å; Y92-W96 AromaticContact CD1-CH2 3.79Å; Y92-W96 HydrophobicContact CD1-CH2 3.79Å; Y92-W96 AromaticContact CD1-CZ3 3.65Å; Y92-W96 HydrophobicContact CD1-CZ3 3.65Å; Y92-W96 HydrophobicContact CE1-CH2 4.49Å; Y92-W96 HydrophobicContact CG-CH2 4.46Å; Y92-W96 AromaticContact CG-CZ3 3.91Å; Y92-W96 HydrophobicContact CG-CZ3 3.91Å; Y92-W96 VanDerWaalsContact O-CE3 3.29Å; Y92-W96 PolarHBondContact O-N 3.25Å; W96-P128 HydrophobicContact CB-CG 4.11Å; W96-P128 HydrophobicContact CE3-CG 4.14Å
97	R	95.4	Very high	93.9	Very high	74 Å²	74	29.5 Å²	29.5	28%	0.279	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.6	-44.5	-179.3	-67.6	-172.8	70.9	-169.3	1.1	114.9	C93 P128 Y129 Y131	C93-R97 PolarHBondContact O-N 3.22Å; R97-P128 VanDerWaalsContact CD-O 3.24Å; R97-P128 WeakPolarHBondContact CD-O 3.36Å; R97-P128 HydrophobicContact CG-CB 4Å; R97-P128 HydrophobicContact CG-CG 4.48Å; R97-P128 PolarHBondContact NH1-O 2.75Å; R97-Y129 HydrophobicContact CG-CE1 4.43Å; R97-Y131 PolarHBondContact NH1-O 2.77Å
98	W	95.2	Very high	93.9	Very high	38 Å²	38	32.6 Å²	32.6	14%	0.144	15%	0.154	C	C	.	.			trans	-135.7	84.2	-170.1	-58.3	-60.6	0	0	0	111.1	C93 R94 D100 L101 L107 R133	C93-W98 HydrophobicContact CB-CE3 3.98Å; C93-W98 HydrophobicContact CB-CZ3 4.11Å; C93-W98 PolarHBondContact O-N 2.79Å; R94-W98 WeakPolarHBondContact CA-O 3.26Å; R94-W98 WeakPolarHBondContact CG-O 3.35Å; W98-D100 PolarHBondContact O-N 3.03Å; W98-D100 VanDerWaalsContact O-N 3.12Å; W98-L101 HydrophobicContact CB-CB 3.91Å; W98-L101 WeakPolarHBondContact O-CB 3.15Å; W98-L101 PolarHBondContact O-N 2.79Å; W98-L107 HydrophobicContact CE3-CD2 3.71Å; W98-L107 HydrophobicContact CH2-CD2 4.18Å; W98-L107 HydrophobicContact CZ3-CD2 3.35Å; W98-R133 HydrophobicContact CD2-CB 4.28Å; W98-R133 HydrophobicContact CH2-CB 4.07Å; W98-R133 HydrophobicContact CZ2-CB 3.67Å
99	P	93	Very high	93.9	Very high	51 Å²	51	35.4 Å²	35.4	33%	0.331	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.1	-177.5	-27	36.6	0	0	0	114.2	Q26 R94	Q26-P99 VanDerWaalsContact C-CG 3.45Å; Q26-P99 HydrophobicContact CB-CG 3.45Å; Q26-P99 VanDerWaalsContact CB-CG 3.45Å; Q26-P99 WeakPolarHBondContact O-CG 3.19Å; R94-P99 WeakPolarHBondContact CG-O 3.4Å; R94-P99 PolarHBondContact NE-O 2.91Å; R94-P99 PolarHBondContact NH2-O 3.36Å
100	D	89.7	Confident	93.8	Very high	88 Å²	88	38.1 Å²	38.1	47%	0.471	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.6	179.9	69.4	-50.6	0	0	0	113.9	W98 Q102 R133	W98-D100 PolarHBondContact O-N 3.03Å; W98-D100 VanDerWaalsContact O-N 3.12Å; D100-Q102 WeakPolarHBondContact O-CG 2.95Å; D100-Q102 PolarHBondContact O-N 2.87Å; D100-R133 IonicContact OD1-CZ 2.65Å; D100-R133 IonicContact OD1-NH1 3.19Å; D100-R133 PolarHBondContact OD1-NH1 3.11Å; D100-R133 IonicContact OD1-NH2 3.41Å; D100-R133 IonicContact OD2-CZ 2.67Å; D100-R133 IonicContact OD2-NH1 3.17Å; D100-R133 PolarHBondContact OD2-NH1 3.38Å; D100-R133 IonicContact OD2-NH2 2.65Å; D100-R133 PolarHBondContact OD2-NH2 3.06Å
101	L	91.6	Very high	93.7	Very high	3 Å²	3	47 Å²	47	2%	0.016	23%	0.227	C	C	.	.			trans	-60	120.9	178.6	-176.1	74.2	0	0	0	111.2	V90 C93 R94 W98 E106 L107	V90-L101 HydrophobicContact CB-CD2 4.49Å; V90-L101 HydrophobicContact CG1-CD2 3.86Å; V90-L101 HydrophobicContact CG1-CG 4.24Å; C93-L101 HydrophobicContact CB-CD2 3.88Å; R94-L101 HydrophobicContact CB-CB 4.3Å; R94-L101 HydrophobicContact CB-CD2 4.38Å; R94-L101 WeakPolarHBondContact CD-O 3.36Å; R94-L101 HydrophobicContact CG-CB 4.35Å; W98-L101 HydrophobicContact CB-CB 3.91Å; W98-L101 WeakPolarHBondContact O-CB 3.15Å; W98-L101 PolarHBondContact O-N 2.79Å; L101-E106 HydrophobicContact CD1-CB 3.59Å; L101-E106 HydrophobicContact CD1-CG 4.35Å; L101-L107 HydrophobicContact CD1-CD2 3.96Å; L101-L107 HydrophobicContact CD1-CG 4.09Å; L101-L107 HydrophobicContact CD2-CD1 3.87Å; L101-L107 HydrophobicContact CD2-CD2 4.21Å; L101-L107 HydrophobicContact CD2-CG 4.16Å
102	Q	87.3	Confident	93.7	Very high	103 Å²	103	50.3 Å²	50.3	48%	0.481	25%	0.251	S	S	.	.			trans	-105.6	-35.6	-174.7	-50.4	-171.3	5.3	0	0	112	D100 E106 S302	D100-Q102 WeakPolarHBondContact O-CG 2.95Å; D100-Q102 PolarHBondContact O-N 2.87Å; Q102-E106 PolarHBondContact N-OE1 3.46Å; Q102-S302 PolarHBondContact OE1-OG 2.65Å
103	S	88.8	Confident	93.6	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	25%	0.254	C	S	.	.			trans	-136.9	159.6	-171.9	-165.5	0	0	0	0	114	H105 E106	S103-H105 VanDerWaalsContact C-N 3.33Å; S103-H105 PolarHBondContact OG-CD2 2.57Å; S103-E106 PolarHBondContact N-OE1 2.98Å; S103-E106 WeakPolarHBondContact O-CB 3.41Å; S103-E106 PolarHBondContact O-N 2.96Å
104	H	90.6	Very high	93.6	Very high	57 Å²	57	57.5 Å²	57.5	26%	0.264	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-72.9	-23.7	176.2	79.5	-73.9	0	0	0	113.5	L87 V90 E106 L107	L87-H104 HydrophobicContact CD1-CB 3.8Å; V90-H104 HydrophobicContact CG2-CB 3.52Å; H104-E106 PolarHBondContact O-N 3.26Å; H104-L107 PolarHBondContact O-N 2.88Å
105	H	90.8	Very high	93.6	Very high	26 Å²	26	56.7 Å²	56.7	12%	0.12	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.2	176.5	-49.8	-73.6	0	0	0	112.3	S103 L107 H346 Y348 V350 E357	S103-H105 VanDerWaalsContact C-N 3.33Å; S103-H105 PolarHBondContact OG-CD2 2.57Å; H105-L107 PolarHBondContact O-N 3.42Å; H105-H346 AromaticContact CD2-CE1 3.9Å; H105-H346 AromaticContact NE2-CE1 3.32Å; H105-H346 PolarHBondContact NE2-CE1 3.33Å; H105-H346 VanDerWaalsContact NE2-CE1 3.32Å; H105-H346 AromaticContact NE2-ND1 3.82Å; H105-Y348 HydrophobicContact CB-CD2 3.54Å; H105-Y348 HydrophobicContact CB-CE2 3.53Å; H105-Y348 HydrophobicContact CB-CG 4.25Å; H105-Y348 AromaticContact CD2-CD1 3.44Å; H105-Y348 VanDerWaalsContact CD2-CD1 3.44Å; H105-Y348 WeakPolarHBondContact CD2-CD1 2.98Å; H105-Y348 AromaticContact CD2-CD2 3.6Å; H105-Y348 AromaticContact CD2-CE1 3.68Å; H105-Y348 AromaticContact CD2-CE2 3.83Å; H105-Y348 AromaticContact CD2-CG 3.4Å; H105-Y348 AromaticContact CD2-CZ 3.87Å; H105-Y348 AromaticContact CE1-CD1 3.81Å; H105-Y348 AromaticContact CE1-CE1 3.27Å; H105-Y348 WeakPolarHBondContact CE1-CE1 3.47Å; H105-Y348 AromaticContact CE1-CZ 3.42Å; H105-Y348 VanDerWaalsContact CE1-CZ 3.42Å; H105-Y348 AromaticContact CG-CD1 3.99Å; H105-Y348 AromaticContact CG-CD2 3.5Å; H105-Y348 VanDerWaalsContact CG-CD2 3.5Å; H105-Y348 AromaticContact CG-CE1 3.87Å; H105-Y348 AromaticContact CG-CE2 3.36Å; H105-Y348 AromaticContact CG-CG 3.81Å; H105-Y348 AromaticContact CG-CZ 3.56Å; H105-Y348 AromaticContact ND1-CE1 3.64Å; H105-Y348 AromaticContact ND1-CE2 3.54Å; H105-Y348 AromaticContact ND1-CZ 3.27Å; H105-Y348 VanDerWaalsContact ND1-CZ 3.27Å; H105-Y348 AromaticContact NE2-CD1 3.39Å; H105-Y348 WeakPolarHBondContact NE2-CD1 3.44Å; H105-Y348 AromaticContact NE2-CE1 3.37Å; H105-Y348 WeakPolarHBondContact NE2-CE1 3.12Å; H105-Y348 AromaticContact NE2-CG 3.88Å; H105-Y348 AromaticContact NE2-CZ 3.86Å; H105-V350 HydrophobicContact CB-CG1 4.39Å; H105-E357 IonicContact CE1-OE2 2.69Å; H105-E357 PolarHBondContact CE1-OE2 3.24Å; H105-E357 IonicContact NE2-OE2 2.74Å
106	E	93.8	Very high	93.6	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.056	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.3	-6.9	171.2	-61.6	179.2	-100.5	0	0	113.2	L101 Q102 S103 H104 R133 V134 V350	L101-E106 HydrophobicContact CD1-CB 3.59Å; L101-E106 HydrophobicContact CD1-CG 4.35Å; Q102-E106 PolarHBondContact N-OE1 3.46Å; S103-E106 PolarHBondContact N-OE1 2.98Å; S103-E106 WeakPolarHBondContact O-CB 3.41Å; S103-E106 PolarHBondContact O-N 2.96Å; H104-E106 PolarHBondContact O-N 3.26Å; E106-R133 CarbonylContact O-C 3.56Å; E106-R133 VanDerWaalsContact O-CA 3.24Å; E106-R133 WeakPolarHBondContact O-CA 3.37Å; E106-R133 WeakPolarHBondContact O-CG 3.37Å; E106-R133 IonicContact OE2-CZ 3.89Å; E106-R133 IonicContact OE2-NE 3.48Å; E106-R133 PolarHBondContact OE2-NE 3.37Å; E106-R133 IonicContact OE2-NH2 3.94Å; E106-R133 PolarHBondContact OE2-NH2 3.17Å; E106-V134 PolarHBondContact O-N 3.44Å; E106-V350 HydrophobicContact CB-CG2 4.46Å; E106-V350 HydrophobicContact CG-CG2 4.17Å
107	L	95.2	Very high	93.2	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133	-180	-61.8	-176.9	0	0	0	111.8	V90 C93 W98 L101 H104 H105 Y131 R132	V90-L107 HydrophobicContact CG2-CD1 4.43Å; C93-L107 HydrophobicContact CB-CD1 3.97Å; W98-L107 HydrophobicContact CE3-CD2 3.71Å; W98-L107 HydrophobicContact CH2-CD2 4.18Å; W98-L107 HydrophobicContact CZ3-CD2 3.35Å; L101-L107 HydrophobicContact CD1-CD2 3.96Å; L101-L107 HydrophobicContact CD1-CG 4.09Å; L101-L107 HydrophobicContact CD2-CD1 3.87Å; L101-L107 HydrophobicContact CD2-CD2 4.21Å; L101-L107 HydrophobicContact CD2-CG 4.16Å; H104-L107 PolarHBondContact O-N 2.88Å; H105-L107 PolarHBondContact O-N 3.42Å; L107-Y131 HydrophobicContact CB-CD1 4.36Å; L107-R132 WeakPolarHBondContact CA-O 3.3Å
108	K	94.3	Very high	92.7	Very high	95 Å²	95	58.9 Å²	58.9	41%	0.413	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.4	165.1	-70.8	178.8	-179.5	176.9	0	109.1	Y131 R132 V134	K108-Y131 CarbonylContact O-C 3.53Å; K108-Y131 WeakPolarHBondContact O-CA 3.32Å; K108-R132 HydrophobicContact CB-CG 4.12Å; K108-R132 PolarHBondContact N-O 3.42Å; K108-R132 PolarHBondContact O-N 3.07Å; K108-V134 HydrophobicContact CD-CG2 3.92Å; K108-V134 HydrophobicContact CG-CG2 3.82Å
109	P	95.6	Very high	92.3	Very high	64 Å²	64	59 Å²	59	42%	0.416	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	151.8	172.2	29.4	-34.4	0	0	0	110.2	P116 Y131	P109-P116 HydrophobicContact CB-CB 3.56Å; P109-P116 HydrophobicContact CG-CB 3.96Å; P109-Y131 HydrophobicContact CB-CD1 4.32Å; P109-Y131 HydrophobicContact CB-CE1 4.24Å
110	L	95.3	Very high	91.8	Very high	60 Å²	60	64.1 Å²	64.1	31%	0.314	34%	0.339	S	S	.	.			trans	-82.8	155.7	166.9	-60.5	-174.9	0	0	0	110.5	C112 C113 Y129 H130 R132	L110-C112 PolarHBondContact O-N 2.79Å; L110-C113 WeakPolarHBondContact O-CB 3.44Å; L110-C113 PolarHBondContact O-N 3.13Å; L110-Y129 WeakPolarHBondContact CD1-O 3.26Å; L110-H130 PolarHBondContact N-O 2.84Å; L110-R132 HydrophobicContact CD2-CB 3.98Å; L110-R132 HydrophobicContact CD2-CG 3.95Å
111	E	93.4	Very high	91.8	Very high	205 Å²	205	63.5 Å²	63.5	96%	0.958	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	-179.9	-63.9	175.4	-179.1	0	0	113	C113	E111-C113 PolarHBondContact O-N 3.38Å
112	C	94.1	Very high	91.9	Very high	82 Å²	82	72.6 Å²	72.6	55%	0.554	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.8	173.9	62.4	0	0	0	0	114.6	L110 E114	L110-C112 PolarHBondContact O-N 2.79Å; C112-E114 PolarHBondContact O-N 3.03Å
113	C	96	Very high	92.2	Very high	10 Å²	10	70.2 Å²	70.2	7%	0.068	36%	0.362	C	S	.	.			trans	-87.3	107.3	177.9	-169.8	0	0	0	0	110.1	L110 E111 F115 P116 H130	L110-C113 WeakPolarHBondContact O-CB 3.44Å; L110-C113 PolarHBondContact O-N 3.13Å; E111-C113 PolarHBondContact O-N 3.38Å; C113-F115 VanDerWaalsContact C-N 3.35Å; C113-P116 HydrophobicContact CB-CB 4.41Å; C113-P116 WeakPolarHBondContact O-CD 3.46Å; C113-H130 HydrophobicContact CB-CB 4.05Å
114	E	96.1	Very high	92.6	Very high	140 Å²	140	69.7 Å²	69.7	65%	0.654	36%	0.358	S	S	*	.	S	Bend	trans	-72.6	-26.4	176.9	-65.2	171	-171.2	0	0	113	C68 C112 P116 Q121	C68-E114 PolarHBondContact SG-N 3.38Å; C112-E114 PolarHBondContact O-N 3.03Å; E114-P116 WeakPolarHBondContact O-CD 3.29Å; E114-Q121 PolarHBondContact O-NE2 3.29Å
115	F	96.6	Very high	92.9	Very high	48 Å²	48	67 Å²	67	21%	0.211	35%	0.345	C	S	.	.	S	Bend	trans	-119.3	48.6	-175.3	-59	-95	0	0	0	113	C68 T70 C113 Q121 E123 C125	C68-F115 HydrophobicContact CB-CD2 3.67Å; C68-F115 HydrophobicContact CB-CE2 4.39Å; T70-F115 HydrophobicContact CG2-CB 3.78Å; T70-F115 HydrophobicContact CG2-CD1 4.21Å; T70-F115 HydrophobicContact CG2-CD2 3.78Å; T70-F115 HydrophobicContact CG2-CE2 4.48Å; T70-F115 HydrophobicContact CG2-CG 3.65Å; C113-F115 VanDerWaalsContact C-N 3.35Å; F115-Q121 VanDerWaalsContact CE1-OE1 3.3Å; F115-E123 HydrophobicContact CD1-CB 3.94Å; F115-E123 HydrophobicContact CE1-CB 4.37Å; F115-C125 HydrophobicContact CB-CB 4.15Å; F115-C125 VanDerWaalsContact O-CB 3.31Å; F115-C125 WeakPolarHBondContact O-CB 3.44Å; F115-C125 PolarHBondContact O-N 3.32Å
116	P	95.3	Very high	93.2	Very high	26 Å²	26	65.7 Å²	65.7	17%	0.169	34%	0.34	C	S	.	.			trans	-70.7	153.2	-175	32.6	-33.6	0	0	0	109.8	P109 C113 E114 G118 S119	P109-P116 HydrophobicContact CB-CB 3.56Å; P109-P116 HydrophobicContact CG-CB 3.96Å; C113-P116 HydrophobicContact CB-CB 4.41Å; C113-P116 WeakPolarHBondContact O-CD 3.46Å; E114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-G118 PolarHBondContact O-N 3.2Å; P116-G118 VanDerWaalsContact O-N 3.07Å; P116-S119 VanDerWaalsContact O-CB 3.29Å; P116-S119 WeakPolarHBondContact O-CB 3.47Å; P116-S119 PolarHBondContact O-N 3.06Å; P116-S119 PolarHBondContact O-OG 3.37Å
117	F	88.4	Confident	93.3	Very high	39 Å²	39	65.1 Å²	65.1	17%	0.171	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-57.7	-32.2	-170.9	172.6	-105.3	0	0	0	114.1	R73 L87 H89 S119 V124	R73-F117 PolarHBondContact NH2-O 3.21Å; L87-F117 HydrophobicContact CD1-CE1 4.01Å; L87-F117 HydrophobicContact CD1-CZ 3.95Å; L87-F117 HydrophobicContact CD2-CE1 4.37Å; L87-F117 HydrophobicContact CD2-CE2 3.75Å; L87-F117 HydrophobicContact CD2-CZ 3.48Å; L87-F117 VanDerWaalsContact CD2-CZ 3.48Å; L87-F117 HydrophobicContact CG-CZ 4.26Å; H89-F117 AromaticContact CE1-CD1 3.33Å; H89-F117 WeakPolarHBondContact CE1-CD1 3.33Å; H89-F117 AromaticContact CE1-CD2 3.56Å; H89-F117 AromaticContact CE1-CE1 3.91Å; H89-F117 AromaticContact CE1-CG 3.13Å; H89-F117 WeakPolarHBondContact CE1-CG 3.47Å; H89-F117 WeakPolarHBondContact ND1-CB 3.49Å; H89-F117 AromaticContact ND1-CD2 3.53Å; H89-F117 AromaticContact ND1-CG 3.4Å; H89-F117 WeakPolarHBondContact ND1-CG 3.09Å; H89-F117 AromaticContact NE2-CD1 3.98Å; H89-F117 AromaticContact NE2-CG 3.97Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.93Å; F117-V124 HydrophobicContact CB-CG2 4.16Å; F117-V124 HydrophobicContact CD2-CG2 4.04Å
118	G	85.9	Confident	93.4	Very high	64 Å²	64	64.5 Å²	64.5	66%	0.66	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-74.1	-13.6	178.7	0	0	0	0	0	115.5	P116 K120	P116-G118 PolarHBondContact O-N 3.2Å; P116-G118 VanDerWaalsContact O-N 3.07Å; G118-K120 PolarHBondContact O-N 2.95Å
119	S	86.1	Confident	93.5	Very high	40 Å²	40	62 Å²	62	28%	0.28	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-68.4	-3.6	-169.8	62.7	0	0	0	0	116.4	P116 F117 Q121	P116-S119 VanDerWaalsContact O-CB 3.29Å; P116-S119 WeakPolarHBondContact O-CB 3.47Å; P116-S119 PolarHBondContact O-N 3.06Å; P116-S119 PolarHBondContact O-OG 3.37Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.93Å; S119-Q121 PolarHBondContact O-N 3.5Å; S119-Q121 WeakPolarHBondContact OG-CG 3.19Å
120	K	82.1	Confident	93.6	Very high	159 Å²	159	59.1 Å²	59.1	69%	0.691	30%	0.303	S	S	*	.			trans	54.8	8.9	-173.1	-61.7	-178.9	-179.5	175.3	0	115.4	G118	G118-K120 PolarHBondContact O-N 2.95Å
121	Q	90.4	Very high	93.6	Very high	74 Å²	74	56.4 Å²	56.4	35%	0.346	29%	0.288	S	S	.	.			trans	-65.7	167.2	179	-65	178	27.7	0	0	112.7	R73 E114 F115 S119 E123	R73-Q121 WeakPolarHBondContact CD-O 3.33Å; E114-Q121 PolarHBondContact O-NE2 3.29Å; F115-Q121 VanDerWaalsContact CE1-OE1 3.3Å; S119-Q121 PolarHBondContact O-N 3.5Å; S119-Q121 WeakPolarHBondContact OG-CG 3.19Å; Q121-E123 VanDerWaalsContact C-N 3.33Å
122	K	93.4	Very high	93.7	Very high	194 Å²	194	53.2 Å²	53.2	84%	0.843	27%	0.267	S	S	*	.	S	Bend	trans	-71.1	-26.8	178.7	-67.4	-179.6	179.7	176.1	0	113.3	R73	R73-K122 PolarHBondContact N-O 3.25Å
123	E	94.7	Very high	93.7	Very high	53 Å²	53	51.8 Å²	51.8	25%	0.248	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	160.6	174.9	-66.3	-158.2	81.1	0	0	110.8	K48 T70 I71 F115 Q121	K48-E123 VanDerWaalsContact NZ-CD 3.3Å; K48-E123 IonicContact NZ-OE1 2.8Å; K48-E123 PolarHBondContact NZ-OE1 3.06Å; K48-E123 IonicContact NZ-OE2 2.72Å; K48-E123 PolarHBondContact NZ-OE2 3.04Å; T70-E123 WeakPolarHBondContact CB-OE1 3.14Å; T70-E123 HydrophobicContact CG2-CB 4.49Å; T70-E123 VanDerWaalsContact OG1-CD 3.26Å; T70-E123 PolarHBondContact OG1-OE1 2.97Å; I71-E123 CarbonylContact O-C 3.56Å; I71-E123 WeakPolarHBondContact O-CA 3.47Å; F115-E123 HydrophobicContact CD1-CB 3.94Å; F115-E123 HydrophobicContact CE1-CB 4.37Å; Q121-E123 VanDerWaalsContact C-N 3.33Å
124	V	95.9	Very high	93.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.6	173.3	54.4	0	0	0	0	109.9	T70 I71 R73 P88 F117	T70-V124 CarbonylContact C-O 3.43Å; T70-V124 VanDerWaalsContact CA-O 3.23Å; T70-V124 WeakPolarHBondContact CA-O 3.26Å; I71-V124 HydrophobicContact CG1-CG1 3.9Å; I71-V124 PolarHBondContact N-O 2.91Å; I71-V124 PolarHBondContact O-N 3.41Å; R73-V124 HydrophobicContact CG-CB 3.72Å; R73-V124 HydrophobicContact CG-CG1 3.67Å; P88-V124 HydrophobicContact CB-CG1 4.24Å; P88-V124 HydrophobicContact CG-CG1 4.15Å; F117-V124 HydrophobicContact CB-CG2 4.16Å; F117-V124 HydrophobicContact CD2-CG2 4.04Å
125	C	97.3	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.6	173.3	-165.4	0	0	0	0	111.2	C68 V69 F115 H130 Y131	C68-C125 HydrophobicContact CB-CB 4.4Å; V69-C125 CarbonylContact O-C 3.58Å; V69-C125 WeakPolarHBondContact O-CA 3.32Å; F115-C125 HydrophobicContact CB-CB 4.15Å; F115-C125 VanDerWaalsContact O-CB 3.31Å; F115-C125 WeakPolarHBondContact O-CB 3.44Å; F115-C125 PolarHBondContact O-N 3.32Å; C125-H130 PolarHBondContact SG-ND1 2.81Å; C125-H130 VanDerWaalsContact SG-ND1 3.4Å; C125-Y131 PolarHBondContact O-OH 3.33Å
126	I	97.1	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.			trans	-121.4	2.2	173.7	62.6	71.5	0	0	0	112.6	L41 L55 V69 I71 P88 Y92 P128	L41-I126 HydrophobicContact CD1-CD1 4.18Å; L41-I126 HydrophobicContact CD1-CG1 4.09Å; L41-I126 HydrophobicContact CD2-CD1 3.93Å; L55-I126 HydrophobicContact CD1-CD1 4.17Å; L55-I126 HydrophobicContact CD2-CD1 4.47Å; V69-I126 HydrophobicContact CB-CD1 3.97Å; V69-I126 HydrophobicContact CG1-CD1 3.51Å; V69-I126 HydrophobicContact CG1-CG1 4.21Å; V69-I126 PolarHBondContact O-N 3.16Å; I71-I126 HydrophobicContact CD1-CG2 4.2Å; I71-I126 HydrophobicContact CG1-CG2 4.05Å; I71-I126 HydrophobicContact CG2-CG1 4.36Å; P88-I126 HydrophobicContact CB-CG2 3.74Å; Y92-I126 HydrophobicContact CD2-CB 3.68Å; Y92-I126 HydrophobicContact CD2-CG1 4.26Å; Y92-I126 HydrophobicContact CD2-CG2 3.7Å; Y92-I126 HydrophobicContact CE2-CG2 4.26Å; Y92-I126 HydrophobicContact CG-CB 4.25Å; I126-P128 WeakPolarHBondContact O-CD 3.42Å
127	N	97.1	Very high	91.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.			trans	-61.7	115.6	172.6	178.7	-16	0	0	0	108.4	S66 K67 V69 Y129 H130 Y131	S66-N127 PolarHBondContact OG-ND2 3.23Å; K67-N127 PolarHBondContact O-ND2 2.79Å; V69-N127 HydrophobicContact CB-CB 4.21Å; V69-N127 HydrophobicContact CG2-CB 4.29Å; N127-Y129 PolarHBondContact O-N 2.96Å; N127-Y129 PolarHBondContact OD1-N 2.84Å; N127-H130 HydrophobicContact CB-CB 4.3Å; N127-H130 PolarHBondContact ND2-CD2 3.38Å; N127-H130 PolarHBondContact ND2-NE2 2.64Å; N127-H130 WeakPolarHBondContact O-CB 2.93Å; N127-H130 PolarHBondContact O-N 2.9Å; N127-H130 VanDerWaalsContact O-N 3.07Å; N127-Y131 WeakPolarHBondContact O-CD2 3.38Å
128	P	96.5	Very high	91.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-72.1	-14.4	-172	32.7	-38.3	0	0	0	112.8	L59 W96 R97 I126	L59-P128 HydrophobicContact CD2-CG 3.91Å; W96-P128 HydrophobicContact CB-CG 4.11Å; W96-P128 HydrophobicContact CE3-CG 4.14Å; R97-P128 VanDerWaalsContact CD-O 3.24Å; R97-P128 WeakPolarHBondContact CD-O 3.36Å; R97-P128 HydrophobicContact CG-CB 4Å; R97-P128 HydrophobicContact CG-CG 4.48Å; R97-P128 PolarHBondContact NH1-O 2.75Å; I126-P128 WeakPolarHBondContact O-CD 3.42Å
129	Y	96.6	Very high	91.5	Very high	42 Å²	42	58.5 Å²	58.5	17%	0.165	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.9	-3.5	173.4	-60.1	-75.2	0	0	0	113.5	A58 L59 P62 R97 L110 N127	A58-Y129 HydrophobicContact CB-CD2 4.44Å; A58-Y129 VanDerWaalsContact O-CD2 3.28Å; A58-Y129 WeakPolarHBondContact O-CD2 3.39Å; A58-Y129 WeakPolarHBondContact O-CE2 3.37Å; L59-Y129 HydrophobicContact CD2-CE2 4.23Å; P62-Y129 HydrophobicContact CB-CE1 3.75Å; R97-Y129 HydrophobicContact CG-CE1 4.43Å; L110-Y129 WeakPolarHBondContact CD1-O 3.26Å; N127-Y129 PolarHBondContact O-N 2.96Å; N127-Y129 PolarHBondContact OD1-N 2.84Å
130	H	97	Very high	91.5	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.019	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-87.3	6.1	170.9	-75.5	-155.6	0	0	0	113.2	S66 K67 C68 L110 C113 C125 N127	S66-H130 PolarHBondContact O-CE1 3.46Å; S66-H130 PolarHBondContact O-NE2 3.36Å; K67-H130 PolarHBondContact O-CE1 3.45Å; C68-H130 PolarHBondContact N-CE1 3.28Å; C68-H130 VanDerWaalsContact N-CE1 3.31Å; C68-H130 PolarHBondContact SG-CE1 2.82Å; C68-H130 PolarHBondContact SG-ND1 3.11Å; L110-H130 PolarHBondContact N-O 2.84Å; C113-H130 HydrophobicContact CB-CB 4.05Å; C125-H130 PolarHBondContact SG-ND1 2.81Å; C125-H130 VanDerWaalsContact SG-ND1 3.4Å; N127-H130 HydrophobicContact CB-CB 4.3Å; N127-H130 PolarHBondContact ND2-CD2 3.38Å; N127-H130 PolarHBondContact ND2-NE2 2.64Å; N127-H130 WeakPolarHBondContact O-CB 2.93Å; N127-H130 PolarHBondContact O-N 2.9Å; N127-H130 VanDerWaalsContact O-N 3.07Å
131	Y	96.4	Very high	91.7	Very high	4 Å²	4	56 Å²	56	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146	176.1	-60.5	-89.2	0	0	0	109.6	H89 R97 L107 K108 P109 C125 N127	H89-Y131 HydrophobicContact CB-CE1 4.15Å; H89-Y131 HydrophobicContact CB-CE2 3.8Å; H89-Y131 WeakPolarHBondContact CB-OH 3.24Å; H89-Y131 AromaticContact CD2-CE1 4Å; R97-Y131 PolarHBondContact NH1-O 2.77Å; L107-Y131 HydrophobicContact CB-CD1 4.36Å; K108-Y131 CarbonylContact O-C 3.53Å; K108-Y131 WeakPolarHBondContact O-CA 3.32Å; P109-Y131 HydrophobicContact CB-CD1 4.32Å; P109-Y131 HydrophobicContact CB-CE1 4.24Å; C125-Y131 PolarHBondContact O-OH 3.33Å; N127-Y131 WeakPolarHBondContact O-CD2 3.38Å
132	R	94.8	Very high	91.6	Very high	137 Å²	137	52.5 Å²	52.5	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146.8	164.6	61.9	-176.7	-178.4	117.4	-11.6	109.4	L107 K108 L110	L107-R132 WeakPolarHBondContact CA-O 3.3Å; K108-R132 HydrophobicContact CB-CG 4.12Å; K108-R132 PolarHBondContact N-O 3.42Å; K108-R132 PolarHBondContact O-N 3.07Å; L110-R132 HydrophobicContact CD2-CB 3.98Å; L110-R132 HydrophobicContact CD2-CG 3.95Å
133	R	94.3	Very high	91.3	Very high	52 Å²	52	47 Å²	47	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.9	169.5	-159.5	169.5	-175	177	1.2	109.3	W98 D100 E106	W98-R133 HydrophobicContact CD2-CB 4.28Å; W98-R133 HydrophobicContact CH2-CB 4.07Å; W98-R133 HydrophobicContact CZ2-CB 3.67Å; D100-R133 IonicContact OD1-CZ 2.65Å; D100-R133 IonicContact OD1-NH1 3.19Å; D100-R133 PolarHBondContact OD1-NH1 3.11Å; D100-R133 IonicContact OD1-NH2 3.41Å; D100-R133 IonicContact OD2-CZ 2.67Å; D100-R133 IonicContact OD2-NH1 3.17Å; D100-R133 PolarHBondContact OD2-NH1 3.38Å; D100-R133 IonicContact OD2-NH2 2.65Å; D100-R133 PolarHBondContact OD2-NH2 3.06Å; E106-R133 CarbonylContact O-C 3.56Å; E106-R133 VanDerWaalsContact O-CA 3.24Å; E106-R133 WeakPolarHBondContact O-CA 3.37Å; E106-R133 WeakPolarHBondContact O-CG 3.37Å; E106-R133 IonicContact OE2-CZ 3.89Å; E106-R133 IonicContact OE2-NE 3.48Å; E106-R133 PolarHBondContact OE2-NE 3.37Å; E106-R133 IonicContact OE2-NH2 3.94Å; E106-R133 PolarHBondContact OE2-NH2 3.17Å
134	V	92.3	Very high	90.8	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.158	23%	0.234	C	C	.	.			trans	-81.1	114.5	168.5	-177.6	0	0	0	0	107.9	E106 K108 V350	E106-V134 PolarHBondContact O-N 3.44Å; K108-V134 HydrophobicContact CD-CG2 3.92Å; K108-V134 HydrophobicContact CG-CG2 3.82Å; V134-V350 HydrophobicContact CB-CG2 3.71Å; V134-V350 HydrophobicContact CG1-CG2 3.83Å; V134-V350 HydrophobicContact CG2-CG2 4.27Å
135	E	84.8	Confident	90	Very high	170 Å²	170	45.8 Å²	45.8	79%	0.794	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-81.7	146.3	177.2	-68.8	164.8	-171.3	0	0	110.5	G351	E135-G351 WeakPolarHBondContact O-CA 3.33Å
136	T	81.2	Confident	88.5	Confident	50 Å²	50	51.9 Å²	51.9	31%	0.307	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-81.4	124.2	169.3	-60.2	0	0	0	0	108.5
137	P	81	Confident	86.6	Confident	55 Å²	55	58.5 Å²	58.5	36%	0.357	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-67	139.7	176.3	29.1	-33.6	0	0	0	110.2	L139 G351	P137-L139 PolarHBondContact O-N 3.36Å; P137-G351 WeakPolarHBondContact CD-O 3.39Å
138	V	84.1	Confident	84.4	Confident	145 Å²	145	62 Å²	62	88%	0.879	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.2	122.6	172.1	-178.2	0	0	0	0	108.5
139	L	87.7	Confident	82.1	Confident	22 Å²	22	70.3 Å²	70.3	12%	0.115	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-86.3	133.5	179.9	-60	173.5	0	0	0	109.7	P137 Y276 N396 Q397 A400 W457	P137-L139 PolarHBondContact O-N 3.36Å; L139-Y276 HydrophobicContact CD1-CD1 3.9Å; L139-Y276 HydrophobicContact CD1-CD2 4.2Å; L139-Y276 HydrophobicContact CD1-CE1 4.22Å; L139-Y276 HydrophobicContact CD1-CE2 4.49Å; L139-Y276 HydrophobicContact CD1-CG 3.87Å; L139-N396 HydrophobicContact CD1-CB 3.85Å; L139-Q397 HydrophobicContact CD2-CB 4.17Å; L139-Q397 HydrophobicContact CD2-CG 4.47Å; L139-A400 HydrophobicContact CD2-CB 4.48Å; L139-W457 HydrophobicContact CB-CH2 3.82Å; L139-W457 HydrophobicContact CB-CZ3 4.2Å; L139-W457 HydrophobicContact CD1-CH2 4.36Å; L139-W457 HydrophobicContact CD1-CZ3 3.86Å
140	P	86.8	Confident	79.8	Confident	84 Å²	84	75.1 Å²	75.1	55%	0.545	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.3	147.6	178.8	29.6	-35	0	0	0	110.8	W457	P140-W457 WeakPolarHBondContact O-CH2 3.27Å; P140-W457 VanDerWaalsContact O-CZ2 3.27Å; P140-W457 WeakPolarHBondContact O-CZ2 3.38Å
141	P	86.6	Confident	77.5	Confident	62 Å²	62	79.4 Å²	79.4	40%	0.403	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-66.1	144.3	176.3	28.8	-34.8	0	0	0	111.3	P273 V274	P141-P273 HydrophobicContact CB-CB 4Å; P141-P273 HydrophobicContact CG-CB 4.36Å; P141-V274 WeakPolarHBondContact CA-O 3.28Å
142	V	88.9	Confident	75.1	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.012	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.5	172.3	170.7	0	0	0	0	108.8	V144 P273 V274 L403 A404 V407 W457 V461	V142-V144 HydrophobicContact CG1-CG2 4.4Å; V142-P273 CarbonylContact O-C 3.59Å; V142-V274 HydrophobicContact CB-CB 4.49Å; V142-V274 PolarHBondContact N-O 3.12Å; V142-V274 PolarHBondContact O-N 3.27Å; V142-L403 HydrophobicContact CG1-CG 4.44Å; V142-L403 HydrophobicContact CG2-CB 4.4Å; V142-L403 HydrophobicContact CG2-CD2 4Å; V142-L403 HydrophobicContact CG2-CG 3.9Å; V142-A404 HydrophobicContact CG2-CB 4.3Å; V142-V407 HydrophobicContact CG1-CG2 3.76Å; V142-W457 HydrophobicContact CG2-CH2 4.43Å; V142-W457 HydrophobicContact CG2-CZ2 3.68Å; V142-V461 HydrophobicContact CB-CG2 4.07Å; V142-V461 HydrophobicContact CG1-CG1 4.44Å; V142-V461 HydrophobicContact CG1-CG2 3.81Å
143	L	87	Confident	72.8	Confident	79 Å²	79	85.4 Å²	85.4	41%	0.414	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.8	178.9	-60.9	-176	0	0	0	110.1	F271 R272 P273	L143-F271 HydrophobicContact CB-CB 4.18Å; L143-F271 HydrophobicContact CB-CD1 3.86Å; L143-F271 HydrophobicContact CB-CG 4.24Å; L143-R272 WeakPolarHBondContact CA-O 3.5Å; L143-P273 HydrophobicContact CD2-CB 4.01Å
144	V	83.8	Confident	70.7	Confident	3 Å²	3	88 Å²	88	2%	0.018	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.3	178.7	-175.4	0	0	0	0	110.3	V142 F271 R272 V274 V407 V461 Q464 M465	V142-V144 HydrophobicContact CG1-CG2 4.4Å; V144-F271 CarbonylContact O-C 3.49Å; V144-F271 WeakPolarHBondContact O-CA 3.34Å; V144-R272 PolarHBondContact N-O 3.3Å; V144-R272 PolarHBondContact O-N 2.82Å; V144-V274 HydrophobicContact CG2-CG2 3.8Å; V144-V407 HydrophobicContact CG1-CG1 4.44Å; V144-V407 HydrophobicContact CG2-CG1 4.41Å; V144-V461 HydrophobicContact CG2-CG1 3.99Å; V144-V461 HydrophobicContact CG2-CG2 4.43Å; V144-Q464 HydrophobicContact CB-CB 4.41Å; V144-Q464 HydrophobicContact CG1-CB 4.04Å; V144-M465 HydrophobicContact CG1-CG 3.75Å
145	P	79.1	Confident	68.4	Low	24 Å²	24	90.3 Å²	90.3	16%	0.156	48%	0.48	C	S	.	.			trans	-61.5	144.4	172.6	-19.8	30.7	0	0	0	111.6	F271 V407	P145-F271 HydrophobicContact CG-CD1 4.28Å; P145-F271 HydrophobicContact CG-CE1 3.99Å; P145-V407 VanDerWaalsContact CD-CG1 3.48Å
146	R	66.1	Low	66.7	Low	128 Å²	128	84.6 Å²	84.6	48%	0.483	46%	0.455	S	S	.	.	S	Bend	trans	-85.8	-14.1	176	-83.1	-178.2	-144.4	-170.2	2.2	114.7	N270 R272	R146-N270 HydrophobicContact CB-CB 4.29Å; R146-N270 WeakPolarHBondContact CD-O 3.33Å; R146-N270 HydrophobicContact CG-CB 4.37Å; R146-N270 WeakPolarHBondContact CG-O 3.18Å; R146-N270 PolarHBondContact NE-O 3.07Å; R146-R272 HydrophobicContact CG-CG 4.42Å
147	H	57	Low	65.2	Low	140 Å²	140	84.7 Å²	84.7	65%	0.648	45%	0.453	S	S	*	.			trans	-128.4	103.2	-175.8	-58.7	-28.8	0	0	0	108.3	E149	H147-E149 PolarHBondContact O-N 3.32Å
148	S	51.4	Low	63.3	Low	74 Å²	74	83.8 Å²	83.8	52%	0.517	45%	0.45	S	S	.	.			trans	-78	66.2	175.3	-64.8	0	0	0	0	110.6	F150	S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.05Å; S148-F150 VanDerWaalsContact O-N 3.08Å
149	E	48.1	Very low	61.7	Low	174 Å²	174	84.8 Å²	84.8	81%	0.813	44%	0.443	S	S	*	.			trans	-74.2	94	157.7	-65.1	-144.5	175.2	0	0	107.5	H147 N151	H147-E149 PolarHBondContact O-N 3.32Å; E149-N151 PolarHBondContact O-N 3.09Å; E149-N151 VanDerWaalsContact O-N 3.12Å
150	F	47.8	Very low	59.7	Low	142 Å²	142	88 Å²	88	62%	0.623	46%	0.456	S	S	*	.			trans	-55.2	115.7	-179.9	173	-102.3	0	0	0	110.1	S148 P152	S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.05Å; S148-F150 VanDerWaalsContact O-N 3.08Å; F150-P152 HydrophobicContact CD1-CB 4.24Å; F150-P152 HydrophobicContact CE1-CB 3.77Å; F150-P152 WeakPolarHBondContact O-CD 3.3Å
151	N	47.6	Very low	57.5	Low	95 Å²	95	90.9 Å²	90.9	51%	0.508	46%	0.456	S	S	.	.			trans	-87.4	101.7	174.2	-169.4	-34.3	0	0	0	109.7	E149 H153 L154	E149-N151 PolarHBondContact O-N 3.09Å; E149-N151 VanDerWaalsContact O-N 3.12Å; N151-H153 PolarHBondContact O-N 3.43Å; N151-H153 WeakPolarHBondContact OD1-CB 3.44Å; N151-H153 PolarHBondContact OD1-N 3.43Å; N151-L154 PolarHBondContact O-N 3.37Å
152	P	47.8	Very low	55.2	Low	90 Å²	90	92.1 Å²	92.1	58%	0.584	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13.7	-173.5	28.8	-37.5	0	0	0	113.7	F150	F150-P152 HydrophobicContact CD1-CB 4.24Å; F150-P152 HydrophobicContact CE1-CB 3.77Å; F150-P152 WeakPolarHBondContact O-CD 3.3Å
153	H	45.3	Very low	52.8	Low	176 Å²	176	94.7 Å²	94.7	82%	0.815	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.7	-176.6	-107.4	-87.8	0	0	0	114.3	N151 S155	N151-H153 PolarHBondContact O-N 3.43Å; N151-H153 WeakPolarHBondContact OD1-CB 3.44Å; N151-H153 PolarHBondContact OD1-N 3.43Å; H153-S155 PolarHBondContact O-N 2.89Å
154	L	49.8	Very low	50.5	Low	106 Å²	106	94.9 Å²	94.9	56%	0.555	48%	0.483	S	S	*	.			trans	-97.7	53.2	179.7	-74.7	166.2	0	0	0	112.1	N151 L156 H409	N151-L154 PolarHBondContact O-N 3.37Å; L154-L156 PolarHBondContact O-N 3.46Å; L154-H409 PolarHBondContact O-CD2 2.81Å; L154-H409 VanDerWaalsContact O-CD2 3.24Å
155	S	44.3	Very low	48.2	Very low	76 Å²	76	101 Å²	101	53%	0.531	52%	0.515	S	S	.	.			trans	-76.1	65.8	179.2	-165	0	0	0	0	113.2	H153 L157 A158	H153-S155 PolarHBondContact O-N 2.89Å; S155-L157 PolarHBondContact O-N 2.83Å; S155-A158 VanDerWaalsContact O-CB 3.27Å; S155-A158 WeakPolarHBondContact O-CB 3.41Å; S155-A158 PolarHBondContact O-N 2.89Å
156	L	50.1	Low	46.1	Very low	50 Å²	50	107.2 Å²	107.2	26%	0.262	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.9	163.9	-123.1	176.5	0	0	0	111.8	L154 A158 K159 F160 H409	L154-L156 PolarHBondContact O-N 3.46Å; L156-A158 PolarHBondContact O-N 3.19Å; L156-A158 VanDerWaalsContact O-N 3.13Å; L156-K159 HydrophobicContact CD2-CB 3.61Å; L156-K159 HydrophobicContact CD2-CD 3.64Å; L156-K159 HydrophobicContact CD2-CG 3.68Å; L156-K159 PolarHBondContact O-N 2.71Å; L156-F160 PolarHBondContact O-N 2.75Å; L156-H409 VanDerWaalsContact CB-CD2 3.48Å; L156-H409 WeakPolarHBondContact CB-CD2 3.36Å; L156-H409 WeakPolarHBondContact CB-NE2 3.43Å; L156-H409 WeakPolarHBondContact CD1-NE2 3.45Å
157	L	48.5	Very low	45.1	Very low	51 Å²	51	107.2 Å²	107.2	27%	0.267	56%	0.561	S	S	.	*	H	α-helix	trans	-48.1	-30.9	160.2	-136.2	159.1	0	0	0	111	S155 F160 R161 V413	S155-L157 PolarHBondContact O-N 2.83Å; L157-F160 PolarHBondContact O-N 3.13Å; L157-R161 VanDerWaalsContact CD2-CD 3.49Å; L157-R161 HydrophobicContact CD2-CG 3.85Å; L157-R161 VanDerWaalsContact O-CB 3.25Å; L157-R161 WeakPolarHBondContact O-CB 3.2Å; L157-R161 PolarHBondContact O-N 3.12Å; L157-V413 HydrophobicContact CD1-CG2 4.45Å; L157-V413 HydrophobicContact CG-CG2 4.28Å
158	A	42.5	Very low	44.3	Very low	36 Å²	36	105.9 Å²	105.9	30%	0.298	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-35.7	169.7	0	0	0	0	0	114.2	S155 L156 R161 N162	S155-A158 VanDerWaalsContact O-CB 3.27Å; S155-A158 WeakPolarHBondContact O-CB 3.41Å; S155-A158 PolarHBondContact O-N 2.89Å; L156-A158 PolarHBondContact O-N 3.19Å; L156-A158 VanDerWaalsContact O-N 3.13Å; A158-R161 PolarHBondContact O-N 2.61Å; A158-N162 WeakPolarHBondContact O-CA 3.47Å; A158-N162 WeakPolarHBondContact O-CB 3.25Å; A158-N162 PolarHBondContact O-N 3.1Å; A158-N162 PolarHBondContact O-ND2 3.18Å; A158-N162 PolarHBondContact O-OD1 2.9Å; A158-N162 VanDerWaalsContact O-OD1 3.13Å
159	K	49.2	Very low	43.8	Very low	167 Å²	167	105.7 Å²	105.7	73%	0.726	55%	0.552	S	S	*	*	H	α-helix	trans	-77.8	-24.8	174.6	-56.3	-170.5	-163.1	171.1	0	113	L156	L156-K159 HydrophobicContact CD2-CB 3.61Å; L156-K159 HydrophobicContact CD2-CD 3.64Å; L156-K159 HydrophobicContact CD2-CG 3.68Å; L156-K159 PolarHBondContact O-N 2.71Å
160	F	45.5	Very low	44.3	Very low	90 Å²	90	106.4 Å²	106.4	40%	0.395	56%	0.56	S	S	.	*	H	α-helix	trans	-80.8	-20.7	170.7	-75.1	-79	0	0	0	113.5	L156 L157 V413	L156-F160 PolarHBondContact O-N 2.75Å; L157-F160 PolarHBondContact O-N 3.13Å; F160-V413 HydrophobicContact CD2-CG1 4.13Å; F160-V413 HydrophobicContact CE2-CG1 4.13Å
161	R	42.1	Very low	45	Very low	144 Å²	144	101.5 Å²	101.5	54%	0.543	54%	0.54	S	S	.	.	H	α-helix	trans	-102.9	-17.6	172.8	-78.3	-175.4	175.7	167.4	1.3	115.7	L157 A158 T163 S164	L157-R161 VanDerWaalsContact CD2-CD 3.49Å; L157-R161 HydrophobicContact CD2-CG 3.85Å; L157-R161 VanDerWaalsContact O-CB 3.25Å; L157-R161 WeakPolarHBondContact O-CB 3.2Å; L157-R161 PolarHBondContact O-N 3.12Å; A158-R161 PolarHBondContact O-N 2.61Å; R161-T163 PolarHBondContact O-N 2.89Å; R161-T163 VanDerWaalsContact O-N 3.08Å; R161-S164 WeakPolarHBondContact O-CA 3.33Å; R161-S164 PolarHBondContact O-N 2.93Å; R161-S164 PolarHBondContact O-OG 2.91Å
162	N	37.2	Very low	46.4	Very low	88 Å²	88	97.5 Å²	97.5	47%	0.471	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-71.3	-5.5	-174	-83.5	0.5	0	0	0	113.8	A158 S164	A158-N162 WeakPolarHBondContact O-CA 3.47Å; A158-N162 WeakPolarHBondContact O-CB 3.25Å; A158-N162 PolarHBondContact O-N 3.1Å; A158-N162 PolarHBondContact O-ND2 3.18Å; A158-N162 PolarHBondContact O-OD1 2.9Å; A158-N162 VanDerWaalsContact O-OD1 3.13Å; N162-S164 PolarHBondContact O-N 3.13Å
163	T	39.3	Very low	47.7	Very low	56 Å²	56	99.7 Å²	99.7	34%	0.344	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-70	-0.4	159.5	46.1	0	0	0	0	113.7	R161	R161-T163 PolarHBondContact O-N 2.89Å; R161-T163 VanDerWaalsContact O-N 3.08Å
164	S	37.3	Very low	49.4	Very low	83 Å²	83	92.3 Å²	92.3	58%	0.58	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-132.3	9.9	-176.9	92.7	0	0	0	0	116	R161 N162	R161-S164 WeakPolarHBondContact O-CA 3.33Å; R161-S164 PolarHBondContact O-N 2.93Å; R161-S164 PolarHBondContact O-OG 2.91Å; N162-S164 PolarHBondContact O-N 3.13Å
165	L	35.8	Very low	50.8	Low	132 Å²	132	87.8 Å²	87.8	69%	0.691	47%	0.466	S	S	*	.	S	Bend	trans	-133.2	2	-176	-90.1	171.6	0	0	0	116.7
166	H	35.6	Very low	52.2	Low	153 Å²	153	88 Å²	88	71%	0.708	46%	0.464	S	S	*	.	S	Bend	trans	-99.4	159.9	147.4	-76.9	-80.2	0	0	0	108.8	E168	H166-E168 PolarHBondContact O-N 2.82Å
167	S	44.1	Very low	52.9	Low	129 Å²	129	86.4 Å²	86.4	90%	0.902	46%	0.455	S	S	*	.			trans	-68.4	71	-178.4	54.6	0	0	0	0	111.9
168	E	41.6	Very low	52.9	Low	111 Å²	111	89 Å²	89	52%	0.519	47%	0.474	S	S	.	.			trans	-78.1	150.3	173.5	-84.2	-81.3	108.3	0	0	110.5	H166	H166-E168 PolarHBondContact O-N 2.82Å
169	P	41.2	Very low	52.9	Low	71 Å²	71	93.1 Å²	93.1	46%	0.461	49%	0.491	S	S	.	.			trans	-61.2	142.3	170.3	27.5	-33.9	0	0	0	110.6	M171	P169-M171 PolarHBondContact O-N 2.93Å
170	L	57.7	Low	52.7	Low	188 Å²	188	87.9 Å²	87.9	98%	0.984	48%	0.476	S	S	*	.	S	Bend	trans	-54.6	-17.4	-178.3	-80.1	149.9	0	0	0	114.8
171	M	62.6	Low	52.9	Low	39 Å²	39	85.7 Å²	85.7	19%	0.192	47%	0.466	C	S	.	.	S	Bend	trans	-137.5	143.1	165.8	-67.6	-150.2	78.8	0	0	110.9	P169 A433 Q438	P169-M171 PolarHBondContact O-N 2.93Å; M171-A433 HydrophobicContact CB-CB 3.69Å; M171-Q438 WeakPolarHBondContact CE-O 3.36Å; M171-Q438 HydrophobicContact SD-CB 3.64Å; M171-Q438 VanDerWaalsContact SD-CD 3.54Å; M171-Q438 HydrophobicContact SD-CG 4.13Å; M171-Q438 PolarHBondContact SD-OE1 2.89Å
172	P	77.1	Confident	52.4	Low	12 Å²	12	85.9 Å²	85.9	8%	0.078	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-77.4	153.2	176	36.5	-41.2	0	0	0	112.2	H378 A380 A433	P172-H378 HydrophobicContact CB-CB 3.46Å; P172-H378 VanDerWaalsContact CB-CB 3.46Å; P172-H378 HydrophobicContact CG-CB 3.86Å; P172-H378 WeakPolarHBondContact CG-ND1 3.43Å; P172-A380 HydrophobicContact CG-CB 4.21Å; P172-A433 WeakPolarHBondContact O-CB 3.4Å
173	H	75	Confident	52.4	Low	136 Å²	136	88.3 Å²	88.3	63%	0.63	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-54.2	150.9	170.7	-65	93	0	0	0	112.2	T381 E434	H173-T381 WeakPolarHBondContact O-CG2 3.49Å; H173-T381 PolarHBondContact O-OG1 3.22Å; H173-E434 IonicContact CD2-OE1 3.76Å
174	N	81.2	Confident	52	Low	21 Å²	21	91 Å²	91	11%	0.112	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-90	158.2	178.9	-66.5	-40.3	0	0	0	109.9	V382 E434 Y435	N174-V382 WeakPolarHBondContact CA-O 3.27Å; N174-V382 WeakPolarHBondContact CB-O 3.22Å; N174-E434 HydrophobicContact CB-CB 4.5Å; N174-E434 HydrophobicContact CB-CG 4.32Å; N174-E434 PolarHBondContact N-OE1 3.29Å; N174-E434 WeakPolarHBondContact ND2-CB 3.35Å; N174-E434 PolarHBondContact ND2-N 3.3Å; N174-Y435 HydrophobicContact CB-CE2 4.47Å; N174-Y435 WeakPolarHBondContact ND2-CD2 3.4Å; N174-Y435 WeakPolarHBondContact ND2-CE2 3.37Å
175	A	78.8	Confident	51.6	Low	11 Å²	11	93.3 Å²	93.3	9%	0.091	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-116.5	139.2	-177.2	0	0	0	0	0	111.5	F377 T381 V382 C383 K384	A175-F377 HydrophobicContact CB-CD2 3.95Å; A175-F377 HydrophobicContact CB-CE2 3.38Å; A175-F377 HydrophobicContact CB-CZ 3.99Å; A175-T381 HydrophobicContact CB-CG2 4.04Å; A175-V382 PolarHBondContact N-O 3.16Å; A175-C383 CarbonylContact O-C 3.57Å; A175-C383 VanDerWaalsContact O-CA 3.31Å; A175-C383 WeakPolarHBondContact O-CA 3.29Å; A175-K384 PolarHBondContact O-N 3.42Å
176	T	74.3	Confident	51.3	Low	79 Å²	79	93.1 Å²	93.1	49%	0.485	52%	0.522	S	S	.	.			trans	-122.6	108.1	158.8	-55.7	0	0	0	0	106.5	P178 P386	T176-P178 WeakPolarHBondContact O-CD 3.39Å; T176-P386 HydrophobicContact CG2-CG 4.43Å
177	Y	65.6	Low	51.1	Low	18 Å²	18	91.1 Å²	91.1	7%	0.071	52%	0.52	C	S	.	.			trans	-65.1	135.4	179	-66.7	-81.8	0	0	0	110.5	F181 H375 F377 C383 L391	Y177-F181 WeakPolarHBondContact O-CD2 3.37Å; Y177-F181 WeakPolarHBondContact O-CE2 3.47Å; Y177-H375 HydrophobicContact CE1-CB 4.02Å; Y177-H375 AromaticContact CE1-CD2 3.71Å; Y177-H375 AromaticContact CE1-CE1 3.99Å; Y177-H375 AromaticContact CE1-CG 3.57Å; Y177-H375 AromaticContact CE1-ND1 3.78Å; Y177-H375 AromaticContact CZ-CE1 3.99Å; Y177-H375 AromaticContact CZ-CG 3.89Å; Y177-H375 AromaticContact CZ-ND1 3.66Å; Y177-H375 PolarHBondContact OH-ND1 3.43Å; Y177-F377 HydrophobicContact CD1-CE2 4.47Å; Y177-F377 AromaticContact CE1-CE2 3.55Å; Y177-F377 HydrophobicContact CE1-CE2 3.55Å; Y177-F377 HydrophobicContact CE1-CZ 4.01Å; Y177-F377 HydrophobicContact CE2-CE2 4.34Å; Y177-F377 AromaticContact CZ-CE2 3.47Å; Y177-F377 VanDerWaalsContact CZ-CE2 3.47Å; Y177-F377 WeakPolarHBondContact OH-CD2 3.25Å; Y177-F377 VanDerWaalsContact OH-CE2 3.24Å; Y177-F377 WeakPolarHBondContact OH-CE2 3.47Å; Y177-C383 HydrophobicContact CD2-CB 4.5Å; Y177-C383 HydrophobicContact CE2-CB 3.94Å; Y177-C383 VanDerWaalsContact CE2-SG 3.53Å; Y177-L391 HydrophobicContact CD2-CD1 3.53Å; Y177-L391 HydrophobicContact CD2-CD2 3.97Å; Y177-L391 HydrophobicContact CD2-CG 4.41Å; Y177-L391 HydrophobicContact CE2-CD1 3.67Å; Y177-L391 HydrophobicContact CE2-CD2 3.77Å; Y177-L391 HydrophobicContact CE2-CG 4.38Å; Y177-L391 HydrophobicContact CG-CD1 4.18Å
178	P	48.1	Very low	50.4	Low	105 Å²	105	91 Å²	91	68%	0.682	52%	0.516	S	S	*	.	S	Bend	trans	-98.5	-41.1	164.7	-4.9	24.9	0	0	0	111.7	T176 S180 F181	T176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-S180 PolarHBondContact O-N 2.84Å; P178-F181 PolarHBondContact O-N 3.22Å; P178-F181 VanDerWaalsContact O-N 3.09Å
179	D	42.7	Very low	49.9	Very low	122 Å²	122	94.5 Å²	94.5	65%	0.652	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-71.8	-28.5	-170.7	-92.3	-31.6	0	0	0	114.5	F181 Q182	D179-F181 PolarHBondContact O-N 3.06Å; D179-Q182 WeakPolarHBondContact O-CG 3.49Å; D179-Q182 PolarHBondContact OD1-NE2 2.82Å
180	S	45	Very low	49.5	Very low	58 Å²	58	96.9 Å²	96.9	41%	0.406	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-70.1	-12.9	172.7	-49.7	0	0	0	0	113.2	P178	P178-S180 PolarHBondContact O-N 2.84Å
181	F	49.1	Very low	48.1	Very low	44 Å²	44	93.6 Å²	93.6	19%	0.193	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-108.5	20.3	-175.8	-53.1	-33.6	0	0	0	113	Y177 P178 D179 H183 I385 C389 S390	Y177-F181 WeakPolarHBondContact O-CD2 3.37Å; Y177-F181 WeakPolarHBondContact O-CE2 3.47Å; P178-F181 PolarHBondContact O-N 3.22Å; P178-F181 VanDerWaalsContact O-N 3.09Å; D179-F181 PolarHBondContact O-N 3.06Å; F181-H183 PolarHBondContact O-N 2.86Å; F181-I385 HydrophobicContact CZ-CG2 4.39Å; F181-C389 HydrophobicContact CD1-CB 3.8Å; F181-C389 HydrophobicContact CD2-CB 4.16Å; F181-C389 HydrophobicContact CE1-CB 3.64Å; F181-C389 HydrophobicContact CE2-CB 4.01Å; F181-C389 HydrophobicContact CG-CB 4.08Å; F181-C389 HydrophobicContact CZ-CB 3.76Å; F181-S390 VanDerWaalsContact CE1-O 3.3Å; F181-S390 WeakPolarHBondContact CE1-O 3.3Å
182	Q	32.1	Very low	46.5	Very low	147 Å²	147	97.4 Å²	97.4	69%	0.687	57%	0.569	S	S	*	*			trans	-63	94.5	175	-71.1	-171.3	16.3	0	0	111.9	D179	D179-Q182 WeakPolarHBondContact O-CG 3.49Å; D179-Q182 PolarHBondContact OD1-NE2 2.82Å
183	H	36.1	Very low	44.4	Very low	139 Å²	139	102.2 Å²	102.2	64%	0.644	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-63.8	149	146.4	-71.1	-48.2	0	0	0	109.2	F181	F181-H183 PolarHBondContact O-N 2.86Å
184	P	30.5	Very low	42.1	Very low	114 Å²	114	100.3 Å²	100.3	74%	0.74	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-57.5	142.4	176.9	24.7	-34.3	0	0	0	110.6	C186	P184-C186 PolarHBondContact O-N 3.24Å; P184-C186 VanDerWaalsContact O-N 3.16Å
185	P	28.5	Very low	39.6	Very low	131 Å²	131	108.4 Å²	108.4	85%	0.851	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.8	-167.9	24.6	-34.1	0	0	0	111.6
186	C	30.8	Very low	37.2	Very low	128 Å²	128	115.8 Å²	115.8	87%	0.865	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-79.6	118.7	165.1	-111.1	0	0	0	0	108.6	P184	P184-C186 PolarHBondContact O-N 3.24Å; P184-C186 VanDerWaalsContact O-N 3.16Å
187	T	31.2	Very low	35	Very low	111 Å²	111	121.8 Å²	121.8	68%	0.681	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-64.2	130.3	172.9	44.5	0	0	0	0	110.6
188	P	29.5	Very low	33.1	Very low	126 Å²	126	126.4 Å²	126.4	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-77.9	126.5	175.6	30.2	-32.2	0	0	0	110.4
189	F	31.7	Very low	32.1	Very low	185 Å²	185	129.7 Å²	129.7	81%	0.811	73%	0.734	S	S	*	*			trans	-105.9	151.2	163.2	-86.7	-82.5	0	0	0	110.1
190	P	31.2	Very low	31.4	Very low	121 Å²	121	129 Å²	129	79%	0.786	74%	0.739	S	S	*	*			trans	-81.9	155.6	-155.6	31.3	-36.4	0	0	0	115.3
191	S	29.7	Very low	31.2	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	75%	0.752	S	S	*	*			trans	-70.5	153.5	-177.3	-40.2	0	0	0	0	114.3
192	S	27.9	Very low	30.1	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	78%	0.782	S	S	*	*			trans	-155.3	155.1	159.4	-83	0	0	0	0	110.3
193	P	32.4	Very low	30	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	79%	0.785	S	S	*	*				-118.2	161.7	-124	40.7	-35.2	0	0	0	117.6
194	S	27.9	Very low	29.7	Very low	96 Å²	96	135.1 Å²	135.1	67%	0.671	79%	0.791	S	S	*	*			trans	49.8	119.8	144.8	61.6	0	0	0	0	120.9
195	H	28.4	Very low	29.4	Very low	191 Å²	191	134.6 Å²	134.6	88%	0.884	79%	0.79	S	S	*	*			trans	-138.3	130.6	133.9	-110.2	-85.3	0	0	0	110
196	M	27.4	Very low	29.5	Very low	166 Å²	166	138.6 Å²	138.6	82%	0.818	79%	0.79	S	S	*	*			trans	-95	145.8	176.3	-59.4	-176.1	74	0	0	110.7
197	F	29.6	Very low	29.9	Very low	205 Å²	205	138.1 Å²	138.1	90%	0.899	79%	0.785	S	S	*	*			trans	172.1	155.7	150.4	-77.4	-52.9	0	0	0	107
198	S	26.1	Very low	29.7	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	79%	0.793	S	S	*	*			cis	-155.3	176.6	-37.8	-163.4	0	0	0	0	107.2
199	Q	26.3	Very low	29.9	Very low	173 Å²	173	140.1 Å²	140.1	81%	0.808	79%	0.794	S	S	*	*			trans	-83.1	138.2	-170.2	-61.4	173.6	1.9	0	0	114.8
200	S	28.2	Very low	30.3	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	80%	0.795	S	S	*	*			trans	57.5	177.1	135.5	-56.2	0	0	0	0	120.6
201	P	40.4	Very low	30.2	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	79%	0.793	S	S	*	*			cis	-127.1	175.5	-50	32	-14.7	0	0	0	112.5
202	N	26.9	Very low	30.2	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	79%	0.791	S	S	*	*				169.7	151.5	122.2	-90.1	-16.8	0	0	0	115.9
203	S	28.1	Very low	30.4	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	79%	0.787	S	S	*	*			trans	-75	147	169.6	49.8	0	0	0	0	113.4
204	I	30.1	Very low	30.3	Very low	153 Å²	153	134.4 Å²	134.4	79%	0.785	79%	0.791	S	S	*	*			trans	-130.5	131.4	160.3	-64.5	178.6	0	0	0	109.3	Y206	I204-Y206 HydrophobicContact CG2-CD2 3.65Å; I204-Y206 HydrophobicContact CG2-CE2 3.87Å
205	S	25.3	Very low	30.4	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	79%	0.793	S	S	*	*			trans	-131.3	130.2	177.9	53.7	0	0	0	0	109.5
206	Y	30.4	Very low	31	Very low	215 Å²	215	130.7 Å²	130.7	84%	0.843	79%	0.794	S	S	*	*			trans	-149.2	162.1	177.3	-84.7	-55.6	0	0	0	111.1	I204	I204-Y206 HydrophobicContact CG2-CD2 3.65Å; I204-Y206 HydrophobicContact CG2-CE2 3.87Å
207	P	38.4	Very low	31	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	79%	0.792	S	S	*	*				-123.1	-173.7	-123	44.4	-34.9	0	0	0	117.1
208	N	27.7	Very low	31.1	Very low	158 Å²	158	122 Å²	122	85%	0.845	79%	0.787	S	S	*	*			trans	-63.7	161.6	-176.2	-66.1	-34.4	0	0	0	117
209	S	32.8	Very low	31.4	Very low	121 Å²	121	121.7 Å²	121.7	85%	0.846	78%	0.782	S	S	*	*			trans	-157.8	161.4	154.7	-85.6	0	0	0	0	110.3
210	P	41.5	Very low	31.5	Very low	128 Å²	128	123.2 Å²	123.2	83%	0.831	78%	0.782	S	S	*	*				-114.6	-175.4	-129.2	37.2	-27.2	0	0	0	117.5
211	G	28	Very low	31.4	Very low	72 Å²	72	124.1 Å²	124.1	74%	0.742	77%	0.774	S	S	*	*			trans	-70.6	-173.8	174.9	0	0	0	0	0	114.7
212	S	30.8	Very low	30.8	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	78%	0.777	S	S	*	*			cis	-162.9	171.9	37.3	52	0	0	0	0	114.9
213	S	31.2	Very low	30.8	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	78%	0.778	S	S	*	*			trans	-0.7	151.1	157.2	59	0	0	0	0	121.1
214	S	31.6	Very low	30.7	Very low	118 Å²	118	127.3 Å²	127.3	83%	0.825	78%	0.779	S	S	*	*			cis	-166.6	166.7	49.4	45	0	0	0	0	115.3
215	G	29.8	Very low	30.5	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	78%	0.783	S	S	*	*			trans	-84.2	-169.4	169.6	0	0	0	0	0	113.8
216	P	41	Very low	30.8	Very low	141 Å²	141	130.3 Å²	130.3	92%	0.916	79%	0.787	S	S	*	*			cis	-124.2	-163.1	42.4	41.1	-25.7	0	0	0	112.9
217	G	26.7	Very low	31	Very low	75 Å²	75	125.8 Å²	125.8	77%	0.773	78%	0.784	S	S	*	*			cis	-173.7	-167.2	5.5	0	0	0	0	0	112.6
218	S	31.4	Very low	30.9	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	78%	0.784	S	S	*	*			trans	-158.1	154.4	177.8	176.6	0	0	0	0	112.9
219	P	32.3	Very low	31.2	Very low	108 Å²	108	123.7 Å²	123.7	70%	0.701	78%	0.779	S	S	*	*			trans	-132.7	130.5	148.9	33.9	-18.3	0	0	0	115.3
220	Y	29.3	Very low	31.1	Very low	205 Å²	205	123.5 Å²	123.5	80%	0.804	78%	0.775	S	S	*	*			trans	23.8	154.9	141.5	-52.1	-79.4	0	0	0	123.2
221	Q	26.3	Very low	30.5	Very low	129 Å²	129	128.2 Å²	128.2	60%	0.603	78%	0.778	S	S	*	*			cis	-179.6	161	-22.7	-166.6	172.7	9	0	0	108.3
222	F	27.9	Very low	30.6	Very low	169 Å²	169	133.6 Å²	133.6	74%	0.741	78%	0.784	S	S	*	*			trans	73.8	147.8	171.5	-50.2	-71.8	0	0	0	116.8
223	T	25.4	Very low	30.5	Very low	133 Å²	133	133 Å²	133	82%	0.816	79%	0.785	S	S	*	*			cis	-151	176.2	3.4	-7.3	0	0	0	0	112.5
224	V	26.7	Very low	30.3	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	79%	0.791	S	S	*	*			trans	-72.6	143.4	-175.7	-175.4	0	0	0	0	114
225	E	25.1	Very low	30	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	79%	0.793	S	S	*	*				172.3	154.5	120.7	-94	-163.7	148.9	0	0	114.3
226	T	31.6	Very low	29.9	Very low	132 Å²	132	144.8 Å²	144.8	81%	0.81	80%	0.796	S	S	*	*			trans	-129.8	138.6	176.8	-29.5	0	0	0	0	109.2
227	P	34.7	Very low	29.2	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	80%	0.796	S	S	*	*			trans	-136.8	167.4	132.4	10.6	12.5	0	0	0	114.9
228	P	36.3	Very low	29.1	Very low	116 Å²	116	144.7 Å²	144.7	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97.1	172.4	-166.2	39.1	-37.1	0	0	0	115.1
229	P	33.8	Very low	28.9	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.2	154.8	172.9	30.7	-35	0	0	0	113.3
230	P	32.2	Very low	28.7	Very low	117 Å²	117	149.6 Å²	149.6	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.7	148.3	-162.2	34.6	-36.6	0	0	0	115.5
231	Y	27.8	Very low	28.6	Very low	226 Å²	226	147.4 Å²	147.4	89%	0.886	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.5	136	156.6	-81.9	-98	0	0	0	110
232	H	31.3	Very low	28.6	Very low	186 Å²	186	145.2 Å²	145.2	86%	0.861	82%	0.82	S	S	*	*			trans	-139.8	116	152.7	-91.7	-75.5	0	0	0	109.9
233	A	27.8	Very low	28.6	Very low	98 Å²	98	148.5 Å²	148.5	81%	0.81	83%	0.827	S	S	*	*			trans	-82.6	152.4	167.5	0	0	0	0	0	110.2
234	R	27.3	Very low	28.6	Very low	230 Å²	230	147.1 Å²	147.1	87%	0.868	82%	0.823	S	S	*	*			trans	-149.6	110.2	163.3	-173.5	167.5	170.1	167.7	-4.2	109.9
235	E	25.5	Very low	28.7	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	82%	0.824	S	S	*	*			trans	-77.7	144.8	168.7	-61	-179.5	146.6	0	0	110.2
236	T	26.7	Very low	28.8	Very low	125 Å²	125	146.6 Å²	146.6	77%	0.767	82%	0.818	S	S	*	*			trans	-154.9	121.3	153.9	24.7	0	0	0	0	108.9
237	S	26.2	Very low	28.5	Very low	131 Å²	131	144.2 Å²	144.2	92%	0.916	81%	0.812	S	S	*	*			trans	-75.4	146.4	177.2	-47.8	0	0	0	0	112
238	G	26.3	Very low	28.2	Very low	83 Å²	83	147 Å²	147	86%	0.856	82%	0.819	S	S	*	*			trans	-164.2	106.4	174.8	0	0	0	0	0	112.2
239	N	26.8	Very low	27.7	Very low	146 Å²	146	146 Å²	146	78%	0.781	82%	0.819	S	S	*	*			trans	-97.5	138.2	-174.8	-162	25.8	0	0	0	111.1
240	Q	28.8	Very low	27.3	Very low	178 Å²	178	149.4 Å²	149.4	83%	0.832	83%	0.825	S	S	*	*			trans	175.6	119.7	144.5	-99.9	159.2	105.8	0	0	116.2
241	N	25.9	Very low	27.1	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	83%	0.828	S	S	*	*			trans	29.5	130	139.1	-61.9	-16.4	0	0	0	123.4
242	G	25.8	Very low	27	Very low	82 Å²	82	146.9 Å²	146.9	85%	0.845	82%	0.824	S	S	*	*			trans	-175.2	88.4	163.8	0	0	0	0	0	116.5
243	R	28.2	Very low	26.7	Very low	239 Å²	239	146.4 Å²	146.4	90%	0.902	83%	0.827	S	S	*	*			trans	-41.9	150.6	-179.6	-63.4	169.9	171.3	176	-3.9	119.9
244	S	26.7	Very low	26.7	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	82%	0.823	S	S	*	*			trans	56.9	153.2	139.7	-69.3	0	0	0	0	119.4
245	M	29.1	Very low	26.7	Very low	163 Å²	163	144.1 Å²	144.1	80%	0.803	82%	0.822	S	S	*	*			cis	-167.3	165.3	2.8	-108.9	152.8	140.8	0	0	105.8
246	D	26.1	Very low	26.7	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	82%	0.818	S	S	*	*			cis	-152.2	-168	2.7	-142.9	-50.5	0	0	0	109.9
247	A	24.9	Very low	26.9	Very low	82 Å²	82	141.7 Å²	141.7	68%	0.678	82%	0.818	S	S	*	*			trans	-108.3	154.4	-175.8	0	0	0	0	0	116
248	I	28.1	Very low	27.4	Very low	180 Å²	180	141.4 Å²	141.4	92%	0.923	81%	0.814	S	S	*	*			trans	-133	131.3	148.2	-62.3	-175.3	0	0	0	107.9
249	A	26.3	Very low	27.6	Very low	93 Å²	93	146.4 Å²	146.4	77%	0.769	81%	0.814	S	S	*	*			trans	-94.6	141.1	-164.9	0	0	0	0	0	114
250	E	25.3	Very low	27.9	Very low	189 Å²	189	143 Å²	143	88%	0.883	81%	0.814	S	S	*	*			trans	-87.9	123.8	160.1	-71.5	-167.6	149.5	0	0	110.2	Q252	E250-Q252 PolarHBondContact O-N 3.12Å
251	S	27.3	Very low	27.9	Very low	116 Å²	116	138 Å²	138	81%	0.811	81%	0.809	S	S	*	*			trans	-78.8	95.5	-177.6	52.2	0	0	0	0	112
252	Q	25.6	Very low	28.2	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	81%	0.814	S	S	*	*			trans	-76.3	120.6	163.6	-71.2	-172.3	-5.8	0	0	110.6	E250 V254	E250-Q252 PolarHBondContact O-N 3.12Å; Q252-V254 PolarHBondContact O-N 2.87Å
253	L	25.7	Very low	28.4	Very low	176 Å²	176	142.1 Å²	142.1	92%	0.921	81%	0.811	S	S	*	*			trans	-75	91.2	172.8	-73.1	168	0	0	0	110.1	L255	L253-L255 PolarHBondContact O-N 3.05Å
254	V	27.5	Very low	29	Very low	119 Å²	119	135.6 Å²	135.6	72%	0.721	81%	0.808	S	S	*	*			trans	-77.9	112.5	173.1	-160.8	0	0	0	0	108.9	Q252 S256	Q252-V254 PolarHBondContact O-N 2.87Å; V254-S256 PolarHBondContact O-N 2.88Å; V254-S256 VanDerWaalsContact O-N 3.11Å
255	L	27.7	Very low	29.5	Very low	161 Å²	161	138.3 Å²	138.3	84%	0.843	81%	0.814	S	S	*	*			trans	-66.5	107.7	172.3	-84.2	166.2	0	0	0	109.8	L253 L257	L253-L255 PolarHBondContact O-N 3.05Å; L255-L257 PolarHBondContact O-N 3.44Å
256	S	25.7	Very low	30.1	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.9	118.9	179	-56.8	0	0	0	0	111.7	V254	V254-S256 PolarHBondContact O-N 2.88Å; V254-S256 VanDerWaalsContact O-N 3.11Å
257	L	30.6	Very low	30.8	Very low	147 Å²	147	136 Å²	136	77%	0.77	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.9	146.4	166	-97.9	70.6	0	0	0	110.6	L255	L255-L257 PolarHBondContact O-N 3.44Å
258	P	36.7	Very low	31.7	Very low	125 Å²	125	138 Å²	138	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.6	140.6	178.7	27.8	-33.7	0	0	0	111.3
259	H	31.5	Very low	32.9	Very low	187 Å²	187	134.8 Å²	134.8	87%	0.866	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.1	-179.2	-74	34.2	0	0	0	111.3	G261	H259-G261 PolarHBondContact O-N 3.32Å
260	G	31.9	Very low	34.9	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65	127.1	-179.6	0	0	0	0	0	112.8
261	G	30.1	Very low	37.3	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.9	137.7	163.8	0	0	0	0	0	110.3	H259 S263	H259-G261 PolarHBondContact O-N 3.32Å; G261-S263 PolarHBondContact O-N 3.09Å
262	K	31.1	Very low	39.9	Very low	217 Å²	217	128.6 Å²	128.6	94%	0.943	74%	0.742	S	S	*	*			trans	-78.2	109	175.5	-68.3	-180	177.3	-179.6	0	109.8
263	S	31.1	Very low	42.8	Very low	113 Å²	113	124.3 Å²	124.3	79%	0.79	73%	0.729	S	S	*	*			trans	-89.5	133.8	161.2	-60.4	0	0	0	0	109.1	G261 D265	G261-S263 PolarHBondContact O-N 3.09Å; S263-D265 PolarHBondContact O-N 2.89Å
264	A	39	Very low	45.9	Very low	102 Å²	102	116.1 Å²	116.1	84%	0.843	69%	0.687	S	S	*	*	S	Bend	trans	-92.2	76.2	176.4	0	0	0	0	0	110.3
265	D	37.5	Very low	48.8	Very low	159 Å²	159	113.9 Å²	113.9	85%	0.85	68%	0.675	S	S	*	*	S	Bend	trans	-160.7	131.1	149	-95.3	-32.8	0	0	0	107.2	S263 E267	S263-D265 PolarHBondContact O-N 2.89Å; D265-E267 PolarHBondContact O-N 3.5Å
266	G	42.9	Very low	51.8	Low	78 Å²	78	108.2 Å²	108.2	80%	0.804	64%	0.643	S	S	*	*			trans	-96.5	98.2	-152.8	0	0	0	0	0	115.2
267	E	39.9	Very low	54.7	Low	178 Å²	178	107.7 Å²	107.7	83%	0.832	63%	0.628	S	S	*	*			trans	-156.3	82.6	150.2	-121.9	169.9	-156.5	0	0	111.4	D265 E269	D265-E267 PolarHBondContact O-N 3.5Å; E267-E269 PolarHBondContact O-N 2.9Å; E267-E269 VanDerWaalsContact O-N 3.12Å
268	T	43.7	Very low	57.4	Low	122 Å²	122	104.5 Å²	104.5	75%	0.748	61%	0.609	S	S	*	*			trans	-76.8	96.7	170.1	-48.4	0	0	0	0	108.5	N270	T268-N270 PolarHBondContact O-N 3.29Å; T268-N270 PolarHBondContact O-ND2 3.26Å
269	E	54.4	Low	59.9	Low	113 Å²	113	100 Å²	100	53%	0.528	58%	0.58	S	S	.	*			trans	-52.8	113.7	173	-88.7	-156.9	-141.2	0	0	110.3	E267 F271	E267-E269 PolarHBondContact O-N 2.9Å; E267-E269 VanDerWaalsContact O-N 3.12Å; E269-F271 VanDerWaalsContact C-N 3.25Å; E269-F271 HydrophobicContact CB-CD2 4Å; E269-F271 HydrophobicContact CB-CE2 3.41Å; E269-F271 VanDerWaalsContact CB-CE2 3.41Å; E269-F271 HydrophobicContact CB-CZ 3.74Å; E269-F271 HydrophobicContact CG-CE2 4.47Å; E269-F271 HydrophobicContact CG-CZ 4.38Å; E269-F271 WeakPolarHBondContact O-CD2 3.42Å; E269-F271 PolarHBondContact O-N 3.2Å; E269-F271 WeakPolarHBondContact OE2-CE1 3.42Å; E269-F271 WeakPolarHBondContact OE2-CZ 3.31Å
270	N	67.8	Low	62.6	Low	79 Å²	79	99.1 Å²	99.1	42%	0.422	58%	0.576	S	S	.	*			trans	-81.4	66.2	-173.4	-83.2	-71.5	0	0	0	111.5	R146 T268	R146-N270 HydrophobicContact CB-CB 4.29Å; R146-N270 WeakPolarHBondContact CD-O 3.33Å; R146-N270 HydrophobicContact CG-CB 4.37Å; R146-N270 WeakPolarHBondContact CG-O 3.18Å; R146-N270 PolarHBondContact NE-O 3.07Å; T268-N270 PolarHBondContact O-N 3.29Å; T268-N270 PolarHBondContact O-ND2 3.26Å
271	F	76	Confident	65.5	Low	77 Å²	77	97.6 Å²	97.6	34%	0.338	55%	0.549	S	S	.	.			trans	-57.2	144.9	177.2	-62.6	-79.6	0	0	0	112.7	L143 V144 P145 E269	L143-F271 HydrophobicContact CB-CB 4.18Å; L143-F271 HydrophobicContact CB-CD1 3.86Å; L143-F271 HydrophobicContact CB-CG 4.24Å; V144-F271 CarbonylContact O-C 3.49Å; V144-F271 WeakPolarHBondContact O-CA 3.34Å; P145-F271 HydrophobicContact CG-CD1 4.28Å; P145-F271 HydrophobicContact CG-CE1 3.99Å; E269-F271 VanDerWaalsContact C-N 3.25Å; E269-F271 HydrophobicContact CB-CD2 4Å; E269-F271 HydrophobicContact CB-CE2 3.41Å; E269-F271 VanDerWaalsContact CB-CE2 3.41Å; E269-F271 HydrophobicContact CB-CZ 3.74Å; E269-F271 HydrophobicContact CG-CE2 4.47Å; E269-F271 HydrophobicContact CG-CZ 4.38Å; E269-F271 WeakPolarHBondContact O-CD2 3.42Å; E269-F271 PolarHBondContact O-N 3.2Å; E269-F271 WeakPolarHBondContact OE2-CE1 3.42Å; E269-F271 WeakPolarHBondContact OE2-CZ 3.31Å
272	R	81.7	Confident	68.6	Low	113 Å²	113	95 Å²	95	43%	0.426	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.2	165.9	-72.7	-175.9	171	169.3	-1.1	110.2	L143 V144 R146 Q464	L143-R272 WeakPolarHBondContact CA-O 3.5Å; V144-R272 PolarHBondContact N-O 3.3Å; V144-R272 PolarHBondContact O-N 2.82Å; R146-R272 HydrophobicContact CG-CG 4.42Å; R272-Q464 VanDerWaalsContact CB-OE1 3.24Å
273	P	87.1	Confident	71.7	Confident	83 Å²	83	84.7 Å²	84.7	54%	0.539	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.4	174.3	30.9	-33	0	0	0	111.3	P141 V142 L143	P141-P273 HydrophobicContact CB-CB 4Å; P141-P273 HydrophobicContact CG-CB 4.36Å; V142-P273 CarbonylContact O-C 3.59Å; L143-P273 HydrophobicContact CD2-CB 4.01Å
274	V	89.5	Confident	74.9	Confident	5 Å²	5	80 Å²	80	3%	0.03	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.8	176.1	-168.4	0	0	0	0	108.9	P141 V142 V144 W457 K460 V461 Q464	P141-V274 WeakPolarHBondContact CA-O 3.28Å; V142-V274 HydrophobicContact CB-CB 4.49Å; V142-V274 PolarHBondContact N-O 3.12Å; V142-V274 PolarHBondContact O-N 3.27Å; V144-V274 HydrophobicContact CG2-CG2 3.8Å; V274-W457 PolarHBondContact O-NE1 2.95Å; V274-K460 HydrophobicContact CG1-CB 3.58Å; V274-K460 HydrophobicContact CG1-CD 4.44Å; V274-V461 HydrophobicContact CB-CG2 4Å; V274-V461 HydrophobicContact CG1-CG2 3.94Å; V274-V461 HydrophobicContact CG2-CG2 4.17Å; V274-Q464 VanDerWaalsContact CG2-NE2 3.31Å
275	C	89.9	Confident	77.8	Confident	72 Å²	72	75.1 Å²	75.1	49%	0.486	40%	0.399	S	S	.	.			trans	-76.2	147.7	-179.8	-60	0	0	0	0	112.1
276	Y	90.1	Very high	80.7	Confident	41 Å²	41	67.9 Å²	67.9	16%	0.161	36%	0.361	C	S	.	.			trans	-74	141.6	166.4	-179.3	-101.2	0	0	0	110.5	L139 E278 N396 W457	L139-Y276 HydrophobicContact CD1-CD1 3.9Å; L139-Y276 HydrophobicContact CD1-CD2 4.2Å; L139-Y276 HydrophobicContact CD1-CE1 4.22Å; L139-Y276 HydrophobicContact CD1-CE2 4.49Å; L139-Y276 HydrophobicContact CD1-CG 3.87Å; Y276-E278 HydrophobicContact CE1-CB 4.48Å; Y276-E278 PolarHBondContact OH-OE1 3.19Å; Y276-N396 PolarHBondContact OH-ND2 3.32Å; Y276-W457 HydrophobicContact CD2-CB 4.1Å; Y276-W457 AromaticContact CD2-CD2 3.79Å; Y276-W457 HydrophobicContact CD2-CD2 3.79Å; Y276-W457 AromaticContact CD2-CE3 3.42Å; Y276-W457 HydrophobicContact CD2-CE3 3.42Å; Y276-W457 VanDerWaalsContact CD2-CE3 3.42Å; Y276-W457 HydrophobicContact CD2-CG 4.14Å; Y276-W457 AromaticContact CD2-CZ3 3.98Å; Y276-W457 HydrophobicContact CD2-CZ3 3.98Å; Y276-W457 HydrophobicContact CE2-CE3 4.27Å; Y276-W457 HydrophobicContact CG-CD2 4.37Å; Y276-W457 HydrophobicContact CG-CE3 4.1Å; Y276-W457 HydrophobicContact CG-CZ3 4.31Å
277	E	86.8	Confident	83.3	Confident	104 Å²	104	64.2 Å²	64.2	49%	0.486	32%	0.323	S	S	.	.			trans	-130.1	142.2	171.7	-80.7	158.9	-133.6	0	0	108.7	P279 K460	E277-P279 WeakPolarHBondContact O-CD 3.35Å; E277-K460 IonicContact OE1-NZ 3.19Å; E277-K460 PolarHBondContact OE1-NZ 2.85Å; E277-K460 IonicContact OE2-NZ 3.88Å; E277-K460 PolarHBondContact OE2-NZ 3.34Å
278	E	86.8	Confident	86.1	Confident	79 Å²	79	57.7 Å²	57.7	37%	0.369	29%	0.291	S	S	.	.			trans	-86.3	119.7	-178.6	-158.3	106.4	-110.7	0	0	109.7	Y276 R303 Y349	Y276-E278 HydrophobicContact CE1-CB 4.48Å; Y276-E278 PolarHBondContact OH-OE1 3.19Å; E278-R303 IonicContact OE2-NH2 3.97Å; E278-R303 PolarHBondContact OE2-NH2 2.86Å; E278-Y349 VanDerWaalsContact OE1-CE1 3.25Å; E278-Y349 WeakPolarHBondContact OE1-CE1 3.46Å; E278-Y349 VanDerWaalsContact OE1-CZ 3.3Å; E278-Y349 PolarHBondContact OE1-OH 3.2Å
279	P	89.8	Confident	88.7	Confident	30 Å²	30	52 Å²	52	20%	0.195	26%	0.255	C	S	.	.			trans	-76.2	159.2	-177	32.3	-39.4	0	0	0	113.1	E277 H281 H452	E277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-H281 VanDerWaalsContact C-N 3.26Å; P279-H281 WeakPolarHBondContact CB-O 3.46Å; P279-H281 WeakPolarHBondContact CG-O 3.27Å; P279-H281 PolarHBondContact O-N 2.85Å; P279-H452 HydrophobicContact CB-CB 4.2Å; P279-H452 HydrophobicContact CG-CB 3.86Å
280	Q	87	Confident	90.8	Very high	170 Å²	170	49 Å²	49	79%	0.794	24%	0.243	S	C	*	.	S	Bend	trans	-61.7	-32	176.3	-172.2	-175	20.4	0	0	113.2
281	H	93.1	Very high	92.3	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.199	25%	0.252	C	S	.	.	S	Bend	trans	-118.5	127	170.8	-61.4	-22.7	0	0	0	107	P279 A300 S301 H452	P279-H281 VanDerWaalsContact C-N 3.26Å; P279-H281 WeakPolarHBondContact CB-O 3.46Å; P279-H281 WeakPolarHBondContact CG-O 3.27Å; P279-H281 PolarHBondContact O-N 2.85Å; H281-A300 WeakPolarHBondContact CA-O 3.46Å; H281-S301 PolarHBondContact CE1-OG 2.82Å; H281-S301 PolarHBondContact ND1-OG 2.72Å; H281-H452 VanDerWaalsContact O-CB 3.3Å; H281-H452 WeakPolarHBondContact O-CB 3.5Å; H281-H452 PolarHBondContact O-ND1 2.9Å; H281-H452 VanDerWaalsContact O-ND1 3.15Å
282	W	95.1	Very high	93.3	Very high	18 Å²	18	49.7 Å²	49.7	7%	0.068	25%	0.25	C	S	.	.	S	Bend	trans	-83.1	-26.7	-175.5	68.5	-88.5	0	0	0	111.9	A300 S302 I305 L347 Y349 V354 L451 H452	W282-A300 VanDerWaalsContact CD1-O 3.29Å; W282-A300 HydrophobicContact CZ2-CB 4.28Å; W282-A300 PolarHBondContact N-O 2.82Å; W282-S302 PolarHBondContact NE1-O 3.06Å; W282-I305 HydrophobicContact CZ2-CD1 4.14Å; W282-I305 HydrophobicContact CZ2-CG1 4.27Å; W282-L347 HydrophobicContact CH2-CB 4.16Å; W282-Y349 HydrophobicContact CB-CD1 4.11Å; W282-Y349 HydrophobicContact CD2-CG 4.29Å; W282-Y349 HydrophobicContact CE3-CG 4.23Å; W282-Y349 HydrophobicContact CG-CD1 4.25Å; W282-Y349 HydrophobicContact CG-CG 4.48Å; W282-V354 HydrophobicContact CE3-CG2 4.31Å; W282-V354 HydrophobicContact CH2-CG1 3.94Å; W282-V354 HydrophobicContact CZ3-CB 4.45Å; W282-V354 HydrophobicContact CZ3-CG1 3.66Å; W282-V354 HydrophobicContact CZ3-CG2 3.85Å; W282-L451 HydrophobicContact CE3-CD2 4.13Å; W282-L451 HydrophobicContact CZ3-CD2 3.86Å; W282-H452 PolarHBondContact O-N 3.19Å
283	C	97.6	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.6	170.2	76.5	0	0	0	0	113.2	A300 I449 H450 L451	C283-A300 VanDerWaalsContact O-CB 3.3Å; C283-A300 WeakPolarHBondContact O-CB 3.36Å; C283-A300 PolarHBondContact O-N 3.33Å; C283-A300 WeakPolarHBondContact SG-CB 3.44Å; C283-I449 HydrophobicContact CB-CG2 4.07Å; C283-H450 CarbonylContact C-O 3.6Å; C283-H450 WeakPolarHBondContact CA-O 3.39Å; C283-H450 WeakPolarHBondContact CB-O 3.35Å; C283-L451 HydrophobicContact CB-CD2 3.9Å
284	S	97.9	Very high	94.6	Very high	14 Å²	14	47.3 Å²	47.3	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.1	163.2	61.3	0	0	0	0	110.7	F298 I449 H450 H452	S284-F298 CarbonylContact C-O 3.55Å; S284-F298 VanDerWaalsContact CA-O 3.27Å; S284-F298 WeakPolarHBondContact CA-O 3.44Å; S284-I449 WeakPolarHBondContact O-CA 3.41Å; S284-H450 PolarHBondContact N-O 3.07Å; S284-H450 PolarHBondContact O-N 2.94Å; S284-H452 VanDerWaalsContact CB-NE2 3.3Å; S284-H452 WeakPolarHBondContact CB-NE2 3.21Å; S284-H452 PolarHBondContact N-NE2 3.22Å; S284-H452 VanDerWaalsContact N-NE2 3.19Å; S284-H452 PolarHBondContact OG-NE2 2.73Å
285	V	98.4	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.1	-176.5	-170.8	0	0	0	0	110.3	T297 F298 I305 I307 F320 I447 E448 I449	V285-T297 CarbonylContact O-C 3.52Å; V285-T297 WeakPolarHBondContact O-CA 3.49Å; V285-F298 HydrophobicContact CB-CB 4.45Å; V285-F298 PolarHBondContact N-O 3.06Å; V285-F298 PolarHBondContact O-N 3.18Å; V285-I305 HydrophobicContact CG2-CD1 4.35Å; V285-I307 HydrophobicContact CG1-CD1 4.06Å; V285-I307 HydrophobicContact CG2-CD1 4.23Å; V285-F320 HydrophobicContact CB-CD1 4.28Å; V285-F320 HydrophobicContact CB-CE1 4.26Å; V285-F320 HydrophobicContact CG1-CD1 4.16Å; V285-F320 HydrophobicContact CG1-CE1 4.05Å; V285-I447 HydrophobicContact CG1-CB 3.8Å; V285-I447 HydrophobicContact CG1-CD1 4Å; V285-I447 HydrophobicContact CG1-CG1 4.43Å; V285-I447 HydrophobicContact CG1-CG2 3.92Å; V285-E448 WeakPolarHBondContact CA-O 3.33Å; V285-I449 HydrophobicContact CG1-CG1 4.28Å; V285-I449 HydrophobicContact CG2-CG1 4.28Å; V285-I449 HydrophobicContact CG2-CG2 4.47Å
286	A	98.6	Very high	95.1	Very high	6 Å²	6	53.6 Å²	53.6	5%	0.05	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.4	173.1	0	0	0	0	0	110.1	Y288 I447 E448	A286-Y288 HydrophobicContact CB-CD2 4.49Å; A286-Y288 HydrophobicContact CB-CE2 3.66Å; A286-I447 CarbonylContact O-C 3.17Å; A286-I447 WeakPolarHBondContact O-CA 3.11Å; A286-E448 PolarHBondContact N-O 2.9Å; A286-E448 PolarHBondContact O-N 3.36Å
287	Y	98.8	Very high	95.4	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.7	178.2	174.5	-115.3	0	0	0	111.8	E289 V294 L322 L325 R338 C445 W446 I447	Y287-E289 HydrophobicContact CE1-CG 3.69Å; Y287-E289 WeakPolarHBondContact CE1-OE1 3.24Å; Y287-E289 WeakPolarHBondContact OH-CG 3.31Å; Y287-E289 PolarHBondContact OH-OE1 2.89Å; Y287-V294 HydrophobicContact CD1-CB 3.77Å; Y287-V294 HydrophobicContact CD1-CG1 3.95Å; Y287-V294 HydrophobicContact CE1-CB 4.02Å; Y287-V294 HydrophobicContact CE1-CG1 3.96Å; Y287-V294 PolarHBondContact O-N 3.47Å; Y287-L322 HydrophobicContact CD1-CD2 4.26Å; Y287-L322 HydrophobicContact CD2-CD1 3.81Å; Y287-L322 HydrophobicContact CD2-CD2 3.86Å; Y287-L322 HydrophobicContact CD2-CG 4.37Å; Y287-L322 HydrophobicContact CE2-CD1 3.86Å; Y287-L322 HydrophobicContact CE2-CD2 4.49Å; Y287-L322 HydrophobicContact CG-CD2 3.73Å; Y287-L325 HydrophobicContact CD1-CD1 3.54Å; Y287-L325 HydrophobicContact CE1-CD1 4.23Å; Y287-L325 HydrophobicContact CG-CD1 4.2Å; Y287-R338 PolarHBondContact OH-NH1 2.68Å; Y287-R338 VanDerWaalsContact OH-NH1 3.07Å; Y287-C445 HydrophobicContact CE2-CB 4.1Å; Y287-C445 PolarHBondContact OH-SG 2.9Å; Y287-C445 VanDerWaalsContact OH-SG 3.32Å; Y287-W446 WeakPolarHBondContact CD2-O 3.44Å; Y287-I447 HydrophobicContact CD2-CG2 3.95Å
288	Y	98.8	Very high	95.8	Very high	42 Å²	42	50.1 Å²	50.1	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.8	-176	-68.2	-97.9	0	0	0	112	A286 N292 R293 W446 E448	A286-Y288 HydrophobicContact CB-CD2 4.49Å; A286-Y288 HydrophobicContact CB-CE2 3.66Å; Y288-N292 CarbonylContact C-O 3.57Å; Y288-N292 VanDerWaalsContact CA-O 3.23Å; Y288-N292 WeakPolarHBondContact CA-O 3.38Å; Y288-R293 HydrophobicContact CD1-CB 3.99Å; Y288-R293 HydrophobicContact CE1-CB 3.62Å; Y288-R293 HydrophobicContact CE1-CG 4.16Å; Y288-W446 HydrophobicContact CD1-CH2 4.22Å; Y288-W446 AromaticContact CD1-CZ2 3.81Å; Y288-W446 HydrophobicContact CD1-CZ2 3.81Å; Y288-W446 HydrophobicContact CD2-CD2 4.4Å; Y288-W446 HydrophobicContact CD2-CE3 4.31Å; Y288-W446 AromaticContact CD2-CH2 3.87Å; Y288-W446 HydrophobicContact CD2-CH2 3.87Å; Y288-W446 AromaticContact CD2-CZ2 3.98Å; Y288-W446 HydrophobicContact CD2-CZ2 3.98Å; Y288-W446 HydrophobicContact CD2-CZ3 4.06Å; Y288-W446 HydrophobicContact CE1-CZ2 4.46Å; Y288-W446 HydrophobicContact CE2-CH2 4.19Å; Y288-W446 HydrophobicContact CE2-CZ3 4.44Å; Y288-W446 HydrophobicContact CG-CD2 4.31Å; Y288-W446 AromaticContact CG-CE2 3.77Å; Y288-W446 AromaticContact CG-CH2 3.92Å; Y288-W446 HydrophobicContact CG-CH2 3.92Å; Y288-W446 AromaticContact CG-CZ2 3.55Å; Y288-W446 HydrophobicContact CG-CZ2 3.55Å; Y288-W446 HydrophobicContact CG-CZ3 4.46Å; Y288-W446 PolarHBondContact N-O 3.31Å; Y288-W446 PolarHBondContact O-N 3.21Å; Y288-E448 HydrophobicContact CE2-CB 4.03Å
289	E	98.6	Very high	96.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.9	168.3	-66.1	-179.2	-178.4	0	0	108	Y287 N291 N292 V294 N327 R330 I334 R338 P444	Y287-E289 HydrophobicContact CE1-CG 3.69Å; Y287-E289 WeakPolarHBondContact CE1-OE1 3.24Å; Y287-E289 WeakPolarHBondContact OH-CG 3.31Å; Y287-E289 PolarHBondContact OH-OE1 2.89Å; E289-N291 PolarHBondContact O-N 3.05Å; E289-N292 PolarHBondContact N-O 2.85Å; E289-N292 PolarHBondContact O-N 2.99Å; E289-V294 HydrophobicContact CB-CG2 3.93Å; E289-V294 HydrophobicContact CG-CB 4.47Å; E289-V294 HydrophobicContact CG-CG2 3.92Å; E289-N327 WeakPolarHBondContact OE2-CB 3.44Å; E289-N327 PolarHBondContact OE2-ND2 3.39Å; E289-R330 IonicContact OE1-CZ 3.61Å; E289-R330 IonicContact OE1-NE 3.56Å; E289-R330 PolarHBondContact OE1-NE 3.36Å; E289-R330 IonicContact OE1-NH2 3.77Å; E289-R330 PolarHBondContact OE1-NH2 3.2Å; E289-R330 IonicContact OE2-CZ 2.73Å; E289-R330 IonicContact OE2-NE 3.18Å; E289-R330 PolarHBondContact OE2-NE 3.21Å; E289-R330 IonicContact OE2-NH2 3.54Å; E289-R330 PolarHBondContact OE2-NH2 3.13Å; E289-I334 HydrophobicContact CB-CD1 4.24Å; E289-I334 HydrophobicContact CB-CG2 4.14Å; E289-I334 VanDerWaalsContact CD-CG2 3.47Å; E289-I334 HydrophobicContact CG-CG2 3.81Å; E289-I334 WeakPolarHBondContact OE2-CG2 3.23Å; E289-R338 WeakPolarHBondContact OE1-CD 3.46Å; E289-R338 IonicContact OE1-CZ 3.35Å; E289-R338 IonicContact OE1-NE 2.91Å; E289-R338 IonicContact OE1-NH1 2.68Å; E289-R338 PolarHBondContact OE1-NH1 2.99Å; E289-P444 WeakPolarHBondContact CA-O 3.47Å
290	L	98.3	Very high	96.4	Very high	50 Å²	50	48.8 Å²	48.8	26%	0.262	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-121	-165.1	-57.8	170	0	0	0	111.5	I334 T441 T443 W446	L290-I334 HydrophobicContact CD1-CD1 4.01Å; L290-I334 HydrophobicContact CG-CD1 4.14Å; L290-T441 CarbonylContact C-O 3.59Å; L290-T441 WeakPolarHBondContact CA-O 3.27Å; L290-T441 WeakPolarHBondContact CB-O 3.41Å; L290-T443 WeakPolarHBondContact CA-O 3.45Å; L290-T443 PolarHBondContact N-O 2.89Å; L290-W446 PolarHBondContact O-NE1 3.49Å
291	N	97.5	Very high	96.5	Very high	115 Å²	115	42.6 Å²	42.6	62%	0.615	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.1	175.6	64.2	-29.3	0	0	0	114	E289 T441	E289-N291 PolarHBondContact O-N 3.05Å; N291-T441 HydrophobicContact CB-CG2 4.34Å
292	N	97.6	Very high	96.4	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.9	-176.7	-60.9	-83.7	0	0	0	110.7	Y288 E289	Y288-N292 CarbonylContact C-O 3.57Å; Y288-N292 VanDerWaalsContact CA-O 3.23Å; Y288-N292 WeakPolarHBondContact CA-O 3.38Å; E289-N292 PolarHBondContact N-O 2.85Å; E289-N292 PolarHBondContact O-N 2.99Å
293	R	98.3	Very high	96.2	Very high	140 Å²	140	43.8 Å²	43.8	53%	0.528	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.9	167.8	-174.6	171.9	167.7	-128.9	0.8	109.2	Y288 T297	Y288-R293 HydrophobicContact CD1-CB 3.99Å; Y288-R293 HydrophobicContact CE1-CB 3.62Å; Y288-R293 HydrophobicContact CE1-CG 4.16Å; R293-T297 PolarHBondContact NH2-OG1 2.78Å
294	V	98.3	Very high	96	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.036	23%	0.229	C	C	.	.			trans	-127.5	119.6	-174.5	175	0	0	0	0	109.7	Y287 E289 L325 N327	Y287-V294 HydrophobicContact CD1-CB 3.77Å; Y287-V294 HydrophobicContact CD1-CG1 3.95Å; Y287-V294 HydrophobicContact CE1-CB 4.02Å; Y287-V294 HydrophobicContact CE1-CG1 3.96Å; Y287-V294 PolarHBondContact O-N 3.47Å; E289-V294 HydrophobicContact CB-CG2 3.93Å; E289-V294 HydrophobicContact CG-CB 4.47Å; E289-V294 HydrophobicContact CG-CG2 3.92Å; V294-L325 HydrophobicContact CG1-CB 4.01Å; V294-N327 HydrophobicContact CG1-CB 4.03Å; V294-N327 HydrophobicContact CG2-CB 3.97Å
295	G	95.9	Very high	95.9	Very high	41 Å²	41	44.2 Å²	44.2	42%	0.423	23%	0.225	S	C	.	.	S	Bend	trans	79.4	-176.4	-177.4	0	0	0	0	0	114.4
296	E	94.2	Very high	95.8	Very high	168 Å²	168	46.8 Å²	46.8	79%	0.785	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-79.2	163.1	177.3	-61.9	-173.5	156.4	0	0	112.1
297	T	96.2	Very high	95.8	Very high	42 Å²	42	46.5 Å²	46.5	26%	0.258	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-80.5	122.2	172.3	-71	0	0	0	0	109.8	V285 R293	V285-T297 CarbonylContact O-C 3.52Å; V285-T297 WeakPolarHBondContact O-CA 3.49Å; R293-T297 PolarHBondContact NH2-OG1 2.78Å
298	F	95.8	Very high	95.7	Very high	29 Å²	29	46.5 Å²	46.5	13%	0.127	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.6	174.2	-179	-90.9	0	0	0	111	S284 V285 A300 I305 R317 F320	S284-F298 CarbonylContact C-O 3.55Å; S284-F298 VanDerWaalsContact CA-O 3.27Å; S284-F298 WeakPolarHBondContact CA-O 3.44Å; V285-F298 HydrophobicContact CB-CB 4.45Å; V285-F298 PolarHBondContact N-O 3.06Å; V285-F298 PolarHBondContact O-N 3.18Å; F298-A300 HydrophobicContact CE1-CB 4.3Å; F298-I305 HydrophobicContact CD1-CD1 4.33Å; F298-I305 HydrophobicContact CE1-CB 4.3Å; F298-I305 HydrophobicContact CE1-CD1 3.9Å; F298-I305 HydrophobicContact CE1-CG2 4.12Å; F298-I305 HydrophobicContact CZ-CG2 4.49Å; F298-R317 WeakPolarHBondContact CZ-O 3.49Å; F298-F320 HydrophobicContact CB-CB 4.24Å; F298-F320 HydrophobicContact CB-CD1 3.55Å; F298-F320 HydrophobicContact CB-CD2 3.97Å; F298-F320 HydrophobicContact CB-CE1 3.75Å; F298-F320 HydrophobicContact CB-CE2 4.14Å; F298-F320 HydrophobicContact CB-CG 3.67Å; F298-F320 HydrophobicContact CB-CZ 4.04Å; F298-F320 HydrophobicContact CD1-CB 4.25Å; F298-F320 HydrophobicContact CD2-CB 3.68Å; F298-F320 HydrophobicContact CD2-CD2 4.07Å; F298-F320 AromaticContact CD2-CG 3.88Å; F298-F320 HydrophobicContact CD2-CG 3.88Å; F298-F320 HydrophobicContact CE2-CB 4.01Å; F298-F320 HydrophobicContact CG-CB 3.8Å; F298-F320 HydrophobicContact CG-CD1 4.02Å; F298-F320 HydrophobicContact CG-CD2 4.27Å; F298-F320 AromaticContact CG-CG 3.79Å; F298-F320 HydrophobicContact CG-CG 3.79Å; F298-F320 HydrophobicContact CZ-CB 4.43Å
299	Q	95.6	Very high	95.7	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.5	-177.4	-65.5	-68	-6.2	0	0	110.8	S301 H452	Q299-S301 PolarHBondContact O-N 2.86Å; Q299-S301 VanDerWaalsContact O-N 3.14Å; Q299-H452 PolarHBondContact OE1-CE1 3.43Å
300	A	93.9	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	97.3	-170.9	0	0	0	0	0	112	H281 W282 C283 F298 I305	H281-A300 WeakPolarHBondContact CA-O 3.46Å; W282-A300 VanDerWaalsContact CD1-O 3.29Å; W282-A300 HydrophobicContact CZ2-CB 4.28Å; W282-A300 PolarHBondContact N-O 2.82Å; C283-A300 VanDerWaalsContact O-CB 3.3Å; C283-A300 WeakPolarHBondContact O-CB 3.36Å; C283-A300 PolarHBondContact O-N 3.33Å; C283-A300 WeakPolarHBondContact SG-CB 3.44Å; F298-A300 HydrophobicContact CE1-CB 4.3Å; A300-I305 HydrophobicContact CB-CD1 3.82Å; A300-I305 HydrophobicContact CB-CG2 4.13Å
301	S	87.8	Confident	95.4	Very high	40 Å²	40	52 Å²	52	28%	0.28	27%	0.273	S	S	.	.			trans	-84.5	-37.9	174.4	-47.8	0	0	0	0	112.6	H281 Q299 R317	H281-S301 PolarHBondContact CE1-OG 2.82Å; H281-S301 PolarHBondContact ND1-OG 2.72Å; Q299-S301 PolarHBondContact O-N 2.86Å; Q299-S301 VanDerWaalsContact O-N 3.14Å; S301-R317 PolarHBondContact OG-NH2 2.74Å
302	S	90.9	Very high	94.9	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.035	26%	0.255	C	S	.	.	S	Bend	trans	-81.6	143.8	172.5	170.5	0	0	0	0	110.7	Q102 W282 S304 I305 N318	Q102-S302 PolarHBondContact OE1-OG 2.65Å; W282-S302 PolarHBondContact NE1-O 3.06Å; S302-S304 PolarHBondContact O-N 3.26Å; S302-S304 VanDerWaalsContact O-N 3.13Å; S302-S304 PolarHBondContact OG-N 2.91Å; S302-S304 VanDerWaalsContact OG-N 3.16Å; S302-S304 PolarHBondContact OG-O 3.08Å; S302-I305 WeakPolarHBondContact O-CG2 3.47Å; S302-N318 VanDerWaalsContact CB-CG 3.43Å; S302-N318 WeakPolarHBondContact CB-OD1 3.28Å
303	R	91	Very high	93.8	Very high	81 Å²	81	51.7 Å²	51.7	31%	0.306	28%	0.277	S	S	.	.	S	Bend	trans	-70.4	3.3	173.2	-68.7	-170.8	174.6	-168.3	-9.1	113.9	E278 Y348 Y349	E278-R303 IonicContact OE2-NH2 3.97Å; E278-R303 PolarHBondContact OE2-NH2 2.86Å; R303-Y348 CarbonylContact O-C 3.55Å; R303-Y348 VanDerWaalsContact O-CA 3.27Å; R303-Y348 WeakPolarHBondContact O-CA 3.07Å; R303-Y349 WeakPolarHBondContact CB-O 3.41Å; R303-Y349 HydrophobicContact CG-CD1 4.2Å; R303-Y349 PolarHBondContact O-N 3.44Å
304	S	93.4	Very high	92.8	Very high	22 Å²	22	48.2 Å²	48.2	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	101.5	-177.6	171.2	0	0	0	0	110.1	S302 H346	S302-S304 PolarHBondContact O-N 3.26Å; S302-S304 VanDerWaalsContact O-N 3.13Å; S302-S304 PolarHBondContact OG-N 2.91Å; S302-S304 VanDerWaalsContact OG-N 3.16Å; S302-S304 PolarHBondContact OG-O 3.08Å; S304-H346 PolarHBondContact OG-NE2 3.09Å
305	I	95.5	Very high	91.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.3	-174.4	68.7	176.8	0	0	0	112.5	W282 V285 F298 A300 S302 I307 N318 H346 L347	W282-I305 HydrophobicContact CZ2-CD1 4.14Å; W282-I305 HydrophobicContact CZ2-CG1 4.27Å; V285-I305 HydrophobicContact CG2-CD1 4.35Å; F298-I305 HydrophobicContact CD1-CD1 4.33Å; F298-I305 HydrophobicContact CE1-CB 4.3Å; F298-I305 HydrophobicContact CE1-CD1 3.9Å; F298-I305 HydrophobicContact CE1-CG2 4.12Å; F298-I305 HydrophobicContact CZ-CG2 4.49Å; A300-I305 HydrophobicContact CB-CD1 3.82Å; A300-I305 HydrophobicContact CB-CG2 4.13Å; S302-I305 WeakPolarHBondContact O-CG2 3.47Å; I305-I307 HydrophobicContact CD1-CD1 4.49Å; I305-N318 VanDerWaalsContact CA-O 3.31Å; I305-N318 WeakPolarHBondContact CA-O 3.4Å; I305-H346 PolarHBondContact O-CD2 2.88Å; I305-L347 HydrophobicContact CD1-CB 4.43Å; I305-L347 HydrophobicContact CD1-CD1 4.37Å; I305-L347 HydrophobicContact CG1-CB 3.89Å; I305-L347 PolarHBondContact N-O 3.07Å; I305-L347 PolarHBondContact O-N 2.86Å
306	L	96.4	Very high	90.6	Very high	54 Å²	54	56.5 Å²	56.5	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.4	174.8	-177.1	67	0	0	0	109.9	D308 N318 R319 F320 K343 H346 V359	L306-D308 WeakPolarHBondContact CD2-OD2 3.25Å; L306-D308 HydrophobicContact CG-CB 4.27Å; L306-N318 PolarHBondContact N-O 3.27Å; L306-R319 HydrophobicContact CB-CG 4.46Å; L306-R319 CarbonylContact O-C 3.59Å; L306-R319 VanDerWaalsContact O-CA 3.28Å; L306-R319 WeakPolarHBondContact O-CA 3.39Å; L306-F320 PolarHBondContact O-N 3.01Å; L306-K343 WeakPolarHBondContact CD1-O 3.4Å; L306-H346 HydrophobicContact CD1-CB 4.29Å; L306-V359 HydrophobicContact CD1-CG2 3.83Å
307	I	98.1	Very high	90	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.7	175.4	-53.3	165.6	0	0	0	107	V285 I305 F320 L322 G344 V345 L347 F427 I447	V285-I307 HydrophobicContact CG1-CD1 4.06Å; V285-I307 HydrophobicContact CG2-CD1 4.23Å; I305-I307 HydrophobicContact CD1-CD1 4.49Å; I307-F320 WeakPolarHBondContact CA-O 3.27Å; I307-F320 HydrophobicContact CB-CB 4.44Å; I307-F320 HydrophobicContact CG1-CB 4.11Å; I307-F320 HydrophobicContact CG1-CD1 4.44Å; I307-F320 HydrophobicContact CG2-CB 4.26Å; I307-F320 HydrophobicContact CG2-CD1 4.03Å; I307-F320 HydrophobicContact CG2-CG 4.42Å; I307-L322 HydrophobicContact CG2-CD1 3.86Å; I307-L322 HydrophobicContact CG2-CD2 4.12Å; I307-L322 HydrophobicContact CG2-CG 3.94Å; I307-G344 CarbonylContact O-C 3.6Å; I307-G344 VanDerWaalsContact O-CA 3.29Å; I307-G344 WeakPolarHBondContact O-CA 3.42Å; I307-V345 HydrophobicContact CB-CG1 3.86Å; I307-V345 HydrophobicContact CD1-CG1 4.16Å; I307-V345 HydrophobicContact CG1-CG1 4.45Å; I307-V345 PolarHBondContact N-O 2.87Å; I307-V345 PolarHBondContact O-N 2.9Å; I307-L347 HydrophobicContact CD1-CD1 3.58Å; I307-L347 HydrophobicContact CD1-CG 4.1Å; I307-F427 HydrophobicContact CG2-CZ 4.12Å; I307-I447 HydrophobicContact CD1-CD1 3.67Å
308	D	98	Very high	89.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.7	-166.6	76.3	43.3	0	0	0	114.3	L306 F310 R319 F320 L322 G342 K343	L306-D308 WeakPolarHBondContact CD2-OD2 3.25Å; L306-D308 HydrophobicContact CG-CB 4.27Å; D308-F310 HydrophobicContact CB-CD2 4.11Å; D308-F310 WeakPolarHBondContact OD1-CA 3.4Å; D308-F310 VanDerWaalsContact OD1-CB 3.29Å; D308-F310 WeakPolarHBondContact OD1-CB 3.34Å; D308-F310 PolarHBondContact OD1-N 2.85Å; D308-R319 IonicContact OD1-NE 3.99Å; D308-R319 IonicContact OD1-NH2 2.9Å; D308-R319 IonicContact OD2-CZ 3.4Å; D308-R319 IonicContact OD2-NE 2.72Å; D308-R319 PolarHBondContact OD2-NE 3.32Å; D308-R319 IonicContact OD2-NH2 2.85Å; D308-R319 PolarHBondContact OD2-NH2 3.38Å; D308-F320 PolarHBondContact N-O 2.94Å; D308-L322 VanDerWaalsContact O-CB 3.28Å; D308-L322 WeakPolarHBondContact O-CB 3.4Å; D308-L322 WeakPolarHBondContact O-CG 3.38Å; D308-L322 PolarHBondContact O-N 3.49Å; D308-G342 WeakPolarHBondContact CB-O 3.35Å; D308-K343 VanDerWaalsContact CB-O 3.27Å; D308-K343 WeakPolarHBondContact CB-O 3.32Å
309	G	97.7	Very high	89.5	Confident	20 Å²	20	58 Å²	58	21%	0.206	31%	0.307	C	S	.	.	S	Bend	trans	-89.4	7.7	-177.8	0	0	0	0	0	114.6	G323 G342	G309-G323 WeakPolarHBondContact O-CA 3.48Å; G309-G342 PolarHBondContact N-O 2.87Å
310	F	96.4	Very high	89.5	Confident	95 Å²	95	54.8 Å²	54.8	42%	0.417	29%	0.292	S	S	.	.	S	Bend	trans	-89.3	-179	-176.9	-57.8	-64	0	0	0	112	D308 C321 G323 G342 K343	D308-F310 HydrophobicContact CB-CD2 4.11Å; D308-F310 WeakPolarHBondContact OD1-CA 3.4Å; D308-F310 VanDerWaalsContact OD1-CB 3.29Å; D308-F310 WeakPolarHBondContact OD1-CB 3.34Å; D308-F310 PolarHBondContact OD1-N 2.85Å; F310-C321 WeakPolarHBondContact O-CB 3.23Å; F310-G323 WeakPolarHBondContact O-CA 3.2Å; F310-G323 PolarHBondContact O-N 2.9Å; F310-G342 WeakPolarHBondContact CE2-O 3.37Å; F310-K343 HydrophobicContact CE2-CG 4.2Å; F310-K343 HydrophobicContact CZ-CG 4.46Å
311	T	94.5	Very high	89.6	Confident	95 Å²	95	55.2 Å²	55.2	58%	0.583	30%	0.295	S	S	*	.			trans	-124.4	30.9	-167.7	61.3	0	0	0	0	112.6	P313	T311-P313 WeakPolarHBondContact O-CD 3.07Å
312	D	87.8	Confident	90.1	Very high	45 Å²	45	53.3 Å²	53.3	24%	0.241	28%	0.282	C	S	.	.			trans	-66.2	113.4	177.8	172.9	5	0	0	0	109.2	S314 R319 C321 L324	D312-S314 VanDerWaalsContact C-N 3.31Å; D312-S314 VanDerWaalsContact CG-OG 3.32Å; D312-S314 VanDerWaalsContact OD1-CB 3.29Å; D312-S314 WeakPolarHBondContact OD1-CB 3.19Å; D312-S314 PolarHBondContact OD1-N 3.42Å; D312-S314 PolarHBondContact OD1-OG 3.44Å; D312-S314 PolarHBondContact OD2-OG 2.98Å; D312-R319 IonicContact OD2-CZ 2.77Å; D312-R319 IonicContact OD2-NH1 2.73Å; D312-R319 PolarHBondContact OD2-NH1 3.31Å; D312-C321 PolarHBondContact O-SG 3.02Å; D312-L324 WeakPolarHBondContact O-CD2 3.5Å
313	P	74.3	Confident	90.4	Very high	119 Å²	119	54 Å²	54	77%	0.773	29%	0.29	S	S	*	.			trans	-89.5	1.1	-173	38.7	-35.8	0	0	0	112.1	T311	T311-P313 WeakPolarHBondContact O-CD 3.07Å
314	S	76.4	Confident	90.5	Very high	68 Å²	68	54.2 Å²	54.2	48%	0.476	30%	0.297	S	S	.	.	S	Bend	trans	-64	142.7	174.3	66.3	0	0	0	0	109.6	D312 N316	D312-S314 VanDerWaalsContact C-N 3.31Å; D312-S314 VanDerWaalsContact CG-OG 3.32Å; D312-S314 VanDerWaalsContact OD1-CB 3.29Å; D312-S314 WeakPolarHBondContact OD1-CB 3.19Å; D312-S314 PolarHBondContact OD1-N 3.42Å; D312-S314 PolarHBondContact OD1-OG 3.44Å; D312-S314 PolarHBondContact OD2-OG 2.98Å; S314-N316 PolarHBondContact O-N 3.4Å
315	N	68.6	Low	90.6	Very high	156 Å²	156	54.2 Å²	54.2	83%	0.834	30%	0.295	S	S	*	.			trans	-75	55.8	176.2	-166.6	4.5	0	0	0	110.9	R317	N315-R317 PolarHBondContact O-N 3.25Å
316	N	79.4	Confident	90.6	Very high	64 Å²	64	59.3 Å²	59.3	34%	0.342	33%	0.33	S	S	.	.			trans	-78	98	-178.2	-179.3	-7.4	0	0	0	108.7	S314 N318 R319	S314-N316 PolarHBondContact O-N 3.4Å; N316-N318 PolarHBondContact O-N 3.24Å; N316-N318 PolarHBondContact OD1-N 3.16Å; N316-N318 VanDerWaalsContact OD1-N 3.16Å; N316-R319 HydrophobicContact CB-CB 4.11Å; N316-R319 PolarHBondContact O-N 2.89Å
317	R	81.4	Confident	90.6	Very high	141 Å²	141	58.1 Å²	58.1	53%	0.532	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-2.6	-179	-60.9	-179.2	66.1	164.6	2.1	115.1	F298 S301 N315	F298-R317 WeakPolarHBondContact CZ-O 3.49Å; S301-R317 PolarHBondContact OG-NH2 2.74Å; N315-R317 PolarHBondContact O-N 3.25Å
318	N	88.8	Confident	90.5	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	5.8	178	-53.5	-0.9	0	0	0	112	S302 I305 L306 N316	S302-N318 VanDerWaalsContact CB-CG 3.43Å; S302-N318 WeakPolarHBondContact CB-OD1 3.28Å; I305-N318 VanDerWaalsContact CA-O 3.31Å; I305-N318 WeakPolarHBondContact CA-O 3.4Å; L306-N318 PolarHBondContact N-O 3.27Å; N316-N318 PolarHBondContact O-N 3.24Å; N316-N318 PolarHBondContact OD1-N 3.16Å; N316-N318 VanDerWaalsContact OD1-N 3.16Å
319	R	94	Very high	90.4	Very high	57 Å²	57	70 Å²	70	22%	0.215	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	121.3	-174.4	-168.7	-176.7	-173.3	-174.5	-0.8	112.1	L306 D308 D312 N316	L306-R319 HydrophobicContact CB-CG 4.46Å; L306-R319 CarbonylContact O-C 3.59Å; L306-R319 VanDerWaalsContact O-CA 3.28Å; L306-R319 WeakPolarHBondContact O-CA 3.39Å; D308-R319 IonicContact OD1-NE 3.99Å; D308-R319 IonicContact OD1-NH2 2.9Å; D308-R319 IonicContact OD2-CZ 3.4Å; D308-R319 IonicContact OD2-NE 2.72Å; D308-R319 PolarHBondContact OD2-NE 3.32Å; D308-R319 IonicContact OD2-NH2 2.85Å; D308-R319 PolarHBondContact OD2-NH2 3.38Å; D312-R319 IonicContact OD2-CZ 2.77Å; D312-R319 IonicContact OD2-NH1 2.73Å; D312-R319 PolarHBondContact OD2-NH1 3.31Å; N316-R319 HydrophobicContact CB-CB 4.11Å; N316-R319 PolarHBondContact O-N 2.89Å
320	F	95.8	Very high	90.4	Very high	15 Å²	15	71.6 Å²	71.6	7%	0.066	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	97.4	174.7	-171.5	-164.4	0	0	0	110.2	V285 F298 L306 I307 D308 L322 L325	V285-F320 HydrophobicContact CB-CD1 4.28Å; V285-F320 HydrophobicContact CB-CE1 4.26Å; V285-F320 HydrophobicContact CG1-CD1 4.16Å; V285-F320 HydrophobicContact CG1-CE1 4.05Å; F298-F320 HydrophobicContact CB-CB 4.24Å; F298-F320 HydrophobicContact CB-CD1 3.55Å; F298-F320 HydrophobicContact CB-CD2 3.97Å; F298-F320 HydrophobicContact CB-CE1 3.75Å; F298-F320 HydrophobicContact CB-CE2 4.14Å; F298-F320 HydrophobicContact CB-CG 3.67Å; F298-F320 HydrophobicContact CB-CZ 4.04Å; F298-F320 HydrophobicContact CD1-CB 4.25Å; F298-F320 HydrophobicContact CD2-CB 3.68Å; F298-F320 HydrophobicContact CD2-CD2 4.07Å; F298-F320 AromaticContact CD2-CG 3.88Å; F298-F320 HydrophobicContact CD2-CG 3.88Å; F298-F320 HydrophobicContact CE2-CB 4.01Å; F298-F320 HydrophobicContact CG-CB 3.8Å; F298-F320 HydrophobicContact CG-CD1 4.02Å; F298-F320 HydrophobicContact CG-CD2 4.27Å; F298-F320 AromaticContact CG-CG 3.79Å; F298-F320 HydrophobicContact CG-CG 3.79Å; F298-F320 HydrophobicContact CZ-CB 4.43Å; L306-F320 PolarHBondContact O-N 3.01Å; I307-F320 WeakPolarHBondContact CA-O 3.27Å; I307-F320 HydrophobicContact CB-CB 4.44Å; I307-F320 HydrophobicContact CG1-CB 4.11Å; I307-F320 HydrophobicContact CG1-CD1 4.44Å; I307-F320 HydrophobicContact CG2-CB 4.26Å; I307-F320 HydrophobicContact CG2-CD1 4.03Å; I307-F320 HydrophobicContact CG2-CG 4.42Å; D308-F320 PolarHBondContact N-O 2.94Å; F320-L322 HydrophobicContact CD1-CD2 3.97Å; F320-L322 HydrophobicContact CD2-CD2 4.19Å; F320-L322 HydrophobicContact CE1-CD2 3.78Å; F320-L322 HydrophobicContact CE2-CD2 4.01Å; F320-L322 HydrophobicContact CG-CD2 4.18Å; F320-L322 HydrophobicContact CZ-CD2 3.8Å; F320-L322 PolarHBondContact O-N 3.42Å; F320-L325 HydrophobicContact CE2-CD1 4.07Å; F320-L325 HydrophobicContact CZ-CD1 4.27Å
321	C	96.4	Very high	90.4	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	100.2	-179.6	-63.8	0	0	0	0	110.7	F310 D312 G323 L324	F310-C321 WeakPolarHBondContact O-CB 3.23Å; D312-C321 PolarHBondContact O-SG 3.02Å; C321-G323 VanDerWaalsContact C-N 3.26Å; C321-G323 PolarHBondContact O-N 3.13Å; C321-L324 HydrophobicContact CB-CD2 3.59Å; C321-L324 HydrophobicContact CB-CG 4.22Å; C321-L324 WeakPolarHBondContact O-CG 3.47Å
322	L	97.3	Very high	90.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-71.4	-23.8	178	-55.1	-178.9	0	0	0	112.2	Y287 I307 D308 F320 L324 L325 R338 I341 F427	Y287-L322 HydrophobicContact CD1-CD2 4.26Å; Y287-L322 HydrophobicContact CD2-CD1 3.81Å; Y287-L322 HydrophobicContact CD2-CD2 3.86Å; Y287-L322 HydrophobicContact CD2-CG 4.37Å; Y287-L322 HydrophobicContact CE2-CD1 3.86Å; Y287-L322 HydrophobicContact CE2-CD2 4.49Å; Y287-L322 HydrophobicContact CG-CD2 3.73Å; I307-L322 HydrophobicContact CG2-CD1 3.86Å; I307-L322 HydrophobicContact CG2-CD2 4.12Å; I307-L322 HydrophobicContact CG2-CG 3.94Å; D308-L322 VanDerWaalsContact O-CB 3.28Å; D308-L322 WeakPolarHBondContact O-CB 3.4Å; D308-L322 WeakPolarHBondContact O-CG 3.38Å; D308-L322 PolarHBondContact O-N 3.49Å; F320-L322 HydrophobicContact CD1-CD2 3.97Å; F320-L322 HydrophobicContact CD2-CD2 4.19Å; F320-L322 HydrophobicContact CE1-CD2 3.78Å; F320-L322 HydrophobicContact CE2-CD2 4.01Å; F320-L322 HydrophobicContact CG-CD2 4.18Å; F320-L322 HydrophobicContact CZ-CD2 3.8Å; F320-L322 PolarHBondContact O-N 3.42Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.81Å; L322-L325 HydrophobicContact CD2-CD1 3.98Å; L322-L325 WeakPolarHBondContact O-CB 3.5Å; L322-L325 PolarHBondContact O-N 3.3Å; L322-R338 PolarHBondContact O-NH1 3.19Å; L322-R338 PolarHBondContact O-NH2 3.19Å; L322-I341 HydrophobicContact CD1-CD1 4.13Å; L322-F427 HydrophobicContact CD1-CD2 4.4Å; L322-F427 HydrophobicContact CD1-CE2 3.64Å; L322-F427 HydrophobicContact CD1-CZ 3.94Å
323	G	96.4	Very high	91.1	Very high	21 Å²	21	70.4 Å²	70.4	22%	0.216	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-63.5	-33.4	-174.4	0	0	0	0	0	114.3	G309 F310 C321 L325 R338	G309-G323 WeakPolarHBondContact O-CA 3.48Å; F310-G323 WeakPolarHBondContact O-CA 3.2Å; F310-G323 PolarHBondContact O-N 2.9Å; C321-G323 VanDerWaalsContact C-N 3.26Å; C321-G323 PolarHBondContact O-N 3.13Å; G323-L325 VanDerWaalsContact C-N 3.34Å; G323-R338 VanDerWaalsContact C-NH2 3.3Å; G323-R338 PolarHBondContact O-NH2 2.74Å
324	L	93.8	Very high	92.2	Very high	84 Å²	84	64.8 Å²	64.8	44%	0.44	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-80.7	-10.3	178.7	66.3	89.7	0	0	0	114.1	D312 C321 L322 S326	D312-L324 WeakPolarHBondContact O-CD2 3.5Å; C321-L324 HydrophobicContact CB-CD2 3.59Å; C321-L324 HydrophobicContact CB-CG 4.22Å; C321-L324 WeakPolarHBondContact O-CG 3.47Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.81Å; L324-S326 PolarHBondContact O-N 2.93Å
325	L	95.6	Very high	93.3	Very high	22 Å²	22	66 Å²	66	12%	0.115	36%	0.357	C	S	.	.			trans	-73.4	124.7	-179	-55.6	178.1	0	0	0	111	Y287 V294 F320 L322 G323 R330 R338	Y287-L325 HydrophobicContact CD1-CD1 3.54Å; Y287-L325 HydrophobicContact CE1-CD1 4.23Å; Y287-L325 HydrophobicContact CG-CD1 4.2Å; V294-L325 HydrophobicContact CG1-CB 4.01Å; F320-L325 HydrophobicContact CE2-CD1 4.07Å; F320-L325 HydrophobicContact CZ-CD1 4.27Å; L322-L325 HydrophobicContact CD2-CD1 3.98Å; L322-L325 WeakPolarHBondContact O-CB 3.5Å; L322-L325 PolarHBondContact O-N 3.3Å; G323-L325 VanDerWaalsContact C-N 3.34Å; L325-R330 PolarHBondContact O-NH1 2.84Å; L325-R330 PolarHBondContact O-NH2 2.69Å; L325-R338 PolarHBondContact O-NH2 3.27Å
326	S	95.4	Very high	94.7	Very high	108 Å²	108	62 Å²	62	76%	0.755	34%	0.336	S	S	*	.			trans	-88	144.4	176.5	-67.7	0	0	0	0	112.1	L324	L324-S326 PolarHBondContact O-N 2.93Å
327	N	96.2	Very high	95.6	Very high	29 Å²	29	59.1 Å²	59.1	16%	0.155	32%	0.32	C	S	.	.			trans	-147.7	124.3	170.9	176.4	14.5	0	0	0	108.4	E289 V294 N329 R330	E289-N327 WeakPolarHBondContact OE2-CB 3.44Å; E289-N327 PolarHBondContact OE2-ND2 3.39Å; V294-N327 HydrophobicContact CG1-CB 4.03Å; V294-N327 HydrophobicContact CG2-CB 3.97Å; N327-N329 PolarHBondContact OD1-N 2.56Å; N327-R330 HydrophobicContact CB-CB 4.23Å; N327-R330 VanDerWaalsContact O-CB 3.29Å; N327-R330 WeakPolarHBondContact O-CB 3.36Å
328	V	96.4	Very high	96.4	Very high	143 Å²	143	53.6 Å²	53.6	87%	0.867	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.8	179.5	-62.5	0	0	0	0	112.8	R330	V328-R330 PolarHBondContact O-N 3Å
329	N	95	Very high	96.8	Very high	106 Å²	106	57.6 Å²	57.6	57%	0.567	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	14.5	178.5	-62.2	-25.4	0	0	0	112.4	N327	N327-N329 PolarHBondContact OD1-N 2.56Å
330	R	97.7	Very high	97	Very high	54 Å²	54	59.7 Å²	59.7	20%	0.204	32%	0.321	C	S	.	.			trans	-76.8	126	-175.2	-172.6	175.1	-70	150.1	-2.2	110.6	E289 L325 N327 V328 I334 E335 R338	E289-R330 IonicContact OE1-CZ 3.61Å; E289-R330 IonicContact OE1-NE 3.56Å; E289-R330 PolarHBondContact OE1-NE 3.36Å; E289-R330 IonicContact OE1-NH2 3.77Å; E289-R330 PolarHBondContact OE1-NH2 3.2Å; E289-R330 IonicContact OE2-CZ 2.73Å; E289-R330 IonicContact OE2-NE 3.18Å; E289-R330 PolarHBondContact OE2-NE 3.21Å; E289-R330 IonicContact OE2-NH2 3.54Å; E289-R330 PolarHBondContact OE2-NH2 3.13Å; L325-R330 PolarHBondContact O-NH1 2.84Å; L325-R330 PolarHBondContact O-NH2 2.69Å; N327-R330 HydrophobicContact CB-CB 4.23Å; N327-R330 VanDerWaalsContact O-CB 3.29Å; N327-R330 WeakPolarHBondContact O-CB 3.36Å; V328-R330 PolarHBondContact O-N 3Å; R330-I334 HydrophobicContact CG-CB 3.9Å; R330-I334 HydrophobicContact CG-CG2 3.75Å; R330-E335 HydrophobicContact CG-CG 3.83Å; R330-R338 VanDerWaalsContact CZ-NE 3.32Å; R330-R338 VanDerWaalsContact NH2-CZ 3.26Å
331	N	97.8	Very high	97.1	Very high	66 Å²	66	59 Å²	59	35%	0.353	32%	0.319	S	S	.	.			trans	-101.9	167.1	175.1	68.6	50.2	0	0	0	112	T333 I334 E335	N331-T333 PolarHBondContact O-N 3.47Å; N331-T333 VanDerWaalsContact O-N 3.15Å; N331-T333 WeakPolarHBondContact OD1-CA 3.33Å; N331-T333 WeakPolarHBondContact OD1-CB 3.5Å; N331-T333 PolarHBondContact OD1-N 3.48Å; N331-I334 WeakPolarHBondContact O-CA 3.39Å; N331-I334 WeakPolarHBondContact O-CB 3.27Å; N331-I334 PolarHBondContact O-N 2.62Å; N331-I334 PolarHBondContact OD1-N 3.08Å; N331-I334 VanDerWaalsContact OD1-N 3.09Å; N331-E335 PolarHBondContact O-N 3.48Å
332	S	98.1	Very high	97.2	Very high	76 Å²	76	59.4 Å²	59.4	53%	0.531	32%	0.324	S	S	.	.	H	α-helix	trans	-56.9	-30.4	-177.9	60	0	0	0	0	114.3	N336	S332-N336 VanDerWaalsContact O-CB 3.23Å; S332-N336 WeakPolarHBondContact O-CB 3.22Å; S332-N336 PolarHBondContact O-N 3.45Å; S332-N336 PolarHBondContact O-ND2 2.7Å
333	T	98	Very high	97.1	Very high	68 Å²	68	64.1 Å²	64.1	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-69.9	-37.9	175.9	-63.6	0	0	0	0	111.4	N331 T337 P444	N331-T333 PolarHBondContact O-N 3.47Å; N331-T333 VanDerWaalsContact O-N 3.15Å; N331-T333 WeakPolarHBondContact OD1-CA 3.33Å; N331-T333 WeakPolarHBondContact OD1-CB 3.5Å; N331-T333 PolarHBondContact OD1-N 3.48Å; T333-T337 WeakPolarHBondContact O-CB 3.25Å; T333-T337 PolarHBondContact O-N 2.6Å; T333-T337 PolarHBondContact O-OG1 3.16Å; T333-P444 HydrophobicContact CG2-CB 4.41Å; T333-P444 HydrophobicContact CG2-CG 3.86Å
334	I	98.4	Very high	97.2	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-47.5	174.2	-61.1	161.4	0	0	0	109.9	E289 L290 R330 N331 N336 T337 R338 P444	E289-I334 HydrophobicContact CB-CD1 4.24Å; E289-I334 HydrophobicContact CB-CG2 4.14Å; E289-I334 VanDerWaalsContact CD-CG2 3.47Å; E289-I334 HydrophobicContact CG-CG2 3.81Å; E289-I334 WeakPolarHBondContact OE2-CG2 3.23Å; L290-I334 HydrophobicContact CD1-CD1 4.01Å; L290-I334 HydrophobicContact CG-CD1 4.14Å; R330-I334 HydrophobicContact CG-CB 3.9Å; R330-I334 HydrophobicContact CG-CG2 3.75Å; N331-I334 WeakPolarHBondContact O-CA 3.39Å; N331-I334 WeakPolarHBondContact O-CB 3.27Å; N331-I334 PolarHBondContact O-N 2.62Å; N331-I334 PolarHBondContact OD1-N 3.08Å; N331-I334 VanDerWaalsContact OD1-N 3.09Å; I334-N336 VanDerWaalsContact C-N 3.34Å; I334-N336 PolarHBondContact O-N 3.33Å; I334-T337 WeakPolarHBondContact O-CB 2.97Å; I334-T337 PolarHBondContact O-N 3.37Å; I334-R338 HydrophobicContact CG2-CG 4.27Å; I334-R338 WeakPolarHBondContact O-CG 3.43Å; I334-R338 PolarHBondContact O-N 2.78Å; I334-P444 HydrophobicContact CB-CB 4.36Å; I334-P444 HydrophobicContact CG1-CB 3.85Å
335	E	97.9	Very high	97.4	Very high	94 Å²	94	59.1 Å²	59.1	44%	0.439	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-44.6	175.8	-63.6	-176.4	155.9	0	0	113	R330 N331 T337 R338 R339	R330-E335 HydrophobicContact CG-CG 3.83Å; N331-E335 PolarHBondContact O-N 3.48Å; E335-T337 VanDerWaalsContact C-N 3.29Å; E335-T337 PolarHBondContact O-N 3.13Å; E335-R338 PolarHBondContact O-N 3.32Å; E335-R339 PolarHBondContact O-N 3.22Å
336	N	97.9	Very high	97.6	Very high	72 Å²	72	59.5 Å²	59.5	39%	0.385	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-42	174	-77.3	-31.2	0	0	0	111.2	S332 I334 R339 H340	S332-N336 VanDerWaalsContact O-CB 3.23Å; S332-N336 WeakPolarHBondContact O-CB 3.22Å; S332-N336 PolarHBondContact O-N 3.45Å; S332-N336 PolarHBondContact O-ND2 2.7Å; I334-N336 VanDerWaalsContact C-N 3.34Å; I334-N336 PolarHBondContact O-N 3.33Å; N336-R339 VanDerWaalsContact OD1-CZ 3.22Å; N336-R339 PolarHBondContact OD1-NH1 3.48Å; N336-R339 PolarHBondContact OD1-NH2 3.43Å; N336-H340 PolarHBondContact O-ND1 3.37Å
337	T	98.4	Very high	97.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-68.9	-44.5	180	-58.2	0	0	0	0	111.6	T333 I334 E335 R339 H340 I341 V428 P444 C445	T333-T337 WeakPolarHBondContact O-CB 3.25Å; T333-T337 PolarHBondContact O-N 2.6Å; T333-T337 PolarHBondContact O-OG1 3.16Å; I334-T337 WeakPolarHBondContact O-CB 2.97Å; I334-T337 PolarHBondContact O-N 3.37Å; E335-T337 VanDerWaalsContact C-N 3.29Å; E335-T337 PolarHBondContact O-N 3.13Å; T337-R339 VanDerWaalsContact C-N 3.31Å; T337-R339 PolarHBondContact O-N 2.91Å; T337-H340 PolarHBondContact O-N 2.97Å; T337-I341 PolarHBondContact O-N 2.83Å; T337-V428 HydrophobicContact CG2-CB 4.05Å; T337-V428 HydrophobicContact CG2-CG2 4.11Å; T337-P444 HydrophobicContact CG2-CB 4.09Å; T337-P444 HydrophobicContact CG2-CG 4.39Å; T337-C445 HydrophobicContact CG2-CB 3.9Å
338	R	98.5	Very high	97.7	Very high	25 Å²	25	53.9 Å²	53.9	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-43	177.6	-71.7	170.5	62.8	75.7	3.2	112.6	Y287 E289 L322 G323 L325 R330 I334 E335 H340 I341 C445	Y287-R338 PolarHBondContact OH-NH1 2.68Å; Y287-R338 VanDerWaalsContact OH-NH1 3.07Å; E289-R338 WeakPolarHBondContact OE1-CD 3.46Å; E289-R338 IonicContact OE1-CZ 3.35Å; E289-R338 IonicContact OE1-NE 2.91Å; E289-R338 IonicContact OE1-NH1 2.68Å; E289-R338 PolarHBondContact OE1-NH1 2.99Å; L322-R338 PolarHBondContact O-NH1 3.19Å; L322-R338 PolarHBondContact O-NH2 3.19Å; G323-R338 VanDerWaalsContact C-NH2 3.3Å; G323-R338 PolarHBondContact O-NH2 2.74Å; L325-R338 PolarHBondContact O-NH2 3.27Å; R330-R338 VanDerWaalsContact CZ-NE 3.32Å; R330-R338 VanDerWaalsContact NH2-CZ 3.26Å; I334-R338 HydrophobicContact CG2-CG 4.27Å; I334-R338 WeakPolarHBondContact O-CG 3.43Å; I334-R338 PolarHBondContact O-N 2.78Å; E335-R338 PolarHBondContact O-N 3.32Å; R338-H340 PolarHBondContact O-N 3.01Å; R338-I341 HydrophobicContact CG-CD1 4.49Å; R338-I341 WeakPolarHBondContact O-CB 3.35Å; R338-I341 PolarHBondContact O-N 3.02Å; R338-I341 VanDerWaalsContact O-N 3.1Å; R338-C445 VanDerWaalsContact CG-SG 3.54Å
339	R	98.1	Very high	97.6	Very high	156 Å²	156	47.4 Å²	47.4	59%	0.589	24%	0.235	S	C	*	.	H	α-helix	trans	-59.2	-27.4	175.7	-78.4	-177.1	-101.3	109.6	0.1	113.7	E335 N336 T337	E335-R339 PolarHBondContact O-N 3.22Å; N336-R339 VanDerWaalsContact OD1-CZ 3.22Å; N336-R339 PolarHBondContact OD1-NH1 3.48Å; N336-R339 PolarHBondContact OD1-NH2 3.43Å; T337-R339 VanDerWaalsContact C-N 3.31Å; T337-R339 PolarHBondContact O-N 2.91Å
340	H	98.1	Very high	97.5	Very high	102 Å²	102	43 Å²	43	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-93.8	-3.3	179.1	-67.7	84	0	0	0	113.9	N336 T337 R338 G342 S360 V428	N336-H340 PolarHBondContact O-ND1 3.37Å; T337-H340 PolarHBondContact O-N 2.97Å; R338-H340 PolarHBondContact O-N 3.01Å; H340-G342 VanDerWaalsContact C-N 3.32Å; H340-S360 PolarHBondContact O-OG 3.1Å; H340-V428 HydrophobicContact CB-CG1 4.09Å; H340-V428 HydrophobicContact CB-CG2 3.66Å
341	I	98.6	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-45.8	170.4	-60	176.8	0	0	0	108.8	L322 T337 R338 K343 G344 S360 F427 C445	L322-I341 HydrophobicContact CD1-CD1 4.13Å; T337-I341 PolarHBondContact O-N 2.83Å; R338-I341 HydrophobicContact CG-CD1 4.49Å; R338-I341 WeakPolarHBondContact O-CB 3.35Å; R338-I341 PolarHBondContact O-N 3.02Å; R338-I341 VanDerWaalsContact O-N 3.1Å; I341-K343 PolarHBondContact O-N 2.85Å; I341-G344 WeakPolarHBondContact O-CA 3.45Å; I341-G344 PolarHBondContact O-N 2.9Å; I341-S360 VanDerWaalsContact O-CB 3.23Å; I341-S360 WeakPolarHBondContact O-CB 3.49Å; I341-S360 PolarHBondContact O-OG 3.3Å; I341-F427 HydrophobicContact CD1-CB 4.43Å; I341-F427 HydrophobicContact CD1-CD2 4.24Å; I341-F427 HydrophobicContact CD1-CG 4.29Å; I341-F427 HydrophobicContact CG1-CB 3.9Å; I341-F427 HydrophobicContact CG1-CD1 4.44Å; I341-F427 HydrophobicContact CG1-CD2 4.5Å; I341-F427 HydrophobicContact CG1-CG 4.05Å; I341-F427 HydrophobicContact CG2-CD1 3.94Å; I341-F427 HydrophobicContact CG2-CE1 4.11Å; I341-F427 HydrophobicContact CG2-CG 4.33Å; I341-C445 HydrophobicContact CD1-CB 4.19Å
342	G	97	Very high	96.7	Very high	17 Å²	17	37.9 Å²	37.9	18%	0.175	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-123.2	176.6	0	0	0	0	0	111.4	D308 G309 F310 H340 G344	D308-G342 WeakPolarHBondContact CB-O 3.35Å; G309-G342 PolarHBondContact N-O 2.87Å; F310-G342 WeakPolarHBondContact CE2-O 3.37Å; H340-G342 VanDerWaalsContact C-N 3.32Å; G342-G344 PolarHBondContact O-N 2.95Å
343	K	96.4	Very high	96.6	Very high	98 Å²	98	36 Å²	36	43%	0.426	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.4	174.8	-55.6	156.3	-165.1	142.8	0	113.6	L306 D308 F310 I341 V359 D361	L306-K343 WeakPolarHBondContact CD1-O 3.4Å; D308-K343 VanDerWaalsContact CB-O 3.27Å; D308-K343 WeakPolarHBondContact CB-O 3.32Å; F310-K343 HydrophobicContact CE2-CG 4.2Å; F310-K343 HydrophobicContact CZ-CG 4.46Å; I341-K343 PolarHBondContact O-N 2.85Å; K343-V359 HydrophobicContact CB-CB 4.29Å; K343-V359 HydrophobicContact CB-CG2 3.91Å; K343-V359 WeakPolarHBondContact CB-O 3.4Å; K343-V359 WeakPolarHBondContact CD-O 3.38Å; K343-V359 VanDerWaalsContact O-CG2 3.28Å; K343-V359 WeakPolarHBondContact O-CG2 3.35Å; K343-D361 IonicContact NZ-OD1 2.59Å; K343-D361 PolarHBondContact NZ-OD1 3.12Å; K343-D361 IonicContact NZ-OD2 3.71Å
344	G	98.2	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.			trans	66.9	-126.9	173.9	0	0	0	0	0	115.2	I307 I341 G342 V359 S360	I307-G344 CarbonylContact O-C 3.6Å; I307-G344 VanDerWaalsContact O-CA 3.29Å; I307-G344 WeakPolarHBondContact O-CA 3.42Å; I341-G344 WeakPolarHBondContact O-CA 3.45Å; I341-G344 PolarHBondContact O-N 2.9Å; G342-G344 PolarHBondContact O-N 2.95Å; G344-V359 WeakPolarHBondContact O-CG2 3.27Å; G344-V359 PolarHBondContact O-N 3.33Å; G344-S360 WeakPolarHBondContact O-CB 3.42Å; G344-S360 PolarHBondContact O-N 2.73Å
345	V	98.6	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	-175.9	62.8	0	0	0	0	110.7	I307 L347 A356 E357 I364 M425 F427 I447	I307-V345 HydrophobicContact CB-CG1 3.86Å; I307-V345 HydrophobicContact CD1-CG1 4.16Å; I307-V345 HydrophobicContact CG1-CG1 4.45Å; I307-V345 PolarHBondContact N-O 2.87Å; I307-V345 PolarHBondContact O-N 2.9Å; V345-L347 HydrophobicContact CG2-CD2 3.9Å; V345-L347 HydrophobicContact CG2-CG 4.48Å; V345-A356 HydrophobicContact CG2-CB 4.11Å; V345-E357 WeakPolarHBondContact CA-O 3.25Å; V345-E357 WeakPolarHBondContact CG2-O 3.22Å; V345-I364 HydrophobicContact CB-CD1 3.95Å; V345-I364 HydrophobicContact CG2-CD1 3.52Å; V345-M425 HydrophobicContact CB-SD 4.03Å; V345-M425 HydrophobicContact CG1-SD 3.76Å; V345-M425 HydrophobicContact CG2-CE 3.96Å; V345-M425 HydrophobicContact CG2-SD 3.87Å; V345-F427 HydrophobicContact CB-CE1 4.32Å; V345-F427 HydrophobicContact CG1-CE1 3.86Å; V345-F427 HydrophobicContact CG1-CZ 4.05Å; V345-I447 HydrophobicContact CG1-CD1 4.5Å
346	H	97.8	Very high	96.6	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.139	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.2	169.1	178.6	-167.9	0	0	0	108.2	H105 S304 I305 L306 E357 V359	H105-H346 AromaticContact CD2-CE1 3.9Å; H105-H346 AromaticContact NE2-CE1 3.32Å; H105-H346 PolarHBondContact NE2-CE1 3.33Å; H105-H346 VanDerWaalsContact NE2-CE1 3.32Å; H105-H346 AromaticContact NE2-ND1 3.82Å; S304-H346 PolarHBondContact OG-NE2 3.09Å; I305-H346 PolarHBondContact O-CD2 2.88Å; L306-H346 HydrophobicContact CD1-CB 4.29Å; H346-E357 HydrophobicContact CB-CB 4.36Å; H346-E357 PolarHBondContact N-O 2.83Å; H346-E357 PolarHBondContact O-N 3.14Å; H346-V359 HydrophobicContact CB-CG1 4.11Å; H346-V359 HydrophobicContact CB-CG2 4.48Å
347	L	98.1	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.2	172.1	-58.4	-178	0	0	0	109.5	W282 I305 I307 V345 Y355 A356 I393 M425 I449	W282-L347 HydrophobicContact CH2-CB 4.16Å; I305-L347 HydrophobicContact CD1-CB 4.43Å; I305-L347 HydrophobicContact CD1-CD1 4.37Å; I305-L347 HydrophobicContact CG1-CB 3.89Å; I305-L347 PolarHBondContact N-O 3.07Å; I305-L347 PolarHBondContact O-N 2.86Å; I307-L347 HydrophobicContact CD1-CD1 3.58Å; I307-L347 HydrophobicContact CD1-CG 4.1Å; V345-L347 HydrophobicContact CG2-CD2 3.9Å; V345-L347 HydrophobicContact CG2-CG 4.48Å; L347-Y355 WeakPolarHBondContact CA-O 3.44Å; L347-A356 HydrophobicContact CD2-CB 3.64Å; L347-I393 HydrophobicContact CD2-CD1 4.23Å; L347-M425 HydrophobicContact CD2-CE 4.08Å; L347-I449 HydrophobicContact CD1-CD1 3.66Å; L347-I449 HydrophobicContact CD1-CG1 4.26Å
348	Y	95.8	Very high	96.6	Very high	19 Å²	19	29.1 Å²	29.1	8%	0.075	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.4	175	58.3	-90	0	0	0	112.4	H105 R303 V350 V354 Y355 E357 S390	H105-Y348 HydrophobicContact CB-CD2 3.54Å; H105-Y348 HydrophobicContact CB-CE2 3.53Å; H105-Y348 HydrophobicContact CB-CG 4.25Å; H105-Y348 AromaticContact CD2-CD1 3.44Å; H105-Y348 VanDerWaalsContact CD2-CD1 3.44Å; H105-Y348 WeakPolarHBondContact CD2-CD1 2.98Å; H105-Y348 AromaticContact CD2-CD2 3.6Å; H105-Y348 AromaticContact CD2-CE1 3.68Å; H105-Y348 AromaticContact CD2-CE2 3.83Å; H105-Y348 AromaticContact CD2-CG 3.4Å; H105-Y348 AromaticContact CD2-CZ 3.87Å; H105-Y348 AromaticContact CE1-CD1 3.81Å; H105-Y348 AromaticContact CE1-CE1 3.27Å; H105-Y348 WeakPolarHBondContact CE1-CE1 3.47Å; H105-Y348 AromaticContact CE1-CZ 3.42Å; H105-Y348 VanDerWaalsContact CE1-CZ 3.42Å; H105-Y348 AromaticContact CG-CD1 3.99Å; H105-Y348 AromaticContact CG-CD2 3.5Å; H105-Y348 VanDerWaalsContact CG-CD2 3.5Å; H105-Y348 AromaticContact CG-CE1 3.87Å; H105-Y348 AromaticContact CG-CE2 3.36Å; H105-Y348 AromaticContact CG-CG 3.81Å; H105-Y348 AromaticContact CG-CZ 3.56Å; H105-Y348 AromaticContact ND1-CE1 3.64Å; H105-Y348 AromaticContact ND1-CE2 3.54Å; H105-Y348 AromaticContact ND1-CZ 3.27Å; H105-Y348 VanDerWaalsContact ND1-CZ 3.27Å; H105-Y348 AromaticContact NE2-CD1 3.39Å; H105-Y348 WeakPolarHBondContact NE2-CD1 3.44Å; H105-Y348 AromaticContact NE2-CE1 3.37Å; H105-Y348 WeakPolarHBondContact NE2-CE1 3.12Å; H105-Y348 AromaticContact NE2-CG 3.88Å; H105-Y348 AromaticContact NE2-CZ 3.86Å; R303-Y348 CarbonylContact O-C 3.55Å; R303-Y348 VanDerWaalsContact O-CA 3.27Å; R303-Y348 WeakPolarHBondContact O-CA 3.07Å; Y348-V350 HydrophobicContact CD2-CG1 3.89Å; Y348-V350 HydrophobicContact CE2-CG1 4.1Å; Y348-V354 WeakPolarHBondContact O-CA 3.48Å; Y348-Y355 AromaticContact CD2-CD2 3.94Å; Y348-Y355 HydrophobicContact CD2-CD2 3.94Å; Y348-Y355 HydrophobicContact CD2-CG 4.17Å; Y348-Y355 HydrophobicContact CE1-CG 4.46Å; Y348-Y355 HydrophobicContact CE2-CD1 4.19Å; Y348-Y355 AromaticContact CE2-CD2 3.41Å; Y348-Y355 HydrophobicContact CE2-CD2 3.41Å; Y348-Y355 VanDerWaalsContact CE2-CD2 3.41Å; Y348-Y355 HydrophobicContact CE2-CE2 4.24Å; Y348-Y355 AromaticContact CE2-CG 3.39Å; Y348-Y355 HydrophobicContact CE2-CG 3.39Å; Y348-Y355 AromaticContact CZ-CG 3.57Å; Y348-Y355 PolarHBondContact N-O 3.25Å; Y348-Y355 PolarHBondContact O-N 3.24Å; Y348-Y355 WeakPolarHBondContact OH-CB 3.43Å; Y348-E357 HydrophobicContact CE1-CB 4.26Å; Y348-S390 PolarHBondContact OH-OG 3.14Å; Y348-S390 VanDerWaalsContact OH-OG 3.04Å
349	Y	94.8	Very high	96.5	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.9	178.6	177	-124.6	0	0	0	109.6	E278 W282 R303 E353 V354 N396	E278-Y349 VanDerWaalsContact OE1-CE1 3.25Å; E278-Y349 WeakPolarHBondContact OE1-CE1 3.46Å; E278-Y349 VanDerWaalsContact OE1-CZ 3.3Å; E278-Y349 PolarHBondContact OE1-OH 3.2Å; W282-Y349 HydrophobicContact CB-CD1 4.11Å; W282-Y349 HydrophobicContact CD2-CG 4.29Å; W282-Y349 HydrophobicContact CE3-CG 4.23Å; W282-Y349 HydrophobicContact CG-CD1 4.25Å; W282-Y349 HydrophobicContact CG-CG 4.48Å; R303-Y349 WeakPolarHBondContact CB-O 3.41Å; R303-Y349 HydrophobicContact CG-CD1 4.2Å; R303-Y349 PolarHBondContact O-N 3.44Å; Y349-E353 WeakPolarHBondContact CA-O 3.05Å; Y349-E353 WeakPolarHBondContact CD2-O 3.27Å; Y349-V354 HydrophobicContact CD2-CG2 3.78Å; Y349-V354 HydrophobicContact CE2-CG2 4.47Å; Y349-N396 PolarHBondContact OH-ND2 2.74Å
350	V	92.6	Very high	96.5	Very high	12 Å²	12	22.4 Å²	22.4	7%	0.073	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	133.4	-175	64	0	0	0	0	110.3	H105 E106 V134 Y348 G352 E353 Y355	H105-V350 HydrophobicContact CB-CG1 4.39Å; E106-V350 HydrophobicContact CB-CG2 4.46Å; E106-V350 HydrophobicContact CG-CG2 4.17Å; V134-V350 HydrophobicContact CB-CG2 3.71Å; V134-V350 HydrophobicContact CG1-CG2 3.83Å; V134-V350 HydrophobicContact CG2-CG2 4.27Å; Y348-V350 HydrophobicContact CD2-CG1 3.89Å; Y348-V350 HydrophobicContact CE2-CG1 4.1Å; V350-G352 PolarHBondContact O-N 2.94Å; V350-E353 PolarHBondContact N-O 2.97Å; V350-E353 WeakPolarHBondContact O-CB 3.31Å; V350-E353 PolarHBondContact O-N 2.95Å; V350-Y355 HydrophobicContact CG1-CD2 4.16Å; V350-Y355 HydrophobicContact CG1-CE2 4.02Å
351	G	88.7	Confident	96.5	Very high	11 Å²	11	23 Å²	23	11%	0.113	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	27.3	175	0	0	0	0	0	115.3	E135 P137 E353	E135-G351 WeakPolarHBondContact O-CA 3.33Å; P137-G351 WeakPolarHBondContact CD-O 3.39Å; G351-E353 VanDerWaalsContact C-N 3.32Å
352	G	91.6	Very high	96.5	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	10	-173.5	0	0	0	0	0	114.7	V350 N396	V350-G352 PolarHBondContact O-N 2.94Å; G352-N396 WeakPolarHBondContact O-CB 3.21Å; G352-N396 PolarHBondContact O-N 3.32Å
353	E	95.6	Very high	96.5	Very high	35 Å²	35	24.7 Å²	24.7	16%	0.164	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.9	-178.8	-57.2	-176.5	135.5	0	0	111.1	Y349 V350 G351 Y355 K392 F394	Y349-E353 WeakPolarHBondContact CA-O 3.05Å; Y349-E353 WeakPolarHBondContact CD2-O 3.27Å; V350-E353 PolarHBondContact N-O 2.97Å; V350-E353 WeakPolarHBondContact O-CB 3.31Å; V350-E353 PolarHBondContact O-N 2.95Å; G351-E353 VanDerWaalsContact C-N 3.32Å; E353-Y355 HydrophobicContact CB-CD2 4.25Å; E353-Y355 HydrophobicContact CB-CE2 3.58Å; E353-Y355 WeakPolarHBondContact OE2-CE2 3.27Å; E353-Y355 PolarHBondContact OE2-OH 2.73Å; E353-K392 HydrophobicContact CG-CD 4.41Å; E353-K392 VanDerWaalsContact OE1-CE 3.29Å; E353-K392 WeakPolarHBondContact OE1-CE 3.36Å; E353-K392 IonicContact OE1-NZ 2.79Å; E353-K392 PolarHBondContact OE1-NZ 2.82Å; E353-K392 IonicContact OE2-NZ 3.74Å; E353-F394 CarbonylContact C-O 3.6Å; E353-F394 WeakPolarHBondContact CA-O 3.34Å
354	V	97.6	Very high	96.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132	173.7	-172.6	0	0	0	0	109.3	W282 Y348 Y349 I393 F394 L451	W282-V354 HydrophobicContact CE3-CG2 4.31Å; W282-V354 HydrophobicContact CH2-CG1 3.94Å; W282-V354 HydrophobicContact CZ3-CB 4.45Å; W282-V354 HydrophobicContact CZ3-CG1 3.66Å; W282-V354 HydrophobicContact CZ3-CG2 3.85Å; Y348-V354 WeakPolarHBondContact O-CA 3.48Å; Y349-V354 HydrophobicContact CD2-CG2 3.78Å; Y349-V354 HydrophobicContact CE2-CG2 4.47Å; V354-I393 HydrophobicContact CB-CG1 4.15Å; V354-I393 HydrophobicContact CG1-CD1 3.88Å; V354-I393 HydrophobicContact CG1-CG1 3.86Å; V354-I393 WeakPolarHBondContact O-CG1 3.18Å; V354-I393 PolarHBondContact O-N 2.9Å; V354-F394 HydrophobicContact CB-CB 3.84Å; V354-F394 HydrophobicContact CG2-CB 3.98Å; V354-F394 PolarHBondContact N-O 2.94Å; V354-F394 PolarHBondContact O-N 3.17Å; V354-F394 VanDerWaalsContact O-N 3.07Å; V354-L451 HydrophobicContact CG2-CD1 4.35Å; V354-L451 HydrophobicContact CG2-CD2 4.11Å
355	Y	97.9	Very high	96.6	Very high	44 Å²	44	20.7 Å²	20.7	17%	0.173	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.4	177.7	-67.7	-101.9	0	0	0	111.2	L347 Y348 V350 E353 L391 K392	L347-Y355 WeakPolarHBondContact CA-O 3.44Å; Y348-Y355 AromaticContact CD2-CD2 3.94Å; Y348-Y355 HydrophobicContact CD2-CD2 3.94Å; Y348-Y355 HydrophobicContact CD2-CG 4.17Å; Y348-Y355 HydrophobicContact CE1-CG 4.46Å; Y348-Y355 HydrophobicContact CE2-CD1 4.19Å; Y348-Y355 AromaticContact CE2-CD2 3.41Å; Y348-Y355 HydrophobicContact CE2-CD2 3.41Å; Y348-Y355 VanDerWaalsContact CE2-CD2 3.41Å; Y348-Y355 HydrophobicContact CE2-CE2 4.24Å; Y348-Y355 AromaticContact CE2-CG 3.39Å; Y348-Y355 HydrophobicContact CE2-CG 3.39Å; Y348-Y355 AromaticContact CZ-CG 3.57Å; Y348-Y355 PolarHBondContact N-O 3.25Å; Y348-Y355 PolarHBondContact O-N 3.24Å; Y348-Y355 WeakPolarHBondContact OH-CB 3.43Å; V350-Y355 HydrophobicContact CG1-CD2 4.16Å; V350-Y355 HydrophobicContact CG1-CE2 4.02Å; E353-Y355 HydrophobicContact CB-CD2 4.25Å; E353-Y355 HydrophobicContact CB-CE2 3.58Å; E353-Y355 WeakPolarHBondContact OE2-CE2 3.27Å; E353-Y355 PolarHBondContact OE2-OH 2.73Å; Y355-L391 CarbonylContact C-O 3.44Å; Y355-L391 VanDerWaalsContact CA-O 3.31Å; Y355-L391 WeakPolarHBondContact CA-O 3.29Å; Y355-K392 HydrophobicContact CD1-CB 3.95Å; Y355-K392 HydrophobicContact CD1-CG 4.41Å; Y355-K392 HydrophobicContact CE1-CB 3.69Å; Y355-K392 HydrophobicContact CE1-CG 4.03Å; Y355-K392 HydrophobicContact CE2-CG 4.4Å; Y355-K392 VanDerWaalsContact OH-CE 3.32Å; Y355-K392 WeakPolarHBondContact OH-CE 3.36Å
356	A	98.4	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.9	170	0	0	0	0	0	110.2	V345 L347 I385 S390 L391 I393 M425	V345-A356 HydrophobicContact CG2-CB 4.11Å; L347-A356 HydrophobicContact CD2-CB 3.64Å; A356-I385 HydrophobicContact CB-CD1 4.08Å; A356-S390 WeakPolarHBondContact O-CA 3.48Å; A356-L391 PolarHBondContact N-O 3.21Å; A356-L391 PolarHBondContact O-N 3.2Å; A356-I393 HydrophobicContact CB-CD1 4Å; A356-I393 HydrophobicContact CB-CG1 4.34Å; A356-I393 HydrophobicContact CB-CG2 3.88Å; A356-M425 HydrophobicContact CB-CE 3.65Å
357	E	97.9	Very high	96.6	Very high	48 Å²	48	20.9 Å²	20.9	22%	0.224	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.4	174.4	-176.1	176.4	156.9	0	0	110.3	H105 V345 H346 Y348 V359 C389	H105-E357 IonicContact CE1-OE2 2.69Å; H105-E357 PolarHBondContact CE1-OE2 3.24Å; H105-E357 IonicContact NE2-OE2 2.74Å; V345-E357 WeakPolarHBondContact CA-O 3.25Å; V345-E357 WeakPolarHBondContact CG2-O 3.22Å; H346-E357 HydrophobicContact CB-CB 4.36Å; H346-E357 PolarHBondContact N-O 2.83Å; H346-E357 PolarHBondContact O-N 3.14Å; Y348-E357 HydrophobicContact CE1-CB 4.26Å; E357-V359 HydrophobicContact CG-CG1 4.05Å; E357-V359 PolarHBondContact O-N 2.84Å; E357-C389 WeakPolarHBondContact CA-O 3.49Å
358	C	98.2	Very high	96.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.			trans	-80.1	87.9	179	-175.1	0	0	0	0	110.2	S360 S362 I364 I385 P386 G388 C389	C358-S360 VanDerWaalsContact C-N 3.34Å; C358-S362 PolarHBondContact SG-O 3.34Å; C358-I364 HydrophobicContact CB-CD1 3.76Å; C358-I364 HydrophobicContact CB-CG1 3.9Å; C358-I385 HydrophobicContact CB-CB 4.36Å; C358-I385 HydrophobicContact CB-CG2 3.75Å; C358-P386 VanDerWaalsContact CB-O 3.24Å; C358-P386 WeakPolarHBondContact CB-O 3.31Å; C358-G388 PolarHBondContact O-N 2.79Å; C358-C389 PolarHBondContact N-O 2.92Å
359	V	97.3	Very high	96.7	Very high	36 Å²	36	23.8 Å²	23.8	22%	0.218	12%	0.123	C	C	.	.			trans	-82.1	-12.9	178	-64.2	0	0	0	0	113.4	L306 K343 G344 H346 E357	L306-V359 HydrophobicContact CD1-CG2 3.83Å; K343-V359 HydrophobicContact CB-CB 4.29Å; K343-V359 HydrophobicContact CB-CG2 3.91Å; K343-V359 WeakPolarHBondContact CB-O 3.4Å; K343-V359 WeakPolarHBondContact CD-O 3.38Å; K343-V359 VanDerWaalsContact O-CG2 3.28Å; K343-V359 WeakPolarHBondContact O-CG2 3.35Å; G344-V359 WeakPolarHBondContact O-CG2 3.27Å; G344-V359 PolarHBondContact O-N 3.33Å; H346-V359 HydrophobicContact CB-CG1 4.11Å; H346-V359 HydrophobicContact CB-CG2 4.48Å; E357-V359 HydrophobicContact CG-CG1 4.05Å; E357-V359 PolarHBondContact O-N 2.84Å
360	S	97.8	Very high	96.8	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	-64	154.2	169.5	-173.1	0	0	0	0	112.1	H340 I341 G344 C358 S362 S387	H340-S360 PolarHBondContact O-OG 3.1Å; I341-S360 VanDerWaalsContact O-CB 3.23Å; I341-S360 WeakPolarHBondContact O-CB 3.49Å; I341-S360 PolarHBondContact O-OG 3.3Å; G344-S360 WeakPolarHBondContact O-CB 3.42Å; G344-S360 PolarHBondContact O-N 2.73Å; C358-S360 VanDerWaalsContact C-N 3.34Å; S360-S362 WeakPolarHBondContact CB-O 3.39Å; S360-S362 PolarHBondContact OG-N 2.77Å; S360-S362 VanDerWaalsContact OG-N 3.14Å; S360-S362 PolarHBondContact OG-O 2.99Å; S360-S387 WeakPolarHBondContact O-CB 3.47Å; S360-S387 PolarHBondContact O-OG 3.14Å
361	D	97.6	Very high	97	Very high	116 Å²	116	23 Å²	23	62%	0.62	12%	0.119	S	C	*	.	S	Bend	trans	-76.3	-13.5	171.2	-44.2	-42.6	0	0	0	111.2	K343	K343-D361 IonicContact NZ-OD1 2.59Å; K343-D361 PolarHBondContact NZ-OD1 3.12Å; K343-D361 IonicContact NZ-OD2 3.71Å
362	S	98.1	Very high	97.4	Very high	26 Å²	26	22.5 Å²	22.5	18%	0.182	11%	0.114	C	C	.	.	S	Bend	trans	-103.8	145.5	171.4	-68.4	0	0	0	0	112.2	C358 S360	C358-S362 PolarHBondContact SG-O 3.34Å; S360-S362 WeakPolarHBondContact CB-O 3.39Å; S360-S362 PolarHBondContact OG-N 2.77Å; S360-S362 VanDerWaalsContact OG-N 3.14Å; S360-S362 PolarHBondContact OG-O 2.99Å
363	S	98.1	Very high	97.5	Very high	27 Å²	27	27.8 Å²	27.8	19%	0.189	13%	0.134	C	C	.	.			trans	-62.9	150.5	177.4	-50.5	0	0	0	0	113.3	K384 I385 V428	S363-K384 VanDerWaalsContact OG-CE 3.25Å; S363-K384 WeakPolarHBondContact OG-CE 3.36Å; S363-I385 WeakPolarHBondContact CA-O 3.25Å; S363-I385 WeakPolarHBondContact CB-O 3.21Å; S363-V428 WeakPolarHBondContact O-CA 3.34Å; S363-V428 PolarHBondContact O-N 3.03Å
364	I	98.6	Very high	97.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	158.3	166.8	63.2	-174.5	0	0	0	110	V345 C358 I385 M425 S426 F427	V345-I364 HydrophobicContact CB-CD1 3.95Å; V345-I364 HydrophobicContact CG2-CD1 3.52Å; C358-I364 HydrophobicContact CB-CD1 3.76Å; C358-I364 HydrophobicContact CB-CG1 3.9Å; I364-I385 HydrophobicContact CD1-CB 4.3Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CG1-CB 3.74Å; I364-I385 HydrophobicContact CG1-CD1 4.16Å; I364-I385 HydrophobicContact CG1-CG1 4.31Å; I364-I385 HydrophobicContact CG1-CG2 4.46Å; I364-I385 PolarHBondContact N-O 3.15Å; I364-I385 VanDerWaalsContact N-O 3.09Å; I364-I385 PolarHBondContact O-N 2.92Å; I364-M425 HydrophobicContact CB-CG 4.28Å; I364-M425 HydrophobicContact CB-SD 4.37Å; I364-M425 HydrophobicContact CD1-CE 4.07Å; I364-M425 HydrophobicContact CD1-SD 3.87Å; I364-S426 WeakPolarHBondContact CA-O 3.42Å; I364-F427 HydrophobicContact CG2-CD1 3.78Å; I364-F427 HydrophobicContact CG2-CE1 4.26Å
365	F	98.4	Very high	97	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.053	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.3	-174.5	-60	-91.8	0	0	0	108.2	V382 C383 K384 M425 S426 G430 W431 Y435	F365-V382 HydrophobicContact CB-CG1 3.83Å; F365-C383 CarbonylContact C-O 3.59Å; F365-C383 WeakPolarHBondContact CA-O 3.16Å; F365-K384 HydrophobicContact CD1-CB 3.98Å; F365-K384 HydrophobicContact CD1-CG 4.07Å; F365-K384 HydrophobicContact CE1-CB 3.94Å; F365-K384 HydrophobicContact CE1-CD 3.89Å; F365-K384 HydrophobicContact CE1-CG 3.64Å; F365-K384 HydrophobicContact CZ-CD 4.39Å; F365-K384 HydrophobicContact CZ-CG 4.24Å; F365-M425 CarbonylContact O-C 3.55Å; F365-M425 WeakPolarHBondContact O-CA 3.5Å; F365-S426 PolarHBondContact N-O 2.91Å; F365-S426 PolarHBondContact O-N 2.87Å; F365-G430 VanDerWaalsContact CG-CA 3.49Å; F365-W431 HydrophobicContact CB-CE3 4.09Å; F365-W431 HydrophobicContact CB-CZ3 3.67Å; F365-W431 WeakPolarHBondContact O-CH2 3.12Å; F365-W431 VanDerWaalsContact O-CZ3 3.27Å; F365-W431 WeakPolarHBondContact O-CZ3 3.35Å; F365-Y435 HydrophobicContact CD1-CE2 4.18Å; F365-Y435 HydrophobicContact CE1-CE1 4.45Å; F365-Y435 HydrophobicContact CE1-CE2 4.14Å; F365-Y435 AromaticContact CE1-CZ 3.74Å; F365-Y435 WeakPolarHBondContact CE1-OH 3.36Å
366	V	98.3	Very high	96.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.5	-168.7	-175.5	0	0	0	0	111.3	C383 I385 I393 I423 R424 M425	V366-C383 PolarHBondContact N-O 3.43Å; V366-C383 PolarHBondContact O-N 3.13Å; V366-I385 HydrophobicContact CB-CD1 4.49Å; V366-I385 HydrophobicContact CG2-CD1 3.56Å; V366-I385 HydrophobicContact CG2-CG1 4.26Å; V366-I393 HydrophobicContact CG1-CG2 3.96Å; V366-I423 HydrophobicContact CG1-CG2 3.75Å; V366-R424 WeakPolarHBondContact CA-O 3.39Å; V366-M425 HydrophobicContact CG2-CB 4.31Å; V366-M425 HydrophobicContact CG2-CE 3.54Å; V366-M425 HydrophobicContact CG2-CG 3.97Å; V366-M425 HydrophobicContact CG2-SD 4.46Å
367	Q	98.1	Very high	96.4	Very high	32 Å²	32	37.4 Å²	37.4	15%	0.15	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.7	165.6	-176.5	-177	79.1	0	0	108.1	A380 V382 R424 W431	Q367-A380 PolarHBondContact NE2-O 3.06Å; Q367-V382 HydrophobicContact CB-CG2 4.42Å; Q367-R424 HydrophobicContact CB-CB 4.47Å; Q367-R424 PolarHBondContact N-O 2.89Å; Q367-R424 PolarHBondContact O-N 3.19Å; Q367-W431 HydrophobicContact CB-CH2 4.19Å; Q367-W431 HydrophobicContact CB-CZ2 3.63Å
368	S	98.3	Very high	96.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	20%	0.199	C	C	.	.			trans	-126.5	118.3	170.6	167.9	0	0	0	0	108.5	N370 C371 N372 I393	S368-N370 VanDerWaalsContact C-N 3.27Å; S368-N370 PolarHBondContact O-N 3.29Å; S368-N370 PolarHBondContact OG-N 3.37Å; S368-C371 PolarHBondContact O-N 3.38Å; S368-C371 PolarHBondContact OG-N 3.16Å; S368-N372 WeakPolarHBondContact O-CB 3.47Å; S368-N372 PolarHBondContact O-N 2.9Å; S368-N372 PolarHBondContact O-ND2 3.36Å; S368-I393 VanDerWaalsContact CB-O 3.32Å; S368-I393 WeakPolarHBondContact CB-O 3.48Å; S368-I393 PolarHBondContact OG-O 3.16Å
369	R	97	Very high	95.8	Very high	80 Å²	80	40 Å²	40	30%	0.302	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-33.6	178.6	-61.9	-169.8	175.1	-158.3	-6.8	112.3	N372 Y373 P379 E416 K419 M420	R369-N372 PolarHBondContact O-N 2.78Å; R369-Y373 VanDerWaalsContact O-CB 3.27Å; R369-Y373 WeakPolarHBondContact O-CB 3.41Å; R369-Y373 PolarHBondContact O-N 2.8Å; R369-P379 HydrophobicContact CG-CB 4.24Å; R369-E416 IonicContact NH1-OE2 3.32Å; R369-K419 WeakPolarHBondContact CD-O 3.35Å; R369-M420 HydrophobicContact CB-CG 4.44Å; R369-M420 HydrophobicContact CB-SD 3.35Å; R369-M420 WeakPolarHBondContact CB-SD 3.43Å
370	N	97.6	Very high	95.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-46.7	175.7	-178	-78.3	0	0	0	111.4	S368 Q374 F394 N395 M420	S368-N370 VanDerWaalsContact C-N 3.27Å; S368-N370 PolarHBondContact O-N 3.29Å; S368-N370 PolarHBondContact OG-N 3.37Å; N370-Q374 PolarHBondContact O-N 3.27Å; N370-Q374 VanDerWaalsContact O-N 3.09Å; N370-F394 HydrophobicContact CB-CD2 3.39Å; N370-F394 HydrophobicContact CB-CE2 3.58Å; N370-F394 HydrophobicContact CB-CG 4.24Å; N370-F394 WeakPolarHBondContact OD1-CA 3.45Å; N370-N395 PolarHBondContact ND2-O 3.02Å; N370-N395 PolarHBondContact OD1-N 2.8Å; N370-M420 HydrophobicContact CB-CE 4Å
371	C	96.3	Very high	95.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-45.3	175.4	-172.4	0	0	0	0	111.6	S368 Q374 H375 K392	S368-C371 PolarHBondContact O-N 3.38Å; S368-C371 PolarHBondContact OG-N 3.16Å; C371-Q374 PolarHBondContact O-N 3.02Å; C371-H375 PolarHBondContact O-N 3.14Å; C371-H375 PolarHBondContact O-ND1 3.4Å; C371-K392 PolarHBondContact SG-O 2.83Å
372	N	95.8	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-46.6	179.3	-69.4	-13.1	0	0	0	111.3	S368 R369 Q374 H375 G376 F377 H378 P379 T381 C383	S368-N372 WeakPolarHBondContact O-CB 3.47Å; S368-N372 PolarHBondContact O-N 2.9Å; S368-N372 PolarHBondContact O-ND2 3.36Å; R369-N372 PolarHBondContact O-N 2.78Å; N372-Q374 PolarHBondContact O-N 2.72Å; N372-H375 CarbonylContact O-C 3.58Å; N372-H375 PolarHBondContact O-N 3.45Å; N372-G376 PolarHBondContact O-N 3.34Å; N372-G376 VanDerWaalsContact O-N 3.13Å; N372-F377 HydrophobicContact CB-CB 4.11Å; N372-F377 PolarHBondContact O-N 3.16Å; N372-H378 PolarHBondContact ND2-O 3.33Å; N372-P379 PolarHBondContact ND2-O 3.32Å; N372-T381 PolarHBondContact ND2-N 2.86Å; N372-T381 PolarHBondContact ND2-O 3.16Å; N372-C383 PolarHBondContact OD1-SG 2.94Å
373	Y	94.4	Very high	95.4	Very high	114 Å²	114	33.3 Å²	33.3	45%	0.447	18%	0.18	S	C	.	.	H	α-helix	trans	-58.9	-45	176.4	-175.7	-83.3	0	0	0	112.2	R369 H375 G376 L398 L402	R369-Y373 VanDerWaalsContact O-CB 3.27Å; R369-Y373 WeakPolarHBondContact O-CB 3.41Å; R369-Y373 PolarHBondContact O-N 2.8Å; Y373-H375 PolarHBondContact O-N 2.92Å; Y373-H375 VanDerWaalsContact O-N 3.13Å; Y373-G376 PolarHBondContact O-N 3.18Å; Y373-G376 VanDerWaalsContact O-N 3.1Å; Y373-L398 HydrophobicContact CD1-CD1 4.09Å; Y373-L398 HydrophobicContact CD1-CD2 4.32Å; Y373-L398 HydrophobicContact CE1-CD1 4.13Å; Y373-L402 HydrophobicContact CD1-CD1 3.98Å; Y373-L402 HydrophobicContact CD1-CD2 4.41Å; Y373-L402 HydrophobicContact CE1-CD1 4.15Å; Y373-L402 HydrophobicContact CE1-CD2 3.78Å; Y373-L402 HydrophobicContact CE1-CG 4.4Å; Y373-L402 HydrophobicContact CE2-CD2 4.09Å; Y373-L402 HydrophobicContact CG-CD1 4.27Å
374	Q	92.7	Very high	95.3	Very high	71 Å²	71	35.2 Å²	35.2	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-29.7	-179.8	-163	-170	-95.4	0	0	113	N370 C371 N372 L398	N370-Q374 PolarHBondContact O-N 3.27Å; N370-Q374 VanDerWaalsContact O-N 3.09Å; C371-Q374 PolarHBondContact O-N 3.02Å; N372-Q374 PolarHBondContact O-N 2.72Å; Q374-L398 HydrophobicContact CB-CD2 3.65Å; Q374-L398 HydrophobicContact CG-CD2 3.94Å
375	H	89.4	Confident	95.3	Very high	65 Å²	65	35.1 Å²	35.1	30%	0.301	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	9.5	-178.2	-55.2	97.1	0	0	0	113.3	Y177 C371 N372 Y373 F377	Y177-H375 HydrophobicContact CE1-CB 4.02Å; Y177-H375 AromaticContact CE1-CD2 3.71Å; Y177-H375 AromaticContact CE1-CE1 3.99Å; Y177-H375 AromaticContact CE1-CG 3.57Å; Y177-H375 AromaticContact CE1-ND1 3.78Å; Y177-H375 AromaticContact CZ-CE1 3.99Å; Y177-H375 AromaticContact CZ-CG 3.89Å; Y177-H375 AromaticContact CZ-ND1 3.66Å; Y177-H375 PolarHBondContact OH-ND1 3.43Å; C371-H375 PolarHBondContact O-N 3.14Å; C371-H375 PolarHBondContact O-ND1 3.4Å; N372-H375 CarbonylContact O-C 3.58Å; N372-H375 PolarHBondContact O-N 3.45Å; Y373-H375 PolarHBondContact O-N 2.92Å; Y373-H375 VanDerWaalsContact O-N 3.13Å; H375-F377 VanDerWaalsContact C-N 3.27Å; H375-F377 HydrophobicContact CB-CD2 4.23Å; H375-F377 HydrophobicContact CB-CE2 4.17Å; H375-F377 HydrophobicContact CB-CG 4.46Å; H375-F377 HydrophobicContact CB-CZ 4.34Å; H375-F377 PolarHBondContact O-N 2.98Å
376	G	91.5	Very high	95.2	Very high	72 Å²	72	36.2 Å²	36.2	74%	0.742	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	17.8	179.3	0	0	0	0	0	114.9	N372 Y373	N372-G376 PolarHBondContact O-N 3.34Å; N372-G376 VanDerWaalsContact O-N 3.13Å; Y373-G376 PolarHBondContact O-N 3.18Å; Y373-G376 VanDerWaalsContact O-N 3.1Å
377	F	92	Very high	95.1	Very high	76 Å²	76	38.9 Å²	38.9	33%	0.333	21%	0.211	S	C	.	.			trans	-84.7	156.4	177.2	-61.3	-21.3	0	0	0	112	A175 Y177 N372 H375 T381	A175-F377 HydrophobicContact CB-CD2 3.95Å; A175-F377 HydrophobicContact CB-CE2 3.38Å; A175-F377 HydrophobicContact CB-CZ 3.99Å; Y177-F377 HydrophobicContact CD1-CE2 4.47Å; Y177-F377 AromaticContact CE1-CE2 3.55Å; Y177-F377 HydrophobicContact CE1-CE2 3.55Å; Y177-F377 HydrophobicContact CE1-CZ 4.01Å; Y177-F377 HydrophobicContact CE2-CE2 4.34Å; Y177-F377 AromaticContact CZ-CE2 3.47Å; Y177-F377 VanDerWaalsContact CZ-CE2 3.47Å; Y177-F377 WeakPolarHBondContact OH-CD2 3.25Å; Y177-F377 VanDerWaalsContact OH-CE2 3.24Å; Y177-F377 WeakPolarHBondContact OH-CE2 3.47Å; N372-F377 HydrophobicContact CB-CB 4.11Å; N372-F377 PolarHBondContact O-N 3.16Å; H375-F377 VanDerWaalsContact C-N 3.27Å; H375-F377 HydrophobicContact CB-CD2 4.23Å; H375-F377 HydrophobicContact CB-CE2 4.17Å; H375-F377 HydrophobicContact CB-CG 4.46Å; H375-F377 HydrophobicContact CB-CZ 4.34Å; H375-F377 PolarHBondContact O-N 2.98Å; F377-T381 HydrophobicContact CB-CG2 4.22Å; F377-T381 HydrophobicContact CD2-CG2 4.1Å; F377-T381 HydrophobicContact CG-CG2 4.4Å
378	H	93	Very high	94.9	Very high	53 Å²	53	39.8 Å²	39.8	25%	0.245	23%	0.229	C	C	.	.			trans	-57.7	139.7	174.4	-175.1	-94.1	0	0	0	110.5	P172 N372 A380 T381	P172-H378 HydrophobicContact CB-CB 3.46Å; P172-H378 VanDerWaalsContact CB-CB 3.46Å; P172-H378 HydrophobicContact CG-CB 3.86Å; P172-H378 WeakPolarHBondContact CG-ND1 3.43Å; N372-H378 PolarHBondContact ND2-O 3.33Å; H378-A380 PolarHBondContact ND1-N 2.82Å; H378-A380 PolarHBondContact O-N 2.83Å; H378-T381 WeakPolarHBondContact O-CB 3.49Å; H378-T381 PolarHBondContact O-N 3.31Å; H378-T381 PolarHBondContact O-OG1 3.06Å
379	P	92.3	Very high	94.8	Very high	48 Å²	48	41 Å²	41	31%	0.312	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.3	-174.9	-29.5	36.1	0	0	0	114.9	R369 N372	R369-P379 HydrophobicContact CG-CB 4.24Å; N372-P379 PolarHBondContact ND2-O 3.32Å
380	A	93.4	Very high	94.7	Very high	32 Å²	32	38.6 Å²	38.6	26%	0.264	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.7	178.2	0	0	0	0	0	115.6	P172 Q367 H378	P172-A380 HydrophobicContact CG-CB 4.21Å; Q367-A380 PolarHBondContact NE2-O 3.06Å; H378-A380 PolarHBondContact ND1-N 2.82Å; H378-A380 PolarHBondContact O-N 2.83Å
381	T	94.4	Very high	94.6	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.037	23%	0.233	C	C	.	.			trans	-55	138.6	179.7	-74.3	0	0	0	0	111.7	H173 A175 N372 F377 H378	H173-T381 WeakPolarHBondContact O-CG2 3.49Å; H173-T381 PolarHBondContact O-OG1 3.22Å; A175-T381 HydrophobicContact CB-CG2 4.04Å; N372-T381 PolarHBondContact ND2-N 2.86Å; N372-T381 PolarHBondContact ND2-O 3.16Å; F377-T381 HydrophobicContact CB-CG2 4.22Å; F377-T381 HydrophobicContact CD2-CG2 4.1Å; F377-T381 HydrophobicContact CG-CG2 4.4Å; H378-T381 WeakPolarHBondContact O-CB 3.49Å; H378-T381 PolarHBondContact O-N 3.31Å; H378-T381 PolarHBondContact O-OG1 3.06Å
382	V	96.7	Very high	94.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	24%	0.244	C	C	.	.			trans	-104.7	122	176.6	-173.9	0	0	0	0	109.1	N174 A175 F365 Q367 W431	N174-V382 WeakPolarHBondContact CA-O 3.27Å; N174-V382 WeakPolarHBondContact CB-O 3.22Å; A175-V382 PolarHBondContact N-O 3.16Å; F365-V382 HydrophobicContact CB-CG1 3.83Å; Q367-V382 HydrophobicContact CB-CG2 4.42Å; V382-W431 WeakPolarHBondContact CB-O 3.48Å; V382-W431 HydrophobicContact CG1-CD2 4.15Å; V382-W431 HydrophobicContact CG1-CE3 3.95Å; V382-W431 HydrophobicContact CG1-CH2 3.9Å; V382-W431 HydrophobicContact CG1-CZ2 4.11Å; V382-W431 HydrophobicContact CG1-CZ3 3.8Å; V382-W431 HydrophobicContact CG2-CD2 3.99Å; V382-W431 HydrophobicContact CG2-CG 4.31Å; V382-W431 HydrophobicContact CG2-CH2 4.5Å; V382-W431 HydrophobicContact CG2-CZ2 3.87Å; V382-W431 VanDerWaalsContact CG2-O 3.27Å; V382-W431 WeakPolarHBondContact CG2-O 3.28Å
383	C	96.1	Very high	94.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121	-179	-63	0	0	0	0	110.2	A175 Y177 F365 V366 N372 L391	A175-C383 CarbonylContact O-C 3.57Å; A175-C383 VanDerWaalsContact O-CA 3.31Å; A175-C383 WeakPolarHBondContact O-CA 3.29Å; Y177-C383 HydrophobicContact CD2-CB 4.5Å; Y177-C383 HydrophobicContact CE2-CB 3.94Å; Y177-C383 VanDerWaalsContact CE2-SG 3.53Å; F365-C383 CarbonylContact C-O 3.59Å; F365-C383 WeakPolarHBondContact CA-O 3.16Å; V366-C383 PolarHBondContact N-O 3.43Å; V366-C383 PolarHBondContact O-N 3.13Å; N372-C383 PolarHBondContact OD1-SG 2.94Å; C383-L391 HydrophobicContact CB-CD2 4.04Å
384	K	97.1	Very high	95	Very high	67 Å²	67	35.8 Å²	35.8	29%	0.291	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.8	172.8	-178.6	-177.8	178.3	-173.4	0	110.3	A175 S363 F365	A175-K384 PolarHBondContact O-N 3.42Å; S363-K384 VanDerWaalsContact OG-CE 3.25Å; S363-K384 WeakPolarHBondContact OG-CE 3.36Å; F365-K384 HydrophobicContact CD1-CB 3.98Å; F365-K384 HydrophobicContact CD1-CG 4.07Å; F365-K384 HydrophobicContact CE1-CB 3.94Å; F365-K384 HydrophobicContact CE1-CD 3.89Å; F365-K384 HydrophobicContact CE1-CG 3.64Å; F365-K384 HydrophobicContact CZ-CD 4.39Å; F365-K384 HydrophobicContact CZ-CG 4.24Å
385	I	97.6	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.1	170.3	-49.5	174.3	0	0	0	107.8	F181 A356 C358 S363 I364 V366 C389 L391	F181-I385 HydrophobicContact CZ-CG2 4.39Å; A356-I385 HydrophobicContact CB-CD1 4.08Å; C358-I385 HydrophobicContact CB-CB 4.36Å; C358-I385 HydrophobicContact CB-CG2 3.75Å; S363-I385 WeakPolarHBondContact CA-O 3.25Å; S363-I385 WeakPolarHBondContact CB-O 3.21Å; I364-I385 HydrophobicContact CD1-CB 4.3Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CG1-CB 3.74Å; I364-I385 HydrophobicContact CG1-CD1 4.16Å; I364-I385 HydrophobicContact CG1-CG1 4.31Å; I364-I385 HydrophobicContact CG1-CG2 4.46Å; I364-I385 PolarHBondContact N-O 3.15Å; I364-I385 VanDerWaalsContact N-O 3.09Å; I364-I385 PolarHBondContact O-N 2.92Å; V366-I385 HydrophobicContact CB-CD1 4.49Å; V366-I385 HydrophobicContact CG2-CD1 3.56Å; V366-I385 HydrophobicContact CG2-CG1 4.26Å; I385-C389 HydrophobicContact CG2-CB 3.87Å; I385-C389 VanDerWaalsContact CG2-O 3.28Å; I385-C389 WeakPolarHBondContact CG2-O 3.29Å; I385-L391 HydrophobicContact CD1-CB 3.64Å; I385-L391 HydrophobicContact CD1-CD2 4.02Å; I385-L391 HydrophobicContact CD1-CG 4.46Å; I385-L391 HydrophobicContact CG1-CB 3.99Å; I385-L391 HydrophobicContact CG1-CD2 4.02Å
386	P	97.7	Very high	95.4	Very high	34 Å²	34	30.6 Å²	30.6	22%	0.221	20%	0.2	C	C	.	.			trans	-67	164.7	175.3	-19.3	32.4	0	0	0	113.1	T176 C358 G388 C389	T176-P386 HydrophobicContact CG2-CG 4.43Å; C358-P386 VanDerWaalsContact CB-O 3.24Å; C358-P386 WeakPolarHBondContact CB-O 3.31Å; P386-G388 PolarHBondContact O-N 3.24Å; P386-C389 VanDerWaalsContact O-CB 3.3Å; P386-C389 WeakPolarHBondContact O-CB 3.44Å; P386-C389 PolarHBondContact O-N 2.87Å; P386-C389 VanDerWaalsContact O-N 3.11Å
387	S	96.7	Very high	95.5	Very high	58 Å²	58	31.8 Å²	31.8	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	134.2	175	-176.2	0	0	0	0	111.6	S360 C389	S360-S387 WeakPolarHBondContact O-CB 3.47Å; S360-S387 PolarHBondContact O-OG 3.14Å; S387-C389 PolarHBondContact O-N 3.01Å
388	G	93.1	Very high	95.7	Very high	51 Å²	51	29.1 Å²	29.1	53%	0.526	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-0.3	-176.9	0	0	0	0	0	115.5	C358 P386	C358-G388 PolarHBondContact O-N 2.79Å; P386-G388 PolarHBondContact O-N 3.24Å
389	C	95.6	Very high	95.8	Very high	26 Å²	26	26.6 Å²	26.6	18%	0.176	16%	0.163	C	C	.	.			trans	-95.5	150.3	178.8	-60.1	0	0	0	0	111.9	F181 E357 C358 I385 P386 S387	F181-C389 HydrophobicContact CD1-CB 3.8Å; F181-C389 HydrophobicContact CD2-CB 4.16Å; F181-C389 HydrophobicContact CE1-CB 3.64Å; F181-C389 HydrophobicContact CE2-CB 4.01Å; F181-C389 HydrophobicContact CG-CB 4.08Å; F181-C389 HydrophobicContact CZ-CB 3.76Å; E357-C389 WeakPolarHBondContact CA-O 3.49Å; C358-C389 PolarHBondContact N-O 2.92Å; I385-C389 HydrophobicContact CG2-CB 3.87Å; I385-C389 VanDerWaalsContact CG2-O 3.28Å; I385-C389 WeakPolarHBondContact CG2-O 3.29Å; P386-C389 VanDerWaalsContact O-CB 3.3Å; P386-C389 WeakPolarHBondContact O-CB 3.44Å; P386-C389 PolarHBondContact O-N 2.87Å; P386-C389 VanDerWaalsContact O-N 3.11Å; S387-C389 PolarHBondContact O-N 3.01Å
390	S	95.5	Very high	95.8	Very high	31 Å²	31	24.6 Å²	24.6	22%	0.217	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.2	177.4	-175.6	0	0	0	0	111.5	F181 Y348 A356	F181-S390 VanDerWaalsContact CE1-O 3.3Å; F181-S390 WeakPolarHBondContact CE1-O 3.3Å; Y348-S390 PolarHBondContact OH-OG 3.14Å; Y348-S390 VanDerWaalsContact OH-OG 3.04Å; A356-S390 WeakPolarHBondContact O-CA 3.48Å
391	L	96.3	Very high	95.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.1	-178.9	-178.8	63.1	0	0	0	110.6	Y177 Y355 A356 C383 I385 I393	Y177-L391 HydrophobicContact CD2-CD1 3.53Å; Y177-L391 HydrophobicContact CD2-CD2 3.97Å; Y177-L391 HydrophobicContact CD2-CG 4.41Å; Y177-L391 HydrophobicContact CE2-CD1 3.67Å; Y177-L391 HydrophobicContact CE2-CD2 3.77Å; Y177-L391 HydrophobicContact CE2-CG 4.38Å; Y177-L391 HydrophobicContact CG-CD1 4.18Å; Y355-L391 CarbonylContact C-O 3.44Å; Y355-L391 VanDerWaalsContact CA-O 3.31Å; Y355-L391 WeakPolarHBondContact CA-O 3.29Å; A356-L391 PolarHBondContact N-O 3.21Å; A356-L391 PolarHBondContact O-N 3.2Å; C383-L391 HydrophobicContact CB-CD2 4.04Å; I385-L391 HydrophobicContact CD1-CB 3.64Å; I385-L391 HydrophobicContact CD1-CD2 4.02Å; I385-L391 HydrophobicContact CD1-CG 4.46Å; I385-L391 HydrophobicContact CG1-CB 3.99Å; I385-L391 HydrophobicContact CG1-CD2 4.02Å; L391-I393 HydrophobicContact CB-CG2 4.41Å; L391-I393 HydrophobicContact CD2-CG2 4.29Å; L391-I393 HydrophobicContact CG-CG2 4.25Å; L391-I393 PolarHBondContact O-N 2.85Å
392	K	97.3	Very high	95.8	Very high	56 Å²	56	27.8 Å²	27.8	24%	0.243	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	109.1	166.9	-168.8	-171	-51.8	-170.9	0	108.9	E353 Y355 C371 N395	E353-K392 HydrophobicContact CG-CD 4.41Å; E353-K392 VanDerWaalsContact OE1-CE 3.29Å; E353-K392 WeakPolarHBondContact OE1-CE 3.36Å; E353-K392 IonicContact OE1-NZ 2.79Å; E353-K392 PolarHBondContact OE1-NZ 2.82Å; E353-K392 IonicContact OE2-NZ 3.74Å; Y355-K392 HydrophobicContact CD1-CB 3.95Å; Y355-K392 HydrophobicContact CD1-CG 4.41Å; Y355-K392 HydrophobicContact CE1-CB 3.69Å; Y355-K392 HydrophobicContact CE1-CG 4.03Å; Y355-K392 HydrophobicContact CE2-CG 4.4Å; Y355-K392 VanDerWaalsContact OH-CE 3.32Å; Y355-K392 WeakPolarHBondContact OH-CE 3.36Å; C371-K392 PolarHBondContact SG-O 2.83Å; K392-N395 HydrophobicContact CD-CB 4.47Å
393	I	98	Very high	95.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-16	-175.7	59.4	162.1	0	0	0	113.2	L347 V354 A356 V366 S368 L391 I423	L347-I393 HydrophobicContact CD2-CD1 4.23Å; V354-I393 HydrophobicContact CB-CG1 4.15Å; V354-I393 HydrophobicContact CG1-CD1 3.88Å; V354-I393 HydrophobicContact CG1-CG1 3.86Å; V354-I393 WeakPolarHBondContact O-CG1 3.18Å; V354-I393 PolarHBondContact O-N 2.9Å; A356-I393 HydrophobicContact CB-CD1 4Å; A356-I393 HydrophobicContact CB-CG1 4.34Å; A356-I393 HydrophobicContact CB-CG2 3.88Å; V366-I393 HydrophobicContact CG1-CG2 3.96Å; S368-I393 VanDerWaalsContact CB-O 3.32Å; S368-I393 WeakPolarHBondContact CB-O 3.48Å; S368-I393 PolarHBondContact OG-O 3.16Å; L391-I393 HydrophobicContact CB-CG2 4.41Å; L391-I393 HydrophobicContact CD2-CG2 4.29Å; L391-I393 HydrophobicContact CG-CG2 4.25Å; L391-I393 PolarHBondContact O-N 2.85Å; I393-I423 HydrophobicContact CB-CD1 4.29Å; I393-I423 HydrophobicContact CD1-CD1 3.96Å; I393-I423 HydrophobicContact CD1-CG2 4.31Å; I393-I423 HydrophobicContact CG1-CD1 4.22Å
394	F	98.3	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.5	172.2	-160	-93.8	0	0	0	112.5	E353 V354 N370 N396 F399 M420 I423 L451 P454	E353-F394 CarbonylContact C-O 3.6Å; E353-F394 WeakPolarHBondContact CA-O 3.34Å; V354-F394 HydrophobicContact CB-CB 3.84Å; V354-F394 HydrophobicContact CG2-CB 3.98Å; V354-F394 PolarHBondContact N-O 2.94Å; V354-F394 PolarHBondContact O-N 3.17Å; V354-F394 VanDerWaalsContact O-N 3.07Å; N370-F394 HydrophobicContact CB-CD2 3.39Å; N370-F394 HydrophobicContact CB-CE2 3.58Å; N370-F394 HydrophobicContact CB-CG 4.24Å; N370-F394 WeakPolarHBondContact OD1-CA 3.45Å; F394-N396 WeakPolarHBondContact CD1-OD1 3.1Å; F394-N396 VanDerWaalsContact CE1-OD1 3.23Å; F394-N396 WeakPolarHBondContact CE1-OD1 3.45Å; F394-F399 HydrophobicContact CE1-CB 3.9Å; F394-F399 HydrophobicContact CE1-CG 4.33Å; F394-F399 HydrophobicContact CE2-CD2 4.49Å; F394-F399 HydrophobicContact CZ-CB 3.66Å; F394-F399 AromaticContact CZ-CD2 3.82Å; F394-F399 HydrophobicContact CZ-CD2 3.82Å; F394-F399 AromaticContact CZ-CG 3.77Å; F394-F399 HydrophobicContact CZ-CG 3.77Å; F394-M420 WeakPolarHBondContact CE2-O 3.34Å; F394-I423 HydrophobicContact CB-CD1 4.17Å; F394-I423 HydrophobicContact CD2-CD1 4.27Å; F394-L451 HydrophobicContact CB-CD1 3.76Å; F394-L451 HydrophobicContact CD1-CD1 3.7Å; F394-L451 HydrophobicContact CD2-CD1 3.35Å; F394-L451 HydrophobicContact CE1-CD1 4.08Å; F394-L451 HydrophobicContact CE2-CD1 3.76Å; F394-L451 HydrophobicContact CG-CD1 3.32Å; F394-L451 HydrophobicContact CZ-CD1 4.1Å; F394-P454 HydrophobicContact CD1-CG 4.47Å; F394-P454 HydrophobicContact CE1-CB 4.3Å; F394-P454 HydrophobicContact CE1-CG 3.52Å; F394-P454 HydrophobicContact CZ-CB 3.94Å; F394-P454 HydrophobicContact CZ-CG 3.64Å
395	N	96.3	Very high	95.1	Very high	23 Å²	23	31 Å²	31	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.7	172.1	179.4	-16.1	0	0	0	109.9	N370 K392 Q397 L398 F399	N370-N395 PolarHBondContact ND2-O 3.02Å; N370-N395 PolarHBondContact OD1-N 2.8Å; K392-N395 HydrophobicContact CD-CB 4.47Å; N395-Q397 VanDerWaalsContact C-N 3.33Å; N395-Q397 PolarHBondContact O-N 3.41Å; N395-Q397 WeakPolarHBondContact OD1-CB 3.3Å; N395-Q397 PolarHBondContact OD1-N 2.64Å; N395-L398 HydrophobicContact CB-CB 4.08Å; N395-L398 PolarHBondContact O-N 3.04Å; N395-L398 PolarHBondContact OD1-N 3.23Å; N395-F399 PolarHBondContact O-N 2.89Å; N395-F399 VanDerWaalsContact O-N 3.09Å
396	N	95	Very high	94.7	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-32.5	179.6	-73.8	-4.4	0	0	0	112.8	L139 Y276 Y349 G352 F394 F399 A400	L139-N396 HydrophobicContact CD1-CB 3.85Å; Y276-N396 PolarHBondContact OH-ND2 3.32Å; Y349-N396 PolarHBondContact OH-ND2 2.74Å; G352-N396 WeakPolarHBondContact O-CB 3.21Å; G352-N396 PolarHBondContact O-N 3.32Å; F394-N396 WeakPolarHBondContact CD1-OD1 3.1Å; F394-N396 VanDerWaalsContact CE1-OD1 3.23Å; F394-N396 WeakPolarHBondContact CE1-OD1 3.45Å; N396-F399 PolarHBondContact O-N 3.34Å; N396-A400 WeakPolarHBondContact O-CB 3.42Å; N396-A400 PolarHBondContact O-N 2.78Å
397	Q	93.8	Very high	94.2	Very high	96 Å²	96	29.8 Å²	29.8	45%	0.449	17%	0.174	S	C	.	.	H	α-helix	trans	-70	-38.7	179.7	-167.5	177.8	19.6	0	0	111.2	L139 N395 A400 Q401	L139-Q397 HydrophobicContact CD2-CB 4.17Å; L139-Q397 HydrophobicContact CD2-CG 4.47Å; N395-Q397 VanDerWaalsContact C-N 3.33Å; N395-Q397 PolarHBondContact O-N 3.41Å; N395-Q397 WeakPolarHBondContact OD1-CB 3.3Å; N395-Q397 PolarHBondContact OD1-N 2.64Å; Q397-A400 WeakPolarHBondContact O-CB 3.28Å; Q397-A400 PolarHBondContact O-N 2.74Å; Q397-Q401 WeakPolarHBondContact O-CG 3.4Å; Q397-Q401 PolarHBondContact O-N 2.69Å; Q397-Q401 VanDerWaalsContact O-N 3.12Å
398	L	94.7	Very high	93.5	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-43	171	177.6	62	0	0	0	111.1	Y373 Q374 N395 Q401 L402	Y373-L398 HydrophobicContact CD1-CD1 4.09Å; Y373-L398 HydrophobicContact CD1-CD2 4.32Å; Y373-L398 HydrophobicContact CE1-CD1 4.13Å; Q374-L398 HydrophobicContact CB-CD2 3.65Å; Q374-L398 HydrophobicContact CG-CD2 3.94Å; N395-L398 HydrophobicContact CB-CB 4.08Å; N395-L398 PolarHBondContact O-N 3.04Å; N395-L398 PolarHBondContact OD1-N 3.23Å; L398-Q401 PolarHBondContact O-N 3.41Å; L398-L402 HydrophobicContact CD1-CD1 4.28Å; L398-L402 HydrophobicContact CD1-CG 4.43Å; L398-L402 HydrophobicContact CG-CD1 4.17Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 2.85Å
399	F	96.4	Very high	93	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-42.2	176	-178.2	-98.7	0	0	0	112.3	F394 N395 N396 Q401 L402 L403 L417 M420 C421 P454 W457 L458	F394-F399 HydrophobicContact CE1-CB 3.9Å; F394-F399 HydrophobicContact CE1-CG 4.33Å; F394-F399 HydrophobicContact CE2-CD2 4.49Å; F394-F399 HydrophobicContact CZ-CB 3.66Å; F394-F399 AromaticContact CZ-CD2 3.82Å; F394-F399 HydrophobicContact CZ-CD2 3.82Å; F394-F399 AromaticContact CZ-CG 3.77Å; F394-F399 HydrophobicContact CZ-CG 3.77Å; N395-F399 PolarHBondContact O-N 2.89Å; N395-F399 VanDerWaalsContact O-N 3.09Å; N396-F399 PolarHBondContact O-N 3.34Å; F399-Q401 VanDerWaalsContact C-N 3.35Å; F399-Q401 PolarHBondContact O-N 2.99Å; F399-L402 PolarHBondContact O-N 2.76Å; F399-L403 HydrophobicContact CE1-CB 4.5Å; F399-L403 HydrophobicContact CE1-CD2 3.96Å; F399-L403 HydrophobicContact CZ-CD2 4.49Å; F399-L403 WeakPolarHBondContact O-CB 3.25Å; F399-L403 PolarHBondContact O-N 2.76Å; F399-L417 HydrophobicContact CE2-CB 4.25Å; F399-M420 HydrophobicContact CD2-CB 4.23Å; F399-M420 HydrophobicContact CE2-CB 4.12Å; F399-C421 VanDerWaalsContact CE2-SG 3.59Å; F399-P454 HydrophobicContact CD1-CB 3.96Å; F399-P454 HydrophobicContact CE1-CB 3.74Å; F399-P454 HydrophobicContact CE2-CB 4.39Å; F399-P454 HydrophobicContact CG-CB 4.38Å; F399-P454 HydrophobicContact CZ-CB 3.97Å; F399-W457 HydrophobicContact CD1-CE3 4.45Å; F399-L458 HydrophobicContact CZ-CB 4.38Å
400	A	92.9	Very high	92.5	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-45.8	175.7	0	0	0	0	0	112.1	L139 N396 Q397 L403 A404 W457	L139-A400 HydrophobicContact CD2-CB 4.48Å; N396-A400 WeakPolarHBondContact O-CB 3.42Å; N396-A400 PolarHBondContact O-N 2.78Å; Q397-A400 WeakPolarHBondContact O-CB 3.28Å; Q397-A400 PolarHBondContact O-N 2.74Å; A400-L403 PolarHBondContact O-N 2.66Å; A400-A404 WeakPolarHBondContact O-CB 3.18Å; A400-A404 PolarHBondContact O-N 3.04Å; A400-W457 HydrophobicContact CB-CH2 3.5Å; A400-W457 HydrophobicContact CB-CZ3 3.52Å
401	Q	92.9	Very high	92	Very high	102 Å²	102	32 Å²	32	48%	0.477	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-45.1	177.4	-70.9	168.4	-0.4	0	0	111.6	Q397 L398 F399 Q405	Q397-Q401 WeakPolarHBondContact O-CG 3.4Å; Q397-Q401 PolarHBondContact O-N 2.69Å; Q397-Q401 VanDerWaalsContact O-N 3.12Å; L398-Q401 PolarHBondContact O-N 3.41Å; F399-Q401 VanDerWaalsContact C-N 3.35Å; F399-Q401 PolarHBondContact O-N 2.99Å; Q401-Q405 WeakPolarHBondContact O-CB 3.42Å; Q401-Q405 VanDerWaalsContact O-CG 3.25Å; Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 2.98Å
402	L	93.7	Very high	91.6	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-39.5	178	-69.3	172.9	0	0	0	112.5	Y373 L398 F399 S406 M420	Y373-L402 HydrophobicContact CD1-CD1 3.98Å; Y373-L402 HydrophobicContact CD1-CD2 4.41Å; Y373-L402 HydrophobicContact CE1-CD1 4.15Å; Y373-L402 HydrophobicContact CE1-CD2 3.78Å; Y373-L402 HydrophobicContact CE1-CG 4.4Å; Y373-L402 HydrophobicContact CE2-CD2 4.09Å; Y373-L402 HydrophobicContact CG-CD1 4.27Å; L398-L402 HydrophobicContact CD1-CD1 4.28Å; L398-L402 HydrophobicContact CD1-CG 4.43Å; L398-L402 HydrophobicContact CG-CD1 4.17Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 2.85Å; F399-L402 PolarHBondContact O-N 2.76Å; L402-S406 VanDerWaalsContact O-CB 3.25Å; L402-S406 WeakPolarHBondContact O-CB 3.37Å; L402-S406 PolarHBondContact O-N 3.21Å; L402-S406 PolarHBondContact O-OG 2.86Å; L402-M420 HydrophobicContact CD1-CE 3.48Å; L402-M420 VanDerWaalsContact CD1-CE 3.48Å
403	L	93.8	Very high	91.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-50.1	176.4	-179.7	54.7	0	0	0	111.1	V142 F399 A400 Q405 S406 V407 V414 L417 W457 L458 V461	V142-L403 HydrophobicContact CG1-CG 4.44Å; V142-L403 HydrophobicContact CG2-CB 4.4Å; V142-L403 HydrophobicContact CG2-CD2 4Å; V142-L403 HydrophobicContact CG2-CG 3.9Å; F399-L403 HydrophobicContact CE1-CB 4.5Å; F399-L403 HydrophobicContact CE1-CD2 3.96Å; F399-L403 HydrophobicContact CZ-CD2 4.49Å; F399-L403 WeakPolarHBondContact O-CB 3.25Å; F399-L403 PolarHBondContact O-N 2.76Å; A400-L403 PolarHBondContact O-N 2.66Å; L403-Q405 VanDerWaalsContact C-N 3.32Å; L403-Q405 PolarHBondContact O-N 3.06Å; L403-S406 PolarHBondContact O-N 2.96Å; L403-S406 VanDerWaalsContact O-N 3.16Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 3.32Å; L403-V414 HydrophobicContact CD1-CG1 3.9Å; L403-L417 HydrophobicContact CB-CD1 4.17Å; L403-L417 HydrophobicContact CD1-CD1 3.85Å; L403-W457 HydrophobicContact CD2-CD2 4.02Å; L403-W457 HydrophobicContact CD2-CE3 4.39Å; L403-W457 HydrophobicContact CD2-CG 4.04Å; L403-L458 HydrophobicContact CD1-CD1 3.56Å; L403-V461 HydrophobicContact CD1-CB 4.36Å; L403-V461 HydrophobicContact CD1-CG1 4.11Å; L403-V461 HydrophobicContact CD1-CG2 4.41Å; L403-V461 HydrophobicContact CD2-CG2 4.14Å; L403-V461 HydrophobicContact CG-CG2 4.4Å
404	A	90.8	Very high	90.7	Very high	39 Å²	39	34.3 Å²	34.3	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-58.3	-42.6	176.8	0	0	0	0	0	112.4	V142 A400 H408	V142-A404 HydrophobicContact CG2-CB 4.3Å; A400-A404 WeakPolarHBondContact O-CB 3.18Å; A400-A404 PolarHBondContact O-N 3.04Å; A404-H408 PolarHBondContact O-CD2 3.43Å
405	Q	90	Very high	90.3	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-44.4	174.6	-71.6	170.9	21.4	0	0	111.9	Q401 L403 V407 H408 H409	Q401-Q405 WeakPolarHBondContact O-CB 3.42Å; Q401-Q405 VanDerWaalsContact O-CG 3.25Å; Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 2.98Å; L403-Q405 VanDerWaalsContact C-N 3.32Å; L403-Q405 PolarHBondContact O-N 3.06Å; Q405-V407 VanDerWaalsContact C-N 3.3Å; Q405-V407 PolarHBondContact O-N 2.72Å; Q405-H408 PolarHBondContact O-N 2.84Å; Q405-H409 PolarHBondContact O-CE1 3.12Å; Q405-H409 VanDerWaalsContact O-CE1 3.25Å; Q405-H409 PolarHBondContact O-ND1 3.06Å
406	S	89.4	Confident	90.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-27.7	-173.7	-61.1	0	0	0	0	113.7	L402 L403 H408 H409 V414	L402-S406 VanDerWaalsContact O-CB 3.25Å; L402-S406 WeakPolarHBondContact O-CB 3.37Å; L402-S406 PolarHBondContact O-N 3.21Å; L402-S406 PolarHBondContact O-OG 2.86Å; L403-S406 PolarHBondContact O-N 2.96Å; L403-S406 VanDerWaalsContact O-N 3.16Å; S406-H408 VanDerWaalsContact C-N 3.27Å; S406-H408 PolarHBondContact O-N 3Å; S406-H409 WeakPolarHBondContact O-CA 3.27Å; S406-H409 WeakPolarHBondContact O-CB 3.29Å; S406-H409 PolarHBondContact O-N 2.78Å; S406-V414 VanDerWaalsContact C-CG2 3.46Å; S406-V414 WeakPolarHBondContact O-CG2 3.48Å
407	V	88	Confident	90	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-55.2	-41.2	177	167.3	0	0	0	0	112.3	V142 V144 P145 L403 Q405 H409 G410 V414 V461 M465	V142-V407 HydrophobicContact CG1-CG2 3.76Å; V144-V407 HydrophobicContact CG1-CG1 4.44Å; V144-V407 HydrophobicContact CG2-CG1 4.41Å; P145-V407 VanDerWaalsContact CD-CG1 3.48Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 3.32Å; Q405-V407 VanDerWaalsContact C-N 3.3Å; Q405-V407 PolarHBondContact O-N 2.72Å; V407-H409 PolarHBondContact O-N 3.21Å; V407-H409 VanDerWaalsContact O-N 3.16Å; V407-G410 PolarHBondContact O-N 3.43Å; V407-V414 HydrophobicContact CG2-CG2 4.21Å; V407-V461 HydrophobicContact CG2-CG1 3.51Å; V407-M465 HydrophobicContact CG1-CE 4.37Å; V407-M465 HydrophobicContact CG1-SD 4.47Å; V407-M465 HydrophobicContact CG2-SD 4.18Å; V407-M465 WeakPolarHBondContact O-CE 3.1Å
408	H	82.9	Confident	90	Very high	108 Å²	108	41 Å²	41	50%	0.5	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6	177.5	-61	-78.4	0	0	0	114.1	A404 Q405 S406	A404-H408 PolarHBondContact O-CD2 3.43Å; Q405-H408 PolarHBondContact O-N 2.84Å; S406-H408 VanDerWaalsContact C-N 3.27Å; S406-H408 PolarHBondContact O-N 3Å
409	H	82.6	Confident	90	Very high	32 Å²	32	44.2 Å²	44.2	15%	0.148	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	6.7	-177.9	-58.3	93.6	0	0	0	113.2	L154 L156 Q405 S406 V407 V413	L154-H409 PolarHBondContact O-CD2 2.81Å; L154-H409 VanDerWaalsContact O-CD2 3.24Å; L156-H409 VanDerWaalsContact CB-CD2 3.48Å; L156-H409 WeakPolarHBondContact CB-CD2 3.36Å; L156-H409 WeakPolarHBondContact CB-NE2 3.43Å; L156-H409 WeakPolarHBondContact CD1-NE2 3.45Å; Q405-H409 PolarHBondContact O-CE1 3.12Å; Q405-H409 VanDerWaalsContact O-CE1 3.25Å; Q405-H409 PolarHBondContact O-ND1 3.06Å; S406-H409 WeakPolarHBondContact O-CA 3.27Å; S406-H409 WeakPolarHBondContact O-CB 3.29Å; S406-H409 PolarHBondContact O-N 2.78Å; V407-H409 PolarHBondContact O-N 3.21Å; V407-H409 VanDerWaalsContact O-N 3.16Å; H409-V413 HydrophobicContact CB-CB 4.13Å; H409-V413 HydrophobicContact CB-CG1 4.22Å; H409-V413 HydrophobicContact CB-CG2 3.98Å
410	G	83.6	Confident	90	Very high	25 Å²	25	44.9 Å²	44.9	26%	0.258	22%	0.221	S	C	.	.			trans	89.4	170.8	172.8	0	0	0	0	0	115.1	V407 E412 V413 V414	V407-G410 PolarHBondContact O-N 3.43Å; G410-E412 PolarHBondContact O-N 2.95Å; G410-V413 PolarHBondContact O-N 3.08Å; G410-V414 PolarHBondContact O-N 3.28Å
411	F	86.2	Confident	90.2	Very high	48 Å²	48	44.6 Å²	44.6	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-45	-169	-175	-81.3	0	0	0	113.7	V413 V414 Y415 L462 M465 G466 P468	F411-V413 VanDerWaalsContact C-N 3.34Å; F411-V413 PolarHBondContact O-N 3.03Å; F411-V414 PolarHBondContact O-N 2.96Å; F411-Y415 HydrophobicContact CE1-CD2 4.12Å; F411-Y415 HydrophobicContact CE1-CG 4.24Å; F411-Y415 HydrophobicContact CZ-CD2 4.43Å; F411-Y415 WeakPolarHBondContact O-CB 3.28Å; F411-Y415 PolarHBondContact O-N 3.28Å; F411-L462 HydrophobicContact CD2-CD2 3.97Å; F411-L462 HydrophobicContact CE1-CD2 4.39Å; F411-L462 HydrophobicContact CE2-CB 4.39Å; F411-L462 HydrophobicContact CE2-CD2 3.72Å; F411-L462 HydrophobicContact CG-CD2 4.41Å; F411-L462 HydrophobicContact CZ-CD2 3.95Å; F411-M465 HydrophobicContact CD2-CB 4.32Å; F411-G466 WeakPolarHBondContact CD2-O 3.29Å; F411-G466 WeakPolarHBondContact CE2-O 3.37Å; F411-P468 HydrophobicContact CD1-CB 4.45Å; F411-P468 HydrophobicContact CD1-CG 3.76Å; F411-P468 HydrophobicContact CE1-CG 3.69Å; F411-P468 HydrophobicContact CG-CG 4.46Å; F411-P468 HydrophobicContact CZ-CG 4.32Å
412	E	86.9	Confident	90.4	Very high	98 Å²	98	41.1 Å²	41.1	46%	0.458	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-39.5	-175.4	-64.3	-176.4	-179.8	0	0	112.6	G410 Y415 E416	G410-E412 PolarHBondContact O-N 2.95Å; E412-Y415 PolarHBondContact O-N 2.69Å; E412-E416 PolarHBondContact O-N 3.41Å
413	V	87.4	Confident	90.7	Very high	10 Å²	10	41 Å²	41	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-40	-180	-175.6	0	0	0	0	110.7	L157 F160 H409 G410 F411	L157-V413 HydrophobicContact CD1-CG2 4.45Å; L157-V413 HydrophobicContact CG-CG2 4.28Å; F160-V413 HydrophobicContact CD2-CG1 4.13Å; F160-V413 HydrophobicContact CE2-CG1 4.13Å; H409-V413 HydrophobicContact CB-CB 4.13Å; H409-V413 HydrophobicContact CB-CG1 4.22Å; H409-V413 HydrophobicContact CB-CG2 3.98Å; G410-V413 PolarHBondContact O-N 3.08Å; F411-V413 VanDerWaalsContact C-N 3.34Å; F411-V413 PolarHBondContact O-N 3.03Å
414	V	90.1	Very high	90.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-44	173.5	-179.3	0	0	0	0	110.5	L403 S406 V407 G410 F411 E416 L417 L458 V461 L462 M465	L403-V414 HydrophobicContact CD1-CG1 3.9Å; S406-V414 VanDerWaalsContact C-CG2 3.46Å; S406-V414 WeakPolarHBondContact O-CG2 3.48Å; V407-V414 HydrophobicContact CG2-CG2 4.21Å; G410-V414 PolarHBondContact O-N 3.28Å; F411-V414 PolarHBondContact O-N 2.96Å; V414-E416 VanDerWaalsContact C-N 3.32Å; V414-E416 PolarHBondContact O-N 3.33Å; V414-L417 VanDerWaalsContact O-CB 3.22Å; V414-L417 WeakPolarHBondContact O-CB 3.37Å; V414-L417 PolarHBondContact O-N 3.32Å; V414-L458 HydrophobicContact CG1-CD1 3.49Å; V414-L458 VanDerWaalsContact CG1-CD1 3.49Å; V414-L458 WeakPolarHBondContact O-CD1 3.49Å; V414-V461 HydrophobicContact CG1-CG1 4.13Å; V414-L462 HydrophobicContact CB-CD2 3.92Å; V414-L462 HydrophobicContact CG1-CD2 3.56Å; V414-L462 HydrophobicContact CG1-CG 3.89Å; V414-M465 HydrophobicContact CB-SD 4.1Å; V414-M465 HydrophobicContact CG1-SD 4.19Å; V414-M465 HydrophobicContact CG2-CE 3.94Å; V414-M465 HydrophobicContact CG2-SD 3.71Å
415	Y	89.5	Confident	91.3	Very high	133 Å²	133	43.4 Å²	43.4	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-38.3	179	-173.8	-97.8	0	0	0	112.7	F411 E412 L417 T418 L462	F411-Y415 HydrophobicContact CE1-CD2 4.12Å; F411-Y415 HydrophobicContact CE1-CG 4.24Å; F411-Y415 HydrophobicContact CZ-CD2 4.43Å; F411-Y415 WeakPolarHBondContact O-CB 3.28Å; F411-Y415 PolarHBondContact O-N 3.28Å; E412-Y415 PolarHBondContact O-N 2.69Å; Y415-L417 PolarHBondContact O-N 3.16Å; Y415-T418 VanDerWaalsContact O-CB 3.23Å; Y415-T418 WeakPolarHBondContact O-CB 3.23Å; Y415-T418 PolarHBondContact O-N 2.78Å; Y415-T418 PolarHBondContact O-OG1 2.93Å; Y415-L462 HydrophobicContact CD2-CD1 4.19Å
416	E	91	Very high	91.7	Very high	81 Å²	81	38.7 Å²	38.7	38%	0.379	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-25.7	172.9	-82.4	-65	129.5	0	0	113.7	R369 E412 V414 T418 K419	R369-E416 IonicContact NH1-OE2 3.32Å; E412-E416 PolarHBondContact O-N 3.41Å; V414-E416 VanDerWaalsContact C-N 3.32Å; V414-E416 PolarHBondContact O-N 3.33Å; E416-T418 PolarHBondContact O-N 3.32Å; E416-T418 VanDerWaalsContact O-N 3.16Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.38Å; E416-K419 WeakPolarHBondContact OE1-CE 3.17Å; E416-K419 IonicContact OE1-NZ 2.69Å; E416-K419 PolarHBondContact OE1-NZ 2.86Å; E416-K419 WeakPolarHBondContact OE2-CD 3.17Å; E416-K419 WeakPolarHBondContact OE2-CE 3.49Å; E416-K419 IonicContact OE2-NZ 2.94Å; E416-K419 PolarHBondContact OE2-NZ 3.32Å
417	L	93.4	Very high	92.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.8	-16.1	174.2	-60.8	177.6	0	0	0	112.9	F399 L403 V414 Y415 K419 M420 L458	F399-L417 HydrophobicContact CE2-CB 4.25Å; L403-L417 HydrophobicContact CB-CD1 4.17Å; L403-L417 HydrophobicContact CD1-CD1 3.85Å; V414-L417 VanDerWaalsContact O-CB 3.22Å; V414-L417 WeakPolarHBondContact O-CB 3.37Å; V414-L417 PolarHBondContact O-N 3.32Å; Y415-L417 PolarHBondContact O-N 3.16Å; L417-K419 PolarHBondContact O-N 3.13Å; L417-K419 VanDerWaalsContact O-N 3.16Å; L417-M420 HydrophobicContact CB-CG 4.47Å; L417-M420 HydrophobicContact CD2-CG 3.93Å; L417-M420 WeakPolarHBondContact O-CA 3.17Å; L417-M420 WeakPolarHBondContact O-CB 3.46Å; L417-M420 PolarHBondContact O-N 2.88Å; L417-L458 HydrophobicContact CB-CD1 4Å; L417-L458 HydrophobicContact CB-CD2 4.24Å; L417-L458 HydrophobicContact CD1-CD1 4.35Å
418	T	94.6	Very high	92.6	Very high	44 Å²	44	39.8 Å²	39.8	27%	0.27	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-52.9	-37.7	170.2	-52.1	0	0	0	0	110.6	Y415 E416 M420 C421 L455 L458	Y415-T418 VanDerWaalsContact O-CB 3.23Å; Y415-T418 WeakPolarHBondContact O-CB 3.23Å; Y415-T418 PolarHBondContact O-N 2.78Å; Y415-T418 PolarHBondContact O-OG1 2.93Å; E416-T418 PolarHBondContact O-N 3.32Å; E416-T418 VanDerWaalsContact O-N 3.16Å; T418-M420 PolarHBondContact O-N 3.01Å; T418-C421 WeakPolarHBondContact O-CB 3.36Å; T418-C421 PolarHBondContact O-N 3.37Å; T418-C421 VanDerWaalsContact O-N 3.13Å; T418-L455 HydrophobicContact CG2-CD2 4.07Å; T418-L458 VanDerWaalsContact N-CD2 3.31Å; T418-L458 WeakPolarHBondContact OG1-CD2 3.35Å
419	K	94.4	Very high	93.3	Very high	88 Å²	88	38.4 Å²	38.4	38%	0.383	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-73.6	-11.2	178.9	-55	178.3	-168.7	162.6	0	113.3	R369 E416 L417	R369-K419 WeakPolarHBondContact CD-O 3.35Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.38Å; E416-K419 WeakPolarHBondContact OE1-CE 3.17Å; E416-K419 IonicContact OE1-NZ 2.69Å; E416-K419 PolarHBondContact OE1-NZ 2.86Å; E416-K419 WeakPolarHBondContact OE2-CD 3.17Å; E416-K419 WeakPolarHBondContact OE2-CE 3.49Å; E416-K419 IonicContact OE2-NZ 2.94Å; E416-K419 PolarHBondContact OE2-NZ 3.32Å; L417-K419 PolarHBondContact O-N 3.13Å; L417-K419 VanDerWaalsContact O-N 3.16Å
420	M	94.9	Very high	94	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.074	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-77.4	-32.2	169.3	-61.1	-80.5	-74.5	0	0	111.3	R369 N370 F394 F399 L402 L417 T418 T422	R369-M420 HydrophobicContact CB-CG 4.44Å; R369-M420 HydrophobicContact CB-SD 3.35Å; R369-M420 WeakPolarHBondContact CB-SD 3.43Å; N370-M420 HydrophobicContact CB-CE 4Å; F394-M420 WeakPolarHBondContact CE2-O 3.34Å; F399-M420 HydrophobicContact CD2-CB 4.23Å; F399-M420 HydrophobicContact CE2-CB 4.12Å; L402-M420 HydrophobicContact CD1-CE 3.48Å; L402-M420 VanDerWaalsContact CD1-CE 3.48Å; L417-M420 HydrophobicContact CB-CG 4.47Å; L417-M420 HydrophobicContact CD2-CG 3.93Å; L417-M420 WeakPolarHBondContact O-CA 3.17Å; L417-M420 WeakPolarHBondContact O-CB 3.46Å; L417-M420 PolarHBondContact O-N 2.88Å; T418-M420 PolarHBondContact O-N 3.01Å; M420-T422 VanDerWaalsContact C-N 3.26Å; M420-T422 PolarHBondContact O-N 3.34Å
421	C	97.5	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-79.2	-8.1	-177.1	-50.5	0	0	0	0	113.6	F399 T418 L451 P454 L455	F399-C421 VanDerWaalsContact CE2-SG 3.59Å; T418-C421 WeakPolarHBondContact O-CB 3.36Å; T418-C421 PolarHBondContact O-N 3.37Å; T418-C421 VanDerWaalsContact O-N 3.13Å; C421-L451 PolarHBondContact O-N 2.69Å; C421-P454 HydrophobicContact CB-CB 4.24Å; C421-P454 VanDerWaalsContact SG-CB 3.54Å; C421-L455 HydrophobicContact CB-CD1 4.47Å; C421-L455 HydrophobicContact CB-CD2 3.61Å; C421-L455 HydrophobicContact CB-CG 3.62Å
422	T	98.1	Very high	94.9	Very high	29 Å²	29	33.9 Å²	33.9	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.3	174.9	-57.4	0	0	0	0	110.4	M420 E448 I449 H450	M420-T422 VanDerWaalsContact C-N 3.26Å; M420-T422 PolarHBondContact O-N 3.34Å; T422-E448 HydrophobicContact CG2-CG 3.41Å; T422-E448 VanDerWaalsContact CG2-CG 3.41Å; T422-I449 CarbonylContact C-O 3.55Å; T422-I449 WeakPolarHBondContact CA-O 3.36Å; T422-H450 PolarHBondContact OG1-CD2 2.83Å; T422-H450 PolarHBondContact OG1-NE2 2.94Å
423	I	98.7	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134	177.1	-60.8	176.4	0	0	0	108.8	V366 I393 F394 I449 L451	V366-I423 HydrophobicContact CG1-CG2 3.75Å; I393-I423 HydrophobicContact CB-CD1 4.29Å; I393-I423 HydrophobicContact CD1-CD1 3.96Å; I393-I423 HydrophobicContact CD1-CG2 4.31Å; I393-I423 HydrophobicContact CG1-CD1 4.22Å; F394-I423 HydrophobicContact CB-CD1 4.17Å; F394-I423 HydrophobicContact CD2-CD1 4.27Å; I423-I449 HydrophobicContact CB-CB 4.32Å; I423-I449 HydrophobicContact CG2-CD1 4.36Å; I423-I449 PolarHBondContact N-O 3.27Å; I423-I449 PolarHBondContact O-N 3.36Å; I423-L451 HydrophobicContact CD1-CD1 4.07Å
424	R	98.8	Very high	94.4	Very high	90 Å²	90	35.5 Å²	35.5	34%	0.34	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.4	179.7	-70	172.3	169.4	177.3	-1.8	110.4	V366 Q367 W431 W446 E448	V366-R424 WeakPolarHBondContact CA-O 3.39Å; Q367-R424 HydrophobicContact CB-CB 4.47Å; Q367-R424 PolarHBondContact N-O 2.89Å; Q367-R424 PolarHBondContact O-N 3.19Å; R424-W431 HydrophobicContact CB-CH2 4.48Å; R424-W431 HydrophobicContact CB-CZ2 4.32Å; R424-W446 HydrophobicContact CG-CZ3 4.13Å; R424-E448 HydrophobicContact CG-CG 4.19Å; R424-E448 IonicContact CZ-OE1 3Å; R424-E448 IonicContact NE-OE1 3.19Å; R424-E448 PolarHBondContact NE-OE1 3.03Å; R424-E448 IonicContact NH2-OE1 3.14Å; R424-E448 PolarHBondContact NH2-OE1 2.98Å
425	M	98.8	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.4	-179.1	177	-171.8	-64.9	0	0	112.2	V345 L347 A356 I364 F365 V366 W446 I447	V345-M425 HydrophobicContact CB-SD 4.03Å; V345-M425 HydrophobicContact CG1-SD 3.76Å; V345-M425 HydrophobicContact CG2-CE 3.96Å; V345-M425 HydrophobicContact CG2-SD 3.87Å; L347-M425 HydrophobicContact CD2-CE 4.08Å; A356-M425 HydrophobicContact CB-CE 3.65Å; I364-M425 HydrophobicContact CB-CG 4.28Å; I364-M425 HydrophobicContact CB-SD 4.37Å; I364-M425 HydrophobicContact CD1-CE 4.07Å; I364-M425 HydrophobicContact CD1-SD 3.87Å; F365-M425 CarbonylContact O-C 3.55Å; F365-M425 WeakPolarHBondContact O-CA 3.5Å; V366-M425 HydrophobicContact CG2-CB 4.31Å; V366-M425 HydrophobicContact CG2-CE 3.54Å; V366-M425 HydrophobicContact CG2-CG 3.97Å; V366-M425 HydrophobicContact CG2-SD 4.46Å; M425-W446 CarbonylContact O-C 3.56Å; M425-W446 WeakPolarHBondContact O-CA 3.47Å; M425-W446 VanDerWaalsContact O-CB 3.25Å; M425-W446 WeakPolarHBondContact O-CB 3.5Å; M425-I447 HydrophobicContact CB-CD1 4.34Å; M425-I447 HydrophobicContact CB-CG1 3.87Å; M425-I447 HydrophobicContact CG-CG1 4.46Å; M425-I447 PolarHBondContact N-O 2.77Å; M425-I447 PolarHBondContact O-N 3.35Å; M425-I447 HydrophobicContact SD-CD1 4.09Å
426	S	98.8	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.3	174.2	178.4	0	0	0	0	111.4	I364 F365 K429 T443 C445	I364-S426 WeakPolarHBondContact CA-O 3.42Å; F365-S426 PolarHBondContact N-O 2.91Å; F365-S426 PolarHBondContact O-N 2.87Å; S426-K429 WeakPolarHBondContact CB-O 3.48Å; S426-K429 PolarHBondContact OG-O 2.99Å; S426-T443 VanDerWaalsContact OG-CB 3.27Å; S426-T443 WeakPolarHBondContact OG-CB 3.22Å; S426-T443 PolarHBondContact OG-OG1 2.74Å; S426-C445 PolarHBondContact OG-O 2.59Å
427	F	98.8	Very high	94.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.6	174.4	-60.3	-83.8	0	0	0	110.9	I307 L322 I341 V345 I364 K429 C445 I447	I307-F427 HydrophobicContact CG2-CZ 4.12Å; L322-F427 HydrophobicContact CD1-CD2 4.4Å; L322-F427 HydrophobicContact CD1-CE2 3.64Å; L322-F427 HydrophobicContact CD1-CZ 3.94Å; I341-F427 HydrophobicContact CD1-CB 4.43Å; I341-F427 HydrophobicContact CD1-CD2 4.24Å; I341-F427 HydrophobicContact CD1-CG 4.29Å; I341-F427 HydrophobicContact CG1-CB 3.9Å; I341-F427 HydrophobicContact CG1-CD1 4.44Å; I341-F427 HydrophobicContact CG1-CD2 4.5Å; I341-F427 HydrophobicContact CG1-CG 4.05Å; I341-F427 HydrophobicContact CG2-CD1 3.94Å; I341-F427 HydrophobicContact CG2-CE1 4.11Å; I341-F427 HydrophobicContact CG2-CG 4.33Å; V345-F427 HydrophobicContact CB-CE1 4.32Å; V345-F427 HydrophobicContact CG1-CE1 3.86Å; V345-F427 HydrophobicContact CG1-CZ 4.05Å; I364-F427 HydrophobicContact CG2-CD1 3.78Å; I364-F427 HydrophobicContact CG2-CE1 4.26Å; F427-K429 PolarHBondContact O-N 2.72Å; F427-C445 HydrophobicContact CD2-CB 4.41Å; F427-C445 PolarHBondContact N-O 3.03Å; F427-I447 HydrophobicContact CE2-CD1 4.5Å; F427-I447 HydrophobicContact CE2-CG1 4.28Å; F427-I447 HydrophobicContact CE2-CG2 4.04Å; F427-I447 HydrophobicContact CZ-CD1 4.21Å; F427-I447 HydrophobicContact CZ-CG1 4.47Å
428	V	98.3	Very high	94.5	Very high	29 Å²	29	44 Å²	44	18%	0.176	21%	0.208	C	C	.	.	S	Bend	trans	67.1	-33.4	170.6	-166.4	0	0	0	0	115.4	T337 H340 S363	T337-V428 HydrophobicContact CG2-CB 4.05Å; T337-V428 HydrophobicContact CG2-CG2 4.11Å; H340-V428 HydrophobicContact CB-CG1 4.09Å; H340-V428 HydrophobicContact CB-CG2 3.66Å; S363-V428 WeakPolarHBondContact O-CA 3.34Å; S363-V428 PolarHBondContact O-N 3.03Å
429	K	97.6	Very high	94.5	Very high	79 Å²	79	46.7 Å²	46.7	34%	0.343	22%	0.221	S	C	.	.			trans	-120.2	121.3	-175.7	-55	-57.4	178	-169.6	0	111	S426 F427 P444	S426-K429 WeakPolarHBondContact CB-O 3.48Å; S426-K429 PolarHBondContact OG-O 2.99Å; F427-K429 PolarHBondContact O-N 2.72Å; K429-P444 HydrophobicContact CG-CG 4.11Å
430	G	95.9	Very high	94.7	Very high	4 Å²	4	42.9 Å²	42.9	4%	0.041	21%	0.205	C	C	.	.			trans	-75.4	160.9	173.2	0	0	0	0	0	113.5	F365	F365-G430 VanDerWaalsContact CG-CA 3.49Å
431	W	97.4	Very high	94.8	Very high	4 Å²	4	45 Å²	45	2%	0.015	22%	0.219	C	C	.	.			trans	-139.8	163.9	168.3	80.3	100.3	0	0	0	109.2	F365 Q367 V382 R424 Y435 R437 V440 T443	F365-W431 HydrophobicContact CB-CE3 4.09Å; F365-W431 HydrophobicContact CB-CZ3 3.67Å; F365-W431 WeakPolarHBondContact O-CH2 3.12Å; F365-W431 VanDerWaalsContact O-CZ3 3.27Å; F365-W431 WeakPolarHBondContact O-CZ3 3.35Å; Q367-W431 HydrophobicContact CB-CH2 4.19Å; Q367-W431 HydrophobicContact CB-CZ2 3.63Å; V382-W431 WeakPolarHBondContact CB-O 3.48Å; V382-W431 HydrophobicContact CG1-CD2 4.15Å; V382-W431 HydrophobicContact CG1-CE3 3.95Å; V382-W431 HydrophobicContact CG1-CH2 3.9Å; V382-W431 HydrophobicContact CG1-CZ2 4.11Å; V382-W431 HydrophobicContact CG1-CZ3 3.8Å; V382-W431 HydrophobicContact CG2-CD2 3.99Å; V382-W431 HydrophobicContact CG2-CG 4.31Å; V382-W431 HydrophobicContact CG2-CH2 4.5Å; V382-W431 HydrophobicContact CG2-CZ2 3.87Å; V382-W431 VanDerWaalsContact CG2-O 3.27Å; V382-W431 WeakPolarHBondContact CG2-O 3.28Å; R424-W431 HydrophobicContact CB-CH2 4.48Å; R424-W431 HydrophobicContact CB-CZ2 4.32Å; W431-Y435 VanDerWaalsContact O-CD2 3.31Å; W431-Y435 WeakPolarHBondContact O-CD2 3.36Å; W431-R437 CarbonylContact C-O 3.46Å; W431-R437 WeakPolarHBondContact CA-O 3.23Å; W431-R437 HydrophobicContact CB-CB 3.87Å; W431-R437 WeakPolarHBondContact CB-O 3.3Å; W431-V440 HydrophobicContact CD2-CB 4.12Å; W431-V440 HydrophobicContact CD2-CG2 4.04Å; W431-V440 HydrophobicContact CE3-CG2 4.23Å; W431-V440 HydrophobicContact CG-CB 4.36Å; W431-V440 HydrophobicContact CH2-CG2 4.03Å; W431-V440 HydrophobicContact CZ2-CB 4.11Å; W431-V440 HydrophobicContact CZ2-CG2 3.81Å; W431-V440 HydrophobicContact CZ3-CG2 4.24Å; W431-T443 HydrophobicContact CB-CG2 3.82Å; W431-T443 HydrophobicContact CD2-CG2 4.3Å; W431-T443 HydrophobicContact CE3-CG2 4.02Å; W431-T443 HydrophobicContact CG-CG2 4.26Å
432	G	93.1	Very high	94.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	114	-178.2	-172.7	0	0	0	0	0	112.4	E434 Y435 R437 Q438	G432-E434 VanDerWaalsContact C-N 3.27Å; G432-E434 PolarHBondContact O-N 2.85Å; G432-E434 VanDerWaalsContact O-N 3.07Å; G432-Y435 PolarHBondContact O-N 3.19Å; G432-Y435 VanDerWaalsContact O-O 3.14Å; G432-R437 PolarHBondContact N-O 3.3Å; G432-Q438 PolarHBondContact O-NE2 3.39Å
433	A	81.4	Confident	94.8	Very high	37 Å²	37	46.3 Å²	46.3	31%	0.306	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.7	-167.5	0	0	0	0	0	115	M171 P172 Y435	M171-A433 HydrophobicContact CB-CB 3.69Å; P172-A433 WeakPolarHBondContact O-CB 3.4Å; A433-Y435 VanDerWaalsContact C-N 3.3Å; A433-Y435 PolarHBondContact O-N 3.29Å
434	E	80.8	Confident	94.8	Very high	105 Å²	105	46.5 Å²	46.5	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	6.3	-177.4	-56.5	166.3	-161.1	0	0	113.7	H173 N174 G432	H173-E434 IonicContact CD2-OE1 3.76Å; N174-E434 HydrophobicContact CB-CB 4.5Å; N174-E434 HydrophobicContact CB-CG 4.32Å; N174-E434 PolarHBondContact N-OE1 3.29Å; N174-E434 WeakPolarHBondContact ND2-CB 3.35Å; N174-E434 PolarHBondContact ND2-N 3.3Å; G432-E434 VanDerWaalsContact C-N 3.27Å; G432-E434 PolarHBondContact O-N 2.85Å; G432-E434 VanDerWaalsContact O-N 3.07Å
435	Y	89.1	Confident	94.8	Very high	62 Å²	62	42.2 Å²	42.2	24%	0.243	21%	0.214	C	C	.	.	S	Bend	trans	-123.3	146.2	178.9	-61.8	-64.2	0	0	0	111.1	N174 F365 W431 G432 A433 R437 Q438	N174-Y435 HydrophobicContact CB-CE2 4.47Å; N174-Y435 WeakPolarHBondContact ND2-CD2 3.4Å; N174-Y435 WeakPolarHBondContact ND2-CE2 3.37Å; F365-Y435 HydrophobicContact CD1-CE2 4.18Å; F365-Y435 HydrophobicContact CE1-CE1 4.45Å; F365-Y435 HydrophobicContact CE1-CE2 4.14Å; F365-Y435 AromaticContact CE1-CZ 3.74Å; F365-Y435 WeakPolarHBondContact CE1-OH 3.36Å; W431-Y435 VanDerWaalsContact O-CD2 3.31Å; W431-Y435 WeakPolarHBondContact O-CD2 3.36Å; G432-Y435 PolarHBondContact O-N 3.19Å; G432-Y435 VanDerWaalsContact O-O 3.14Å; A433-Y435 VanDerWaalsContact C-N 3.3Å; A433-Y435 PolarHBondContact O-N 3.29Å; Y435-R437 CarbonylContact O-C 3.59Å; Y435-R437 PolarHBondContact O-N 3.16Å; Y435-Q438 PolarHBondContact O-NE2 3.4Å
436	H	89.9	Confident	94.8	Very high	185 Å²	185	42.6 Å²	42.6	86%	0.856	22%	0.216	S	C	*	.	S	Bend	trans	-55.7	-22.3	173.5	-179.8	65.8	0	0	0	113.8
437	R	94.7	Very high	94.8	Very high	66 Å²	66	42.6 Å²	42.6	25%	0.249	22%	0.216	C	C	.	.			trans	-90	115.9	172.9	-65.5	170.2	-175.8	74.3	14.2	109	W431 G432 Y435 S442	W431-R437 CarbonylContact C-O 3.46Å; W431-R437 WeakPolarHBondContact CA-O 3.23Å; W431-R437 HydrophobicContact CB-CB 3.87Å; W431-R437 WeakPolarHBondContact CB-O 3.3Å; G432-R437 PolarHBondContact N-O 3.3Å; Y435-R437 CarbonylContact O-C 3.59Å; Y435-R437 PolarHBondContact O-N 3.16Å; R437-S442 WeakPolarHBondContact CD-O 3.41Å; R437-S442 PolarHBondContact NE-O 3.21Å
438	Q	93.2	Very high	94.8	Very high	84 Å²	84	43.5 Å²	43.5	39%	0.393	22%	0.22	S	C	.	.			trans	-84	-38.1	175.3	-58.6	-63.9	-88.9	0	0	110.8	M171 G432 Y435	M171-Q438 WeakPolarHBondContact CE-O 3.36Å; M171-Q438 HydrophobicContact SD-CB 3.64Å; M171-Q438 VanDerWaalsContact SD-CD 3.54Å; M171-Q438 HydrophobicContact SD-CG 4.13Å; M171-Q438 PolarHBondContact SD-OE1 2.89Å; G432-Q438 PolarHBondContact O-NE2 3.39Å; Y435-Q438 PolarHBondContact O-NE2 3.4Å
439	D	94.9	Very high	94.8	Very high	101 Å²	101	42.2 Å²	42.2	54%	0.54	21%	0.212	S	C	.	.	S	Bend	trans	-101.6	148.7	178.9	-68	-74.1	0	0	0	114.7	T441 S442	D439-T441 WeakPolarHBondContact CB-OG1 3.43Å; D439-T441 PolarHBondContact O-N 2.88Å; D439-S442 WeakPolarHBondContact O-CB 3.21Å; D439-S442 PolarHBondContact O-N 2.77Å
440	V	97.3	Very high	94.9	Very high	8 Å²	8	41 Å²	41	5%	0.048	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.5	-32.4	174	75.5	0	0	0	0	112	W431 S442 T443 W446	W431-V440 HydrophobicContact CD2-CB 4.12Å; W431-V440 HydrophobicContact CD2-CG2 4.04Å; W431-V440 HydrophobicContact CE3-CG2 4.23Å; W431-V440 HydrophobicContact CG-CB 4.36Å; W431-V440 HydrophobicContact CH2-CG2 4.03Å; W431-V440 HydrophobicContact CZ2-CB 4.11Å; W431-V440 HydrophobicContact CZ2-CG2 3.81Å; W431-V440 HydrophobicContact CZ3-CG2 4.24Å; V440-S442 PolarHBondContact O-N 2.73Å; V440-T443 VanDerWaalsContact O-CB 3.29Å; V440-T443 WeakPolarHBondContact O-CB 3.23Å; V440-T443 WeakPolarHBondContact O-CG2 3.34Å; V440-T443 PolarHBondContact O-N 2.92Å; V440-T443 PolarHBondContact O-OG1 2.85Å; V440-W446 HydrophobicContact CG1-CD2 4.25Å; V440-W446 HydrophobicContact CG1-CE3 4.18Å; V440-W446 HydrophobicContact CG1-CH2 3.98Å; V440-W446 HydrophobicContact CG1-CZ2 4.01Å; V440-W446 HydrophobicContact CG1-CZ3 4.04Å; V440-W446 HydrophobicContact CG2-CB 4.11Å; V440-W446 HydrophobicContact CG2-CD2 3.61Å; V440-W446 HydrophobicContact CG2-CE3 3.69Å; V440-W446 HydrophobicContact CG2-CG 3.81Å; V440-W446 HydrophobicContact CG2-CZ3 4.35Å; V440-W446 PolarHBondContact O-NE1 2.77Å
441	T	97.8	Very high	95	Very high	60 Å²	60	41 Å²	41	37%	0.368	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-68.6	-12	176.6	53.1	0	0	0	0	113.1	L290 N291 D439 T443 W446	L290-T441 CarbonylContact C-O 3.59Å; L290-T441 WeakPolarHBondContact CA-O 3.27Å; L290-T441 WeakPolarHBondContact CB-O 3.41Å; N291-T441 HydrophobicContact CB-CG2 4.34Å; D439-T441 WeakPolarHBondContact CB-OG1 3.43Å; D439-T441 PolarHBondContact O-N 2.88Å; T441-T443 VanDerWaalsContact C-N 3.35Å; T441-W446 HydrophobicContact CG2-CZ2 4.13Å
442	S	97.8	Very high	95	Very high	55 Å²	55	42.9 Å²	42.9	39%	0.385	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-86.9	-4.7	168.7	-61.1	0	0	0	0	113	R437 D439 V440	R437-S442 WeakPolarHBondContact CD-O 3.41Å; R437-S442 PolarHBondContact NE-O 3.21Å; D439-S442 WeakPolarHBondContact O-CB 3.21Å; D439-S442 PolarHBondContact O-N 2.77Å; V440-S442 PolarHBondContact O-N 2.73Å
443	T	98.3	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-85	140.3	176.3	72.9	0	0	0	0	110.9	L290 S426 W431 V440 T441 C445	L290-T443 WeakPolarHBondContact CA-O 3.45Å; L290-T443 PolarHBondContact N-O 2.89Å; S426-T443 VanDerWaalsContact OG-CB 3.27Å; S426-T443 WeakPolarHBondContact OG-CB 3.22Å; S426-T443 PolarHBondContact OG-OG1 2.74Å; W431-T443 HydrophobicContact CB-CG2 3.82Å; W431-T443 HydrophobicContact CD2-CG2 4.3Å; W431-T443 HydrophobicContact CE3-CG2 4.02Å; W431-T443 HydrophobicContact CG-CG2 4.26Å; V440-T443 VanDerWaalsContact O-CB 3.29Å; V440-T443 WeakPolarHBondContact O-CB 3.23Å; V440-T443 WeakPolarHBondContact O-CG2 3.34Å; V440-T443 PolarHBondContact O-N 2.92Å; V440-T443 PolarHBondContact O-OG1 2.85Å; T441-T443 VanDerWaalsContact C-N 3.35Å; T443-C445 VanDerWaalsContact C-N 3.33Å; T443-C445 PolarHBondContact O-N 2.88Å
444	P	98.4	Very high	95.8	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-71.4	-26.4	-171.5	-18.2	32.7	0	0	0	113.9	E289 T333 I334 T337 K429	E289-P444 WeakPolarHBondContact CA-O 3.47Å; T333-P444 HydrophobicContact CG2-CB 4.41Å; T333-P444 HydrophobicContact CG2-CG 3.86Å; I334-P444 HydrophobicContact CB-CB 4.36Å; I334-P444 HydrophobicContact CG1-CB 3.85Å; T337-P444 HydrophobicContact CG2-CB 4.09Å; T337-P444 HydrophobicContact CG2-CG 4.39Å; K429-P444 HydrophobicContact CG-CG 4.11Å
445	C	98.8	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-148.3	115.6	-177	-62.2	0	0	0	0	109.6	Y287 T337 R338 I341 S426 F427 T443	Y287-C445 HydrophobicContact CE2-CB 4.1Å; Y287-C445 PolarHBondContact OH-SG 2.9Å; Y287-C445 VanDerWaalsContact OH-SG 3.32Å; T337-C445 HydrophobicContact CG2-CB 3.9Å; R338-C445 VanDerWaalsContact CG-SG 3.54Å; I341-C445 HydrophobicContact CD1-CB 4.19Å; S426-C445 PolarHBondContact OG-O 2.59Å; F427-C445 HydrophobicContact CD2-CB 4.41Å; F427-C445 PolarHBondContact N-O 3.03Å; T443-C445 VanDerWaalsContact C-N 3.33Å; T443-C445 PolarHBondContact O-N 2.88Å
446	W	98.8	Very high	96.8	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.3	177.1	64.5	-78.6	0	0	0	111.9	Y287 Y288 L290 R424 M425 V440 T441 E448	Y287-W446 WeakPolarHBondContact CD2-O 3.44Å; Y288-W446 HydrophobicContact CD1-CH2 4.22Å; Y288-W446 AromaticContact CD1-CZ2 3.81Å; Y288-W446 HydrophobicContact CD1-CZ2 3.81Å; Y288-W446 HydrophobicContact CD2-CD2 4.4Å; Y288-W446 HydrophobicContact CD2-CE3 4.31Å; Y288-W446 AromaticContact CD2-CH2 3.87Å; Y288-W446 HydrophobicContact CD2-CH2 3.87Å; Y288-W446 AromaticContact CD2-CZ2 3.98Å; Y288-W446 HydrophobicContact CD2-CZ2 3.98Å; Y288-W446 HydrophobicContact CD2-CZ3 4.06Å; Y288-W446 HydrophobicContact CE1-CZ2 4.46Å; Y288-W446 HydrophobicContact CE2-CH2 4.19Å; Y288-W446 HydrophobicContact CE2-CZ3 4.44Å; Y288-W446 HydrophobicContact CG-CD2 4.31Å; Y288-W446 AromaticContact CG-CE2 3.77Å; Y288-W446 AromaticContact CG-CH2 3.92Å; Y288-W446 HydrophobicContact CG-CH2 3.92Å; Y288-W446 AromaticContact CG-CZ2 3.55Å; Y288-W446 HydrophobicContact CG-CZ2 3.55Å; Y288-W446 HydrophobicContact CG-CZ3 4.46Å; Y288-W446 PolarHBondContact N-O 3.31Å; Y288-W446 PolarHBondContact O-N 3.21Å; L290-W446 PolarHBondContact O-NE1 3.49Å; R424-W446 HydrophobicContact CG-CZ3 4.13Å; M425-W446 CarbonylContact O-C 3.56Å; M425-W446 WeakPolarHBondContact O-CA 3.47Å; M425-W446 VanDerWaalsContact O-CB 3.25Å; M425-W446 WeakPolarHBondContact O-CB 3.5Å; V440-W446 HydrophobicContact CG1-CD2 4.25Å; V440-W446 HydrophobicContact CG1-CE3 4.18Å; V440-W446 HydrophobicContact CG1-CH2 3.98Å; V440-W446 HydrophobicContact CG1-CZ2 4.01Å; V440-W446 HydrophobicContact CG1-CZ3 4.04Å; V440-W446 HydrophobicContact CG2-CB 4.11Å; V440-W446 HydrophobicContact CG2-CD2 3.61Å; V440-W446 HydrophobicContact CG2-CE3 3.69Å; V440-W446 HydrophobicContact CG2-CG 3.81Å; V440-W446 HydrophobicContact CG2-CZ3 4.35Å; V440-W446 PolarHBondContact O-NE1 2.77Å; T441-W446 HydrophobicContact CG2-CZ2 4.13Å; W446-E448 HydrophobicContact CZ3-CB 3.91Å; W446-E448 HydrophobicContact CZ3-CG 4.47Å
447	I	98.9	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.8	175.8	54.2	172.8	0	0	0	111	V285 A286 Y287 I307 V345 M425 F427 I449	V285-I447 HydrophobicContact CG1-CB 3.8Å; V285-I447 HydrophobicContact CG1-CD1 4Å; V285-I447 HydrophobicContact CG1-CG1 4.43Å; V285-I447 HydrophobicContact CG1-CG2 3.92Å; A286-I447 CarbonylContact O-C 3.17Å; A286-I447 WeakPolarHBondContact O-CA 3.11Å; Y287-I447 HydrophobicContact CD2-CG2 3.95Å; I307-I447 HydrophobicContact CD1-CD1 3.67Å; V345-I447 HydrophobicContact CG1-CD1 4.5Å; M425-I447 HydrophobicContact CB-CD1 4.34Å; M425-I447 HydrophobicContact CB-CG1 3.87Å; M425-I447 HydrophobicContact CG-CG1 4.46Å; M425-I447 PolarHBondContact N-O 2.77Å; M425-I447 PolarHBondContact O-N 3.35Å; M425-I447 HydrophobicContact SD-CD1 4.09Å; F427-I447 HydrophobicContact CE2-CD1 4.5Å; F427-I447 HydrophobicContact CE2-CG1 4.28Å; F427-I447 HydrophobicContact CE2-CG2 4.04Å; F427-I447 HydrophobicContact CZ-CD1 4.21Å; F427-I447 HydrophobicContact CZ-CG1 4.47Å; I447-I449 HydrophobicContact CD1-CD1 4.08Å; I447-I449 HydrophobicContact CD1-CG1 4.14Å; I447-I449 HydrophobicContact CG1-CG1 4.49Å
448	E	98.8	Very high	97	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.103	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.1	168.6	-162.9	165.7	-115	0	0	109.3	V285 A286 Y288 T422 R424 W446 H450	V285-E448 WeakPolarHBondContact CA-O 3.33Å; A286-E448 PolarHBondContact N-O 2.9Å; A286-E448 PolarHBondContact O-N 3.36Å; Y288-E448 HydrophobicContact CE2-CB 4.03Å; T422-E448 HydrophobicContact CG2-CG 3.41Å; T422-E448 VanDerWaalsContact CG2-CG 3.41Å; R424-E448 HydrophobicContact CG-CG 4.19Å; R424-E448 IonicContact CZ-OE1 3Å; R424-E448 IonicContact NE-OE1 3.19Å; R424-E448 PolarHBondContact NE-OE1 3.03Å; R424-E448 IonicContact NH2-OE1 3.14Å; R424-E448 PolarHBondContact NH2-OE1 2.98Å; W446-E448 HydrophobicContact CZ3-CB 3.91Å; W446-E448 HydrophobicContact CZ3-CG 4.47Å; E448-H450 IonicContact OE2-CE1 2.9Å; E448-H450 PolarHBondContact OE2-CE1 3.07Å; E448-H450 IonicContact OE2-NE2 3.98Å
449	I	98.8	Very high	97	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	-175	-55.2	158.8	0	0	0	107.7	C283 S284 V285 L347 T422 I423 I447 L451	C283-I449 HydrophobicContact CB-CG2 4.07Å; S284-I449 WeakPolarHBondContact O-CA 3.41Å; V285-I449 HydrophobicContact CG1-CG1 4.28Å; V285-I449 HydrophobicContact CG2-CG1 4.28Å; V285-I449 HydrophobicContact CG2-CG2 4.47Å; L347-I449 HydrophobicContact CD1-CD1 3.66Å; L347-I449 HydrophobicContact CD1-CG1 4.26Å; T422-I449 CarbonylContact C-O 3.55Å; T422-I449 WeakPolarHBondContact CA-O 3.36Å; I423-I449 HydrophobicContact CB-CB 4.32Å; I423-I449 HydrophobicContact CG2-CD1 4.36Å; I423-I449 PolarHBondContact N-O 3.27Å; I423-I449 PolarHBondContact O-N 3.36Å; I447-I449 HydrophobicContact CD1-CD1 4.08Å; I447-I449 HydrophobicContact CD1-CG1 4.14Å; I447-I449 HydrophobicContact CG1-CG1 4.49Å; I449-L451 HydrophobicContact CG2-CD2 4.13Å
450	H	98.4	Very high	96.8	Very high	54 Å²	54	25.5 Å²	25.5	25%	0.25	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121	176.5	-69.4	88.4	0	0	0	109.8	C283 S284 T422 E448 H452 L455	C283-H450 CarbonylContact C-O 3.6Å; C283-H450 WeakPolarHBondContact CA-O 3.39Å; C283-H450 WeakPolarHBondContact CB-O 3.35Å; S284-H450 PolarHBondContact N-O 3.07Å; S284-H450 PolarHBondContact O-N 2.94Å; T422-H450 PolarHBondContact OG1-CD2 2.83Å; T422-H450 PolarHBondContact OG1-NE2 2.94Å; E448-H450 IonicContact OE2-CE1 2.9Å; E448-H450 PolarHBondContact OE2-CE1 3.07Å; E448-H450 IonicContact OE2-NE2 3.98Å; H450-H452 PolarHBondContact O-CD2 3.39Å; H450-H452 VanDerWaalsContact O-CD2 3.29Å; H450-L455 HydrophobicContact CB-CD1 4.1Å
451	L	98.2	Very high	96.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.2	-178.8	-58.6	-179.7	0	0	0	110.7	W282 C283 V354 F394 C421 I423 I449 P454 L455	W282-L451 HydrophobicContact CE3-CD2 4.13Å; W282-L451 HydrophobicContact CZ3-CD2 3.86Å; C283-L451 HydrophobicContact CB-CD2 3.9Å; V354-L451 HydrophobicContact CG2-CD1 4.35Å; V354-L451 HydrophobicContact CG2-CD2 4.11Å; F394-L451 HydrophobicContact CB-CD1 3.76Å; F394-L451 HydrophobicContact CD1-CD1 3.7Å; F394-L451 HydrophobicContact CD2-CD1 3.35Å; F394-L451 HydrophobicContact CE1-CD1 4.08Å; F394-L451 HydrophobicContact CE2-CD1 3.76Å; F394-L451 HydrophobicContact CG-CD1 3.32Å; F394-L451 HydrophobicContact CZ-CD1 4.1Å; C421-L451 PolarHBondContact O-N 2.69Å; I423-L451 HydrophobicContact CD1-CD1 4.07Å; I449-L451 HydrophobicContact CG2-CD2 4.13Å; L451-P454 HydrophobicContact CB-CB 4.46Å; L451-P454 HydrophobicContact CB-CG 3.95Å; L451-L455 WeakPolarHBondContact O-CB 3.35Å; L451-L455 VanDerWaalsContact O-CG 3.29Å; L451-L455 WeakPolarHBondContact O-CG 3.44Å; L451-L455 PolarHBondContact O-N 3.39Å; L451-L455 VanDerWaalsContact O-N 3.16Å
452	H	97.4	Very high	96.1	Very high	44 Å²	44	23.3 Å²	23.3	20%	0.204	12%	0.12	C	C	.	.	H	α-helix	trans	-72.8	-37.3	-167.4	-66.8	179.9	0	0	0	113.1	P279 H281 W282 S284 Q299 H450 L455 Q456	P279-H452 HydrophobicContact CB-CB 4.2Å; P279-H452 HydrophobicContact CG-CB 3.86Å; H281-H452 VanDerWaalsContact O-CB 3.3Å; H281-H452 WeakPolarHBondContact O-CB 3.5Å; H281-H452 PolarHBondContact O-ND1 2.9Å; H281-H452 VanDerWaalsContact O-ND1 3.15Å; W282-H452 PolarHBondContact O-N 3.19Å; S284-H452 VanDerWaalsContact CB-NE2 3.3Å; S284-H452 WeakPolarHBondContact CB-NE2 3.21Å; S284-H452 PolarHBondContact N-NE2 3.22Å; S284-H452 VanDerWaalsContact N-NE2 3.19Å; S284-H452 PolarHBondContact OG-NE2 2.73Å; Q299-H452 PolarHBondContact OE1-CE1 3.43Å; H450-H452 PolarHBondContact O-CD2 3.39Å; H450-H452 VanDerWaalsContact O-CD2 3.29Å; H452-L455 PolarHBondContact O-N 2.91Å; H452-Q456 VanDerWaalsContact O-CB 3.29Å; H452-Q456 WeakPolarHBondContact O-CB 3.48Å; H452-Q456 PolarHBondContact O-N 3.32Å
453	G	95.2	Very high	95.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-53.7	179.2	0	0	0	0	0	112.1	L455 Q456 W457	G453-L455 VanDerWaalsContact C-N 3.33Å; G453-L455 PolarHBondContact O-N 3.09Å; G453-Q456 PolarHBondContact O-N 3.05Å; G453-W457 WeakPolarHBondContact O-CB 3.33Å; G453-W457 PolarHBondContact O-N 2.98Å
454	P	96	Very high	95.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-54.7	-42.1	171.6	-30.1	38	0	0	0	114	F394 F399 C421 L451 L458	F394-P454 HydrophobicContact CD1-CG 4.47Å; F394-P454 HydrophobicContact CE1-CB 4.3Å; F394-P454 HydrophobicContact CE1-CG 3.52Å; F394-P454 HydrophobicContact CZ-CB 3.94Å; F394-P454 HydrophobicContact CZ-CG 3.64Å; F399-P454 HydrophobicContact CD1-CB 3.96Å; F399-P454 HydrophobicContact CE1-CB 3.74Å; F399-P454 HydrophobicContact CE2-CB 4.39Å; F399-P454 HydrophobicContact CG-CB 4.38Å; F399-P454 HydrophobicContact CZ-CB 3.97Å; C421-P454 HydrophobicContact CB-CB 4.24Å; C421-P454 VanDerWaalsContact SG-CB 3.54Å; L451-P454 HydrophobicContact CB-CB 4.46Å; L451-P454 HydrophobicContact CB-CG 3.95Å; P454-L458 VanDerWaalsContact O-CB 3.28Å; P454-L458 WeakPolarHBondContact O-CB 3.43Å; P454-L458 PolarHBondContact O-N 2.9Å
455	L	96.5	Very high	94.3	Very high	46 Å²	46	29.8 Å²	29.8	24%	0.241	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-47.6	176	-75.4	169	0	0	0	112.7	T418 C421 H450 L451 H452 G453 W457 L458 D459	T418-L455 HydrophobicContact CG2-CD2 4.07Å; C421-L455 HydrophobicContact CB-CD1 4.47Å; C421-L455 HydrophobicContact CB-CD2 3.61Å; C421-L455 HydrophobicContact CB-CG 3.62Å; H450-L455 HydrophobicContact CB-CD1 4.1Å; L451-L455 WeakPolarHBondContact O-CB 3.35Å; L451-L455 VanDerWaalsContact O-CG 3.29Å; L451-L455 WeakPolarHBondContact O-CG 3.44Å; L451-L455 PolarHBondContact O-N 3.39Å; L451-L455 VanDerWaalsContact O-N 3.16Å; H452-L455 PolarHBondContact O-N 2.91Å; G453-L455 VanDerWaalsContact C-N 3.33Å; G453-L455 PolarHBondContact O-N 3.09Å; L455-W457 VanDerWaalsContact C-N 3.31Å; L455-W457 PolarHBondContact O-N 3.02Å; L455-L458 WeakPolarHBondContact O-CB 3.42Å; L455-L458 PolarHBondContact O-N 3.02Å; L455-D459 WeakPolarHBondContact O-CB 3.49Å; L455-D459 PolarHBondContact O-N 3.11Å
456	Q	95	Very high	93.2	Very high	68 Å²	68	32 Å²	32	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-37.5	-179.6	-172.5	-175.2	11.2	0	0	111.6	H452 G453 K460	H452-Q456 VanDerWaalsContact O-CB 3.29Å; H452-Q456 WeakPolarHBondContact O-CB 3.48Å; H452-Q456 PolarHBondContact O-N 3.32Å; G453-Q456 PolarHBondContact O-N 3.05Å; Q456-K460 WeakPolarHBondContact O-CG 3.3Å; Q456-K460 PolarHBondContact O-N 3.05Å; Q456-K460 VanDerWaalsContact O-N 3.13Å
457	W	93.9	Very high	92	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-41.6	176.1	-162.9	9.2	0	0	0	111.7	L139 P140 V142 V274 Y276 F399 A400 L403 G453 L455 K460 V461	L139-W457 HydrophobicContact CB-CH2 3.82Å; L139-W457 HydrophobicContact CB-CZ3 4.2Å; L139-W457 HydrophobicContact CD1-CH2 4.36Å; L139-W457 HydrophobicContact CD1-CZ3 3.86Å; P140-W457 WeakPolarHBondContact O-CH2 3.27Å; P140-W457 VanDerWaalsContact O-CZ2 3.27Å; P140-W457 WeakPolarHBondContact O-CZ2 3.38Å; V142-W457 HydrophobicContact CG2-CH2 4.43Å; V142-W457 HydrophobicContact CG2-CZ2 3.68Å; V274-W457 PolarHBondContact O-NE1 2.95Å; Y276-W457 HydrophobicContact CD2-CB 4.1Å; Y276-W457 AromaticContact CD2-CD2 3.79Å; Y276-W457 HydrophobicContact CD2-CD2 3.79Å; Y276-W457 AromaticContact CD2-CE3 3.42Å; Y276-W457 HydrophobicContact CD2-CE3 3.42Å; Y276-W457 VanDerWaalsContact CD2-CE3 3.42Å; Y276-W457 HydrophobicContact CD2-CG 4.14Å; Y276-W457 AromaticContact CD2-CZ3 3.98Å; Y276-W457 HydrophobicContact CD2-CZ3 3.98Å; Y276-W457 HydrophobicContact CE2-CE3 4.27Å; Y276-W457 HydrophobicContact CG-CD2 4.37Å; Y276-W457 HydrophobicContact CG-CE3 4.1Å; Y276-W457 HydrophobicContact CG-CZ3 4.31Å; F399-W457 HydrophobicContact CD1-CE3 4.45Å; A400-W457 HydrophobicContact CB-CH2 3.5Å; A400-W457 HydrophobicContact CB-CZ3 3.52Å; L403-W457 HydrophobicContact CD2-CD2 4.02Å; L403-W457 HydrophobicContact CD2-CE3 4.39Å; L403-W457 HydrophobicContact CD2-CG 4.04Å; G453-W457 WeakPolarHBondContact O-CB 3.33Å; G453-W457 PolarHBondContact O-N 2.98Å; L455-W457 VanDerWaalsContact C-N 3.31Å; L455-W457 PolarHBondContact O-N 3.02Å; W457-K460 PolarHBondContact O-N 3.15Å; W457-V461 WeakPolarHBondContact O-CG2 3.21Å; W457-V461 PolarHBondContact O-N 3.04Å; W457-V461 VanDerWaalsContact O-N 3.14Å
458	L	94.4	Very high	90.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175.6	-174.6	66.2	0	0	0	112.1	F399 L403 V414 L417 T418 P454 L455 V461 L462	F399-L458 HydrophobicContact CZ-CB 4.38Å; L403-L458 HydrophobicContact CD1-CD1 3.56Å; V414-L458 HydrophobicContact CG1-CD1 3.49Å; V414-L458 VanDerWaalsContact CG1-CD1 3.49Å; V414-L458 WeakPolarHBondContact O-CD1 3.49Å; L417-L458 HydrophobicContact CB-CD1 4Å; L417-L458 HydrophobicContact CB-CD2 4.24Å; L417-L458 HydrophobicContact CD1-CD1 4.35Å; T418-L458 VanDerWaalsContact N-CD2 3.31Å; T418-L458 WeakPolarHBondContact OG1-CD2 3.35Å; P454-L458 VanDerWaalsContact O-CB 3.28Å; P454-L458 WeakPolarHBondContact O-CB 3.43Å; P454-L458 PolarHBondContact O-N 2.9Å; L455-L458 WeakPolarHBondContact O-CB 3.42Å; L455-L458 PolarHBondContact O-N 3.02Å; L458-V461 PolarHBondContact O-N 2.9Å; L458-V461 VanDerWaalsContact O-N 3.16Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CD2-CD1 4.47Å; L458-L462 HydrophobicContact CG-CD1 3.94Å; L458-L462 HydrophobicContact CG-CG 4.43Å; L458-L462 WeakPolarHBondContact O-CG 3.13Å; L458-L462 PolarHBondContact O-N 3.25Å
459	D	92.6	Very high	89.3	Confident	99 Å²	99	45 Å²	45	53%	0.529	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-46	177.3	179.2	72.8	0	0	0	112.2	L455 V461 L462 T463	L455-D459 WeakPolarHBondContact O-CB 3.49Å; L455-D459 PolarHBondContact O-N 3.11Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.43Å; D459-L462 PolarHBondContact O-N 2.78Å; D459-T463 VanDerWaalsContact O-CB 3.3Å; D459-T463 WeakPolarHBondContact O-CB 3.4Å; D459-T463 PolarHBondContact O-N 2.79Å; D459-T463 PolarHBondContact O-OG1 2.88Å
460	K	91.4	Very high	88.1	Confident	49 Å²	49	50.2 Å²	50.2	21%	0.213	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-31.5	174.3	-74	178.6	178.9	178.2	0	113.6	V274 E277 Q456 W457 Q464	V274-K460 HydrophobicContact CG1-CB 3.58Å; V274-K460 HydrophobicContact CG1-CD 4.44Å; E277-K460 IonicContact OE1-NZ 3.19Å; E277-K460 PolarHBondContact OE1-NZ 2.85Å; E277-K460 IonicContact OE2-NZ 3.88Å; E277-K460 PolarHBondContact OE2-NZ 3.34Å; Q456-K460 WeakPolarHBondContact O-CG 3.3Å; Q456-K460 PolarHBondContact O-N 3.05Å; Q456-K460 VanDerWaalsContact O-N 3.13Å; W457-K460 PolarHBondContact O-N 3.15Å; K460-Q464 WeakPolarHBondContact O-CG 3.29Å; K460-Q464 PolarHBondContact O-NE2 2.91Å
461	V	91.1	Very high	86.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-75.9	-51.4	175.4	168.7	0	0	0	0	110.7	V142 V144 V274 L403 V407 V414 W457 L458 D459 T463 Q464 M465	V142-V461 HydrophobicContact CB-CG2 4.07Å; V142-V461 HydrophobicContact CG1-CG1 4.44Å; V142-V461 HydrophobicContact CG1-CG2 3.81Å; V144-V461 HydrophobicContact CG2-CG1 3.99Å; V144-V461 HydrophobicContact CG2-CG2 4.43Å; V274-V461 HydrophobicContact CB-CG2 4Å; V274-V461 HydrophobicContact CG1-CG2 3.94Å; V274-V461 HydrophobicContact CG2-CG2 4.17Å; L403-V461 HydrophobicContact CD1-CB 4.36Å; L403-V461 HydrophobicContact CD1-CG1 4.11Å; L403-V461 HydrophobicContact CD1-CG2 4.41Å; L403-V461 HydrophobicContact CD2-CG2 4.14Å; L403-V461 HydrophobicContact CG-CG2 4.4Å; V407-V461 HydrophobicContact CG2-CG1 3.51Å; V414-V461 HydrophobicContact CG1-CG1 4.13Å; W457-V461 WeakPolarHBondContact O-CG2 3.21Å; W457-V461 PolarHBondContact O-N 3.04Å; W457-V461 VanDerWaalsContact O-N 3.14Å; L458-V461 PolarHBondContact O-N 2.9Å; L458-V461 VanDerWaalsContact O-N 3.16Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.43Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.25Å; V461-Q464 PolarHBondContact O-N 2.75Å; V461-M465 HydrophobicContact CG1-CG 4.48Å; V461-M465 HydrophobicContact CG1-SD 3.99Å; V461-M465 PolarHBondContact O-N 3.47Å
462	L	90.3	Very high	85.9	Confident	22 Å²	22	61 Å²	61	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-56.8	-42.4	179.1	-74.7	169.8	0	0	0	112	F411 V414 Y415 L458 D459 Q464 M465	F411-L462 HydrophobicContact CD2-CD2 3.97Å; F411-L462 HydrophobicContact CE1-CD2 4.39Å; F411-L462 HydrophobicContact CE2-CB 4.39Å; F411-L462 HydrophobicContact CE2-CD2 3.72Å; F411-L462 HydrophobicContact CG-CD2 4.41Å; F411-L462 HydrophobicContact CZ-CD2 3.95Å; V414-L462 HydrophobicContact CB-CD2 3.92Å; V414-L462 HydrophobicContact CG1-CD2 3.56Å; V414-L462 HydrophobicContact CG1-CG 3.89Å; Y415-L462 HydrophobicContact CD2-CD1 4.19Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CD2-CD1 4.47Å; L458-L462 HydrophobicContact CG-CD1 3.94Å; L458-L462 HydrophobicContact CG-CG 4.43Å; L458-L462 WeakPolarHBondContact O-CG 3.13Å; L458-L462 PolarHBondContact O-N 3.25Å; D459-L462 PolarHBondContact O-N 2.78Å; L462-Q464 PolarHBondContact O-N 3.35Å; L462-Q464 VanDerWaalsContact O-N 3.11Å; L462-M465 PolarHBondContact O-N 3.34Å
463	T	88	Confident	85.1	Confident	105 Å²	105	62 Å²	62	64%	0.644	36%	0.355	S	S	*	.	H	α-helix	trans	-57.4	-26	176.1	-61.3	0	0	0	0	112.9	D459 V461	D459-T463 VanDerWaalsContact O-CB 3.3Å; D459-T463 WeakPolarHBondContact O-CB 3.4Å; D459-T463 PolarHBondContact O-N 2.79Å; D459-T463 PolarHBondContact O-OG1 2.88Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.25Å
464	Q	85.8	Confident	84.4	Confident	66 Å²	66	68 Å²	68	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-93.9	-13.1	178.6	-65.8	-175.1	53.1	0	0	114	V144 R272 V274 K460 V461 L462	V144-Q464 HydrophobicContact CB-CB 4.41Å; V144-Q464 HydrophobicContact CG1-CB 4.04Å; R272-Q464 VanDerWaalsContact CB-OE1 3.24Å; V274-Q464 VanDerWaalsContact CG2-NE2 3.31Å; K460-Q464 WeakPolarHBondContact O-CG 3.29Å; K460-Q464 PolarHBondContact O-NE2 2.91Å; V461-Q464 PolarHBondContact O-N 2.75Å; L462-Q464 PolarHBondContact O-N 3.35Å; L462-Q464 VanDerWaalsContact O-N 3.11Å
465	M	82.1	Confident	83.5	Confident	25 Å²	25	74 Å²	74	12%	0.123	43%	0.433	C	S	.	.	H	α-helix	trans	-87.6	-11.6	-179.5	-68.4	-177.8	76.2	0	0	114.2	V144 V407 F411 V414 V461 L462	V144-M465 HydrophobicContact CG1-CG 3.75Å; V407-M465 HydrophobicContact CG1-CE 4.37Å; V407-M465 HydrophobicContact CG1-SD 4.47Å; V407-M465 HydrophobicContact CG2-SD 4.18Å; V407-M465 WeakPolarHBondContact O-CE 3.1Å; F411-M465 HydrophobicContact CD2-CB 4.32Å; V414-M465 HydrophobicContact CB-SD 4.1Å; V414-M465 HydrophobicContact CG1-SD 4.19Å; V414-M465 HydrophobicContact CG2-CE 3.94Å; V414-M465 HydrophobicContact CG2-SD 3.71Å; V461-M465 HydrophobicContact CG1-CG 4.48Å; V461-M465 HydrophobicContact CG1-SD 3.99Å; V461-M465 PolarHBondContact O-N 3.47Å; L462-M465 PolarHBondContact O-N 3.34Å
466	G	76.4	Confident	81.8	Confident	46 Å²	46	79 Å²	79	47%	0.474	47%	0.472	S	S	.	.			trans	83.5	-161.6	-177.5	0	0	0	0	0	113.4	F411	F411-G466 WeakPolarHBondContact CD2-O 3.29Å; F411-G466 WeakPolarHBondContact CE2-O 3.37Å
467	S	73.1	Confident	81.2	Confident	101 Å²	101	79.6 Å²	79.6	71%	0.706	48%	0.48	S	S	*	.	S	Bend	trans	-89.4	157.8	-177.9	55.2	0	0	0	0	113
468	P	73.8	Confident	80.5	Confident	57 Å²	57	83.5 Å²	83.5	37%	0.37	51%	0.505	S	S	.	.			trans	-52.4	146.4	167.2	-22.9	31.4	0	0	0	112.5	F411 N470	F411-P468 HydrophobicContact CD1-CB 4.45Å; F411-P468 HydrophobicContact CD1-CG 3.76Å; F411-P468 HydrophobicContact CE1-CG 3.69Å; F411-P468 HydrophobicContact CG-CG 4.46Å; F411-P468 HydrophobicContact CZ-CG 4.32Å; P468-N470 VanDerWaalsContact C-N 3.34Å
469	H	67.3	Low	79.7	Confident	144 Å²	144	88.1 Å²	88.1	67%	0.667	53%	0.532	S	S	*	.	S	Bend	trans	-71	-27.4	177.4	-73	-69.2	0	0	0	113.7	P471	H469-P471 VanDerWaalsContact O-CD 3.3Å; H469-P471 WeakPolarHBondContact O-CD 3.3Å
470	N	72.6	Confident	79	Confident	112 Å²	112	87.4 Å²	87.4	60%	0.599	53%	0.532	S	S	*	.	S	Bend	trans	-85.7	112.2	179	-70.5	-41.3	0	0	0	110	P468 I472	P468-N470 VanDerWaalsContact C-N 3.34Å; N470-I472 PolarHBondContact O-N 2.98Å
471	P	73.3	Confident	78.2	Confident	125 Å²	125	89.8 Å²	89.8	81%	0.812	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-68	132	174.4	28.8	-33.8	0	0	0	110.1	H469	H469-P471 VanDerWaalsContact O-CD 3.3Å; H469-P471 WeakPolarHBondContact O-CD 3.3Å
472	I	78.3	Confident	77.3	Confident	160 Å²	160	95.8 Å²	95.8	82%	0.821	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-83.8	132	174.8	-62.3	171.6	0	0	0	108.4	N470	N470-I472 PolarHBondContact O-N 2.98Å
473	S	79.1	Confident	76.4	Confident	64 Å²	64	101.1 Å²	101.1	45%	0.448	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-71.4	139.2	174.1	176.2	0	0	0	0	110.6	V475 S476	S473-V475 PolarHBondContact O-N 3.4Å; S473-V475 PolarHBondContact OG-N 3.16Å; S473-V475 VanDerWaalsContact OG-N 3.16Å; S473-S476 PolarHBondContact O-OG 3.43Å
474	S	82.1	Confident	75.5	Confident	128 Å²	128	100.8 Å²	100.8	90%	0.895	62%	0.621	S	S	*	*	S	Bend	trans	-82.5	5.4	172.5	56	0	0	0	0	113.8
475	V	75.9	Confident	74.7	Confident	130 Å²	130	103.7 Å²	103.7	79%	0.788	65%	0.647	S	S	*	*			trans	-127.8	-8.8	-170	-165.4	0	0	0	0	112.8	S473	S473-V475 PolarHBondContact O-N 3.4Å; S473-V475 PolarHBondContact OG-N 3.16Å; S473-V475 VanDerWaalsContact OG-N 3.16Å
476	S	62.4	Low	74	Confident	152 Å²	152	110.8 Å²	110.8	100%	1.063	70%	0.695	S	S	*	*			trans	-86.6	0	-177.4	57.2	0	0	0	0	113.6	S473	S473-S476 PolarHBondContact O-OG 3.43Å

Retrieved 476 of 476 residues in 572.1 ms (Link to these results)

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