A0A3Q0KLU8_SCHMA Loading...

Glucosidase 2 subunit beta

AlphaFold DB , UniProt , Accession A0A3Q0KLU8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 450 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	53.7	Low	56.6	Low	232 Å²	232	132.9 Å²	132.9	100%	1.143	72%	0.721	S	S	*	*				0	71	0	-64.7	-62.7	-153	0	0	109.3
2	Q	60.2	Low	56.3	Low	179 Å²	179	134.9 Å²	134.9	84%	0.836	72%	0.718	S	S	*	*			trans	-147.9	0.1	-167.6	-111.2	152.8	-29	0	0	115.8
3	T	60.5	Low	55.8	Low	133 Å²	133	136.4 Å²	136.4	82%	0.816	73%	0.725	S	S	*	*	S	Bend	trans	-98.5	-8.2	-179.3	42.2	0	0	0	0	114
4	L	58.9	Low	55.7	Low	142 Å²	142	135.8 Å²	135.8	74%	0.743	72%	0.72	S	S	*	*	S	Bend	trans	-88.7	-17.1	-174.3	-148.8	72.9	0	0	0	113.9
5	L	56.5	Low	55.3	Low	147 Å²	147	136.3 Å²	136.3	77%	0.77	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-30.9	-170.4	-149.3	73.1	0	0	0	113.3	L7	L5-L7 VanDerWaalsContact C-N 3.28Å; L5-L7 PolarHBondContact O-N 3.5Å
6	C	58.9	Low	54.4	Low	98 Å²	98	131.1 Å²	131.1	66%	0.662	71%	0.712	S	S	*	*	H	α-helix	trans	-70.5	-21.3	-178.2	-58.9	0	0	0	0	113.8	C9 A10	C6-C9 PolarHBondContact O-N 3.2Å; C6-A10 PolarHBondContact O-N 3.32Å
7	L	55	Low	53.7	Low	124 Å²	124	131.2 Å²	131.2	65%	0.649	71%	0.712	S	S	*	*	H	α-helix	trans	-71.3	-28.7	-178.3	-103.7	157.4	0	0	0	113	L5 L11	L5-L7 VanDerWaalsContact C-N 3.28Å; L5-L7 PolarHBondContact O-N 3.5Å; L7-L11 PolarHBondContact O-N 2.77Å
8	F	55.1	Low	52.9	Low	146 Å²	146	132.9 Å²	132.9	64%	0.64	72%	0.718	S	S	*	*	H	α-helix	trans	-74.8	-35.7	173.4	-92.9	-88.5	0	0	0	112.7	A10 L11 F12	F8-A10 VanDerWaalsContact C-N 3.28Å; F8-A10 PolarHBondContact O-N 3.36Å; F8-L11 PolarHBondContact O-N 3.13Å; F8-F12 PolarHBondContact O-N 3.08Å
9	C	54.4	Low	52.2	Low	88 Å²	88	133.6 Å²	133.6	60%	0.595	72%	0.716	S	S	*	*	H	α-helix	trans	-66.7	-30.1	175.2	-60.6	0	0	0	0	112.6	C6	C6-C9 PolarHBondContact O-N 3.2Å
10	A	55.7	Low	51.8	Low	56 Å²	56	130.1 Å²	130.1	46%	0.463	71%	0.712	S	S	.	*	H	α-helix	trans	-72	-30.1	174	0	0	0	0	0	113	C6 F8 I14	C6-A10 PolarHBondContact O-N 3.32Å; F8-A10 VanDerWaalsContact C-N 3.28Å; F8-A10 PolarHBondContact O-N 3.36Å; A10-I14 WeakPolarHBondContact O-CG1 3.41Å
11	L	53.5	Low	52.1	Low	117 Å²	117	129.2 Å²	129.2	61%	0.613	71%	0.707	S	S	*	*	H	α-helix	trans	-77.6	-30.6	-177.5	-147.9	76.8	0	0	0	113	L7 F8 L13	L7-L11 PolarHBondContact O-N 2.77Å; F8-L11 PolarHBondContact O-N 3.13Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.43Å
12	F	53.7	Low	53.2	Low	157 Å²	157	125.5 Å²	125.5	69%	0.689	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-74.5	-11.4	176.6	-93.3	-83.8	0	0	0	114.4	F8	F8-F12 PolarHBondContact O-N 3.08Å
13	L	49.8	Very low	54.6	Low	154 Å²	154	118.4 Å²	118.4	81%	0.806	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-96.3	15.8	177.1	-65.6	174.7	0	0	0	113.2	L11	L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.43Å
14	I	54.2	Low	56.2	Low	128 Å²	128	112.9 Å²	112.9	66%	0.656	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-120.6	10.2	176.7	-21	-180	0	0	0	112.6	A10 G16	A10-I14 WeakPolarHBondContact O-CG1 3.41Å; I14-G16 PolarHBondContact O-N 3.02Å; I14-G16 VanDerWaalsContact O-N 3.14Å
15	L	49.7	Very low	57.9	Low	143 Å²	143	109.9 Å²	109.9	75%	0.749	60%	0.602	S	S	*	*			trans	-82.9	62.2	158.7	-69.7	175.2	0	0	0	108.9
16	G	40.7	Very low	59.7	Low	54 Å²	54	103 Å²	103	56%	0.557	57%	0.566	S	S	*	*			trans	-77	122.8	175.4	0	0	0	0	0	110.7	I14 I18	I14-G16 PolarHBondContact O-N 3.02Å; I14-G16 VanDerWaalsContact O-N 3.14Å; G16-I18 PolarHBondContact O-N 3.36Å
17	D	43.1	Very low	61.4	Low	133 Å²	133	98.4 Å²	98.4	71%	0.711	54%	0.536	S	S	*	.			trans	40.9	60.7	152.9	-59.3	-42.8	0	0	0	116.8	H19	D17-H19 PolarHBondContact O-N 2.97Å; D17-H19 IonicContact OD1-CE1 3.22Å; D17-H19 PolarHBondContact OD1-CE1 3.41Å; D17-H19 VanDerWaalsContact OD1-CE1 3.22Å; D17-H19 IonicContact OD1-ND1 3.39Å; D17-H19 PolarHBondContact OD1-ND1 2.59Å
18	I	38.6	Very low	63.3	Low	162 Å²	162	92.8 Å²	92.8	83%	0.831	51%	0.506	S	S	*	.			trans	-74.7	67	149.4	-49.2	-179	0	0	0	107.6	G16 G20	G16-I18 PolarHBondContact O-N 3.36Å; I18-G20 PolarHBondContact O-N 3Å
19	H	40.1	Very low	64.9	Low	145 Å²	145	92.7 Å²	92.7	67%	0.671	51%	0.511	S	S	*	.			trans	-70.1	86.2	155.7	-74.5	86.5	0	0	0	106	D17 D21	D17-H19 PolarHBondContact O-N 2.97Å; D17-H19 IonicContact OD1-CE1 3.22Å; D17-H19 PolarHBondContact OD1-CE1 3.41Å; D17-H19 VanDerWaalsContact OD1-CE1 3.22Å; D17-H19 IonicContact OD1-ND1 3.39Å; D17-H19 PolarHBondContact OD1-ND1 2.59Å; H19-D21 PolarHBondContact O-N 2.67Å; H19-D21 VanDerWaalsContact O-N 3.13Å
20	G	43.7	Very low	66.7	Low	63 Å²	63	93.1 Å²	93.1	65%	0.649	52%	0.515	S	S	*	.			trans	-66.9	104.3	156.8	0	0	0	0	0	106	I18 E22	I18-G20 PolarHBondContact O-N 3Å; G20-E22 PolarHBondContact O-N 3.33Å; G20-E22 VanDerWaalsContact O-N 3.13Å
21	D	57.5	Low	68.5	Low	113 Å²	113	95.6 Å²	95.6	60%	0.604	51%	0.513	S	S	*	.			trans	-43.7	119.4	-177.3	-75.9	-43.3	0	0	0	110.1	H19 L23 V37	H19-D21 PolarHBondContact O-N 2.67Å; H19-D21 VanDerWaalsContact O-N 3.13Å; D21-L23 PolarHBondContact O-N 3.35Å; D21-V37 HydrophobicContact CB-CB 4.48Å; D21-V37 HydrophobicContact CB-CG2 3.76Å
22	E	78.2	Confident	70.4	Confident	153 Å²	153	92.7 Å²	92.7	72%	0.715	50%	0.502	S	S	*	.			trans	-67.5	111.8	-177.2	-173.7	171	-176.5	0	0	108.8	G20 R82	G20-E22 PolarHBondContact O-N 3.33Å; G20-E22 VanDerWaalsContact O-N 3.13Å; E22-R82 IonicContact OE1-NH1 3.13Å; E22-R82 PolarHBondContact OE1-NH1 2.77Å; E22-R82 VanDerWaalsContact OE1-NH1 3.13Å
23	L	90	Very high	72.3	Confident	31 Å²	31	88.2 Å²	88.2	16%	0.162	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-56.1	136.5	179.8	-171	68.1	0	0	0	109.7	D21 V27 R82	D21-L23 PolarHBondContact O-N 3.35Å; L23-V27 HydrophobicContact CD1-CB 4.42Å; L23-V27 HydrophobicContact CD1-CG1 3.94Å; L23-V27 HydrophobicContact CD2-CB 4.12Å; L23-V27 HydrophobicContact CD2-CG1 3.88Å; L23-V27 WeakPolarHBondContact CD2-O 3.31Å; L23-V27 HydrophobicContact CG-CB 3.95Å; L23-V27 HydrophobicContact CG-CG1 3.91Å; L23-R82 PolarHBondContact O-NH2 2.69Å
24	P	92.9	Very high	74.3	Confident	17 Å²	17	86.2 Å²	86.2	11%	0.11	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-54.5	155.8	-175.9	-26.9	34.6	0	0	0	113.6	V27 Y35 W52 V55 N56	P24-V27 HydrophobicContact CB-CG2 3.94Å; P24-V27 HydrophobicContact CG-CG2 4.46Å; P24-V27 PolarHBondContact O-N 3.15Å; P24-Y35 HydrophobicContact CG-CD1 4.35Å; P24-W52 HydrophobicContact CG-CH2 3.83Å; P24-W52 HydrophobicContact CG-CZ2 4.07Å; P24-V55 HydrophobicContact CG-CG1 4.42Å; P24-N56 WeakPolarHBondContact CB-ND2 3.49Å
25	K	94.1	Very high	76.3	Confident	78 Å²	78	80.6 Å²	80.6	34%	0.339	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	144.2	173	-76.7	179.2	158.3	-70.8	0	110.4	V27 N56 G70 F79 G107 Y110	K25-V27 PolarHBondContact O-N 2.96Å; K25-V27 VanDerWaalsContact O-N 3.13Å; K25-N56 PolarHBondContact O-ND2 3.03Å; K25-G70 WeakPolarHBondContact O-CA 3.49Å; K25-G70 PolarHBondContact O-N 2.6Å; K25-F79 HydrophobicContact CB-CE2 4.28Å; K25-G107 PolarHBondContact NZ-O 2.88Å; K25-Y110 HydrophobicContact CD-CD1 3.72Å; K25-Y110 HydrophobicContact CD-CD2 3.82Å; K25-Y110 HydrophobicContact CD-CE1 3.93Å; K25-Y110 HydrophobicContact CD-CE2 4.03Å; K25-Y110 HydrophobicContact CD-CG 3.68Å; K25-Y110 VanDerWaalsContact NZ-CG 3.28Å
26	G	95	Very high	78.3	Confident	2 Å²	2	78.7 Å²	78.7	2%	0.021	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	6.6	-179.5	0	0	0	0	0	116.6	P69 F80	G26-P69 WeakPolarHBondContact CA-O 3.47Å; G26-F80 WeakPolarHBondContact O-CB 3.46Å; G26-F80 PolarHBondContact O-N 2.95Å
27	V	95.2	Very high	80.6	Confident	3 Å²	3	79.2 Å²	79.2	2%	0.018	42%	0.424	C	S	.	.			trans	-96.6	131.7	174.7	-175.8	0	0	0	0	111.2	L23 P24 K25 R31 Y35 P69	L23-V27 HydrophobicContact CD1-CB 4.42Å; L23-V27 HydrophobicContact CD1-CG1 3.94Å; L23-V27 HydrophobicContact CD2-CB 4.12Å; L23-V27 HydrophobicContact CD2-CG1 3.88Å; L23-V27 WeakPolarHBondContact CD2-O 3.31Å; L23-V27 HydrophobicContact CG-CB 3.95Å; L23-V27 HydrophobicContact CG-CG1 3.91Å; P24-V27 HydrophobicContact CB-CG2 3.94Å; P24-V27 HydrophobicContact CG-CG2 4.46Å; P24-V27 PolarHBondContact O-N 3.15Å; K25-V27 PolarHBondContact O-N 2.96Å; K25-V27 VanDerWaalsContact O-N 3.13Å; V27-R31 HydrophobicContact CG1-CB 4.11Å; V27-Y35 HydrophobicContact CB-CD2 4.45Å; V27-Y35 HydrophobicContact CG1-CD2 3.43Å; V27-Y35 VanDerWaalsContact CG1-CD2 3.43Å; V27-Y35 HydrophobicContact CG1-CE2 3.61Å; V27-Y35 HydrophobicContact CG1-CG 4.02Å; V27-Y35 HydrophobicContact CG2-CD1 3.94Å; V27-Y35 HydrophobicContact CG2-CD2 4.1Å; V27-Y35 HydrophobicContact CG2-CE1 3.85Å; V27-Y35 HydrophobicContact CG2-CE2 4.03Å; V27-Y35 HydrophobicContact CG2-CG 4.05Å; V27-P69 HydrophobicContact CG2-CB 3.76Å; V27-P69 HydrophobicContact CG2-CG 3.33Å
28	P	93.4	Very high	82.7	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.032	42%	0.418	C	S	.	.			trans	-78.3	151.8	173.2	34.9	-39.3	0	0	0	112.2	S30 R31 S32 F80 Y90	P28-S30 PolarHBondContact O-N 3.28Å; P28-S30 VanDerWaalsContact O-N 3.1Å; P28-R31 HydrophobicContact CG-CB 3.9Å; P28-R31 HydrophobicContact CG-CG 3.83Å; P28-R31 PolarHBondContact O-N 2.9Å; P28-S32 PolarHBondContact O-N 2.98Å; P28-F80 HydrophobicContact CB-CD1 3.81Å; P28-F80 HydrophobicContact CB-CD2 3.87Å; P28-F80 HydrophobicContact CB-CE1 3.79Å; P28-F80 HydrophobicContact CB-CE2 3.82Å; P28-F80 HydrophobicContact CB-CG 3.84Å; P28-F80 HydrophobicContact CB-CZ 3.78Å; P28-Y90 WeakPolarHBondContact CG-OH 3.05Å
29	I	90.4	Very high	85.2	Confident	144 Å²	144	73.3 Å²	73.3	74%	0.738	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-54.9	-33.8	176.3	-61.5	174.4	0	0	0	111.8	R31 S32	I29-R31 PolarHBondContact O-N 2.65Å; I29-S32 VanDerWaalsContact O-CB 3.26Å; I29-S32 WeakPolarHBondContact O-CB 3.47Å; I29-S32 PolarHBondContact O-N 2.96Å; I29-S32 VanDerWaalsContact O-N 3.11Å; I29-S32 PolarHBondContact O-OG 3.03Å
30	S	91.9	Very high	87.8	Confident	98 Å²	98	70.7 Å²	70.7	69%	0.685	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64.3	-18.9	176.4	54	0	0	0	0	114.8	P28	P28-S30 PolarHBondContact O-N 3.28Å; P28-S30 VanDerWaalsContact O-N 3.1Å
31	R	93.6	Very high	90.3	Very high	108 Å²	108	67.9 Å²	67.9	41%	0.408	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-103.5	3.6	174	-69.2	-176.3	168.6	-165.4	-6.8	113.6	V27 P28 I29 S33 F34 Y35	V27-R31 HydrophobicContact CG1-CB 4.11Å; P28-R31 HydrophobicContact CG-CB 3.9Å; P28-R31 HydrophobicContact CG-CG 3.83Å; P28-R31 PolarHBondContact O-N 2.9Å; I29-R31 PolarHBondContact O-N 2.65Å; R31-S33 PolarHBondContact O-N 3.13Å; R31-F34 HydrophobicContact CB-CD2 4.06Å; R31-F34 HydrophobicContact CG-CD2 4.35Å; R31-F34 WeakPolarHBondContact O-CD2 3.4Å; R31-F34 PolarHBondContact O-N 3.36Å; R31-Y35 HydrophobicContact CB-CD2 4.42Å; R31-Y35 HydrophobicContact CB-CE2 4.11Å; R31-Y35 WeakPolarHBondContact O-CD2 3.15Å
32	S	92.1	Very high	92.2	Very high	55 Å²	55	66.2 Å²	66.2	39%	0.385	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.7	-179.3	58.2	0	0	0	0	115.2	P28 I29 F34	P28-S32 PolarHBondContact O-N 2.98Å; I29-S32 VanDerWaalsContact O-CB 3.26Å; I29-S32 WeakPolarHBondContact O-CB 3.47Å; I29-S32 PolarHBondContact O-N 2.96Å; I29-S32 VanDerWaalsContact O-N 3.11Å; I29-S32 PolarHBondContact O-OG 3.03Å; S32-F34 PolarHBondContact O-N 2.62Å
33	S	93.3	Very high	93	Very high	64 Å²	64	59.1 Å²	59.1	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.9	174.9	51	0	0	0	0	114.8	R31 K36	R31-S33 PolarHBondContact O-N 3.13Å; S33-K36 VanDerWaalsContact O-CE 3.24Å; S33-K36 WeakPolarHBondContact O-CE 3.4Å; S33-K36 PolarHBondContact O-NZ 3.06Å
34	F	93.5	Very high	93.3	Very high	111 Å²	111	60.3 Å²	60.3	49%	0.487	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-38	179.6	-57.5	-78.9	0	0	0	112.4	R31 S32 K36 L44	R31-F34 HydrophobicContact CB-CD2 4.06Å; R31-F34 HydrophobicContact CG-CD2 4.35Å; R31-F34 WeakPolarHBondContact O-CD2 3.4Å; R31-F34 PolarHBondContact O-N 3.36Å; S32-F34 PolarHBondContact O-N 2.62Å; F34-K36 PolarHBondContact O-N 3.11Å; F34-K36 VanDerWaalsContact O-N 3.15Å; F34-L44 HydrophobicContact CB-CD2 3.8Å; F34-L44 HydrophobicContact CD1-CD2 3.51Å; F34-L44 HydrophobicContact CD2-CD2 4.15Å; F34-L44 HydrophobicContact CE1-CD2 4.08Å; F34-L44 HydrophobicContact CG-CD2 3.55Å
35	Y	94.6	Very high	93.4	Very high	10 Å²	10	63.3 Å²	63.3	4%	0.039	35%	0.354	C	S	.	.			trans	-91.9	69.9	-172.9	-62.8	-94.6	0	0	0	111.8	P24 V27 R31 F41 V55 S66 P69	P24-Y35 HydrophobicContact CG-CD1 4.35Å; V27-Y35 HydrophobicContact CB-CD2 4.45Å; V27-Y35 HydrophobicContact CG1-CD2 3.43Å; V27-Y35 VanDerWaalsContact CG1-CD2 3.43Å; V27-Y35 HydrophobicContact CG1-CE2 3.61Å; V27-Y35 HydrophobicContact CG1-CG 4.02Å; V27-Y35 HydrophobicContact CG2-CD1 3.94Å; V27-Y35 HydrophobicContact CG2-CD2 4.1Å; V27-Y35 HydrophobicContact CG2-CE1 3.85Å; V27-Y35 HydrophobicContact CG2-CE2 4.03Å; V27-Y35 HydrophobicContact CG2-CG 4.05Å; R31-Y35 HydrophobicContact CB-CD2 4.42Å; R31-Y35 HydrophobicContact CB-CE2 4.11Å; R31-Y35 WeakPolarHBondContact O-CD2 3.15Å; Y35-F41 HydrophobicContact CD1-CD2 4.3Å; Y35-F41 AromaticContact CD1-CE2 3.74Å; Y35-F41 HydrophobicContact CD1-CE2 3.74Å; Y35-F41 HydrophobicContact CD1-CZ 4.37Å; Y35-F41 AromaticContact CE1-CE2 3.62Å; Y35-F41 HydrophobicContact CE1-CE2 3.62Å; Y35-F41 AromaticContact CE1-CZ 3.78Å; Y35-F41 HydrophobicContact CE1-CZ 3.78Å; Y35-F41 HydrophobicContact CE2-CE2 4.48Å; Y35-F41 HydrophobicContact CG-CE2 4.27Å; Y35-V55 HydrophobicContact CD1-CG1 4.09Å; Y35-V55 HydrophobicContact CE1-CG1 4.37Å; Y35-S66 VanDerWaalsContact CE1-O 3.25Å; Y35-S66 WeakPolarHBondContact CE1-O 3.11Å; Y35-S66 PolarHBondContact OH-O 3.34Å; Y35-P69 HydrophobicContact CE1-CG 3.82Å
36	K	91.7	Very high	93.4	Very high	103 Å²	103	62.1 Å²	62.1	45%	0.448	36%	0.363	S	S	.	.			trans	-91.6	112.3	-177	-68.2	179.4	-179.9	113.7	0	112.2	S33 F34 G38 Q39 W52	S33-K36 VanDerWaalsContact O-CE 3.24Å; S33-K36 WeakPolarHBondContact O-CE 3.4Å; S33-K36 PolarHBondContact O-NZ 3.06Å; F34-K36 PolarHBondContact O-N 3.11Å; F34-K36 VanDerWaalsContact O-N 3.15Å; K36-G38 PolarHBondContact O-N 3.04Å; K36-Q39 HydrophobicContact CB-CB 4.21Å; K36-Q39 HydrophobicContact CB-CG 4.11Å; K36-Q39 PolarHBondContact O-N 3.4Å; K36-Q39 VanDerWaalsContact O-N 3.1Å; K36-W52 VanDerWaalsContact O-CE3 3.27Å; K36-W52 WeakPolarHBondContact O-CZ3 3.48Å
37	V	89.2	Confident	93.2	Very high	66 Å²	66	64.7 Å²	64.7	40%	0.4	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	128.8	-178	-178.4	0	0	0	0	112.3	D21 Q39 W52	D21-V37 HydrophobicContact CB-CB 4.48Å; D21-V37 HydrophobicContact CB-CG2 3.76Å; V37-Q39 PolarHBondContact O-N 3.38Å; V37-W52 HydrophobicContact CB-CZ2 4.26Å; V37-W52 HydrophobicContact CG2-CH2 4.36Å; V37-W52 HydrophobicContact CG2-CZ2 3.78Å
38	G	87.7	Confident	93.1	Very high	56 Å²	56	66.5 Å²	66.5	58%	0.577	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	2.4	177	0	0	0	0	0	116	K36 W52	K36-G38 PolarHBondContact O-N 3.04Å; G38-W52 VanDerWaalsContact N-CG 3.25Å
39	Q	91.3	Very high	93.3	Very high	115 Å²	115	69.9 Å²	69.9	54%	0.537	42%	0.422	S	S	.	.	S	Bend	trans	-96.6	151.2	171.2	-56.5	-174.1	16.5	0	0	109.9	K36 V37 F41 W52	K36-Q39 HydrophobicContact CB-CB 4.21Å; K36-Q39 HydrophobicContact CB-CG 4.11Å; K36-Q39 PolarHBondContact O-N 3.4Å; K36-Q39 VanDerWaalsContact O-N 3.1Å; V37-Q39 PolarHBondContact O-N 3.38Å; Q39-F41 PolarHBondContact O-N 3.4Å; Q39-W52 WeakPolarHBondContact O-CB 2.93Å
40	S	94	Very high	93.5	Very high	89 Å²	89	63.8 Å²	63.8	62%	0.622	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-58.4	122.6	172.5	52.2	0	0	0	0	109.7	I50	S40-I50 WeakPolarHBondContact CA-O 3.41Å
41	F	96.5	Very high	93.7	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.8	176.5	-178.1	-105.9	0	0	0	109.3	Y35 Q39 A49 I50 V55 S66 D67	Y35-F41 HydrophobicContact CD1-CD2 4.3Å; Y35-F41 AromaticContact CD1-CE2 3.74Å; Y35-F41 HydrophobicContact CD1-CE2 3.74Å; Y35-F41 HydrophobicContact CD1-CZ 4.37Å; Y35-F41 AromaticContact CE1-CE2 3.62Å; Y35-F41 HydrophobicContact CE1-CE2 3.62Å; Y35-F41 AromaticContact CE1-CZ 3.78Å; Y35-F41 HydrophobicContact CE1-CZ 3.78Å; Y35-F41 HydrophobicContact CE2-CE2 4.48Å; Y35-F41 HydrophobicContact CG-CE2 4.27Å; Q39-F41 PolarHBondContact O-N 3.4Å; F41-A49 CarbonylContact O-C 3.49Å; F41-A49 WeakPolarHBondContact O-CA 3.37Å; F41-I50 HydrophobicContact CB-CG1 4.04Å; F41-I50 HydrophobicContact CD1-CD1 3.94Å; F41-I50 HydrophobicContact CD1-CG1 4.01Å; F41-I50 PolarHBondContact N-O 2.87Å; F41-I50 VanDerWaalsContact N-O 3.11Å; F41-I50 PolarHBondContact O-N 2.83Å; F41-V55 HydrophobicContact CB-CG2 3.79Å; F41-V55 HydrophobicContact CD1-CG2 4.09Å; F41-V55 HydrophobicContact CD2-CG2 4.43Å; F41-V55 HydrophobicContact CG-CG2 3.85Å; F41-S66 WeakPolarHBondContact CE1-O 3.06Å; F41-S66 WeakPolarHBondContact CZ-O 3.4Å; F41-D67 HydrophobicContact CE1-CB 4.39Å
42	T	96.7	Very high	93.8	Very high	77 Å²	77	58 Å²	58	47%	0.472	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	170.8	-54.4	0	0	0	0	107	S48	T42-S48 WeakPolarHBondContact CA-O 3.19Å; T42-S48 WeakPolarHBondContact CG2-O 3.47Å
43	C	96.8	Very high	93.9	Very high	4 Å²	4	65 Å²	65	3%	0.027	38%	0.38	C	S	.	.			trans	-52.6	144.6	175.2	-49.2	0	0	0	0	110	D45 G46 S48 C62 S66	C43-D45 VanDerWaalsContact C-N 3.25Å; C43-D45 WeakPolarHBondContact CB-OD1 3.28Å; C43-D45 PolarHBondContact O-N 3.04Å; C43-G46 WeakPolarHBondContact O-CA 3.46Å; C43-G46 PolarHBondContact O-N 2.93Å; C43-S48 PolarHBondContact N-O 2.84Å; C43-S48 VanDerWaalsContact SG-CB 3.5Å; C43-S48 PolarHBondContact SG-O 3.38Å; C43-C62 VanDerWaalsContact CA-SG 3.54Å; C43-C62 HydrophobicContact CB-CB 3.68Å; C43-C62 WeakPolarHBondContact CB-SG 3.33Å; C43-C62 WeakPolarHBondContact SG-CA 3.38Å; C43-C62 WeakPolarHBondContact SG-CB 3.33Å; C43-C62 CovalentContact SG-SG 2.03Å; C43-C62 PolarHBondContact SG-SG 3.46Å; C43-S66 WeakPolarHBondContact CA-OG 3.39Å
44	L	95.3	Very high	94.1	Very high	56 Å²	56	64.5 Å²	64.5	29%	0.293	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.7	-173.2	-57.1	175.1	0	0	0	112.3	F34 G46 D64 S66	F34-L44 HydrophobicContact CB-CD2 3.8Å; F34-L44 HydrophobicContact CD1-CD2 3.51Å; F34-L44 HydrophobicContact CD2-CD2 4.15Å; F34-L44 HydrophobicContact CE1-CD2 4.08Å; F34-L44 HydrophobicContact CG-CD2 3.55Å; L44-G46 VanDerWaalsContact C-N 3.29Å; L44-D64 WeakPolarHBondContact CA-OD2 3.16Å; L44-D64 WeakPolarHBondContact CB-OD2 3.4Å; L44-D64 PolarHBondContact N-OD2 3Å; L44-S66 PolarHBondContact N-OG 3.14Å
45	D	94.5	Very high	94.2	Very high	81 Å²	81	60.1 Å²	60.1	43%	0.433	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.4	166.7	81.4	-24.8	0	0	0	114.7	C43 S47 D64	C43-D45 VanDerWaalsContact C-N 3.25Å; C43-D45 WeakPolarHBondContact CB-OD1 3.28Å; C43-D45 PolarHBondContact O-N 3.04Å; D45-S47 WeakPolarHBondContact OD1-CB 3.22Å; D45-S47 PolarHBondContact OD1-N 2.75Å; D45-S47 PolarHBondContact OD1-OG 2.96Å; D45-S47 WeakPolarHBondContact OD2-CB 3.47Å; D45-S47 PolarHBondContact OD2-OG 3.33Å; D45-D64 HydrophobicContact CB-CB 3.96Å; D45-D64 PolarHBondContact N-OD2 3.44Å
46	G	94	Very high	94.3	Very high	52 Å²	52	61.7 Å²	61.7	54%	0.536	36%	0.362	S	S	.	.	S	Bend	trans	76.4	12.3	-177.2	0	0	0	0	0	115.6	C43 L44 S48	C43-G46 WeakPolarHBondContact O-CA 3.46Å; C43-G46 PolarHBondContact O-N 2.93Å; L44-G46 VanDerWaalsContact C-N 3.29Å; G46-S48 PolarHBondContact O-N 3.19Å
47	S	92.5	Very high	94.5	Very high	56 Å²	56	60.2 Å²	60.2	39%	0.392	36%	0.359	S	S	.	.	S	Bend	trans	-62.3	-40	-177.7	52.9	0	0	0	0	114	D45	D45-S47 WeakPolarHBondContact OD1-CB 3.22Å; D45-S47 PolarHBondContact OD1-N 2.75Å; D45-S47 PolarHBondContact OD1-OG 2.96Å; D45-S47 WeakPolarHBondContact OD2-CB 3.47Å; D45-S47 PolarHBondContact OD2-OG 3.33Å
48	S	93.1	Very high	94.8	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	37%	0.369	S	S	.	.			trans	-141.8	157.7	-173.4	-39.2	0	0	0	0	111.2	T42 C43 G46	T42-S48 WeakPolarHBondContact CA-O 3.19Å; T42-S48 WeakPolarHBondContact CG2-O 3.47Å; C43-S48 PolarHBondContact N-O 2.84Å; C43-S48 VanDerWaalsContact SG-CB 3.5Å; C43-S48 PolarHBondContact SG-O 3.38Å; G46-S48 PolarHBondContact O-N 3.19Å
49	A	96	Very high	95.3	Very high	75 Å²	75	66.5 Å²	66.5	62%	0.62	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.9	159.8	0	0	0	0	0	108.4	F41	F41-A49 CarbonylContact O-C 3.49Å; F41-A49 WeakPolarHBondContact O-CA 3.37Å
50	I	95.5	Very high	95.5	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	173.6	-170.6	66.1	-179.1	0	0	0	111.1	S40 F41 Q54 D61 D67	S40-I50 WeakPolarHBondContact CA-O 3.41Å; F41-I50 HydrophobicContact CB-CG1 4.04Å; F41-I50 HydrophobicContact CD1-CD1 3.94Å; F41-I50 HydrophobicContact CD1-CG1 4.01Å; F41-I50 PolarHBondContact N-O 2.87Å; F41-I50 VanDerWaalsContact N-O 3.11Å; F41-I50 PolarHBondContact O-N 2.83Å; I50-Q54 HydrophobicContact CB-CB 4.35Å; I50-Q54 HydrophobicContact CD1-CB 3.91Å; I50-Q54 WeakPolarHBondContact CD1-O 3.34Å; I50-Q54 HydrophobicContact CG1-CB 4.29Å; I50-D61 HydrophobicContact CD1-CB 4.33Å; I50-D61 HydrophobicContact CG2-CB 4.16Å; I50-D67 HydrophobicContact CD1-CB 3.71Å
51	S	96	Very high	95.7	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	34%	0.343	S	S	.	.			trans	-72.1	151	174.4	-146.1	0	0	0	0	111.2	W53 Q54	S51-W53 PolarHBondContact O-N 3.23Å; S51-W53 VanDerWaalsContact O-N 3.1Å; S51-Q54 PolarHBondContact O-N 3.04Å
52	W	95.2	Very high	95.7	Very high	32 Å²	32	61.8 Å²	61.8	12%	0.121	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.2	170.2	-179.3	-104.6	0	0	0	112.7	P24 K36 V37 G38 Q39 Q54 V55	P24-W52 HydrophobicContact CG-CH2 3.83Å; P24-W52 HydrophobicContact CG-CZ2 4.07Å; K36-W52 VanDerWaalsContact O-CE3 3.27Å; K36-W52 WeakPolarHBondContact O-CZ3 3.48Å; V37-W52 HydrophobicContact CB-CZ2 4.26Å; V37-W52 HydrophobicContact CG2-CH2 4.36Å; V37-W52 HydrophobicContact CG2-CZ2 3.78Å; G38-W52 VanDerWaalsContact N-CG 3.25Å; Q39-W52 WeakPolarHBondContact O-CB 2.93Å; W52-Q54 PolarHBondContact O-N 3.17Å; W52-V55 HydrophobicContact CE3-CG2 4.39Å; W52-V55 HydrophobicContact CH2-CG1 4.5Å; W52-V55 HydrophobicContact CZ3-CG2 4.5Å
53	W	94.9	Very high	95.6	Very high	200 Å²	200	68 Å²	68	76%	0.758	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.7	-179.1	-46	108.7	0	0	0	114.1	S51	S51-W53 PolarHBondContact O-N 3.23Å; S51-W53 VanDerWaalsContact O-N 3.1Å
54	Q	96.2	Very high	95.5	Very high	55 Å²	55	69.9 Å²	69.9	26%	0.257	37%	0.368	S	S	.	.	S	Bend	trans	-107.5	42.7	173.9	-61.4	166.2	-99.8	0	0	109.4	I50 S51 W52 D61	I50-Q54 HydrophobicContact CB-CB 4.35Å; I50-Q54 HydrophobicContact CD1-CB 3.91Å; I50-Q54 WeakPolarHBondContact CD1-O 3.34Å; I50-Q54 HydrophobicContact CG1-CB 4.29Å; S51-Q54 PolarHBondContact O-N 3.04Å; W52-Q54 PolarHBondContact O-N 3.17Å; Q54-D61 PolarHBondContact NE2-OD2 2.82Å
55	V	96.5	Very high	95.5	Very high	18 Å²	18	67.5 Å²	67.5	11%	0.109	36%	0.356	C	S	.	.	S	Bend	trans	-132.8	109.9	178.6	176.4	0	0	0	0	107.2	P24 Y35 F41 W52 D67	P24-V55 HydrophobicContact CG-CG1 4.42Å; Y35-V55 HydrophobicContact CD1-CG1 4.09Å; Y35-V55 HydrophobicContact CE1-CG1 4.37Å; F41-V55 HydrophobicContact CB-CG2 3.79Å; F41-V55 HydrophobicContact CD1-CG2 4.09Å; F41-V55 HydrophobicContact CD2-CG2 4.43Å; F41-V55 HydrophobicContact CG-CG2 3.85Å; W52-V55 HydrophobicContact CE3-CG2 4.39Å; W52-V55 HydrophobicContact CH2-CG1 4.5Å; W52-V55 HydrophobicContact CZ3-CG2 4.5Å; V55-D67 CarbonylContact C-O 3.58Å; V55-D67 VanDerWaalsContact CA-O 3.29Å; V55-D67 WeakPolarHBondContact CA-O 3.42Å; V55-D67 WeakPolarHBondContact CG1-O 3.49Å
56	N	96.5	Very high	95.6	Very high	43 Å²	43	64 Å²	64	23%	0.23	34%	0.338	C	S	.	.	S	Bend	trans	56.7	54.9	-161.7	-60.8	-33.6	0	0	0	112.8	P24 K25 D67 E68 P69 G70 T71	P24-N56 WeakPolarHBondContact CB-ND2 3.49Å; K25-N56 PolarHBondContact O-ND2 3.03Å; N56-D67 PolarHBondContact N-O 3.26Å; N56-E68 WeakPolarHBondContact CA-OE1 3.34Å; N56-E68 PolarHBondContact N-OE1 2.93Å; N56-P69 VanDerWaalsContact OD1-CD 3.26Å; N56-P69 WeakPolarHBondContact OD1-CD 3.3Å; N56-G70 WeakPolarHBondContact OD1-CA 3.21Å; N56-G70 PolarHBondContact OD1-N 2.97Å; N56-T71 HydrophobicContact CB-CG2 3.81Å
57	D	96.5	Very high	95.8	Very high	72 Å²	72	61.5 Å²	61.5	39%	0.385	31%	0.312	S	S	.	.	S	Bend	trans	-106.9	10.5	174.5	90.8	-18.1	0	0	0	114.9	Y59 E68	D57-Y59 VanDerWaalsContact C-N 3.28Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.47Å; D57-Y59 PolarHBondContact OD1-N 3.36Å; D57-E68 PolarHBondContact N-OE1 3.45Å; D57-E68 PolarHBondContact N-OE2 2.81Å
58	D	96	Very high	96	Very high	112 Å²	112	58.8 Å²	58.8	60%	0.599	29%	0.294	S	S	*	.	S	Bend	trans	66.6	21.2	-175.8	-62.6	-48.4	0	0	0	113.9	E68 T71 A73	D58-E68 VanDerWaalsContact CA-OE2 3.29Å; D58-E68 WeakPolarHBondContact CA-OE2 3.18Å; D58-E68 PolarHBondContact N-OE2 3.35Å; D58-T71 WeakPolarHBondContact OD1-CB 3.33Å; D58-T71 WeakPolarHBondContact OD1-CG2 3.3Å; D58-A73 VanDerWaalsContact C-CB 3.45Å; D58-A73 WeakPolarHBondContact O-CB 3.3Å
59	Y	96.8	Very high	96.2	Very high	143 Å²	143	57.2 Å²	57.2	56%	0.561	28%	0.282	S	S	*	.			trans	-131.2	142	174.1	-173.5	-92.1	0	0	0	112.7	D57 D61 E68	D57-Y59 VanDerWaalsContact C-N 3.28Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.47Å; D57-Y59 PolarHBondContact OD1-N 3.36Å; Y59-D61 WeakPolarHBondContact CE1-OD1 3.39Å; Y59-E68 WeakPolarHBondContact O-CG 3.23Å
60	C	97	Very high	96.2	Very high	49 Å²	49	53.6 Å²	53.6	33%	0.331	25%	0.253	S	S	.	.			trans	-99.4	96.4	-175.9	-162	0	0	0	0	111.7	C74	C60-C74 VanDerWaalsContact CA-SG 3.53Å; C60-C74 HydrophobicContact CB-CB 4.1Å; C60-C74 WeakPolarHBondContact CB-SG 3.47Å; C60-C74 WeakPolarHBondContact SG-CA 3.46Å; C60-C74 WeakPolarHBondContact SG-CB 3.37Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.65Å
61	D	96.8	Very high	96.3	Very high	58 Å²	58	53 Å²	53	31%	0.31	25%	0.249	S	C	.	.			trans	-94.7	-30.7	175.9	-88	-55.1	0	0	0	113.5	I50 Q54 Y59 D67	I50-D61 HydrophobicContact CD1-CB 4.33Å; I50-D61 HydrophobicContact CG2-CB 4.16Å; Q54-D61 PolarHBondContact NE2-OD2 2.82Å; Y59-D61 WeakPolarHBondContact CE1-OD1 3.39Å; D61-D67 WeakPolarHBondContact CA-OD2 3.5Å; D61-D67 PolarHBondContact N-OD2 2.9Å
62	C	96.4	Very high	96.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	25%	0.251	C	S	.	.	S	Bend	trans	-90.2	133.4	178.2	-72.7	0	0	0	0	111.7	C43 D64 G65 D67	C43-C62 VanDerWaalsContact CA-SG 3.54Å; C43-C62 HydrophobicContact CB-CB 3.68Å; C43-C62 WeakPolarHBondContact CB-SG 3.33Å; C43-C62 WeakPolarHBondContact SG-CA 3.38Å; C43-C62 WeakPolarHBondContact SG-CB 3.33Å; C43-C62 CovalentContact SG-SG 2.03Å; C43-C62 PolarHBondContact SG-SG 3.46Å; C62-D64 VanDerWaalsContact C-N 3.26Å; C62-D64 WeakPolarHBondContact CB-OD1 3.41Å; C62-D64 PolarHBondContact O-N 2.82Å; C62-G65 PolarHBondContact O-N 2.98Å; C62-D67 HydrophobicContact CB-CB 4.05Å; C62-D67 WeakPolarHBondContact CB-OD1 3.33Å; C62-D67 PolarHBondContact N-OD2 3.36Å
63	R	94.7	Very high	96.4	Very high	208 Å²	208	53.5 Å²	53.5	79%	0.785	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.1	-178	-173.5	178.9	177.3	-150.2	-4.8	113.2	N76	R63-N76 PolarHBondContact O-ND2 3.28Å
64	D	95	Very high	96.5	Very high	44 Å²	44	44 Å²	44	24%	0.235	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5	175.7	67.5	-8	0	0	0	114	L44 D45 C62 S66 N76	L44-D64 WeakPolarHBondContact CA-OD2 3.16Å; L44-D64 WeakPolarHBondContact CB-OD2 3.4Å; L44-D64 PolarHBondContact N-OD2 3Å; D45-D64 HydrophobicContact CB-CB 3.96Å; D45-D64 PolarHBondContact N-OD2 3.44Å; C62-D64 VanDerWaalsContact C-N 3.26Å; C62-D64 WeakPolarHBondContact CB-OD1 3.41Å; C62-D64 PolarHBondContact O-N 2.82Å; D64-S66 VanDerWaalsContact C-N 3.31Å; D64-S66 VanDerWaalsContact OD1-CB 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.01Å; D64-S66 WeakPolarHBondContact OD2-CB 3.42Å; D64-S66 PolarHBondContact OD2-OG 3.23Å; D64-N76 WeakPolarHBondContact CA-ND2 3.21Å; D64-N76 PolarHBondContact O-ND2 3.4Å; D64-N76 VanDerWaalsContact O-ND2 3.16Å
65	G	95.8	Very high	96.4	Very high	5 Å²	5	49.4 Å²	49.4	5%	0.052	25%	0.254	C	S	.	.	S	Bend	trans	65.4	29.1	-175.8	0	0	0	0	0	114.4	C62 D67 C74	C62-G65 PolarHBondContact O-N 2.98Å; G65-D67 VanDerWaalsContact C-OD1 3.28Å; G65-D67 WeakPolarHBondContact CA-OD1 3.48Å; G65-C74 WeakPolarHBondContact CA-SG 3.48Å
66	S	96.9	Very high	96.4	Very high	7 Å²	7	52.8 Å²	52.8	5%	0.049	27%	0.272	C	S	.	.			trans	-85.4	-10.9	179.1	61.3	0	0	0	0	115	Y35 F41 C43 L44 D64	Y35-S66 VanDerWaalsContact CE1-O 3.25Å; Y35-S66 WeakPolarHBondContact CE1-O 3.11Å; Y35-S66 PolarHBondContact OH-O 3.34Å; F41-S66 WeakPolarHBondContact CE1-O 3.06Å; F41-S66 WeakPolarHBondContact CZ-O 3.4Å; C43-S66 WeakPolarHBondContact CA-OG 3.39Å; L44-S66 PolarHBondContact N-OG 3.14Å; D64-S66 VanDerWaalsContact C-N 3.31Å; D64-S66 VanDerWaalsContact OD1-CB 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.01Å; D64-S66 WeakPolarHBondContact OD2-CB 3.42Å; D64-S66 PolarHBondContact OD2-OG 3.23Å
67	D	97.2	Very high	96.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-70.1	-37.3	165.8	50	-13.4	0	0	0	112.9	F41 I50 V55 N56 D61 C62 G65 P69 C74	F41-D67 HydrophobicContact CE1-CB 4.39Å; I50-D67 HydrophobicContact CD1-CB 3.71Å; V55-D67 CarbonylContact C-O 3.58Å; V55-D67 VanDerWaalsContact CA-O 3.29Å; V55-D67 WeakPolarHBondContact CA-O 3.42Å; V55-D67 WeakPolarHBondContact CG1-O 3.49Å; N56-D67 PolarHBondContact N-O 3.26Å; D61-D67 WeakPolarHBondContact CA-OD2 3.5Å; D61-D67 PolarHBondContact N-OD2 2.9Å; C62-D67 HydrophobicContact CB-CB 4.05Å; C62-D67 WeakPolarHBondContact CB-OD1 3.33Å; C62-D67 PolarHBondContact N-OD2 3.36Å; G65-D67 VanDerWaalsContact C-OD1 3.28Å; G65-D67 WeakPolarHBondContact CA-OD1 3.48Å; D67-P69 WeakPolarHBondContact O-CD 3.5Å; D67-C74 PolarHBondContact OD1-SG 3.02Å
68	E	97.5	Very high	96.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.			trans	-111	54.2	-174.5	-63.7	-63.1	102	0	0	113.5	N56 D57 D58 Y59 G70 T71 A73 C74	N56-E68 WeakPolarHBondContact CA-OE1 3.34Å; N56-E68 PolarHBondContact N-OE1 2.93Å; D57-E68 PolarHBondContact N-OE1 3.45Å; D57-E68 PolarHBondContact N-OE2 2.81Å; D58-E68 VanDerWaalsContact CA-OE2 3.29Å; D58-E68 WeakPolarHBondContact CA-OE2 3.18Å; D58-E68 PolarHBondContact N-OE2 3.35Å; Y59-E68 WeakPolarHBondContact O-CG 3.23Å; E68-G70 PolarHBondContact O-N 3.31Å; E68-T71 WeakPolarHBondContact OE2-CB 3.36Å; E68-T71 WeakPolarHBondContact OE2-CG2 3.41Å; E68-T71 PolarHBondContact OE2-OG1 2.92Å; E68-A73 HydrophobicContact CB-CB 4.49Å; E68-A73 HydrophobicContact CG-CB 4.06Å; E68-C74 HydrophobicContact CB-CB 4.4Å
69	P	96.9	Very high	96.3	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.6	177.3	32.2	-37.1	0	0	0	112.7	G26 V27 Y35 N56 D67 F79	G26-P69 WeakPolarHBondContact CA-O 3.47Å; V27-P69 HydrophobicContact CG2-CB 3.76Å; V27-P69 HydrophobicContact CG2-CG 3.33Å; Y35-P69 HydrophobicContact CE1-CG 3.82Å; N56-P69 VanDerWaalsContact OD1-CD 3.26Å; N56-P69 WeakPolarHBondContact OD1-CD 3.3Å; D67-P69 WeakPolarHBondContact O-CD 3.5Å; P69-F79 WeakPolarHBondContact O-CA 3.27Å; P69-F79 WeakPolarHBondContact O-CD2 3.42Å
70	G	96.7	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.2	-170.6	0	0	0	0	0	115.5	K25 N56 E68 Y110	K25-G70 WeakPolarHBondContact O-CA 3.49Å; K25-G70 PolarHBondContact O-N 2.6Å; N56-G70 WeakPolarHBondContact OD1-CA 3.21Å; N56-G70 PolarHBondContact OD1-N 2.97Å; E68-G70 PolarHBondContact O-N 3.31Å; G70-Y110 WeakPolarHBondContact O-CE1 3.41Å; G70-Y110 PolarHBondContact O-OH 2.97Å; G70-Y110 VanDerWaalsContact O-OH 3.08Å
71	T	97	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.209	C	C	.	.	S	Bend	trans	-127	-178.3	-177.2	79.6	0	0	0	0	111.3	N56 D58 E68 A73	N56-T71 HydrophobicContact CB-CG2 3.81Å; D58-T71 WeakPolarHBondContact OD1-CB 3.33Å; D58-T71 WeakPolarHBondContact OD1-CG2 3.3Å; E68-T71 WeakPolarHBondContact OE2-CB 3.36Å; E68-T71 WeakPolarHBondContact OE2-CG2 3.41Å; E68-T71 PolarHBondContact OE2-OG1 2.92Å; T71-A73 WeakPolarHBondContact OG1-CB 3.46Å; T71-A73 PolarHBondContact OG1-N 3.39Å
72	S	96.6	Very high	95.9	Very high	60 Å²	60	43.4 Å²	43.4	42%	0.42	21%	0.21	S	C	.	.	S	Bend	trans	-97.4	6.3	174.1	50.5	0	0	0	0	114.7	S93 V96	S72-S93 VanDerWaalsContact CA-O 3.24Å; S72-S93 WeakPolarHBondContact CA-O 3.44Å; S72-S93 WeakPolarHBondContact CB-O 3.4Å; S72-V96 WeakPolarHBondContact CB-O 3.45Å; S72-V96 PolarHBondContact OG-O 3.11Å
73	A	97.3	Very high	95	Very high	38 Å²	38	47 Å²	47	31%	0.314	23%	0.229	S	C	.	.			trans	-71.1	-35.5	-166.7	0	0	0	0	0	115.3	D58 E68 T71	D58-A73 VanDerWaalsContact C-CB 3.45Å; D58-A73 WeakPolarHBondContact O-CB 3.3Å; E68-A73 HydrophobicContact CB-CB 4.49Å; E68-A73 HydrophobicContact CG-CB 4.06Å; T71-A73 WeakPolarHBondContact OG1-CB 3.46Å; T71-A73 PolarHBondContact OG1-N 3.39Å
74	C	96.7	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-94.7	123.3	178.4	-68.7	0	0	0	0	111.8	C60 G65 D67 E68 N76 G77 S93	C60-C74 VanDerWaalsContact CA-SG 3.53Å; C60-C74 HydrophobicContact CB-CB 4.1Å; C60-C74 WeakPolarHBondContact CB-SG 3.47Å; C60-C74 WeakPolarHBondContact SG-CA 3.46Å; C60-C74 WeakPolarHBondContact SG-CB 3.37Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.65Å; G65-C74 WeakPolarHBondContact CA-SG 3.48Å; D67-C74 PolarHBondContact OD1-SG 3.02Å; E68-C74 HydrophobicContact CB-CB 4.4Å; C74-N76 PolarHBondContact O-N 2.77Å; C74-N76 VanDerWaalsContact O-N 3.13Å; C74-G77 PolarHBondContact O-N 3.03Å; C74-S93 WeakPolarHBondContact O-CB 3.37Å; C74-S93 PolarHBondContact O-OG 2.95Å
75	L	94.8	Very high	93.5	Very high	168 Å²	168	45.7 Å²	45.7	88%	0.88	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.1	-178.2	-178.2	62.4	0	0	0	114.3
76	N	94.6	Very high	93	Very high	89 Å²	89	48.7 Å²	48.7	48%	0.476	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.9	176.1	52.7	-57.6	0	0	0	113.7	R63 D64 C74	R63-N76 PolarHBondContact O-ND2 3.28Å; D64-N76 WeakPolarHBondContact CA-ND2 3.21Å; D64-N76 PolarHBondContact O-ND2 3.4Å; D64-N76 VanDerWaalsContact O-ND2 3.16Å; C74-N76 PolarHBondContact O-N 2.77Å; C74-N76 VanDerWaalsContact O-N 3.13Å
77	G	94.6	Very high	92.5	Very high	4 Å²	4	52.9 Å²	52.9	4%	0.041	26%	0.257	C	S	.	.			trans	-65.2	157.3	177	0	0	0	0	0	112.6	C74 S93	C74-G77 PolarHBondContact O-N 3.03Å; G77-S93 WeakPolarHBondContact O-CB 3.34Å; G77-S93 PolarHBondContact O-N 3.4Å; G77-S93 PolarHBondContact O-OG 3.43Å
78	R	96.5	Very high	92.2	Very high	148 Å²	148	55.8 Å²	55.8	56%	0.558	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	117.2	-177.8	-61.8	-174.6	69.1	179.8	4.7	111.5	Y90 L91	R78-Y90 HydrophobicContact CB-CD1 4.16Å; R78-L91 CarbonylContact C-O 3.5Å; R78-L91 VanDerWaalsContact CA-O 3.3Å; R78-L91 WeakPolarHBondContact CA-O 3.46Å
79	F	97.2	Very high	91.9	Very high	5 Å²	5	58 Å²	58	2%	0.022	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125	-178.7	-173.5	-84.1	0	0	0	111.6	K25 P69 Y90 L91 V96 G107 D108	K25-F79 HydrophobicContact CB-CE2 4.28Å; P69-F79 WeakPolarHBondContact O-CA 3.27Å; P69-F79 WeakPolarHBondContact O-CD2 3.42Å; F79-Y90 CarbonylContact O-C 3.35Å; F79-Y90 VanDerWaalsContact O-CA 3.26Å; F79-Y90 WeakPolarHBondContact O-CA 3.41Å; F79-L91 HydrophobicContact CB-CB 4.49Å; F79-L91 PolarHBondContact N-O 2.94Å; F79-L91 PolarHBondContact O-N 2.04Å; F79-V96 HydrophobicContact CB-CG2 3.55Å; F79-V96 HydrophobicContact CD2-CG1 4.15Å; F79-V96 HydrophobicContact CD2-CG2 3.66Å; F79-V96 HydrophobicContact CE2-CG1 4.38Å; F79-V96 HydrophobicContact CG-CG2 3.7Å; F79-G107 WeakPolarHBondContact CZ-O 3.31Å; F79-D108 HydrophobicContact CE1-CB 4.3Å
80	F	96.7	Very high	91.9	Very high	31 Å²	31	61.6 Å²	61.6	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.9	174	-174.1	-101.9	0	0	0	112.2	G26 P28 P88 Y90	G26-F80 WeakPolarHBondContact O-CB 3.46Å; G26-F80 PolarHBondContact O-N 2.95Å; P28-F80 HydrophobicContact CB-CD1 3.81Å; P28-F80 HydrophobicContact CB-CD2 3.87Å; P28-F80 HydrophobicContact CB-CE1 3.79Å; P28-F80 HydrophobicContact CB-CE2 3.82Å; P28-F80 HydrophobicContact CB-CG 3.84Å; P28-F80 HydrophobicContact CB-CZ 3.78Å; F80-P88 HydrophobicContact CE1-CB 4.36Å; F80-P88 HydrophobicContact CE2-CB 3.56Å; F80-P88 HydrophobicContact CE2-CG 4.5Å; F80-P88 HydrophobicContact CZ-CB 3.42Å; F80-P88 VanDerWaalsContact CZ-CB 3.42Å; F80-P88 HydrophobicContact CZ-CG 4.39Å; F80-Y90 HydrophobicContact CB-CD1 4.09Å; F80-Y90 HydrophobicContact CB-CE1 3.91Å; F80-Y90 HydrophobicContact CD2-CD1 4.09Å; F80-Y90 HydrophobicContact CD2-CD2 4.18Å; F80-Y90 AromaticContact CD2-CE1 3.74Å; F80-Y90 HydrophobicContact CD2-CE1 3.74Å; F80-Y90 AromaticContact CD2-CE2 3.83Å; F80-Y90 HydrophobicContact CD2-CE2 3.83Å; F80-Y90 HydrophobicContact CD2-CG 4.32Å; F80-Y90 AromaticContact CD2-CZ 3.62Å; F80-Y90 HydrophobicContact CE2-CE2 4.2Å; F80-Y90 HydrophobicContact CG-CE1 4.29Å
81	C	95.3	Very high	91.8	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.1	165.1	-53.4	0	0	0	0	109.6	V89 C103	C81-V89 HydrophobicContact CB-CB 4.4Å; C81-V89 PolarHBondContact N-O 2.87Å; C81-C103 VanDerWaalsContact CA-SG 3.55Å; C81-C103 HydrophobicContact CB-CB 3.67Å; C81-C103 WeakPolarHBondContact CB-SG 3.36Å; C81-C103 WeakPolarHBondContact SG-CA 3.45Å; C81-C103 WeakPolarHBondContact SG-CB 3.44Å; C81-C103 CovalentContact SG-SG 2.04Å; C81-C103 PolarHBondContact SG-SG 2.88Å
82	R	88.7	Confident	91.8	Very high	88 Å²	88	65.3 Å²	65.3	33%	0.332	33%	0.325	S	S	.	.			trans	-79.9	133.1	-179	-64.6	178.3	174.7	173	-0.5	109.3	E22 L23 M84 D105	E22-R82 IonicContact OE1-NH1 3.13Å; E22-R82 PolarHBondContact OE1-NH1 2.77Å; E22-R82 VanDerWaalsContact OE1-NH1 3.13Å; L23-R82 PolarHBondContact O-NH2 2.69Å; R82-M84 PolarHBondContact O-N 3.1Å; R82-D105 PolarHBondContact N-OD2 2.62Å
83	D	79.1	Confident	91.8	Very high	78 Å²	78	62.7 Å²	62.7	42%	0.417	31%	0.307	S	S	.	.			trans	-75.3	109.1	173.8	-172.3	5.5	0	0	0	110.7	Q85 Y86 R87 P88	D83-Q85 PolarHBondContact OD1-N 3.43Å; D83-Y86 PolarHBondContact OD1-N 3.07Å; D83-R87 PolarHBondContact OD1-N 2.89Å; D83-P88 HydrophobicContact CB-CB 4.18Å; D83-P88 HydrophobicContact CB-CG 4.5Å
84	M	77.2	Confident	91.7	Very high	113 Å²	113	63.9 Å²	63.9	56%	0.557	32%	0.317	S	S	*	.	S	Bend	trans	-91.7	-17.2	172.5	-64.3	-163.4	74.7	0	0	113.6	R82 D105 C120	R82-M84 PolarHBondContact O-N 3.1Å; M84-D105 HydrophobicContact CG-CB 4.01Å; M84-D105 HydrophobicContact SD-CB 3.75Å; M84-C120 HydrophobicContact CB-CB 4.37Å
85	Q	80.4	Confident	91.7	Very high	111 Å²	111	68.9 Å²	68.9	52%	0.519	34%	0.336	S	S	.	.	S	Bend	trans	-178.7	-13.8	-174	-113.8	140.7	93.8	0	0	116.7	D83 C120 A124 R128	D83-Q85 PolarHBondContact OD1-N 3.43Å; Q85-C120 HydrophobicContact CB-CB 4.35Å; Q85-A124 HydrophobicContact CB-CB 4.18Å; Q85-A124 WeakPolarHBondContact O-CB 3.25Å; Q85-R128 PolarHBondContact O-NH2 3.31Å
86	Y	84.7	Confident	91.8	Very high	69 Å²	69	61 Å²	61	27%	0.271	30%	0.295	S	S	.	.	S	Bend	trans	-115	-89.2	-163.9	176.6	-131.3	0	0	0	111.1	D83 L123 A124 L127	D83-Y86 PolarHBondContact OD1-N 3.07Å; Y86-L123 HydrophobicContact CD1-CB 3.93Å; Y86-L123 HydrophobicContact CD1-CD1 3.95Å; Y86-L123 HydrophobicContact CD2-CB 3.75Å; Y86-L123 HydrophobicContact CE1-CB 4Å; Y86-L123 HydrophobicContact CE1-CD1 3.85Å; Y86-L123 HydrophobicContact CE2-CB 3.81Å; Y86-L123 HydrophobicContact CG-CB 3.81Å; Y86-A124 HydrophobicContact CD2-CB 4.32Å; Y86-L127 HydrophobicContact CD2-CD2 4.2Å; Y86-L127 HydrophobicContact CE2-CB 4.12Å; Y86-L127 HydrophobicContact CE2-CD2 3.96Å
87	R	86.9	Confident	91.9	Very high	94 Å²	94	58.8 Å²	58.8	36%	0.355	28%	0.284	S	S	.	.			trans	-154.7	155.4	166.6	83.5	178.1	-154.8	-145.4	-0.7	110.2	D83 V89 E449	D83-R87 PolarHBondContact OD1-N 2.89Å; R87-V89 HydrophobicContact CG-CG2 4.14Å; R87-E449 WeakPolarHBondContact CD-OE1 3.33Å; R87-E449 WeakPolarHBondContact CD-OE2 3.39Å; R87-E449 IonicContact CZ-OE2 3.76Å; R87-E449 IonicContact NE-OE1 2.89Å; R87-E449 IonicContact NE-OE2 3.96Å; R87-E449 IonicContact NH1-OE1 2.77Å; R87-E449 IonicContact NH1-OE2 3.78Å; R87-E449 PolarHBondContact NH1-OE2 3.47Å
88	P	89.9	Confident	92	Very high	62 Å²	62	61.8 Å²	61.8	40%	0.403	30%	0.299	S	S	.	.			trans	-75.9	148.4	170.3	30.7	-33.2	0	0	0	111.7	F80 D83	F80-P88 HydrophobicContact CE1-CB 4.36Å; F80-P88 HydrophobicContact CE2-CB 3.56Å; F80-P88 HydrophobicContact CE2-CG 4.5Å; F80-P88 HydrophobicContact CZ-CB 3.42Å; F80-P88 VanDerWaalsContact CZ-CB 3.42Å; F80-P88 HydrophobicContact CZ-CG 4.39Å; D83-P88 HydrophobicContact CB-CB 4.18Å; D83-P88 HydrophobicContact CB-CG 4.5Å
89	V	92.6	Very high	91.9	Very high	45 Å²	45	57.9 Å²	57.9	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.1	178.8	-179.8	0	0	0	0	109.5	C81 R87 L91	C81-V89 HydrophobicContact CB-CB 4.4Å; C81-V89 PolarHBondContact N-O 2.87Å; R87-V89 HydrophobicContact CG-CG2 4.14Å; V89-L91 HydrophobicContact CG1-CD2 4.14Å
90	Y	95.5	Very high	91.9	Very high	85 Å²	85	62.2 Å²	62.2	33%	0.333	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.8	165.8	-74.4	-85.7	0	0	0	109.9	P28 R78 F79 F80	P28-Y90 WeakPolarHBondContact CG-OH 3.05Å; R78-Y90 HydrophobicContact CB-CD1 4.16Å; F79-Y90 CarbonylContact O-C 3.35Å; F79-Y90 VanDerWaalsContact O-CA 3.26Å; F79-Y90 WeakPolarHBondContact O-CA 3.41Å; F80-Y90 HydrophobicContact CB-CD1 4.09Å; F80-Y90 HydrophobicContact CB-CE1 3.91Å; F80-Y90 HydrophobicContact CD2-CD1 4.09Å; F80-Y90 HydrophobicContact CD2-CD2 4.18Å; F80-Y90 AromaticContact CD2-CE1 3.74Å; F80-Y90 HydrophobicContact CD2-CE1 3.74Å; F80-Y90 AromaticContact CD2-CE2 3.83Å; F80-Y90 HydrophobicContact CD2-CE2 3.83Å; F80-Y90 HydrophobicContact CD2-CG 4.32Å; F80-Y90 AromaticContact CD2-CZ 3.62Å; F80-Y90 HydrophobicContact CE2-CE2 4.2Å; F80-Y90 HydrophobicContact CG-CE1 4.29Å
91	L	96.1	Very high	91.8	Very high	15 Å²	15	63.7 Å²	63.7	8%	0.079	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	156.6	169.3	-55	179.2	0	0	0	110.6	R78 F79 V89 D102 C103 D108	R78-L91 CarbonylContact C-O 3.5Å; R78-L91 VanDerWaalsContact CA-O 3.3Å; R78-L91 WeakPolarHBondContact CA-O 3.46Å; F79-L91 HydrophobicContact CB-CB 4.49Å; F79-L91 PolarHBondContact N-O 2.94Å; F79-L91 PolarHBondContact O-N 2.04Å; V89-L91 HydrophobicContact CG1-CD2 4.14Å; L91-D102 HydrophobicContact CD1-CB 3.56Å; L91-D102 HydrophobicContact CD2-CB 3.96Å; L91-D102 HydrophobicContact CG-CB 4.42Å; L91-C103 VanDerWaalsContact CD1-SG 3.55Å; L91-D108 HydrophobicContact CD1-CB 4.32Å
92	P	96.9	Very high	91.8	Very high	65 Å²	65	66.9 Å²	66.9	42%	0.422	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	143.7	158.9	-15.2	30.7	0	0	0	109.9	A94 Y95	P92-A94 PolarHBondContact O-N 3.5Å; P92-A94 VanDerWaalsContact O-N 3.1Å; P92-Y95 HydrophobicContact CB-CD1 3.89Å; P92-Y95 HydrophobicContact CB-CE1 4.16Å; P92-Y95 HydrophobicContact CG-CD1 3.84Å; P92-Y95 HydrophobicContact CG-CE1 3.77Å; P92-Y95 WeakPolarHBondContact O-CB 3.33Å; P92-Y95 PolarHBondContact O-N 2.93Å
93	S	96	Very high	92.2	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.028	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-52.5	-30.8	175.2	52.8	0	0	0	0	114	S72 C74 G77 Y95 V96	S72-S93 VanDerWaalsContact CA-O 3.24Å; S72-S93 WeakPolarHBondContact CA-O 3.44Å; S72-S93 WeakPolarHBondContact CB-O 3.4Å; C74-S93 WeakPolarHBondContact O-CB 3.37Å; C74-S93 PolarHBondContact O-OG 2.95Å; G77-S93 WeakPolarHBondContact O-CB 3.34Å; G77-S93 PolarHBondContact O-N 3.4Å; G77-S93 PolarHBondContact O-OG 3.43Å; S93-Y95 PolarHBondContact O-N 3.2Å; S93-V96 WeakPolarHBondContact O-CB 3.46Å; S93-V96 WeakPolarHBondContact O-CG2 3.38Å; S93-V96 PolarHBondContact O-N 2.8Å; S93-V96 VanDerWaalsContact O-N 3.15Å
94	A	95.8	Very high	92.9	Very high	64 Å²	64	60 Å²	60	53%	0.529	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.8	-13.4	177.6	0	0	0	0	0	114.8	P92 V96	P92-A94 PolarHBondContact O-N 3.5Å; P92-A94 VanDerWaalsContact O-N 3.1Å; A94-V96 VanDerWaalsContact C-N 3.35Å
95	Y	96.4	Very high	93.7	Very high	104 Å²	104	56 Å²	56	41%	0.408	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-98.6	23.3	179.3	-67.4	48.8	0	0	0	111	P92 S93 D102	P92-Y95 HydrophobicContact CB-CD1 3.89Å; P92-Y95 HydrophobicContact CB-CE1 4.16Å; P92-Y95 HydrophobicContact CG-CD1 3.84Å; P92-Y95 HydrophobicContact CG-CE1 3.77Å; P92-Y95 WeakPolarHBondContact O-CB 3.33Å; P92-Y95 PolarHBondContact O-N 2.93Å; S93-Y95 PolarHBondContact O-N 3.2Å; Y95-D102 HydrophobicContact CD2-CB 4.46Å; Y95-D102 WeakPolarHBondContact CD2-OD2 3.4Å
96	V	97.1	Very high	94.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.282	C	S	.	.	S	Bend	trans	-116.4	114.8	-177.3	-178.2	0	0	0	0	109.5	S72 F79 S93 A94 D98 Y110	S72-V96 WeakPolarHBondContact CB-O 3.45Å; S72-V96 PolarHBondContact OG-O 3.11Å; F79-V96 HydrophobicContact CB-CG2 3.55Å; F79-V96 HydrophobicContact CD2-CG1 4.15Å; F79-V96 HydrophobicContact CD2-CG2 3.66Å; F79-V96 HydrophobicContact CE2-CG1 4.38Å; F79-V96 HydrophobicContact CG-CG2 3.7Å; S93-V96 WeakPolarHBondContact O-CB 3.46Å; S93-V96 WeakPolarHBondContact O-CG2 3.38Å; S93-V96 PolarHBondContact O-N 2.8Å; S93-V96 VanDerWaalsContact O-N 3.15Å; A94-V96 VanDerWaalsContact C-N 3.35Å; V96-D98 VanDerWaalsContact C-N 3.34Å; V96-Y110 HydrophobicContact CG1-CE1 3.74Å
97	N	96.3	Very high	94.7	Very high	44 Å²	44	49 Å²	49	24%	0.235	28%	0.277	C	S	.	.	S	Bend	trans	64.2	31.1	-172.4	-56.1	-63.3	0	0	0	114.1	S99 D108 E109 Y110 G111 S112	N97-S99 VanDerWaalsContact C-N 3.34Å; N97-D108 PolarHBondContact OD1-O 3.44Å; N97-E109 VanDerWaalsContact C-OE1 3.31Å; N97-E109 WeakPolarHBondContact CA-OE1 3.43Å; N97-E109 PolarHBondContact N-OE1 3.12Å; N97-Y110 VanDerWaalsContact ND2-CE1 3.28Å; N97-Y110 WeakPolarHBondContact ND2-CE1 3.43Å; N97-Y110 PolarHBondContact ND2-OH 3.2Å; N97-Y110 PolarHBondContact OD1-N 3.4Å; N97-G111 VanDerWaalsContact OD1-CA 3.28Å; N97-G111 WeakPolarHBondContact OD1-CA 3.35Å; N97-G111 PolarHBondContact OD1-N 3.18Å; N97-S112 PolarHBondContact OD1-N 2.68Å
98	D	96	Very high	95.2	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	26%	0.26	S	S	.	.	S	Bend	trans	-87	-4.6	178.1	94.6	-25.6	0	0	0	113.3	V96 I100 E109	V96-D98 VanDerWaalsContact C-N 3.34Å; D98-I100 WeakPolarHBondContact OD1-CA 3.33Å; D98-I100 WeakPolarHBondContact OD1-CB 3.39Å; D98-I100 WeakPolarHBondContact OD1-CG1 3.26Å; D98-I100 PolarHBondContact OD1-N 3.41Å; D98-E109 PolarHBondContact N-OE1 2.97Å
99	S	95.9	Very high	95.5	Very high	65 Å²	65	42.1 Å²	42.1	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	84.5	4.9	-175	-47.7	0	0	0	0	116.4	N97 E109 T114	N97-S99 VanDerWaalsContact C-N 3.34Å; S99-E109 WeakPolarHBondContact CA-OE2 3.42Å; S99-E109 PolarHBondContact N-OE2 3.42Å; S99-T114 WeakPolarHBondContact CB-OG1 3.49Å; S99-T114 PolarHBondContact O-OG1 2.77Å
100	I	96.5	Very high	95.5	Very high	97 Å²	97	44.1 Å²	44.1	50%	0.497	25%	0.247	S	C	.	.			trans	-103.1	145.5	173.2	-52.5	-180	0	0	0	109.8	D98 E109	D98-I100 WeakPolarHBondContact OD1-CA 3.33Å; D98-I100 WeakPolarHBondContact OD1-CB 3.39Å; D98-I100 WeakPolarHBondContact OD1-CG1 3.26Å; D98-I100 PolarHBondContact OD1-N 3.41Å; I100-E109 VanDerWaalsContact O-CD 3.3Å; I100-E109 WeakPolarHBondContact O-CG 3.46Å
101	C	95.3	Very high	95.4	Very high	62 Å²	62	42.8 Å²	42.8	42%	0.419	26%	0.258	S	S	.	.			trans	-98.7	93.4	179.6	-51.9	0	0	0	0	110.8	C116	C101-C116 HydrophobicContact CB-CB 3.77Å; C101-C116 WeakPolarHBondContact CB-SG 3.3Å; C101-C116 WeakPolarHBondContact SG-CA 3.4Å; C101-C116 WeakPolarHBondContact SG-CB 3.49Å; C101-C116 CovalentContact SG-SG 2.03Å; C101-C116 PolarHBondContact SG-SG 2.89Å
102	D	95.4	Very high	95.1	Very high	70 Å²	70	43.8 Å²	43.8	37%	0.374	27%	0.267	S	S	.	.			trans	-99.1	-32.5	-177.3	-82.4	-71.1	0	0	0	113	L91 Y95 D108	L91-D102 HydrophobicContact CD1-CB 3.56Å; L91-D102 HydrophobicContact CD2-CB 3.96Å; L91-D102 HydrophobicContact CG-CB 4.42Å; Y95-D102 HydrophobicContact CD2-CB 4.46Å; Y95-D102 WeakPolarHBondContact CD2-OD2 3.4Å; D102-D108 PolarHBondContact N-OD2 3.1Å
103	C	95.1	Very high	94.9	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.034	29%	0.287	C	S	.	.	S	Bend	trans	-77.8	132.8	169.5	-68.2	0	0	0	0	111.3	C81 L91 D105 G106 D108	C81-C103 VanDerWaalsContact CA-SG 3.55Å; C81-C103 HydrophobicContact CB-CB 3.67Å; C81-C103 WeakPolarHBondContact CB-SG 3.36Å; C81-C103 WeakPolarHBondContact SG-CA 3.45Å; C81-C103 WeakPolarHBondContact SG-CB 3.44Å; C81-C103 CovalentContact SG-SG 2.04Å; C81-C103 PolarHBondContact SG-SG 2.88Å; L91-C103 VanDerWaalsContact CD1-SG 3.55Å; C103-D105 WeakPolarHBondContact CB-OD1 3.4Å; C103-D105 PolarHBondContact O-N 3.31Å; C103-G106 PolarHBondContact O-N 2.89Å; C103-D108 HydrophobicContact CB-CB 4.27Å; C103-D108 PolarHBondContact N-OD2 3.28Å
104	C	94.5	Very high	94.8	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.108	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.2	178.5	73.4	0	0	0	0	114.5	S118 T119 C120 L123	C104-S118 CarbonylContact O-C 3.53Å; C104-S118 WeakPolarHBondContact O-CA 3.25Å; C104-S118 WeakPolarHBondContact O-CB 3.47Å; C104-S118 PolarHBondContact O-OG 3.4Å; C104-T119 WeakPolarHBondContact CB-OG1 3.22Å; C104-T119 PolarHBondContact O-N 3.21Å; C104-C120 HydrophobicContact CB-CB 3.98Å; C104-C120 WeakPolarHBondContact CB-SG 3.32Å; C104-C120 PolarHBondContact O-N 3.01Å; C104-C120 VanDerWaalsContact O-N 3.12Å; C104-C120 PolarHBondContact O-SG 3.11Å; C104-C120 VanDerWaalsContact SG-CA 3.55Å; C104-C120 WeakPolarHBondContact SG-CB 3.31Å; C104-C120 CovalentContact SG-SG 2.05Å; C104-C120 PolarHBondContact SG-SG 2.96Å; C104-L123 HydrophobicContact CB-CD1 3.73Å
105	D	93.5	Very high	94.8	Very high	31 Å²	31	52.1 Å²	52.1	17%	0.166	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.3	173.2	67.3	-12.1	0	0	0	113.2	R82 M84 C103 G107 C120	R82-D105 PolarHBondContact N-OD2 2.62Å; M84-D105 HydrophobicContact CG-CB 4.01Å; M84-D105 HydrophobicContact SD-CB 3.75Å; C103-D105 WeakPolarHBondContact CB-OD1 3.4Å; C103-D105 PolarHBondContact O-N 3.31Å; D105-G107 PolarHBondContact OD1-N 3.26Å; D105-C120 PolarHBondContact N-SG 3.06Å; D105-C120 VanDerWaalsContact N-SG 3.45Å
106	G	94.2	Very high	94.6	Very high	15 Å²	15	48.3 Å²	48.3	16%	0.155	30%	0.298	C	S	.	.			trans	66.8	21.8	-170.9	0	0	0	0	0	113.5	C103 D108	C103-G106 PolarHBondContact O-N 2.89Å; G106-D108 VanDerWaalsContact C-N 3.32Å; G106-D108 VanDerWaalsContact CA-OD1 3.31Å; G106-D108 WeakPolarHBondContact CA-OD1 3.5Å
107	G	93.9	Very high	94.5	Very high	17 Å²	17	52.6 Å²	52.6	18%	0.175	33%	0.326	C	S	.	.			trans	-74	-21.5	-174.9	0	0	0	0	0	115	K25 F79 D105 Y110	K25-G107 PolarHBondContact NZ-O 2.88Å; F79-G107 WeakPolarHBondContact CZ-O 3.31Å; D105-G107 PolarHBondContact OD1-N 3.26Å; G107-Y110 WeakPolarHBondContact O-CD1 3.28Å
108	D	95.7	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-64.5	-50.4	170.7	46.4	-6.2	0	0	0	112.3	F79 L91 N97 D102 C103 G106 Y110	F79-D108 HydrophobicContact CE1-CB 4.3Å; L91-D108 HydrophobicContact CD1-CB 4.32Å; N97-D108 PolarHBondContact OD1-O 3.44Å; D102-D108 PolarHBondContact N-OD2 3.1Å; C103-D108 HydrophobicContact CB-CB 4.27Å; C103-D108 PolarHBondContact N-OD2 3.28Å; G106-D108 VanDerWaalsContact C-N 3.32Å; G106-D108 VanDerWaalsContact CA-OD1 3.31Å; G106-D108 WeakPolarHBondContact CA-OD1 3.5Å; D108-Y110 WeakPolarHBondContact O-CD1 3.46Å; D108-Y110 PolarHBondContact O-N 2.94Å
109	E	96.2	Very high	94.3	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.056	34%	0.339	C	S	.	.			trans	-85.8	44.7	-173.7	-69.7	-60.9	108.9	0	0	113.5	N97 D98 S99 I100 S112 C116	N97-E109 VanDerWaalsContact C-OE1 3.31Å; N97-E109 WeakPolarHBondContact CA-OE1 3.43Å; N97-E109 PolarHBondContact N-OE1 3.12Å; D98-E109 PolarHBondContact N-OE1 2.97Å; S99-E109 WeakPolarHBondContact CA-OE2 3.42Å; S99-E109 PolarHBondContact N-OE2 3.42Å; I100-E109 VanDerWaalsContact O-CD 3.3Å; I100-E109 WeakPolarHBondContact O-CG 3.46Å; E109-S112 WeakPolarHBondContact OE2-CB 3.27Å; E109-S112 PolarHBondContact OE2-OG 3.15Å; E109-C116 VanDerWaalsContact CB-SG 3.58Å; E109-C116 VanDerWaalsContact CG-SG 3.59Å
110	Y	94	Very high	94.2	Very high	87 Å²	87	50.4 Å²	50.4	34%	0.341	32%	0.317	S	S	.	.	S	Bend	trans	-81.1	-18.3	-172.4	68.5	-94	0	0	0	115.2	K25 G70 V96 N97 G107 D108	K25-Y110 HydrophobicContact CD-CD1 3.72Å; K25-Y110 HydrophobicContact CD-CD2 3.82Å; K25-Y110 HydrophobicContact CD-CE1 3.93Å; K25-Y110 HydrophobicContact CD-CE2 4.03Å; K25-Y110 HydrophobicContact CD-CG 3.68Å; K25-Y110 VanDerWaalsContact NZ-CG 3.28Å; G70-Y110 WeakPolarHBondContact O-CE1 3.41Å; G70-Y110 PolarHBondContact O-OH 2.97Å; G70-Y110 VanDerWaalsContact O-OH 3.08Å; V96-Y110 HydrophobicContact CG1-CE1 3.74Å; N97-Y110 VanDerWaalsContact ND2-CE1 3.28Å; N97-Y110 WeakPolarHBondContact ND2-CE1 3.43Å; N97-Y110 PolarHBondContact ND2-OH 3.2Å; N97-Y110 PolarHBondContact OD1-N 3.4Å; G107-Y110 WeakPolarHBondContact O-CD1 3.28Å; D108-Y110 WeakPolarHBondContact O-CD1 3.46Å; D108-Y110 PolarHBondContact O-N 2.94Å
111	G	92.3	Very high	94	Very high	56 Å²	56	47.2 Å²	47.2	58%	0.577	31%	0.308	S	S	*	.	S	Bend	trans	-119.3	-7.3	-178.1	0	0	0	0	0	114	N97	N97-G111 VanDerWaalsContact OD1-CA 3.28Å; N97-G111 WeakPolarHBondContact OD1-CA 3.35Å; N97-G111 PolarHBondContact OD1-N 3.18Å
112	S	91	Very high	94	Very high	36 Å²	36	51.2 Å²	51.2	25%	0.252	32%	0.318	S	S	.	.	S	Bend	trans	-80.1	-176	173.9	93.4	0	0	0	0	112.1	N97 E109 T114	N97-S112 PolarHBondContact OD1-N 2.68Å; E109-S112 WeakPolarHBondContact OE2-CB 3.27Å; E109-S112 PolarHBondContact OE2-OG 3.15Å; S112-T114 PolarHBondContact OG-N 3.25Å; S112-T114 VanDerWaalsContact OG-N 3.08Å
113	S	92.7	Very high	93.9	Very high	122 Å²	122	50.4 Å²	50.4	85%	0.853	31%	0.314	S	S	*	.	S	Bend	trans	-101.3	2.5	173.1	66.6	0	0	0	0	113.7
114	T	93.5	Very high	93.8	Very high	48 Å²	48	50.3 Å²	50.3	29%	0.294	31%	0.313	S	S	.	.			trans	-75.9	132.6	179.2	-63.9	0	0	0	0	110.1	S99 S112 C116	S99-T114 WeakPolarHBondContact CB-OG1 3.49Å; S99-T114 PolarHBondContact O-OG1 2.77Å; S112-T114 PolarHBondContact OG-N 3.25Å; S112-T114 VanDerWaalsContact OG-N 3.08Å; T114-C116 PolarHBondContact O-N 3.22Å
115	N	94.8	Very high	93.8	Very high	139 Å²	139	51.9 Å²	51.9	74%	0.743	33%	0.327	S	S	*	.			trans	-89.8	98	173.3	173.8	93.8	0	0	0	108.8	P117	N115-P117 WeakPolarHBondContact O-CD 3.39Å
116	C	93.7	Very high	93.8	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.155	33%	0.334	C	S	.	.			trans	-94.3	93.8	174	-60.8	0	0	0	0	110.7	C101 E109 T114	C101-C116 HydrophobicContact CB-CB 3.77Å; C101-C116 WeakPolarHBondContact CB-SG 3.3Å; C101-C116 WeakPolarHBondContact SG-CA 3.4Å; C101-C116 WeakPolarHBondContact SG-CB 3.49Å; C101-C116 CovalentContact SG-SG 2.03Å; C101-C116 PolarHBondContact SG-SG 2.89Å; E109-C116 VanDerWaalsContact CB-SG 3.58Å; E109-C116 VanDerWaalsContact CG-SG 3.59Å; T114-C116 PolarHBondContact O-N 3.22Å
117	P	93.5	Very high	93.7	Very high	92 Å²	92	53.2 Å²	53.2	60%	0.597	33%	0.334	S	S	*	.			trans	-73.6	140.2	174	32.8	-34.7	0	0	0	109.9	N115 T119	N115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-T119 PolarHBondContact O-N 2.8Å
118	S	93.4	Very high	93.6	Very high	64 Å²	64	59 Å²	59	45%	0.448	35%	0.351	S	S	.	.			trans	-61.1	124.8	-178.8	-179.7	0	0	0	0	112.6	C104 C120	C104-S118 CarbonylContact O-C 3.53Å; C104-S118 WeakPolarHBondContact O-CA 3.25Å; C104-S118 WeakPolarHBondContact O-CB 3.47Å; C104-S118 PolarHBondContact O-OG 3.4Å; S118-C120 PolarHBondContact OG-N 3.45Å
119	T	94.3	Very high	93.6	Very high	67 Å²	67	64.9 Å²	64.9	41%	0.411	38%	0.378	S	S	.	.			trans	-98.4	-11.5	175	57.9	0	0	0	0	112.7	C104 P117 G121 F122 L123	C104-T119 WeakPolarHBondContact CB-OG1 3.22Å; C104-T119 PolarHBondContact O-N 3.21Å; P117-T119 PolarHBondContact O-N 2.8Å; T119-G121 PolarHBondContact O-N 2.88Å; T119-G121 VanDerWaalsContact O-N 3.08Å; T119-F122 WeakPolarHBondContact O-CB 3.5Å; T119-F122 PolarHBondContact O-N 3.48Å; T119-L123 PolarHBondContact O-N 3.28Å
120	C	94.6	Very high	93.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-50.2	-41.6	-174.5	-59.1	0	0	0	0	113.2	M84 Q85 C104 D105 S118 F122 L123 A124	M84-C120 HydrophobicContact CB-CB 4.37Å; Q85-C120 HydrophobicContact CB-CB 4.35Å; C104-C120 HydrophobicContact CB-CB 3.98Å; C104-C120 WeakPolarHBondContact CB-SG 3.32Å; C104-C120 PolarHBondContact O-N 3.01Å; C104-C120 VanDerWaalsContact O-N 3.12Å; C104-C120 PolarHBondContact O-SG 3.11Å; C104-C120 VanDerWaalsContact SG-CA 3.55Å; C104-C120 WeakPolarHBondContact SG-CB 3.31Å; C104-C120 CovalentContact SG-SG 2.05Å; C104-C120 PolarHBondContact SG-SG 2.96Å; D105-C120 PolarHBondContact N-SG 3.06Å; D105-C120 VanDerWaalsContact N-SG 3.45Å; S118-C120 PolarHBondContact OG-N 3.45Å; C120-F122 VanDerWaalsContact C-N 3.31Å; C120-F122 PolarHBondContact O-N 2.95Å; C120-L123 PolarHBondContact O-N 2.78Å; C120-A124 WeakPolarHBondContact O-CB 3.4Å; C120-A124 PolarHBondContact O-N 2.67Å
121	G	93.3	Very high	93.4	Very high	30 Å²	30	64.3 Å²	64.3	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-32.4	179.8	0	0	0	0	0	114	T119 A125	T119-G121 PolarHBondContact O-N 2.88Å; T119-G121 VanDerWaalsContact O-N 3.08Å; G121-A125 PolarHBondContact O-N 3.33Å
122	F	93.6	Very high	93.5	Very high	145 Å²	145	65.4 Å²	65.4	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-76.7	-49.9	174.4	171.1	-100.6	0	0	0	111.2	T119 C120 A124 A125 S126	T119-F122 WeakPolarHBondContact O-CB 3.5Å; T119-F122 PolarHBondContact O-N 3.48Å; C120-F122 VanDerWaalsContact C-N 3.31Å; C120-F122 PolarHBondContact O-N 2.95Å; F122-A124 PolarHBondContact O-N 3.11Å; F122-A125 WeakPolarHBondContact O-CA 3.47Å; F122-A125 WeakPolarHBondContact O-CB 3.28Å; F122-A125 PolarHBondContact O-N 2.96Å; F122-S126 PolarHBondContact O-N 2.94Å; F122-S126 PolarHBondContact O-OG 2.88Å
123	L	93.6	Very high	93.7	Very high	54 Å²	54	68 Å²	68	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-57	-39.5	177.8	-63.5	174.7	0	0	0	111.6	Y86 C104 T119 C120 A125 S126 L127	Y86-L123 HydrophobicContact CD1-CB 3.93Å; Y86-L123 HydrophobicContact CD1-CD1 3.95Å; Y86-L123 HydrophobicContact CD2-CB 3.75Å; Y86-L123 HydrophobicContact CE1-CB 4Å; Y86-L123 HydrophobicContact CE1-CD1 3.85Å; Y86-L123 HydrophobicContact CE2-CB 3.81Å; Y86-L123 HydrophobicContact CG-CB 3.81Å; C104-L123 HydrophobicContact CB-CD1 3.73Å; T119-L123 PolarHBondContact O-N 3.28Å; C120-L123 PolarHBondContact O-N 2.78Å; L123-A125 VanDerWaalsContact C-N 3.32Å; L123-A125 PolarHBondContact O-N 3.47Å; L123-S126 PolarHBondContact O-N 3.46Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 2.62Å
124	A	92.9	Very high	93.7	Very high	2 Å²	2	64 Å²	64	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-70.3	-22.9	174.6	0	0	0	0	0	114.6	Q85 Y86 C120 F122 R128	Q85-A124 HydrophobicContact CB-CB 4.18Å; Q85-A124 WeakPolarHBondContact O-CB 3.25Å; Y86-A124 HydrophobicContact CD2-CB 4.32Å; C120-A124 WeakPolarHBondContact O-CB 3.4Å; C120-A124 PolarHBondContact O-N 2.67Å; F122-A124 PolarHBondContact O-N 3.11Å; A124-R128 VanDerWaalsContact O-CD 3.22Å; A124-R128 WeakPolarHBondContact O-CD 3.41Å; A124-R128 WeakPolarHBondContact O-CG 3.35Å; A124-R128 VanDerWaalsContact O-CZ 3.3Å; A124-R128 PolarHBondContact O-NE 2.94Å; A124-R128 PolarHBondContact O-NH1 3.28Å
125	A	94.7	Very high	93.7	Very high	49 Å²	49	65 Å²	65	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-75.7	-48.5	170.3	0	0	0	0	0	109.9	G121 F122 L123 L127 R128 E129	G121-A125 PolarHBondContact O-N 3.33Å; F122-A125 WeakPolarHBondContact O-CA 3.47Å; F122-A125 WeakPolarHBondContact O-CB 3.28Å; F122-A125 PolarHBondContact O-N 2.96Å; L123-A125 VanDerWaalsContact C-N 3.32Å; L123-A125 PolarHBondContact O-N 3.47Å; A125-L127 PolarHBondContact O-N 3.29Å; A125-R128 PolarHBondContact O-N 2.92Å; A125-E129 WeakPolarHBondContact O-CB 3.29Å; A125-E129 PolarHBondContact O-N 3.47Å
126	S	94.2	Very high	93.8	Very high	44 Å²	44	62.2 Å²	62.2	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-41.6	178	-57.7	0	0	0	0	113	F122 L123 E129 A130	F122-S126 PolarHBondContact O-N 2.94Å; F122-S126 PolarHBondContact O-OG 2.88Å; L123-S126 PolarHBondContact O-N 3.46Å; S126-E129 PolarHBondContact O-N 2.88Å; S126-A130 WeakPolarHBondContact O-CB 3.03Å; S126-A130 PolarHBondContact O-N 3.27Å
127	L	92	Very high	93.9	Very high	31 Å²	31	64 Å²	64	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-62.1	-44.2	175.1	-176.6	69.4	0	0	0	111.7	Y86 L123 A125 E129 A130 Q131 L450	Y86-L127 HydrophobicContact CD2-CD2 4.2Å; Y86-L127 HydrophobicContact CE2-CB 4.12Å; Y86-L127 HydrophobicContact CE2-CD2 3.96Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 2.62Å; A125-L127 PolarHBondContact O-N 3.29Å; L127-E129 VanDerWaalsContact C-N 3.3Å; L127-E129 PolarHBondContact O-N 2.99Å; L127-A130 PolarHBondContact O-N 3.12Å; L127-Q131 VanDerWaalsContact O-CB 3.31Å; L127-Q131 WeakPolarHBondContact O-CB 3.46Å; L127-Q131 WeakPolarHBondContact O-CG 3.47Å; L127-Q131 PolarHBondContact O-N 2.97Å; L127-L450 WeakPolarHBondContact CD1-O 3.41Å
128	R	92.4	Very high	94	Very high	138 Å²	138	59.7 Å²	59.7	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-66.1	-33.6	176.9	-69.6	170.7	-165.8	119	8.3	112.1	Q85 A124 A125 S132	Q85-R128 PolarHBondContact O-NH2 3.31Å; A124-R128 VanDerWaalsContact O-CD 3.22Å; A124-R128 WeakPolarHBondContact O-CD 3.41Å; A124-R128 WeakPolarHBondContact O-CG 3.35Å; A124-R128 VanDerWaalsContact O-CZ 3.3Å; A124-R128 PolarHBondContact O-NE 2.94Å; A124-R128 PolarHBondContact O-NH1 3.28Å; A125-R128 PolarHBondContact O-N 2.92Å; R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.32Å
129	E	95.3	Very high	94.2	Very high	124 Å²	124	60.4 Å²	60.4	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-68.6	-48.6	175	-175.4	165.5	-152	0	0	111.4	A125 S126 L127 S132 I133	A125-E129 WeakPolarHBondContact O-CB 3.29Å; A125-E129 PolarHBondContact O-N 3.47Å; S126-E129 PolarHBondContact O-N 2.88Å; L127-E129 VanDerWaalsContact C-N 3.3Å; L127-E129 PolarHBondContact O-N 2.99Å; E129-S132 PolarHBondContact O-N 2.8Å; E129-I133 HydrophobicContact CG-CD1 3.94Å; E129-I133 VanDerWaalsContact O-CG1 3.3Å; E129-I133 WeakPolarHBondContact O-CG1 3.37Å; E129-I133 PolarHBondContact O-N 3.43Å
130	A	93.4	Very high	94.4	Very high	37 Å²	37	61.3 Å²	61.3	31%	0.306	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-50.7	174.9	0	0	0	0	0	112	S126 L127 S132 I133 K134	S126-A130 WeakPolarHBondContact O-CB 3.03Å; S126-A130 PolarHBondContact O-N 3.27Å; L127-A130 PolarHBondContact O-N 3.12Å; A130-S132 VanDerWaalsContact C-N 3.33Å; A130-S132 PolarHBondContact O-N 3.11Å; A130-I133 PolarHBondContact O-N 3.42Å; A130-K134 WeakPolarHBondContact O-CB 3.4Å; A130-K134 PolarHBondContact O-N 3.34Å
131	Q	92.4	Very high	94.5	Very high	50 Å²	50	61.3 Å²	61.3	23%	0.234	32%	0.319	C	S	.	.	H	α-helix	trans	-56.5	-43	173.8	-72.7	173	-4.6	0	0	112.5	L127 R135 F443 P448 L450	L127-Q131 VanDerWaalsContact O-CB 3.31Å; L127-Q131 WeakPolarHBondContact O-CB 3.46Å; L127-Q131 WeakPolarHBondContact O-CG 3.47Å; L127-Q131 PolarHBondContact O-N 2.97Å; Q131-R135 VanDerWaalsContact O-CB 3.28Å; Q131-R135 WeakPolarHBondContact O-CB 3.28Å; Q131-R135 PolarHBondContact O-N 2.82Å; Q131-F443 HydrophobicContact CB-CZ 4.31Å; Q131-P448 PolarHBondContact NE2-O 2.86Å; Q131-L450 HydrophobicContact CG-CB 4.3Å
132	S	94.3	Very high	94.8	Very high	78 Å²	78	61 Å²	61	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-67.5	-40.9	178.5	-173.7	0	0	0	0	112.3	R128 E129 A130 N136	R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.32Å; E129-S132 PolarHBondContact O-N 2.8Å; A130-S132 VanDerWaalsContact C-N 3.33Å; A130-S132 PolarHBondContact O-N 3.11Å; S132-N136 WeakPolarHBondContact O-CB 3.13Å; S132-N136 PolarHBondContact O-N 2.9Å
133	I	94.7	Very high	95	Very high	90 Å²	90	59.3 Å²	59.3	46%	0.462	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-50.1	175.7	-69.8	165.2	0	0	0	109.3	E129 A130 R135 N136 Q137	E129-I133 HydrophobicContact CG-CD1 3.94Å; E129-I133 VanDerWaalsContact O-CG1 3.3Å; E129-I133 WeakPolarHBondContact O-CG1 3.37Å; E129-I133 PolarHBondContact O-N 3.43Å; A130-I133 PolarHBondContact O-N 3.42Å; I133-R135 PolarHBondContact O-N 3.26Å; I133-N136 PolarHBondContact O-N 2.81Å; I133-Q137 WeakPolarHBondContact O-CG 3.42Å; I133-Q137 PolarHBondContact O-N 2.89Å
134	K	93.4	Very high	95.2	Very high	39 Å²	39	59.6 Å²	59.6	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-37.9	-179	-174.1	52.1	173	174.6	0	112.4	A130 Q137 I138 C408 L450	A130-K134 WeakPolarHBondContact O-CB 3.4Å; A130-K134 PolarHBondContact O-N 3.34Å; K134-Q137 PolarHBondContact O-N 3.44Å; K134-I138 HydrophobicContact CD-CD1 4.31Å; K134-I138 HydrophobicContact CD-CG1 4.48Å; K134-I138 HydrophobicContact CG-CD1 4.12Å; K134-I138 WeakPolarHBondContact O-CD1 3.48Å; K134-I138 VanDerWaalsContact O-CG1 3.3Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.06Å; K134-I138 VanDerWaalsContact O-N 3.08Å; K134-C408 PolarHBondContact NZ-O 2.6Å; K134-L450 HydrophobicContact CG-CD1 3.94Å; K134-L450 HydrophobicContact CG-CD2 4.24Å
135	R	94.3	Very high	95.5	Very high	70 Å²	70	59.8 Å²	59.8	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-46.9	172.8	-175.4	176.4	175.4	100.9	13.4	111.7	Q131 I133 Q137 I138 E139 D440 F443	Q131-R135 VanDerWaalsContact O-CB 3.28Å; Q131-R135 WeakPolarHBondContact O-CB 3.28Å; Q131-R135 PolarHBondContact O-N 2.82Å; I133-R135 PolarHBondContact O-N 3.26Å; R135-Q137 VanDerWaalsContact C-N 3.35Å; R135-Q137 PolarHBondContact O-N 3.11Å; R135-I138 PolarHBondContact O-N 3.46Å; R135-I138 VanDerWaalsContact O-N 3.12Å; R135-E139 HydrophobicContact CG-CG 4.34Å; R135-E139 IonicContact CZ-OE1 3.18Å; R135-E139 IonicContact NE-OE1 2.78Å; R135-E139 PolarHBondContact NE-OE1 3.09Å; R135-E139 IonicContact NH2-OE1 3.94Å; R135-E139 PolarHBondContact NH2-OE1 3.31Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.79Å; R135-D440 IonicContact CZ-OD1 2.75Å; R135-D440 IonicContact NH1-OD1 3.27Å; R135-D440 PolarHBondContact NH1-OD1 3.06Å; R135-D440 IonicContact NH2-OD1 3.23Å; R135-D440 PolarHBondContact NH2-OD1 3.44Å; R135-D440 IonicContact NH2-OD2 3.69Å; R135-F443 HydrophobicContact CB-CD2 4.06Å; R135-F443 HydrophobicContact CB-CE2 3.88Å; R135-F443 HydrophobicContact CG-CD2 4.33Å; R135-F443 HydrophobicContact CG-CE2 4.49Å
136	N	96.1	Very high	95.6	Very high	80 Å²	80	62.7 Å²	62.7	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-42	179	-168.7	2.8	0	0	0	111.7	S132 I133 I138 E139 Q140	S132-N136 WeakPolarHBondContact O-CB 3.13Å; S132-N136 PolarHBondContact O-N 2.9Å; I133-N136 PolarHBondContact O-N 2.81Å; N136-I138 VanDerWaalsContact C-N 3.32Å; N136-I138 PolarHBondContact O-N 2.97Å; N136-E139 PolarHBondContact O-N 3.18Å; N136-Q140 WeakPolarHBondContact O-CB 3.37Å; N136-Q140 WeakPolarHBondContact O-CG 3.27Å; N136-Q140 PolarHBondContact O-N 3.27Å; N136-Q140 PolarHBondContact OD1-NE2 2.89Å
137	Q	95.7	Very high	95.8	Very high	60 Å²	60	65.8 Å²	65.8	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-39.2	172.9	-70.5	178.6	-25.6	0	0	112.9	I133 K134 R135 G141 G409 D410	I133-Q137 WeakPolarHBondContact O-CG 3.42Å; I133-Q137 PolarHBondContact O-N 2.89Å; K134-Q137 PolarHBondContact O-N 3.44Å; R135-Q137 VanDerWaalsContact C-N 3.35Å; R135-Q137 PolarHBondContact O-N 3.11Å; Q137-G141 PolarHBondContact O-N 3.04Å; Q137-G409 CarbonylContact O-C 3.56Å; Q137-D410 PolarHBondContact O-N 2.9Å
138	I	95.6	Very high	96.1	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-46.5	177.5	-69.5	163.4	0	0	0	110.9	K134 R135 N136 Q140 G141 H142 P439 L442 L446	K134-I138 HydrophobicContact CD-CD1 4.31Å; K134-I138 HydrophobicContact CD-CG1 4.48Å; K134-I138 HydrophobicContact CG-CD1 4.12Å; K134-I138 WeakPolarHBondContact O-CD1 3.48Å; K134-I138 VanDerWaalsContact O-CG1 3.3Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.06Å; K134-I138 VanDerWaalsContact O-N 3.08Å; R135-I138 PolarHBondContact O-N 3.46Å; R135-I138 VanDerWaalsContact O-N 3.12Å; N136-I138 VanDerWaalsContact C-N 3.32Å; N136-I138 PolarHBondContact O-N 2.97Å; I138-Q140 PolarHBondContact O-N 3.06Å; I138-G141 PolarHBondContact O-N 3.08Å; I138-H142 VanDerWaalsContact O-CB 3.28Å; I138-H142 WeakPolarHBondContact O-CB 3.21Å; I138-H142 PolarHBondContact O-N 2.92Å; I138-P439 HydrophobicContact CG2-CB 3.96Å; I138-P439 HydrophobicContact CG2-CG 4.44Å; I138-L442 HydrophobicContact CD1-CD2 4.41Å; I138-L442 HydrophobicContact CG1-CD2 4.32Å; I138-L442 HydrophobicContact CG2-CD2 3.96Å; I138-L446 HydrophobicContact CD1-CD1 3.48Å; I138-L446 VanDerWaalsContact CD1-CD1 3.48Å
139	E	97.5	Very high	96.3	Very high	78 Å²	78	59 Å²	59	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.8	-71.8	176.8	165.4	0	0	111.8	R135 N136 K143 P439	R135-E139 HydrophobicContact CG-CG 4.34Å; R135-E139 IonicContact CZ-OE1 3.18Å; R135-E139 IonicContact NE-OE1 2.78Å; R135-E139 PolarHBondContact NE-OE1 3.09Å; R135-E139 IonicContact NH2-OE1 3.94Å; R135-E139 PolarHBondContact NH2-OE1 3.31Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.79Å; N136-E139 PolarHBondContact O-N 3.18Å; E139-K143 WeakPolarHBondContact O-CB 3.12Å; E139-K143 PolarHBondContact O-N 2.99Å; E139-K143 VanDerWaalsContact O-N 3.11Å; E139-P439 HydrophobicContact CG-CB 3.88Å; E139-P439 HydrophobicContact CG-CG 4.27Å
140	Q	98.1	Very high	96.4	Very high	87 Å²	87	58 Å²	58	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-68.5	-46.4	173.9	-71.9	-173.7	50.6	0	0	112.4	N136 I138 H142 K143 I144 D410	N136-Q140 WeakPolarHBondContact O-CB 3.37Å; N136-Q140 WeakPolarHBondContact O-CG 3.27Å; N136-Q140 PolarHBondContact O-N 3.27Å; N136-Q140 PolarHBondContact OD1-NE2 2.89Å; I138-Q140 PolarHBondContact O-N 3.06Å; Q140-H142 PolarHBondContact O-N 2.82Å; Q140-K143 WeakPolarHBondContact O-CB 3.31Å; Q140-K143 PolarHBondContact O-N 2.85Å; Q140-I144 WeakPolarHBondContact O-CG1 3.48Å; Q140-I144 PolarHBondContact O-N 3.04Å; Q140-D410 HydrophobicContact CB-CB 3.98Å
141	G	98.1	Very high	96.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-43.2	177.5	0	0	0	0	0	112.8	Q137 I138 K143 I144 F145 G409 C435	Q137-G141 PolarHBondContact O-N 3.04Å; I138-G141 PolarHBondContact O-N 3.08Å; G141-K143 PolarHBondContact O-N 3.12Å; G141-I144 PolarHBondContact O-N 3.42Å; G141-F145 WeakPolarHBondContact O-CB 3.39Å; G141-F145 PolarHBondContact O-N 3.2Å; G141-G409 VanDerWaalsContact CA-O 3.25Å; G141-G409 WeakPolarHBondContact CA-O 3.5Å; G141-C435 VanDerWaalsContact C-CB 3.45Å
142	H	98.1	Very high	96.6	Very high	22 Å²	22	57.9 Å²	57.9	10%	0.102	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-40	175.4	-174	74.2	0	0	0	112.1	I138 Q140 F145 Q146 C435 E437 P439	I138-H142 VanDerWaalsContact O-CB 3.28Å; I138-H142 WeakPolarHBondContact O-CB 3.21Å; I138-H142 PolarHBondContact O-N 2.92Å; Q140-H142 PolarHBondContact O-N 2.82Å; H142-F145 WeakPolarHBondContact O-CB 3.32Å; H142-F145 PolarHBondContact O-N 3.47Å; H142-Q146 PolarHBondContact CD2-NE2 2.88Å; H142-Q146 PolarHBondContact NE2-NE2 3Å; H142-Q146 WeakPolarHBondContact O-CG 3.12Å; H142-Q146 PolarHBondContact O-N 3.31Å; H142-C435 HydrophobicContact CB-CB 4.2Å; H142-C435 PolarHBondContact ND1-O 3.1Å; H142-E437 PolarHBondContact CE1-O 3.46Å; H142-E437 PolarHBondContact ND1-O 3.14Å; H142-P439 HydrophobicContact CB-CG 3.83Å
143	K	98.4	Very high	96.6	Very high	111 Å²	111	58.8 Å²	58.8	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-46.3	173.7	-172	-159.8	164.5	-147.3	0	111.5	E139 Q140 G141 F145 Q146 E147	E139-K143 WeakPolarHBondContact O-CB 3.12Å; E139-K143 PolarHBondContact O-N 2.99Å; E139-K143 VanDerWaalsContact O-N 3.11Å; Q140-K143 WeakPolarHBondContact O-CB 3.31Å; Q140-K143 PolarHBondContact O-N 2.85Å; G141-K143 PolarHBondContact O-N 3.12Å; K143-F145 VanDerWaalsContact C-N 3.33Å; K143-F145 PolarHBondContact O-N 3.46Å; K143-Q146 PolarHBondContact O-N 3.4Å; K143-E147 WeakPolarHBondContact CE-OE1 3.5Å; K143-E147 IonicContact NZ-OE1 2.62Å; K143-E147 PolarHBondContact NZ-OE1 3.32Å; K143-E147 IonicContact NZ-OE2 2.65Å; K143-E147 WeakPolarHBondContact O-CG 3.48Å; K143-E147 PolarHBondContact O-N 3.31Å
144	I	98.2	Very high	96.6	Very high	60 Å²	60	58.3 Å²	58.3	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-39.1	178.1	-65.8	162.6	0	0	0	110.7	Q140 G141 Y148 M325 D410 P432	Q140-I144 WeakPolarHBondContact O-CG1 3.48Å; Q140-I144 PolarHBondContact O-N 3.04Å; G141-I144 PolarHBondContact O-N 3.42Å; I144-Y148 WeakPolarHBondContact O-CB 3.32Å; I144-Y148 PolarHBondContact O-N 2.97Å; I144-M325 HydrophobicContact CG2-CE 3.95Å; I144-D410 VanDerWaalsContact CD1-O 3.27Å; I144-D410 WeakPolarHBondContact CD1-O 3.45Å; I144-P432 HydrophobicContact CB-CB 3.95Å; I144-P432 HydrophobicContact CB-CG 4.26Å; I144-P432 HydrophobicContact CD1-CG 4.3Å; I144-P432 HydrophobicContact CG2-CB 3.71Å; I144-P432 HydrophobicContact CG2-CG 3.89Å
145	F	98.2	Very high	96.6	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.022	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-52.1	172	-178.4	-83.6	0	0	0	111.6	G141 H142 K143 E147 Y148 V149 P432 A433 C435	G141-F145 WeakPolarHBondContact O-CB 3.39Å; G141-F145 PolarHBondContact O-N 3.2Å; H142-F145 WeakPolarHBondContact O-CB 3.32Å; H142-F145 PolarHBondContact O-N 3.47Å; K143-F145 VanDerWaalsContact C-N 3.33Å; K143-F145 PolarHBondContact O-N 3.46Å; F145-E147 PolarHBondContact O-N 3.15Å; F145-Y148 PolarHBondContact O-N 3.03Å; F145-V149 HydrophobicContact CD1-CG2 4.08Å; F145-V149 HydrophobicContact CE1-CG2 3.7Å; F145-V149 HydrophobicContact CE2-CG2 4.37Å; F145-V149 HydrophobicContact CZ-CG2 3.86Å; F145-V149 WeakPolarHBondContact O-CB 3.35Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.27Å; F145-P432 WeakPolarHBondContact CD2-O 3.48Å; F145-A433 WeakPolarHBondContact CE2-O 3.16Å; F145-C435 HydrophobicContact CB-CB 4.47Å
146	Q	98.1	Very high	96.3	Very high	110 Å²	110	58.2 Å²	58.2	51%	0.514	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-46	179	-72.8	-173.6	-1.7	0	0	112.3	H142 K143 V149 Q150	H142-Q146 PolarHBondContact CD2-NE2 2.88Å; H142-Q146 PolarHBondContact NE2-NE2 3Å; H142-Q146 WeakPolarHBondContact O-CG 3.12Å; H142-Q146 PolarHBondContact O-N 3.31Å; K143-Q146 PolarHBondContact O-N 3.4Å; Q146-V149 PolarHBondContact O-N 3.19Å; Q146-Q150 WeakPolarHBondContact O-CB 3.12Å; Q146-Q150 PolarHBondContact O-N 2.91Å
147	E	97.9	Very high	96.1	Very high	109 Å²	109	58.7 Å²	58.7	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-40.9	178.6	-73.1	-179.7	164.2	0	0	111.5	K143 F145 N151	K143-E147 WeakPolarHBondContact CE-OE1 3.5Å; K143-E147 IonicContact NZ-OE1 2.62Å; K143-E147 PolarHBondContact NZ-OE1 3.32Å; K143-E147 IonicContact NZ-OE2 2.65Å; K143-E147 WeakPolarHBondContact O-CG 3.48Å; K143-E147 PolarHBondContact O-N 3.31Å; F145-E147 PolarHBondContact O-N 3.15Å; E147-N151 WeakPolarHBondContact O-CB 3.33Å; E147-N151 PolarHBondContact O-N 3.46Å
148	Y	97.5	Very high	95.9	Very high	25 Å²	25	61.8 Å²	61.8	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-48.7	174.8	177.8	-94.5	0	0	0	112.6	I144 F145 Q150 N151 L152 R324 M325 E328	I144-Y148 WeakPolarHBondContact O-CB 3.32Å; I144-Y148 PolarHBondContact O-N 2.97Å; F145-Y148 PolarHBondContact O-N 3.03Å; Y148-Q150 PolarHBondContact O-N 3.05Å; Y148-N151 WeakPolarHBondContact O-CB 3.49Å; Y148-N151 PolarHBondContact O-N 3.35Å; Y148-N151 VanDerWaalsContact O-N 3.17Å; Y148-L152 HydrophobicContact CE1-CB 4.38Å; Y148-L152 HydrophobicContact CE1-CD2 4.04Å; Y148-L152 WeakPolarHBondContact O-CB 3.28Å; Y148-L152 PolarHBondContact O-N 3.41Å; Y148-R324 HydrophobicContact CE1-CB 4.38Å; Y148-R324 VanDerWaalsContact OH-C 3.27Å; Y148-R324 WeakPolarHBondContact OH-CB 3.41Å; Y148-R324 WeakPolarHBondContact OH-CG 3.5Å; Y148-M325 HydrophobicContact CD1-CB 4.07Å; Y148-M325 HydrophobicContact CD1-CE 4.15Å; Y148-M325 HydrophobicContact CD2-CB 4.09Å; Y148-M325 HydrophobicContact CD2-CE 4.2Å; Y148-M325 HydrophobicContact CD2-CG 4.14Å; Y148-M325 HydrophobicContact CE1-CB 3.95Å; Y148-M325 HydrophobicContact CE2-CB 3.96Å; Y148-M325 HydrophobicContact CE2-CG 4.31Å; Y148-M325 HydrophobicContact CG-CB 4.17Å; Y148-M325 HydrophobicContact CG-CE 3.68Å; Y148-M325 HydrophobicContact CG-CG 4.41Å; Y148-M325 PolarHBondContact OH-N 3.26Å; Y148-E328 WeakPolarHBondContact CE2-OE2 3.39Å; Y148-E328 PolarHBondContact OH-OE1 3.05Å
149	V	96.9	Very high	95.4	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-39.8	-178.5	166.3	0	0	0	0	111.3	F145 Q146 L152 K153 E320	F145-V149 HydrophobicContact CD1-CG2 4.08Å; F145-V149 HydrophobicContact CE1-CG2 3.7Å; F145-V149 HydrophobicContact CE2-CG2 4.37Å; F145-V149 HydrophobicContact CZ-CG2 3.86Å; F145-V149 WeakPolarHBondContact O-CB 3.35Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.27Å; Q146-V149 PolarHBondContact O-N 3.19Å; V149-L152 PolarHBondContact O-N 3.12Å; V149-K153 HydrophobicContact CG1-CD 3.9Å; V149-K153 VanDerWaalsContact CG1-CE 3.4Å; V149-K153 VanDerWaalsContact CG1-NZ 3.26Å; V149-K153 WeakPolarHBondContact O-CB 3.44Å; V149-K153 WeakPolarHBondContact O-CD 3.46Å; V149-K153 VanDerWaalsContact O-CG 3.26Å; V149-K153 WeakPolarHBondContact O-CG 3.3Å; V149-K153 PolarHBondContact O-N 3.08Å; V149-E320 HydrophobicContact CG1-CB 3.65Å; V149-E320 HydrophobicContact CG1-CG 4.4Å; V149-E320 WeakPolarHBondContact CG1-OE2 3.03Å; V149-E320 HydrophobicContact CG2-CB 4.09Å
150	Q	97.3	Very high	94.4	Very high	103 Å²	103	66.5 Å²	66.5	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-43.8	172.3	174.8	56	29.2	0	0	111.4	Q146 Y148 K153 E154	Q146-Q150 WeakPolarHBondContact O-CB 3.12Å; Q146-Q150 PolarHBondContact O-N 2.91Å; Y148-Q150 PolarHBondContact O-N 3.05Å; Q150-K153 PolarHBondContact O-N 3.17Å; Q150-E154 PolarHBondContact NE2-OE1 2.89Å; Q150-E154 PolarHBondContact O-N 3.44Å
151	N	95.8	Very high	93	Very high	81 Å²	81	64.3 Å²	64.3	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-42.3	175.5	-176.8	-77.6	0	0	0	112.3	E147 Y148 E154 R155	E147-N151 WeakPolarHBondContact O-CB 3.33Å; E147-N151 PolarHBondContact O-N 3.46Å; Y148-N151 WeakPolarHBondContact O-CB 3.49Å; Y148-N151 PolarHBondContact O-N 3.35Å; Y148-N151 VanDerWaalsContact O-N 3.17Å; N151-E154 WeakPolarHBondContact O-CB 3.18Å; N151-E154 PolarHBondContact O-N 3.45Å; N151-R155 WeakPolarHBondContact O-CG 3.4Å; N151-R155 PolarHBondContact O-N 3.06Å; N151-R155 PolarHBondContact OD1-NE 2.92Å
152	L	94.2	Very high	91.2	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-46.4	177.8	-179	61.5	0	0	0	111.5	Y148 V149 E154 R155 K156 F161 E321 R324	Y148-L152 HydrophobicContact CE1-CB 4.38Å; Y148-L152 HydrophobicContact CE1-CD2 4.04Å; Y148-L152 WeakPolarHBondContact O-CB 3.28Å; Y148-L152 PolarHBondContact O-N 3.41Å; V149-L152 PolarHBondContact O-N 3.12Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.92Å; L152-R155 PolarHBondContact O-N 2.85Å; L152-R155 VanDerWaalsContact O-N 3.14Å; L152-K156 HydrophobicContact CD1-CG 4.44Å; L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 3.48Å; L152-F161 HydrophobicContact CD1-CD2 4.1Å; L152-F161 HydrophobicContact CD1-CE2 3.99Å; L152-F161 HydrophobicContact CD1-CZ 4.46Å; L152-E321 HydrophobicContact CD2-CB 3.75Å; L152-R324 HydrophobicContact CD2-CB 4.5Å
153	K	94.3	Very high	89.5	Confident	96 Å²	96	73.7 Å²	73.7	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-54.7	-43.5	172.8	-73.7	162.8	178	167.4	0	111.1	V149 Q150 A157 E320	V149-K153 HydrophobicContact CG1-CD 3.9Å; V149-K153 VanDerWaalsContact CG1-CE 3.4Å; V149-K153 VanDerWaalsContact CG1-NZ 3.26Å; V149-K153 WeakPolarHBondContact O-CB 3.44Å; V149-K153 WeakPolarHBondContact O-CD 3.46Å; V149-K153 VanDerWaalsContact O-CG 3.26Å; V149-K153 WeakPolarHBondContact O-CG 3.3Å; V149-K153 PolarHBondContact O-N 3.08Å; Q150-K153 PolarHBondContact O-N 3.17Å; K153-A157 VanDerWaalsContact O-CB 3.3Å; K153-A157 WeakPolarHBondContact O-CB 3.47Å; K153-A157 PolarHBondContact O-N 3.49Å; K153-E320 WeakPolarHBondContact CE-OE1 3.14Å; K153-E320 IonicContact NZ-OE1 2.74Å; K153-E320 PolarHBondContact NZ-OE1 3.39Å; K153-E320 IonicContact NZ-OE2 2.7Å; K153-E320 PolarHBondContact NZ-OE2 2.92Å
154	E	94.7	Very high	87.4	Confident	81 Å²	81	76.2 Å²	76.2	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-68.3	-39.8	174.8	-80.6	-171.5	-134.9	0	0	114.3	Q150 N151 L152 A157 K158	Q150-E154 PolarHBondContact NE2-OE1 2.89Å; Q150-E154 PolarHBondContact O-N 3.44Å; N151-E154 WeakPolarHBondContact O-CB 3.18Å; N151-E154 PolarHBondContact O-N 3.45Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.92Å; E154-A157 PolarHBondContact O-N 3.34Å; E154-K158 WeakPolarHBondContact O-CB 2.93Å; E154-K158 VanDerWaalsContact O-CD 3.3Å; E154-K158 WeakPolarHBondContact O-CD 3.03Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 IonicContact OE2-NZ 2.59Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å
155	R	92.9	Very high	85.6	Confident	48 Å²	48	79.4 Å²	79.4	18%	0.181	40%	0.401	C	S	.	.	H	α-helix	trans	-61.9	-45.7	176.1	-79	-171.1	-79.6	153	-13.4	111.1	N151 L152 K158 G159 L160 E328	N151-R155 WeakPolarHBondContact O-CG 3.4Å; N151-R155 PolarHBondContact O-N 3.06Å; N151-R155 PolarHBondContact OD1-NE 2.92Å; L152-R155 PolarHBondContact O-N 2.85Å; L152-R155 VanDerWaalsContact O-N 3.14Å; R155-K158 PolarHBondContact O-N 3.38Å; R155-G159 PolarHBondContact O-N 3.08Å; R155-L160 PolarHBondContact O-N 2.76Å; R155-E328 IonicContact CZ-OE1 2.76Å; R155-E328 IonicContact CZ-OE2 2.67Å; R155-E328 IonicContact NH1-OE1 2.67Å; R155-E328 PolarHBondContact NH1-OE1 3.11Å; R155-E328 IonicContact NH1-OE2 2.76Å; R155-E328 PolarHBondContact NH1-OE2 2.68Å; R155-E328 IonicContact NH2-OE1 3.06Å; R155-E328 PolarHBondContact NH2-OE1 3.35Å; R155-E328 IonicContact NH2-OE2 3.15Å; R155-E328 PolarHBondContact NH2-OE2 2.73Å
156	K	89.9	Confident	83.9	Confident	59 Å²	59	81.9 Å²	81.9	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-46.4	175.3	-66.8	-161.4	179.7	-160.1	0	111.7	L152 K158 G159 F161 E163 E321	L152-K156 HydrophobicContact CD1-CG 4.44Å; L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 3.48Å; K156-K158 PolarHBondContact O-N 2.03Å; K156-G159 PolarHBondContact O-N 3Å; K156-F161 HydrophobicContact CD-CD1 4.5Å; K156-F161 HydrophobicContact CG-CB 3.89Å; K156-F161 HydrophobicContact CG-CD1 4.24Å; K156-F161 HydrophobicContact CG-CG 4.05Å; K156-E163 WeakPolarHBondContact CE-OE1 2.97Å; K156-E163 IonicContact NZ-OE1 3.04Å; K156-E163 PolarHBondContact NZ-OE1 2.78Å; K156-E321 WeakPolarHBondContact CE-OE2 3.06Å; K156-E321 IonicContact NZ-OE1 2.63Å; K156-E321 PolarHBondContact NZ-OE1 2.96Å; K156-E321 IonicContact NZ-OE2 3.37Å; K156-E321 PolarHBondContact NZ-OE2 2.94Å
157	A	91	Very high	82.1	Confident	89 Å²	89	81.7 Å²	81.7	74%	0.736	41%	0.409	S	S	*	.	H	α-helix	trans	-61.9	-27.7	177.3	0	0	0	0	0	114.1	K153 E154 G159	K153-A157 VanDerWaalsContact O-CB 3.3Å; K153-A157 WeakPolarHBondContact O-CB 3.47Å; K153-A157 PolarHBondContact O-N 3.49Å; E154-A157 PolarHBondContact O-N 3.34Å; A157-G159 VanDerWaalsContact C-N 3.35Å
158	K	91.8	Very high	80.3	Confident	125 Å²	125	79.6 Å²	79.6	54%	0.543	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	175.5	-67.7	162.3	-165.6	165.7	0	113.5	E154 R155 K156 L160	E154-K158 WeakPolarHBondContact O-CB 2.93Å; E154-K158 VanDerWaalsContact O-CD 3.3Å; E154-K158 WeakPolarHBondContact O-CD 3.03Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 IonicContact OE2-NZ 2.59Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å; R155-K158 PolarHBondContact O-N 3.38Å; K156-K158 PolarHBondContact O-N 2.03Å; K158-L160 HydrophobicContact CB-CD1 3.77Å; K158-L160 HydrophobicContact CB-CG 3.82Å; K158-L160 HydrophobicContact CD-CD1 4.05Å; K158-L160 PolarHBondContact O-N 2.76Å
159	G	85	Confident	78.9	Confident	57 Å²	57	82.9 Å²	82.9	59%	0.588	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	19.4	-173.6	0	0	0	0	0	113.8	R155 K156 A157 F161	R155-G159 PolarHBondContact O-N 3.08Å; K156-G159 PolarHBondContact O-N 3Å; A157-G159 VanDerWaalsContact C-N 3.35Å; G159-F161 PolarHBondContact O-N 2.84Å
160	L	75.1	Confident	77.4	Confident	122 Å²	122	84.9 Å²	84.9	64%	0.639	43%	0.429	S	S	*	.			trans	-86.3	9.8	-179.6	-65.2	171.9	0	0	0	112.7	R155 K158	R155-L160 PolarHBondContact O-N 2.76Å; K158-L160 HydrophobicContact CB-CD1 3.77Å; K158-L160 HydrophobicContact CB-CG 3.82Å; K158-L160 HydrophobicContact CD-CD1 4.05Å; K158-L160 PolarHBondContact O-N 2.76Å
161	F	69.1	Low	76	Confident	42 Å²	42	83.1 Å²	83.1	18%	0.184	42%	0.422	C	S	.	.			trans	-120	91.5	-172.8	-155.1	-95.1	0	0	0	110.2	L152 K156 G159 E163	L152-F161 HydrophobicContact CD1-CD2 4.1Å; L152-F161 HydrophobicContact CD1-CE2 3.99Å; L152-F161 HydrophobicContact CD1-CZ 4.46Å; K156-F161 HydrophobicContact CD-CD1 4.5Å; K156-F161 HydrophobicContact CG-CB 3.89Å; K156-F161 HydrophobicContact CG-CD1 4.24Å; K156-F161 HydrophobicContact CG-CG 4.05Å; G159-F161 PolarHBondContact O-N 2.84Å; F161-E163 VanDerWaalsContact C-N 3.28Å; F161-E163 HydrophobicContact CD1-CG 3.53Å; F161-E163 HydrophobicContact CE1-CG 3.87Å; F161-E163 PolarHBondContact O-N 3.38Å
162	N	61.3	Low	74.9	Confident	117 Å²	117	84.6 Å²	84.6	63%	0.626	43%	0.425	S	S	*	.			trans	-78.3	73.7	-177.1	-67.1	1.7	0	0	0	110.9	E164 K165	N162-E164 PolarHBondContact O-N 3.21Å; N162-K165 HydrophobicContact CB-CB 4.18Å; N162-K165 PolarHBondContact O-N 2.91Å
163	E	61.6	Low	73.7	Confident	102 Å²	102	89.1 Å²	89.1	48%	0.477	45%	0.448	S	S	.	.	H	α-helix	trans	-53	-35.8	174.3	-59.5	-173.7	153.3	0	0	111.5	K156 F161 K165 Q166 Y167	K156-E163 WeakPolarHBondContact CE-OE1 2.97Å; K156-E163 IonicContact NZ-OE1 3.04Å; K156-E163 PolarHBondContact NZ-OE1 2.78Å; F161-E163 VanDerWaalsContact C-N 3.28Å; F161-E163 HydrophobicContact CD1-CG 3.53Å; F161-E163 HydrophobicContact CE1-CG 3.87Å; F161-E163 PolarHBondContact O-N 3.38Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 3.06Å; E163-Q166 PolarHBondContact O-N 2.78Å; E163-Q166 VanDerWaalsContact O-N 3.11Å; E163-Y167 PolarHBondContact O-N 2.97Å
164	E	54.1	Low	72.4	Confident	163 Å²	163	85.9 Å²	85.9	76%	0.762	44%	0.439	S	S	*	.	H	α-helix	trans	-54.4	-39.5	173.8	-167.4	170.2	-133.5	0	0	112.9	N162 Y167 D168	N162-E164 PolarHBondContact O-N 3.21Å; E164-Y167 PolarHBondContact O-N 2.9Å; E164-D168 WeakPolarHBondContact O-CB 3.35Å; E164-D168 PolarHBondContact O-N 3.39Å
165	K	61.5	Low	71.4	Confident	127 Å²	127	87.4 Å²	87.4	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-66.9	-40.1	176.7	-177	177	-177	-78.7	0	111.7	N162 E163 D168 E169	N162-K165 HydrophobicContact CB-CB 4.18Å; N162-K165 PolarHBondContact O-N 2.91Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 3.06Å; K165-D168 PolarHBondContact O-N 2.67Å; K165-E169 VanDerWaalsContact CE-OE1 3.31Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 IonicContact NZ-OE1 3.87Å; K165-E169 PolarHBondContact NZ-OE1 3.34Å; K165-E169 IonicContact NZ-OE2 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.35Å; K165-E169 PolarHBondContact O-N 3.1Å
166	Q	61.6	Low	70.4	Confident	57 Å²	57	89.7 Å²	89.7	27%	0.266	46%	0.455	S	S	.	.	H	α-helix	trans	-69.4	-37.4	178.4	-169.6	171.7	37	0	0	111.1	E163 E169 T170 Y317	E163-Q166 PolarHBondContact O-N 2.78Å; E163-Q166 VanDerWaalsContact O-N 3.11Å; Q166-E169 PolarHBondContact O-N 3.34Å; Q166-T170 WeakPolarHBondContact O-CG2 3.37Å; Q166-T170 PolarHBondContact O-N 3.43Å; Q166-T170 PolarHBondContact O-OG1 3.12Å; Q166-Y317 PolarHBondContact NE2-OH 2.79Å; Q166-Y317 PolarHBondContact OE1-OH 2.85Å
167	Y	61.5	Low	69.4	Low	107 Å²	107	90.1 Å²	90.1	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-42	172.4	-173.6	-93.1	0	0	0	112	E163 E164 E169 T170 M171	E163-Y167 PolarHBondContact O-N 2.97Å; E164-Y167 PolarHBondContact O-N 2.9Å; Y167-E169 VanDerWaalsContact C-N 3.29Å; Y167-E169 PolarHBondContact O-N 3.15Å; Y167-T170 PolarHBondContact O-N 2.92Å; Y167-T170 PolarHBondContact O-OG1 2.78Å; Y167-T170 VanDerWaalsContact O-OG1 3.12Å; Y167-M171 HydrophobicContact CD1-CE 4.45Å; Y167-M171 HydrophobicContact CE1-CE 4.08Å; Y167-M171 HydrophobicContact CE1-SD 3.75Å; Y167-M171 WeakPolarHBondContact O-CB 3.37Å; Y167-M171 PolarHBondContact O-N 2.94Å
168	D	59.9	Low	68.3	Low	65 Å²	65	88.9 Å²	88.9	35%	0.348	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-37.4	175.5	-125.7	40.4	0	0	0	112.1	E164 K165 K172	E164-D168 WeakPolarHBondContact O-CB 3.35Å; E164-D168 PolarHBondContact O-N 3.39Å; K165-D168 PolarHBondContact O-N 2.67Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 WeakPolarHBondContact O-CD 3.49Å; D168-K172 WeakPolarHBondContact O-CE 3.48Å; D168-K172 WeakPolarHBondContact O-CG 3.41Å; D168-K172 PolarHBondContact O-N 3.46Å; D168-K172 VanDerWaalsContact O-N 3.13Å; D168-K172 WeakPolarHBondContact OD2-CE 3.44Å; D168-K172 IonicContact OD2-NZ 2.98Å; D168-K172 PolarHBondContact OD2-NZ 3.23Å
169	E	67.7	Low	67.3	Low	94 Å²	94	85.6 Å²	85.6	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-73.4	-42.3	177.8	-76.4	169.5	-173.2	0	0	112.5	K165 Q166 Y167 L173	K165-E169 VanDerWaalsContact CE-OE1 3.31Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 IonicContact NZ-OE1 3.87Å; K165-E169 PolarHBondContact NZ-OE1 3.34Å; K165-E169 IonicContact NZ-OE2 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.35Å; K165-E169 PolarHBondContact O-N 3.1Å; Q166-E169 PolarHBondContact O-N 3.34Å; Y167-E169 VanDerWaalsContact C-N 3.29Å; Y167-E169 PolarHBondContact O-N 3.15Å; E169-L173 WeakPolarHBondContact O-CB 3.42Å; E169-L173 PolarHBondContact O-N 2.89Å; E169-L173 VanDerWaalsContact O-N 3.1Å
170	T	64.5	Low	66.4	Low	44 Å²	44	85.8 Å²	85.8	27%	0.27	43%	0.427	S	S	.	.	H	α-helix	trans	-69.2	-34.1	175	56.9	0	0	0	0	112.4	Q166 Y167 L173 A174	Q166-T170 WeakPolarHBondContact O-CG2 3.37Å; Q166-T170 PolarHBondContact O-N 3.43Å; Q166-T170 PolarHBondContact O-OG1 3.12Å; Y167-T170 PolarHBondContact O-N 2.92Å; Y167-T170 PolarHBondContact O-OG1 2.78Å; Y167-T170 VanDerWaalsContact O-OG1 3.12Å; T170-L173 PolarHBondContact O-N 2.85Å; T170-A174 PolarHBondContact O-N 2.82Å
171	M	68	Low	65.7	Low	65 Å²	65	83 Å²	83	32%	0.32	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-43.9	176.5	-169.7	164.9	62.6	0	0	111.9	Y167 L173 A174 E175 P312	Y167-M171 HydrophobicContact CD1-CE 4.45Å; Y167-M171 HydrophobicContact CE1-CE 4.08Å; Y167-M171 HydrophobicContact CE1-SD 3.75Å; Y167-M171 WeakPolarHBondContact O-CB 3.37Å; Y167-M171 PolarHBondContact O-N 2.94Å; M171-L173 VanDerWaalsContact C-N 3.31Å; M171-L173 PolarHBondContact O-N 2.97Å; M171-A174 PolarHBondContact O-N 2.78Å; M171-E175 WeakPolarHBondContact O-CG 3.34Å; M171-E175 PolarHBondContact O-N 3.17Å; M171-P312 HydrophobicContact CB-CG 4.27Å
172	K	73.4	Confident	64.8	Low	113 Å²	113	84.7 Å²	84.7	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-37.9	173.1	-72.8	161.2	-162.5	152	0	112.5	D168 Y176	D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 WeakPolarHBondContact O-CD 3.49Å; D168-K172 WeakPolarHBondContact O-CE 3.48Å; D168-K172 WeakPolarHBondContact O-CG 3.41Å; D168-K172 PolarHBondContact O-N 3.46Å; D168-K172 VanDerWaalsContact O-N 3.13Å; D168-K172 WeakPolarHBondContact OD2-CE 3.44Å; D168-K172 IonicContact OD2-NZ 2.98Å; D168-K172 PolarHBondContact OD2-NZ 3.23Å; K172-Y176 WeakPolarHBondContact O-CB 3.38Å; K172-Y176 PolarHBondContact O-N 3.08Å
173	L	68.2	Low	64.1	Low	99 Å²	99	84.6 Å²	84.6	52%	0.518	43%	0.433	S	S	.	.	H	α-helix	trans	-65.9	-40.5	175.1	-175.2	60.8	0	0	0	111.7	E169 T170 M171 Y176 V177	E169-L173 WeakPolarHBondContact O-CB 3.42Å; E169-L173 PolarHBondContact O-N 2.89Å; E169-L173 VanDerWaalsContact O-N 3.1Å; T170-L173 PolarHBondContact O-N 2.85Å; M171-L173 VanDerWaalsContact C-N 3.31Å; M171-L173 PolarHBondContact O-N 2.97Å; L173-Y176 PolarHBondContact O-N 3.41Å; L173-V177 HydrophobicContact CD1-CG2 4.43Å; L173-V177 WeakPolarHBondContact O-CB 3.42Å; L173-V177 WeakPolarHBondContact O-CG2 3.42Å; L173-V177 PolarHBondContact O-N 3.36Å
174	A	67.9	Low	63.3	Low	27 Å²	27	85.3 Å²	85.3	22%	0.223	44%	0.441	C	S	.	.	H	α-helix	trans	-65.3	-43	175.4	0	0	0	0	0	112.4	T170 M171 V177 N178 P312	T170-A174 PolarHBondContact O-N 2.82Å; M171-A174 PolarHBondContact O-N 2.78Å; A174-V177 PolarHBondContact O-N 3.03Å; A174-N178 WeakPolarHBondContact O-CB 3.41Å; A174-N178 VanDerWaalsContact O-CG 3.29Å; A174-N178 PolarHBondContact O-N 2.92Å; A174-N178 PolarHBondContact O-ND2 2.82Å; A174-N178 VanDerWaalsContact O-ND2 3.08Å; A174-P312 HydrophobicContact CB-CG 4.2Å
175	E	73.2	Confident	62.9	Low	113 Å²	113	83.9 Å²	83.9	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-59.1	-46.3	172.5	-72.6	-175.9	153.6	0	0	111.7	M171 N178 S179	M171-E175 WeakPolarHBondContact O-CG 3.34Å; M171-E175 PolarHBondContact O-N 3.17Å; E175-N178 PolarHBondContact O-N 3.03Å; E175-S179 PolarHBondContact O-N 3.19Å
176	Y	72	Confident	62.1	Low	96 Å²	96	84.2 Å²	84.2	38%	0.376	45%	0.446	S	S	.	.	H	α-helix	trans	-61.1	-49.7	178	-178.6	-99.4	0	0	0	112.2	K172 L173 N178 S179 V180 V203	K172-Y176 WeakPolarHBondContact O-CB 3.38Å; K172-Y176 PolarHBondContact O-N 3.08Å; L173-Y176 PolarHBondContact O-N 3.41Å; Y176-N178 VanDerWaalsContact C-N 3.34Å; Y176-N178 PolarHBondContact O-N 2.86Å; Y176-S179 WeakPolarHBondContact O-CB 3.2Å; Y176-S179 PolarHBondContact O-N 2.87Å; Y176-S179 VanDerWaalsContact O-N 3.1Å; Y176-S179 PolarHBondContact O-OG 2.86Å; Y176-V180 HydrophobicContact CD1-CG2 4.36Å; Y176-V180 HydrophobicContact CE1-CG2 3.88Å; Y176-V180 HydrophobicContact CE2-CG2 4.37Å; Y176-V180 PolarHBondContact O-N 2.85Å; Y176-V203 HydrophobicContact CE1-CG1 4.45Å; Y176-V203 HydrophobicContact CE1-CG2 4.03Å
177	V	68.7	Low	61	Low	68 Å²	68	89 Å²	89	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-59.5	-43.8	178.9	168.4	0	0	0	0	111.3	L173 A174 S179 V180 S181	L173-V177 HydrophobicContact CD1-CG2 4.43Å; L173-V177 WeakPolarHBondContact O-CB 3.42Å; L173-V177 WeakPolarHBondContact O-CG2 3.42Å; L173-V177 PolarHBondContact O-N 3.36Å; A174-V177 PolarHBondContact O-N 3.03Å; V177-S179 VanDerWaalsContact C-N 3.32Å; V177-S179 PolarHBondContact O-N 3.17Å; V177-V180 PolarHBondContact O-N 3.38Å; V177-S181 PolarHBondContact O-N 2.87Å; V177-S181 PolarHBondContact O-OG 2.85Å
178	N	69.2	Low	59.8	Low	63 Å²	63	90.5 Å²	90.5	34%	0.337	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-39.7	175.6	-72.8	-33.3	0	0	0	112	A174 E175 Y176 V180 S181 S182	A174-N178 WeakPolarHBondContact O-CB 3.41Å; A174-N178 VanDerWaalsContact O-CG 3.29Å; A174-N178 PolarHBondContact O-N 2.92Å; A174-N178 PolarHBondContact O-ND2 2.82Å; A174-N178 VanDerWaalsContact O-ND2 3.08Å; E175-N178 PolarHBondContact O-N 3.03Å; Y176-N178 VanDerWaalsContact C-N 3.34Å; Y176-N178 PolarHBondContact O-N 2.86Å; N178-V180 VanDerWaalsContact C-N 3.35Å; N178-V180 PolarHBondContact O-N 3.43Å; N178-S181 PolarHBondContact O-N 3.42Å; N178-S182 PolarHBondContact O-N 2.86Å; N178-S182 PolarHBondContact O-OG 3.28Å; N178-S182 VanDerWaalsContact O-OG 3.11Å
179	S	70.7	Confident	58.7	Low	57 Å²	57	94.4 Å²	94.4	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-34.8	176.6	82.1	0	0	0	0	113.4	E175 Y176 V177 N183	E175-S179 PolarHBondContact O-N 3.19Å; Y176-S179 WeakPolarHBondContact O-CB 3.2Å; Y176-S179 PolarHBondContact O-N 2.87Å; Y176-S179 VanDerWaalsContact O-N 3.1Å; Y176-S179 PolarHBondContact O-OG 2.86Å; V177-S179 VanDerWaalsContact C-N 3.32Å; V177-S179 PolarHBondContact O-N 3.17Å; S179-N183 PolarHBondContact O-ND2 2.87Å
180	V	65.8	Low	57.4	Low	61 Å²	61	96.5 Å²	96.5	37%	0.37	52%	0.524	S	S	.	.	H	α-helix	trans	-71.5	-46.8	176	175.5	0	0	0	0	110.5	Y176 V177 N178 S182 N183	Y176-V180 HydrophobicContact CD1-CG2 4.36Å; Y176-V180 HydrophobicContact CE1-CG2 3.88Å; Y176-V180 HydrophobicContact CE2-CG2 4.37Å; Y176-V180 PolarHBondContact O-N 2.85Å; V177-V180 PolarHBondContact O-N 3.38Å; N178-V180 VanDerWaalsContact C-N 3.35Å; N178-V180 PolarHBondContact O-N 3.43Å; V180-S182 PolarHBondContact O-N 3.19Å; V180-N183 PolarHBondContact O-N 2.92Å
181	S	59.1	Low	55.9	Low	62 Å²	62	101.4 Å²	101.4	43%	0.434	55%	0.548	S	S	.	.	H	α-helix	trans	-58	-47.6	178.9	-61.3	0	0	0	0	112.4	V177 N178 N183 N184	V177-S181 PolarHBondContact O-N 2.87Å; V177-S181 PolarHBondContact O-OG 2.85Å; N178-S181 PolarHBondContact O-N 3.42Å; S181-N183 PolarHBondContact O-N 3.43Å; S181-N183 VanDerWaalsContact O-N 3.11Å; S181-N184 PolarHBondContact O-N 2.92Å; S181-N184 VanDerWaalsContact O-N 3.12Å
182	S	50.1	Low	54.3	Low	78 Å²	78	106.3 Å²	106.3	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-63.9	-17	-177.9	-62.5	0	0	0	0	115.1	N178 V180 N186	N178-S182 PolarHBondContact O-N 2.86Å; N178-S182 PolarHBondContact O-OG 3.28Å; N178-S182 VanDerWaalsContact O-OG 3.11Å; V180-S182 PolarHBondContact O-N 3.19Å; S182-N186 PolarHBondContact O-ND2 3.2Å
183	N	47.7	Very low	52.3	Low	115 Å²	115	110.7 Å²	110.7	62%	0.615	60%	0.598	S	S	*	*	H	α-helix	trans	-85.1	-27.5	176.4	-76.8	-55.8	0	0	0	112.8	S179 V180 S181	S179-N183 PolarHBondContact O-ND2 2.87Å; V180-N183 PolarHBondContact O-N 2.92Å; S181-N183 PolarHBondContact O-N 3.43Å; S181-N183 VanDerWaalsContact O-N 3.11Å
184	N	45.6	Very low	50.6	Low	117 Å²	117	108.9 Å²	108.9	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-77.8	-23.6	-175.8	-70.9	-28.7	0	0	0	113.9	S181 N186	S181-N184 PolarHBondContact O-N 2.92Å; S181-N184 VanDerWaalsContact O-N 3.12Å; N184-N186 VanDerWaalsContact C-N 3.28Å; N184-N186 PolarHBondContact O-N 3.26Å
185	D	45.7	Very low	48.8	Very low	133 Å²	133	113.6 Å²	113.6	71%	0.711	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-7.2	-177.3	-73	-39.5	0	0	0	114.5
186	N	42.8	Very low	46.9	Very low	135 Å²	135	115 Å²	115	72%	0.722	64%	0.644	S	S	*	*	S	Bend	trans	-99.7	-22.1	-174.7	-78.5	-75.5	0	0	0	115.4	S182 N184 N188	S182-N186 PolarHBondContact O-ND2 3.2Å; N184-N186 VanDerWaalsContact C-N 3.28Å; N184-N186 PolarHBondContact O-N 3.26Å; N186-N188 VanDerWaalsContact C-N 3.27Å; N186-N188 PolarHBondContact O-N 3.38Å; N186-N188 VanDerWaalsContact O-N 3.1Å
187	D	40.1	Very low	44.9	Very low	157 Å²	157	118.9 Å²	118.9	84%	0.84	67%	0.666	S	S	*	*			trans	-89.3	48.4	-176.7	-91	-29.4	0	0	0	113.5
188	N	36.2	Very low	43.2	Very low	139 Å²	139	121.2 Å²	121.2	74%	0.743	68%	0.68	S	S	*	*			trans	-106	57.1	178.2	-113.2	-49.2	0	0	0	112.6	N186	N186-N188 VanDerWaalsContact C-N 3.27Å; N186-N188 PolarHBondContact O-N 3.38Å; N186-N188 VanDerWaalsContact O-N 3.1Å
189	N	36.2	Very low	41.3	Very low	146 Å²	146	123.9 Å²	123.9	78%	0.781	70%	0.695	S	S	*	*			trans	-160.2	137.1	163.5	-106.1	-60.5	0	0	0	113.7
190	N	40	Very low	39.7	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	70%	0.7	S	S	*	*			trans	79.3	87.8	174	-49.1	-69.5	0	0	0	118.4
191	N	33.3	Very low	38.3	Very low	147 Å²	147	130.1 Å²	130.1	79%	0.786	71%	0.714	S	S	*	*				31.2	100.4	121.9	-55.4	-19.6	0	0	0	118.3
192	N	35.4	Very low	37.1	Very low	169 Å²	169	133.2 Å²	133.2	90%	0.904	73%	0.725	S	S	*	*				-163.3	144.4	127.8	-97.8	-41.6	0	0	0	111.1	G194	N192-G194 PolarHBondContact O-N 2.8Å
193	E	30.7	Very low	36.7	Very low	205 Å²	205	133.6 Å²	133.6	96%	0.958	72%	0.724	S	S	*	*			trans	-73.7	110.1	169	-64.8	177.6	127.4	0	0	108.9
194	G	32.1	Very low	36.2	Very low	61 Å²	61	133.4 Å²	133.4	63%	0.629	72%	0.723	S	S	*	*			trans	-159.6	118.1	179.7	0	0	0	0	0	111.4	N192 I196	N192-G194 PolarHBondContact O-N 2.8Å; G194-I196 PolarHBondContact O-N 2.86Å
195	S	30.2	Very low	35.7	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	72%	0.717	S	S	*	*			trans	-69.3	118.6	174.5	-173.8	0	0	0	0	109.7
196	I	33.4	Very low	35.3	Very low	142 Å²	142	133 Å²	133	73%	0.728	72%	0.721	S	S	*	*			trans	-120.8	114.6	172.7	-62.2	-179.9	0	0	0	107.7	G194 T198	G194-I196 PolarHBondContact O-N 2.86Å; I196-T198 HydrophobicContact CG2-CG2 4.34Å
197	Q	31	Very low	34.7	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	72%	0.719	S	S	*	*			trans	-79	122.8	168.7	-63.3	169.8	-64.2	0	0	107.7
198	T	32.7	Very low	34.2	Very low	116 Å²	116	129.8 Å²	129.8	71%	0.712	71%	0.71	S	S	*	*			trans	-101.7	112.2	175.4	50.5	0	0	0	0	109.5	I196 E200	I196-T198 HydrophobicContact CG2-CG2 4.34Å; T198-E200 PolarHBondContact O-N 3.41Å
199	N	29.6	Very low	33.9	Very low	120 Å²	120	130.3 Å²	130.3	64%	0.642	72%	0.718	S	S	*	*			trans	-66.3	122.2	-176.6	-63.7	21.8	0	0	0	111.6	E201	N199-E201 HydrophobicContact CB-CG 4.2Å; N199-E201 PolarHBondContact ND2-OE2 2.97Å; N199-E201 PolarHBondContact O-N 2.92Å
200	E	37	Very low	33.6	Very low	109 Å²	109	127 Å²	127	51%	0.509	72%	0.718	S	S	.	*			trans	-84.7	12.1	176.8	-62.9	-174.8	110.6	0	0	113.2	T198 N202 Q392	T198-E200 PolarHBondContact O-N 3.41Å; E200-N202 PolarHBondContact O-N 2.63Å; E200-Q392 PolarHBondContact OE2-NE2 3.36Å
201	E	35.6	Very low	33	Very low	139 Å²	139	128.3 Å²	128.3	65%	0.65	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-0.3	-171.9	-65.2	177.2	115.6	0	0	116.3	N199	N199-E201 HydrophobicContact CB-CG 4.2Å; N199-E201 PolarHBondContact ND2-OE2 2.97Å; N199-E201 PolarHBondContact O-N 2.92Å
202	N	33.9	Very low	32.9	Very low	127 Å²	127	130.2 Å²	130.2	68%	0.679	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	5.4	-168.3	-105.4	-22.2	0	0	0	115.6	E200	E200-N202 PolarHBondContact O-N 2.63Å
203	V	41	Very low	32.5	Very low	87 Å²	87	130.2 Å²	130.2	53%	0.527	72%	0.716	S	S	.	*	S	Bend	trans	-99.1	-34.9	-179.9	-170.2	0	0	0	0	112.4	Y176	Y176-V203 HydrophobicContact CE1-CG1 4.45Å; Y176-V203 HydrophobicContact CE1-CG2 4.03Å
204	D	38	Very low	32.5	Very low	110 Å²	110	129.3 Å²	129.3	59%	0.588	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-88.4	-14.4	-171.9	-138.2	7.9	0	0	0	113.6	H206 L207	D204-H206 PolarHBondContact O-N 2.88Å; D204-L207 PolarHBondContact O-N 3.49Å
205	S	35.6	Very low	32.2	Very low	72 Å²	72	132.2 Å²	132.2	50%	0.503	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-69.1	-3.8	-173	57.8	0	0	0	0	115.3
206	H	36.6	Very low	32.2	Very low	171 Å²	171	134.5 Å²	134.5	79%	0.792	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-94.2	-3.1	-179.3	-93.8	-72.8	0	0	0	115.5	D204	D204-H206 PolarHBondContact O-N 2.88Å
207	L	30.9	Very low	32.1	Very low	131 Å²	131	134.8 Å²	134.8	69%	0.686	72%	0.722	S	S	*	*	S	Bend	trans	-110.2	63.3	177.2	-88.6	151.3	0	0	0	112	D204	D204-L207 PolarHBondContact O-N 3.49Å
208	S	29.1	Very low	32.2	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	72%	0.724	S	S	*	*			trans	-145.7	159.6	168.9	68.8	0	0	0	0	113
209	V	29.6	Very low	32.3	Very low	150 Å²	150	135.7 Å²	135.7	91%	0.909	73%	0.729	S	S	*	*			trans	70.5	103.7	179	-168.9	0	0	0	0	115.3
210	G	29.4	Very low	32.1	Very low	75 Å²	75	136 Å²	136	77%	0.773	74%	0.74	S	S	*	*			trans	-171.7	24.8	175.5	0	0	0	0	0	115.1	E212	G210-E212 PolarHBondContact O-N 2.78Å
211	E	27.5	Very low	32	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	75%	0.751	S	S	*	*			trans	-67.8	110.6	177.4	-82.6	-165.9	95.3	0	0	111.7	K213	E211-K213 WeakPolarHBondContact OE1-CE 3.31Å; E211-K213 IonicContact OE1-NZ 2.78Å; E211-K213 PolarHBondContact OE1-NZ 3.23Å
212	E	30.7	Very low	31.7	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	76%	0.757	S	S	*	*			trans	-133.8	112.7	154.6	-161.6	165.8	-141.1	0	0	110.5	G210	G210-E212 PolarHBondContact O-N 2.78Å
213	K	27.5	Very low	31.5	Very low	170 Å²	170	134 Å²	134	74%	0.739	76%	0.763	S	S	*	*			trans	-79.6	121.4	-171	-72.9	172.2	179.2	160.3	0	111.8	E211	E211-K213 WeakPolarHBondContact OE1-CE 3.31Å; E211-K213 IonicContact OE1-NZ 2.78Å; E211-K213 PolarHBondContact OE1-NZ 3.23Å
214	Q	31.1	Very low	31.1	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	78%	0.783	S	S	*	*			trans	-123.8	121.1	153	-66.3	-163.9	9	0	0	110.2
215	T	25.3	Very low	30.6	Very low	122 Å²	122	141 Å²	141	75%	0.748	79%	0.794	S	S	*	*			trans	-82.2	119	-176.3	51.6	0	0	0	0	111
216	L	30.8	Very low	30.5	Very low	174 Å²	174	142.8 Å²	142.8	91%	0.911	81%	0.807	S	S	*	*			trans	-104.9	132.5	158.8	-75.7	167.5	0	0	0	108.2
217	N	30.7	Very low	30.2	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	81%	0.808	S	S	*	*			trans	-90.3	122.8	-172.2	-53.4	-66.3	0	0	0	110.2
218	E	33.3	Very low	30.2	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	82%	0.82	S	S	*	*			trans	-70.5	140.7	160.8	-66.8	-169.2	127.4	0	0	110.5	S220	E218-S220 PolarHBondContact O-N 2.7Å
219	P	35	Very low	30.3	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	82%	0.824	S	S	*	*			trans	-78.4	111.4	174.5	30.8	-31.8	0	0	0	110.5	S221	P219-S221 PolarHBondContact O-N 3.25Å
220	S	26.5	Very low	30.1	Very low	126 Å²	126	146 Å²	146	88%	0.881	82%	0.815	S	S	*	*			trans	-66.8	120.7	177.6	51.8	0	0	0	0	112.6	E218	E218-S220 PolarHBondContact O-N 2.7Å
221	S	32.8	Very low	30.1	Very low	107 Å²	107	150 Å²	150	75%	0.748	81%	0.811	S	S	*	*			trans	-120.7	97.2	171	62.2	0	0	0	0	111.8	P219	P219-S221 PolarHBondContact O-N 3.25Å
222	S	31.1	Very low	30.2	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	81%	0.806	S	S	*	*			trans	23.8	110.6	153.7	57	0	0	0	0	119
223	S	28.9	Very low	30.4	Very low	116 Å²	116	146.9 Å²	146.9	81%	0.811	80%	0.804	S	S	*	*			trans	-39.3	137.7	154.9	53.7	0	0	0	0	114.6
224	M	33.2	Very low	30.6	Very low	190 Å²	190	145.2 Å²	145.2	94%	0.936	80%	0.803	S	S	*	*			trans	-121.6	129.7	140.9	-80.6	-159.4	140.1	0	0	109.6
225	D	27.2	Very low	30.5	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	80%	0.801	S	S	*	*			trans	-85.8	130.5	-177.9	-177.5	10	0	0	0	109.6
226	S	33.9	Very low	30.7	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	81%	0.805	S	S	*	*			trans	-159.5	86.6	177.8	-76.3	0	0	0	0	111.8
227	N	29.4	Very low	30.7	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	80%	0.797	S	S	*	*			trans	31.6	108.8	154.4	-68.4	-29	0	0	0	118.7	Q229	N227-Q229 PolarHBondContact O-N 2.84Å
228	Q	30.7	Very low	30.6	Very low	199 Å²	199	142.5 Å²	142.5	93%	0.93	80%	0.795	S	S	*	*			trans	-58.3	117	155.5	-65.7	170.3	-30.2	0	0	110.6
229	Q	30.6	Very low	30.4	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	80%	0.795	S	S	*	*			trans	-112.7	103.5	150.8	-82.5	-166.6	-40.2	0	0	109.2	N227 F231	N227-Q229 PolarHBondContact O-N 2.84Å; Q229-F231 HydrophobicContact CB-CD2 4.16Å; Q229-F231 HydrophobicContact CB-CE2 3.85Å; Q229-F231 PolarHBondContact O-N 2.87Å
230	S	26.5	Very low	30.2	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	79%	0.792	S	S	*	*			trans	-66.9	97	170.8	161.6	0	0	0	0	109.6	T232	S230-T232 PolarHBondContact O-N 2.94Å
231	F	29.9	Very low	30.4	Very low	160 Å²	160	144.3 Å²	144.3	70%	0.702	79%	0.788	S	S	*	*			trans	-90.9	86.6	163.5	-77.6	-78.5	0	0	0	109.6	Q229 H233	Q229-F231 HydrophobicContact CB-CD2 4.16Å; Q229-F231 HydrophobicContact CB-CE2 3.85Å; Q229-F231 PolarHBondContact O-N 2.87Å; F231-H233 VanDerWaalsContact C-N 3.35Å; F231-H233 PolarHBondContact O-N 3.06Å
232	T	28.4	Very low	30.4	Very low	108 Å²	108	148.6 Å²	148.6	66%	0.663	80%	0.796	S	S	*	*			trans	-66.5	96.6	159.8	45.7	0	0	0	0	107.9	S230 D234	S230-T232 PolarHBondContact O-N 2.94Å; T232-D234 PolarHBondContact O-N 3.09Å; T232-D234 VanDerWaalsContact O-N 3.15Å
233	H	35.9	Very low	30.5	Very low	179 Å²	179	152.9 Å²	152.9	83%	0.829	80%	0.801	S	S	*	*			trans	-76.1	96.4	162.1	-107.6	-71	0	0	0	107.9	F231	F231-H233 VanDerWaalsContact C-N 3.35Å; F231-H233 PolarHBondContact O-N 3.06Å
234	D	31.5	Very low	30.5	Very low	135 Å²	135	156.1 Å²	156.1	72%	0.722	80%	0.803	S	S	*	*			trans	-56.6	149.6	166.6	-76.6	-62.1	0	0	0	110.3	T232 D236	T232-D234 PolarHBondContact O-N 3.09Å; T232-D234 VanDerWaalsContact O-N 3.15Å; D234-D236 PolarHBondContact O-N 3.46Å
235	N	28.8	Very low	30.3	Very low	156 Å²	156	152.3 Å²	152.3	83%	0.834	80%	0.795	S	S	*	*			trans	-60.2	128.3	174	-68.2	-81.7	0	0	0	110.1
236	D	30.6	Very low	30.6	Very low	155 Å²	155	150.4 Å²	150.4	83%	0.829	79%	0.794	S	S	*	*			trans	-121.9	119.9	142.5	-146.8	-26.4	0	0	0	108.6	D234	D234-D236 PolarHBondContact O-N 3.46Å
237	N	29.3	Very low	30.4	Very low	139 Å²	139	154.2 Å²	154.2	74%	0.743	80%	0.804	S	S	*	*			trans	-112	69.2	-153.1	-173.6	29	0	0	0	111
238	T	28.4	Very low	30.4	Very low	123 Å²	123	151.2 Å²	151.2	76%	0.755	80%	0.796	S	S	*	*			trans	-130.9	74.2	-176.4	-49.5	0	0	0	0	111.9
239	L	30.3	Very low	30.5	Very low	168 Å²	168	149.1 Å²	149.1	88%	0.88	79%	0.791	S	S	*	*			trans	-142.1	62.8	164.7	-124.8	169.1	0	0	0	110.6	E241	L239-E241 PolarHBondContact O-N 3.47Å
240	N	31.3	Very low	30.8	Very low	138 Å²	138	150.6 Å²	150.6	74%	0.738	80%	0.8	S	S	*	*			trans	-68.1	125.1	175.9	-85.8	-7.8	0	0	0	111.6	H242	N240-H242 PolarHBondContact O-N 2.79Å
241	E	29.4	Very low	31.4	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	81%	0.807	S	S	*	*			trans	21.3	83	138.1	-56.4	-170.8	134.9	0	0	118.7	L239	L239-E241 PolarHBondContact O-N 3.47Å
242	H	34.2	Very low	31.4	Very low	196 Å²	196	150.9 Å²	150.9	91%	0.907	80%	0.802	S	S	*	*			trans	-128.1	78	148.9	-81.3	-53.1	0	0	0	110.7	N240	N240-H242 PolarHBondContact O-N 2.79Å
243	K	31.3	Very low	31.7	Very low	201 Å²	201	154.1 Å²	154.1	87%	0.874	81%	0.809	S	S	*	*			trans	-110.1	60.5	-177.9	-163.3	-175.1	-176.2	179.7	0	111.8
244	E	30.3	Very low	31.6	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	81%	0.809	S	S	*	*			trans	-160.7	156.6	164.4	-123.7	169.2	-155.3	0	0	113.6
245	S	29.2	Very low	31.9	Very low	111 Å²	111	157.5 Å²	157.5	78%	0.776	82%	0.817	S	S	*	*	S	Bend	trans	62.9	87.2	173.2	66.5	0	0	0	0	119.5
246	S	32.7	Very low	32.3	Very low	114 Å²	114	159.3 Å²	159.3	80%	0.797	82%	0.818	S	S	*	*				176	69.2	127.1	45.9	0	0	0	0	111.8
247	L	30	Very low	32.1	Very low	189 Å²	189	158 Å²	158	99%	0.99	82%	0.815	S	S	*	*			trans	-118.9	74.9	170.3	-95.4	170.1	0	0	0	110.9
248	S	29.3	Very low	32.4	Very low	91 Å²	91	159.3 Å²	159.3	64%	0.636	82%	0.823	S	S	*	*			trans	-139.5	177.7	158.5	68.3	0	0	0	0	108.5
249	D	32.5	Very low	32.7	Very low	155 Å²	155	161.3 Å²	161.3	83%	0.829	82%	0.824	S	S	*	*			trans	70.3	49.7	167.2	-45.1	-1.1	0	0	0	115.5
250	M	37.5	Very low	32.9	Very low	187 Å²	187	163.7 Å²	163.7	92%	0.921	82%	0.822	S	S	*	*			trans	-109.7	69.9	154.2	-163.1	173.1	73.2	0	0	110
251	E	38.4	Very low	33.2	Very low	185 Å²	185	162.3 Å²	162.3	86%	0.864	82%	0.815	S	S	*	*			trans	-69.8	143	178.4	-168.5	168.4	-141.5	0	0	111.6
252	S	31	Very low	33.5	Very low	85 Å²	85	163.7 Å²	163.7	59%	0.594	81%	0.813	S	S	*	*			trans	-79.8	138.4	-175.6	55.2	0	0	0	0	112.9
253	H	33.4	Very low	33.6	Very low	176 Å²	176	158.5 Å²	158.5	82%	0.815	80%	0.799	S	S	*	*				174.8	125.3	113.7	-94.4	-68.8	0	0	0	112.5
254	E	35	Very low	33.8	Very low	178 Å²	178	155.9 Å²	155.9	83%	0.832	79%	0.794	S	S	*	*				-176.3	112.8	121.2	-105.4	-164.2	-162.5	0	0	110.4
255	K	36.8	Very low	34.1	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.896	78%	0.783	S	S	*	*			trans	-129.4	125.5	159.2	-101.8	-176.9	178.1	174.6	0	108.2
256	K	38.1	Very low	34.4	Very low	194 Å²	194	152.8 Å²	152.8	84%	0.843	78%	0.779	S	S	*	*			trans	-67.4	141.7	-175.2	-71.5	174.7	179.1	170.4	0	110.8
257	T	26.7	Very low	34.7	Very low	127 Å²	127	154.4 Å²	154.4	78%	0.779	78%	0.778	S	S	*	*			trans	-59.3	141.8	174.5	50.5	0	0	0	0	111.7
258	N	35.5	Very low	35	Very low	167 Å²	167	153.4 Å²	153.4	89%	0.893	77%	0.768	S	S	*	*			trans	-149.6	133.8	130.8	-100.2	-18.9	0	0	0	110.5
259	E	34	Very low	35.3	Very low	166 Å²	166	155.6 Å²	155.6	78%	0.776	77%	0.773	S	S	*	*			trans	-73.4	142.7	-175.2	174	-179.5	-168	0	0	112.2
260	Y	34.5	Very low	35.5	Very low	217 Å²	217	155.3 Å²	155.3	85%	0.851	77%	0.771	S	S	*	*			trans	-175	87.9	134.2	-102.2	-63.4	0	0	0	114
261	D	37.6	Very low	35.8	Very low	110 Å²	110	155 Å²	155	59%	0.588	77%	0.767	S	S	*	*				70.5	148.5	127.6	-160.7	34.9	0	0	0	124.2
262	R	36.6	Very low	35.5	Very low	199 Å²	199	152.9 Å²	152.9	75%	0.751	76%	0.759	S	S	*	*			trans	72.8	78.1	159.2	-87.8	167	179	109.1	2.5	123.3
263	S	36.1	Very low	35.8	Very low	88 Å²	88	155.8 Å²	155.8	62%	0.615	77%	0.768	S	S	*	*				60.5	118.5	105.7	72.8	0	0	0	0	122.1
264	N	35.6	Very low	35.7	Very low	146 Å²	146	155.8 Å²	155.8	78%	0.781	76%	0.762	S	S	*	*				144.8	132.5	97.6	-99.4	3.4	0	0	0	117.1
265	V	35.6	Very low	35.8	Very low	103 Å²	103	155.1 Å²	155.1	62%	0.624	76%	0.764	S	S	*	*			trans	79.4	97.2	139.9	176.3	0	0	0	0	119.8
266	D	36.6	Very low	35.8	Very low	126 Å²	126	153.2 Å²	153.2	67%	0.674	76%	0.759	S	S	*	*				48.8	125.9	121.4	-33.9	-27	0	0	0	119
267	N	37.8	Very low	35.8	Very low	148 Å²	148	149.9 Å²	149.9	79%	0.791	76%	0.759	S	S	*	*				-163.1	164.9	68.9	-92.3	-86	0	0	0	115.6
268	E	37.2	Very low	36.2	Very low	167 Å²	167	150.6 Å²	150.6	78%	0.78	76%	0.759	S	S	*	*			trans	-63.5	146.3	-169.3	-56.7	166.2	151.2	0	0	117.6
269	D	35.3	Very low	36.2	Very low	138 Å²	138	148.1 Å²	148.1	74%	0.738	75%	0.754	S	S	*	*			trans	36.6	131.1	130.3	-53.7	-16.7	0	0	0	121.9
270	N	36.9	Very low	36.3	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	75%	0.752	S	S	*	*				-169.1	125.8	91.6	-104.8	-83.2	0	0	0	116
271	H	42.8	Very low	36.4	Very low	181 Å²	181	140.2 Å²	140.2	84%	0.838	75%	0.749	S	S	*	*			trans	26.5	132.7	140.9	-125.3	-79.5	0	0	0	122.8
272	M	33.4	Very low	36.3	Very low	141 Å²	141	140.4 Å²	140.4	70%	0.695	75%	0.754	S	S	*	*			trans	-78.2	160	160.8	-55.2	-168.6	-60.8	0	0	112.3	Y274	M272-Y274 HydrophobicContact CE-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.35Å
273	N	37.4	Very low	36.5	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	75%	0.754	S	S	*	*				-152.1	156.8	128.7	-157.4	29	0	0	0	112
274	Y	30.1	Very low	36.7	Very low	176 Å²	176	141.5 Å²	141.5	69%	0.69	76%	0.76	S	S	*	*			trans	-93.5	166.1	171.2	-68.2	-103.5	0	0	0	110.7	M272	M272-Y274 HydrophobicContact CE-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.35Å
275	D	38	Very low	37	Very low	163 Å²	163	141.3 Å²	141.3	87%	0.872	75%	0.754	S	S	*	*				-176.5	168.1	123	-95.6	-16.8	0	0	0	113.7
276	E	36.3	Very low	37.3	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	76%	0.758	S	S	*	*			trans	-112.4	153.3	-163.7	-179.1	-169.8	167.2	0	0	112.7
277	S	39.1	Very low	37.5	Very low	123 Å²	123	143 Å²	143	86%	0.86	76%	0.759	S	S	*	*			trans	173.3	167.9	141.9	42.1	0	0	0	0	114.2
278	N	33.7	Very low	37.8	Very low	142 Å²	142	143.3 Å²	143.3	76%	0.759	76%	0.761	S	S	*	*			trans	-118.1	165	-164.6	-85.1	-69.2	0	0	0	115.5
279	S	36	Very low	38.3	Very low	115 Å²	115	144 Å²	144	80%	0.804	76%	0.764	S	S	*	*			trans	104.3	149.1	139	80.2	0	0	0	0	123
280	A	36.9	Very low	38.4	Very low	88 Å²	88	144.8 Å²	144.8	73%	0.727	77%	0.768	S	S	*	*			trans	65.9	117.5	163.4	0	0	0	0	0	119.4
281	V	35.1	Very low	38.8	Very low	130 Å²	130	145.6 Å²	145.6	79%	0.788	77%	0.766	S	S	*	*				74.3	120.8	65.1	174.6	0	0	0	0	111.8
282	T	36	Very low	38.7	Very low	114 Å²	114	144 Å²	144	70%	0.699	76%	0.758	S	S	*	*				-168.7	158.9	63.2	-19.6	0	0	0	0	114.2
283	D	40.4	Very low	38.9	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	76%	0.759	S	S	*	*			trans	43.8	134.6	146.6	-69.1	-8.4	0	0	0	125.4
284	K	41.1	Very low	39.3	Very low	171 Å²	171	144.6 Å²	144.6	74%	0.743	76%	0.758	S	S	*	*				-179.4	125	97.6	-92.1	-171	177.3	-172.8	0	113.4
285	Q	41.3	Very low	39.9	Very low	142 Å²	142	141.6 Å²	141.6	66%	0.664	76%	0.76	S	S	*	*				68.2	133.1	102.7	-64.5	-172.5	-88.2	0	0	117
286	L	42.7	Very low	40.2	Very low	133 Å²	133	143.1 Å²	143.1	70%	0.696	76%	0.762	S	S	*	*			cis	-129.8	-119.3	-6.8	-107.8	163	0	0	0	111.1
287	D	40	Very low	40.4	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	76%	0.763	S	S	*	*			cis	-159.8	151.4	-0.8	-60.8	85.4	0	0	0	110.4
288	D	43.3	Very low	40.5	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	76%	0.76	S	S	*	*			trans	12.9	153.6	160	-52.4	-18.6	0	0	0	124
289	E	48.7	Very low	40.9	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	76%	0.759	S	S	*	*			cis	-154.3	169.5	5.7	-142	-178.4	163.6	0	0	111.6
290	L	37.1	Very low	41.5	Very low	154 Å²	154	141.1 Å²	141.1	81%	0.806	76%	0.757	S	S	*	*			trans	-143.7	138.6	-172.3	171	70.9	0	0	0	114.5
291	H	44.8	Very low	41.7	Very low	164 Å²	164	144 Å²	144	76%	0.759	76%	0.76	S	S	*	*			trans	-157.4	129.7	161	-96.3	-63.8	0	0	0	116.5
292	H	41.4	Very low	42.1	Very low	147 Å²	147	147.1 Å²	147.1	68%	0.681	77%	0.766	S	S	*	*			trans	48.9	126.7	158.1	-80.3	-23	0	0	0	121.2
293	E	38.5	Very low	42.4	Very low	150 Å²	150	150.1 Å²	150.1	70%	0.701	77%	0.769	S	S	*	*				76.4	137.3	65.4	-78.9	-178.6	-118.6	0	0	114.8
294	I	44.2	Very low	42.5	Very low	151 Å²	151	149.4 Å²	149.4	77%	0.774	77%	0.772	S	S	*	*			cis	-140.9	-174	2.8	12	179.8	0	0	0	110.3
295	P	43.9	Very low	42.5	Very low	112 Å²	112	146.8 Å²	146.8	73%	0.727	77%	0.77	S	S	*	*			trans	-115	167.2	-147.1	43.9	-36.7	0	0	0	117.9
296	E	44.8	Very low	42.7	Very low	195 Å²	195	147 Å²	147	91%	0.911	77%	0.774	S	S	*	*			trans	-134.7	156.3	162.5	-67.8	-168.2	165.3	0	0	112.1
297	T	39.7	Very low	42.7	Very low	131 Å²	131	148.3 Å²	148.3	80%	0.804	77%	0.774	S	S	*	*			trans	-137.7	174.7	-173.3	54.8	0	0	0	0	110.7
298	P	41.9	Very low	43.2	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	78%	0.778	S	S	*	*			cis	-123.5	171.5	-48.5	37.2	-24.7	0	0	0	111.2
299	S	42.1	Very low	43.1	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	77%	0.766	S	S	*	*			trans	-151.3	117.3	176.3	63.7	0	0	0	0	117.4
300	I	48.3	Very low	43.3	Very low	145 Å²	145	142.5 Å²	142.5	74%	0.744	75%	0.753	S	S	*	*			trans	71.3	99.4	140.4	-53.2	166.3	0	0	0	118.5	E302	I300-E302 PolarHBondContact O-N 3.05Å
301	D	40.2	Very low	43.9	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	75%	0.746	S	S	*	*				46.5	55.4	129.6	-49.9	-16.5	0	0	0	120.6	K303	D301-K303 PolarHBondContact O-N 2.03Å; D301-K303 VanDerWaalsContact O-N 3.09Å
302	E	43	Very low	44.7	Very low	197 Å²	197	133.8 Å²	133.8	92%	0.921	72%	0.718	S	S	*	*			trans	-71.1	98.8	155.5	-73	-161.5	136.3	0	0	110.6	I300	I300-E302 PolarHBondContact O-N 3.05Å
303	K	43.2	Very low	46.1	Very low	177 Å²	177	134 Å²	134	77%	0.77	72%	0.723	S	S	*	*			trans	-65	142.5	164.1	-69.6	-177.5	178.4	-179.3	0	109.5	D301 V305	D301-K303 PolarHBondContact O-N 2.03Å; D301-K303 VanDerWaalsContact O-N 3.09Å; K303-V305 PolarHBondContact O-N 2.87Å; K303-V305 VanDerWaalsContact O-N 3.08Å
304	P	43.3	Very low	48.3	Very low	123 Å²	123	132.3 Å²	132.3	80%	0.799	73%	0.725	S	S	*	*			trans	-61.7	117.1	176.8	25.9	-33.8	0	0	0	109.9	I306	P304-I306 PolarHBondContact O-N 3.3Å; P304-I306 VanDerWaalsContact O-N 3.12Å
305	V	39.9	Very low	50.5	Low	116 Å²	116	127 Å²	127	70%	0.703	70%	0.698	S	S	*	*			trans	-71	105.5	170.5	178.6	0	0	0	0	107.2	K303 K307	K303-V305 PolarHBondContact O-N 2.87Å; K303-V305 VanDerWaalsContact O-N 3.08Å; V305-K307 HydrophobicContact CG1-CG 4.06Å; V305-K307 PolarHBondContact O-N 3.45Å
306	I	46.1	Very low	52.9	Low	147 Å²	147	124 Å²	124	75%	0.754	68%	0.676	S	S	*	*			trans	-63.3	106.5	168.1	-58.2	174	0	0	0	106.4	P304	P304-I306 PolarHBondContact O-N 3.3Å; P304-I306 VanDerWaalsContact O-N 3.12Å
307	K	43.1	Very low	55.3	Low	160 Å²	160	115.1 Å²	115.1	70%	0.696	63%	0.634	S	S	*	*			trans	-89.9	138.3	176.1	-67.5	-178.6	-178.3	177.6	0	109.1	V305	V305-K307 HydrophobicContact CG1-CG 4.06Å; V305-K307 PolarHBondContact O-N 3.45Å
308	D	48.8	Very low	57.9	Low	145 Å²	145	109.4 Å²	109.4	78%	0.775	60%	0.6	S	S	*	*			trans	58.6	69.6	161.5	-46.1	-36.9	0	0	0	115.1	P310	D308-P310 WeakPolarHBondContact O-CD 3.36Å
309	I	43	Very low	60.4	Low	112 Å²	112	105.4 Å²	105.4	57%	0.574	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-61.6	121.7	160.2	-58.1	173.9	0	0	0	107.6	T311	I309-T311 PolarHBondContact O-N 2.83Å; I309-T311 VanDerWaalsContact O-N 3.17Å
310	P	52.3	Low	62.9	Low	89 Å²	89	105.8 Å²	105.8	58%	0.578	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65.4	117	177.4	-21.2	33.9	0	0	0	110.7	D308	D308-P310 WeakPolarHBondContact O-CD 3.36Å
311	T	50.1	Low	65.1	Low	107 Å²	107	101.7 Å²	101.7	66%	0.656	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64	131.1	171.7	49.8	0	0	0	0	109.6	I309 I313	I309-T311 PolarHBondContact O-N 2.83Å; I309-T311 VanDerWaalsContact O-N 3.17Å; T311-I313 PolarHBondContact O-N 2.86Å
312	P	61.2	Low	67.8	Low	28 Å²	28	94.6 Å²	94.6	18%	0.182	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-53.8	124.1	176.9	-25.9	33.8	0	0	0	111.5	M171 A174 P314	M171-P312 HydrophobicContact CB-CG 4.27Å; A174-P312 HydrophobicContact CB-CG 4.2Å; P312-P314 WeakPolarHBondContact O-CD 3.34Å
313	I	70.2	Confident	70.3	Confident	152 Å²	152	85.4 Å²	85.4	78%	0.779	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-66.4	127.5	176.5	-59.3	176.4	0	0	0	107.9	T311 I315	T311-I313 PolarHBondContact O-N 2.86Å; I313-I315 PolarHBondContact O-N 2.9Å
314	P	85.9	Confident	72.8	Confident	114 Å²	114	77.6 Å²	77.6	74%	0.74	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-56.5	129.9	176.3	-26.4	35.5	0	0	0	111.4	P312 D316	P312-P314 WeakPolarHBondContact O-CD 3.34Å; P314-D316 PolarHBondContact O-N 3.13Å
315	I	90.2	Very high	75.3	Confident	40 Å²	40	72.7 Å²	72.7	21%	0.205	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-69.4	125.1	-177.5	-63.8	166.7	0	0	0	109.7	I313 Y317 F348	I313-I315 PolarHBondContact O-N 2.9Å; I315-Y317 HydrophobicContact CB-CD2 4.5Å; I315-Y317 HydrophobicContact CB-CE1 4.38Å; I315-Y317 HydrophobicContact CB-CE2 3.78Å; I315-Y317 HydrophobicContact CG2-CD1 4.08Å; I315-Y317 HydrophobicContact CG2-CD2 4.27Å; I315-Y317 HydrophobicContact CG2-CE1 3.59Å; I315-Y317 HydrophobicContact CG2-CE2 3.8Å; I315-Y317 HydrophobicContact CG2-CG 4.4Å; I315-Y317 VanDerWaalsContact CG2-CZ 3.44Å; I315-Y317 VanDerWaalsContact O-CD2 3.25Å; I315-Y317 WeakPolarHBondContact O-CD2 3.17Å; I315-Y317 WeakPolarHBondContact O-CE2 3.01Å; I315-Y317 PolarHBondContact O-N 2.87Å; I315-F348 HydrophobicContact CD1-CB 4.4Å; I315-F348 HydrophobicContact CG2-CB 4.22Å; I315-F348 HydrophobicContact CG2-CD1 3.31Å; I315-F348 HydrophobicContact CG2-CE1 3.84Å; I315-F348 HydrophobicContact CG2-CG 3.95Å
316	D	93.4	Very high	78	Confident	50 Å²	50	67.2 Å²	67.2	27%	0.267	36%	0.36	S	S	.	.			trans	-80.2	103.7	174.4	-172.1	-11.8	0	0	0	110.3	P314 G318 W373 K381	P314-D316 PolarHBondContact O-N 3.13Å; D316-G318 PolarHBondContact O-N 2.79Å; D316-G318 WeakPolarHBondContact OD1-CA 3.48Å; D316-G318 PolarHBondContact OD1-N 3.18Å; D316-W373 PolarHBondContact O-NE1 3.41Å; D316-K381 IonicContact OD2-NZ 3.71Å; D316-K381 PolarHBondContact OD2-NZ 2.85Å
317	Y	95.4	Very high	80.3	Confident	8 Å²	8	62.5 Å²	62.5	3%	0.031	34%	0.339	C	S	.	.			trans	-85.3	13.4	177.3	-64.6	-72.6	0	0	0	113.7	Q166 I315 E321 G322 F323 R324 T327 F348	Q166-Y317 PolarHBondContact NE2-OH 2.79Å; Q166-Y317 PolarHBondContact OE1-OH 2.85Å; I315-Y317 HydrophobicContact CB-CD2 4.5Å; I315-Y317 HydrophobicContact CB-CE1 4.38Å; I315-Y317 HydrophobicContact CB-CE2 3.78Å; I315-Y317 HydrophobicContact CG2-CD1 4.08Å; I315-Y317 HydrophobicContact CG2-CD2 4.27Å; I315-Y317 HydrophobicContact CG2-CE1 3.59Å; I315-Y317 HydrophobicContact CG2-CE2 3.8Å; I315-Y317 HydrophobicContact CG2-CG 4.4Å; I315-Y317 VanDerWaalsContact CG2-CZ 3.44Å; I315-Y317 VanDerWaalsContact O-CD2 3.25Å; I315-Y317 WeakPolarHBondContact O-CD2 3.17Å; I315-Y317 WeakPolarHBondContact O-CE2 3.01Å; I315-Y317 PolarHBondContact O-N 2.87Å; Y317-E321 CarbonylContact O-C 3.52Å; Y317-E321 WeakPolarHBondContact O-CA 3.22Å; Y317-G322 PolarHBondContact O-N 2.74Å; Y317-F323 WeakPolarHBondContact O-CB 3.45Å; Y317-F323 PolarHBondContact O-N 2.89Å; Y317-R324 HydrophobicContact CD1-CB 3.93Å; Y317-R324 HydrophobicContact CD1-CG 4.5Å; Y317-R324 VanDerWaalsContact CE2-CZ 3.46Å; Y317-R324 VanDerWaalsContact CE2-NH2 3.34Å; Y317-R324 HydrophobicContact CG-CB 3.96Å; Y317-T327 HydrophobicContact CE1-CG2 3.62Å; Y317-F348 HydrophobicContact CD1-CD1 4.47Å; Y317-F348 HydrophobicContact CD1-CD2 4.15Å; Y317-F348 HydrophobicContact CD1-CE1 4.18Å; Y317-F348 AromaticContact CD1-CE2 3.86Å; Y317-F348 HydrophobicContact CD1-CE2 3.86Å; Y317-F348 HydrophobicContact CD1-CG 4.44Å; Y317-F348 AromaticContact CD1-CZ 3.87Å; Y317-F348 HydrophobicContact CD1-CZ 3.87Å; Y317-F348 HydrophobicContact CE1-CD1 4.22Å; Y317-F348 AromaticContact CE1-CD2 3.83Å; Y317-F348 HydrophobicContact CE1-CD2 3.83Å; Y317-F348 HydrophobicContact CE1-CE1 4.39Å; Y317-F348 HydrophobicContact CE1-CE2 4.04Å; Y317-F348 AromaticContact CE1-CG 3.93Å; Y317-F348 HydrophobicContact CE1-CG 3.93Å; Y317-F348 HydrophobicContact CE1-CZ 4.3Å
318	G	94.3	Very high	82.7	Confident	10 Å²	10	59 Å²	59	10%	0.103	33%	0.325	C	S	.	.			trans	70.5	-160.4	174.2	0	0	0	0	0	114.8	D316 E320 E321 Y383	D316-G318 PolarHBondContact O-N 2.79Å; D316-G318 WeakPolarHBondContact OD1-CA 3.48Å; D316-G318 PolarHBondContact OD1-N 3.18Å; G318-E320 PolarHBondContact O-N 2.89Å; G318-E321 PolarHBondContact O-N 3.32Å; G318-Y383 VanDerWaalsContact CA-CE1 3.44Å
319	P	94	Very high	84.8	Confident	38 Å²	38	53.1 Å²	53.1	25%	0.247	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.2	124.4	-173	-26.2	36.3	0	0	0	111.8	E321 G322 Y383	P319-E321 PolarHBondContact O-N 3.39Å; P319-E321 VanDerWaalsContact O-N 3.08Å; P319-G322 PolarHBondContact O-N 3.46Å; P319-Y383 HydrophobicContact CG-CD2 3.74Å; P319-Y383 HydrophobicContact CG-CE2 3.7Å
320	E	94.5	Very high	87.2	Confident	116 Å²	116	53.9 Å²	53.9	54%	0.542	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	52.8	24.4	-176.9	-47.1	-148.8	97.4	0	0	115.3	V149 K153 G318 G322	V149-E320 HydrophobicContact CG1-CB 3.65Å; V149-E320 HydrophobicContact CG1-CG 4.4Å; V149-E320 WeakPolarHBondContact CG1-OE2 3.03Å; V149-E320 HydrophobicContact CG2-CB 4.09Å; K153-E320 WeakPolarHBondContact CE-OE1 3.14Å; K153-E320 IonicContact NZ-OE1 2.74Å; K153-E320 PolarHBondContact NZ-OE1 3.39Å; K153-E320 IonicContact NZ-OE2 2.7Å; K153-E320 PolarHBondContact NZ-OE2 2.92Å; G318-E320 PolarHBondContact O-N 2.89Å; E320-G322 PolarHBondContact O-N 2.89Å
321	E	94.9	Very high	89	Confident	58 Å²	58	56.8 Å²	56.8	27%	0.271	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	58.3	22.4	-169.2	-64.1	176.7	71.5	0	0	114.6	L152 K156 Y317 G318 P319 F323 R324	L152-E321 HydrophobicContact CD2-CB 3.75Å; K156-E321 WeakPolarHBondContact CE-OE2 3.06Å; K156-E321 IonicContact NZ-OE1 2.63Å; K156-E321 PolarHBondContact NZ-OE1 2.96Å; K156-E321 IonicContact NZ-OE2 3.37Å; K156-E321 PolarHBondContact NZ-OE2 2.94Å; Y317-E321 CarbonylContact O-C 3.52Å; Y317-E321 WeakPolarHBondContact O-CA 3.22Å; G318-E321 PolarHBondContact O-N 3.32Å; P319-E321 PolarHBondContact O-N 3.39Å; P319-E321 VanDerWaalsContact O-N 3.08Å; E321-F323 VanDerWaalsContact C-N 3.28Å; E321-F323 PolarHBondContact O-N 2.9Å; E321-R324 WeakPolarHBondContact O-CB 3.29Å; E321-R324 PolarHBondContact O-N 3.46Å; E321-R324 IonicContact OE1-CZ 3.5Å; E321-R324 VanDerWaalsContact OE1-CZ 3.27Å; E321-R324 IonicContact OE1-NE 3.38Å; E321-R324 PolarHBondContact OE1-NE 3.04Å; E321-R324 IonicContact OE1-NH2 2.84Å; E321-R324 PolarHBondContact OE1-NH2 3.18Å
322	G	96.2	Very high	91	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.4	-33.4	-174.1	0	0	0	0	0	115	Y317 P319 E320 R324 M325	Y317-G322 PolarHBondContact O-N 2.74Å; P319-G322 PolarHBondContact O-N 3.46Å; E320-G322 PolarHBondContact O-N 2.89Å; G322-R324 PolarHBondContact O-N 3.25Å; G322-M325 WeakPolarHBondContact O-CB 3.22Å; G322-M325 PolarHBondContact O-N 3.01Å
323	F	97.3	Very high	92.7	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.018	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-70.2	-9	175.8	-68.2	-88.2	0	0	0	114.2	Y317 E321 M325 L326 F348 W373 V406 T431 A433 A434	Y317-F323 WeakPolarHBondContact O-CB 3.45Å; Y317-F323 PolarHBondContact O-N 2.89Å; E321-F323 VanDerWaalsContact C-N 3.28Å; E321-F323 PolarHBondContact O-N 2.9Å; F323-M325 PolarHBondContact O-N 2.71Å; F323-M325 VanDerWaalsContact O-N 3.15Å; F323-L326 HydrophobicContact CD1-CD1 3.93Å; F323-L326 WeakPolarHBondContact O-CB 3.37Å; F323-L326 PolarHBondContact O-N 3.16Å; F323-F348 HydrophobicContact CB-CE2 3.91Å; F323-F348 HydrophobicContact CB-CZ 3.63Å; F323-F348 WeakPolarHBondContact O-CE2 3.45Å; F323-W373 HydrophobicContact CB-CZ2 4.32Å; F323-W373 AromaticContact CD1-CH2 3.75Å; F323-W373 HydrophobicContact CD1-CH2 3.75Å; F323-W373 HydrophobicContact CD1-CZ2 4.26Å; F323-W373 AromaticContact CD2-CH2 3.91Å; F323-W373 HydrophobicContact CD2-CH2 3.91Å; F323-W373 AromaticContact CD2-CZ2 3.85Å; F323-W373 HydrophobicContact CD2-CZ2 3.85Å; F323-W373 AromaticContact CE1-CH2 3.71Å; F323-W373 HydrophobicContact CE1-CH2 3.71Å; F323-W373 HydrophobicContact CE1-CZ3 4.5Å; F323-W373 AromaticContact CE2-CH2 3.86Å; F323-W373 HydrophobicContact CE2-CH2 3.86Å; F323-W373 HydrophobicContact CE2-CZ2 4.16Å; F323-W373 AromaticContact CG-CH2 3.85Å; F323-W373 HydrophobicContact CG-CH2 3.85Å; F323-W373 AromaticContact CG-CZ2 3.9Å; F323-W373 HydrophobicContact CG-CZ2 3.9Å; F323-W373 AromaticContact CZ-CH2 3.75Å; F323-W373 HydrophobicContact CZ-CH2 3.75Å; F323-W373 HydrophobicContact CZ-CZ2 4.5Å; F323-W373 HydrophobicContact CZ-CZ3 4.38Å; F323-V406 HydrophobicContact CE1-CB 4.34Å; F323-V406 HydrophobicContact CE1-CG2 3.88Å; F323-V406 HydrophobicContact CZ-CG2 3.89Å; F323-T431 HydrophobicContact CE1-CG2 4.27Å; F323-A433 HydrophobicContact CB-CB 4.28Å; F323-A433 HydrophobicContact CD1-CB 3.4Å; F323-A433 VanDerWaalsContact CD1-CB 3.4Å; F323-A433 HydrophobicContact CE1-CB 3.82Å; F323-A433 HydrophobicContact CG-CB 3.84Å; F323-A434 HydrophobicContact CE1-CB 4.19Å; F323-A434 HydrophobicContact CZ-CB 4.03Å
324	R	95.1	Very high	94	Very high	13 Å²	13	46.9 Å²	46.9	5%	0.049	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-58.4	-24.4	169.3	-172.3	179.2	-77.4	-73.3	9.6	112.2	Y148 L152 Y317 E321 G322 L326 T327	Y148-R324 HydrophobicContact CE1-CB 4.38Å; Y148-R324 VanDerWaalsContact OH-C 3.27Å; Y148-R324 WeakPolarHBondContact OH-CB 3.41Å; Y148-R324 WeakPolarHBondContact OH-CG 3.5Å; L152-R324 HydrophobicContact CD2-CB 4.5Å; Y317-R324 HydrophobicContact CD1-CB 3.93Å; Y317-R324 HydrophobicContact CD1-CG 4.5Å; Y317-R324 VanDerWaalsContact CE2-CZ 3.46Å; Y317-R324 VanDerWaalsContact CE2-NH2 3.34Å; Y317-R324 HydrophobicContact CG-CB 3.96Å; E321-R324 WeakPolarHBondContact O-CB 3.29Å; E321-R324 PolarHBondContact O-N 3.46Å; E321-R324 IonicContact OE1-CZ 3.5Å; E321-R324 VanDerWaalsContact OE1-CZ 3.27Å; E321-R324 IonicContact OE1-NE 3.38Å; E321-R324 PolarHBondContact OE1-NE 3.04Å; E321-R324 IonicContact OE1-NH2 2.84Å; E321-R324 PolarHBondContact OE1-NH2 3.18Å; G322-R324 PolarHBondContact O-N 3.25Å; R324-L326 PolarHBondContact O-N 2.63Å; R324-T327 WeakPolarHBondContact O-CB 3.28Å; R324-T327 PolarHBondContact O-N 2.95Å; R324-T327 PolarHBondContact O-OG1 3.43Å
325	M	95.8	Very high	94.5	Very high	19 Å²	19	46.3 Å²	46.3	9%	0.094	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.3	-37.9	169.5	-175.7	-167.1	-66.2	0	0	112.5	I144 Y148 G322 F323 T327 E328 P432	I144-M325 HydrophobicContact CG2-CE 3.95Å; Y148-M325 HydrophobicContact CD1-CB 4.07Å; Y148-M325 HydrophobicContact CD1-CE 4.15Å; Y148-M325 HydrophobicContact CD2-CB 4.09Å; Y148-M325 HydrophobicContact CD2-CE 4.2Å; Y148-M325 HydrophobicContact CD2-CG 4.14Å; Y148-M325 HydrophobicContact CE1-CB 3.95Å; Y148-M325 HydrophobicContact CE2-CB 3.96Å; Y148-M325 HydrophobicContact CE2-CG 4.31Å; Y148-M325 HydrophobicContact CG-CB 4.17Å; Y148-M325 HydrophobicContact CG-CE 3.68Å; Y148-M325 HydrophobicContact CG-CG 4.41Å; Y148-M325 PolarHBondContact OH-N 3.26Å; G322-M325 WeakPolarHBondContact O-CB 3.22Å; G322-M325 PolarHBondContact O-N 3.01Å; F323-M325 PolarHBondContact O-N 2.71Å; F323-M325 VanDerWaalsContact O-N 3.15Å; M325-T327 PolarHBondContact O-N 2.98Å; M325-E328 PolarHBondContact O-N 2.85Å; M325-P432 HydrophobicContact CE-CB 4.06Å; M325-P432 HydrophobicContact SD-CB 4.03Å; M325-P432 HydrophobicContact SD-CG 4.35Å
326	L	96.9	Very high	94.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-71.5	-10.8	179	-64.1	179.9	0	0	0	113.7	F323 R324 L329 P347 F348 N412 L429 A433	F323-L326 HydrophobicContact CD1-CD1 3.93Å; F323-L326 WeakPolarHBondContact O-CB 3.37Å; F323-L326 PolarHBondContact O-N 3.16Å; R324-L326 PolarHBondContact O-N 2.63Å; L326-L329 WeakPolarHBondContact O-CD1 3.4Å; L326-L329 WeakPolarHBondContact O-CG 3.29Å; L326-P347 HydrophobicContact CB-CB 3.61Å; L326-P347 HydrophobicContact CB-CG 3.9Å; L326-P347 HydrophobicContact CD1-CB 4.34Å; L326-F348 HydrophobicContact CB-CE2 4.36Å; L326-N412 HydrophobicContact CD2-CB 4.45Å; L326-N412 WeakPolarHBondContact CD2-OD1 3.47Å; L326-L429 HydrophobicContact CD1-CD2 3.97Å; L326-A433 HydrophobicContact CG-CB 4.4Å
327	T	94.1	Very high	95	Very high	49 Å²	49	48.9 Å²	48.9	30%	0.301	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-89.7	-8.3	170.4	68.8	0	0	0	0	113.2	Y317 R324 M325 F348	Y317-T327 HydrophobicContact CE1-CG2 3.62Å; R324-T327 WeakPolarHBondContact O-CB 3.28Å; R324-T327 PolarHBondContact O-N 2.95Å; R324-T327 PolarHBondContact O-OG1 3.43Å; M325-T327 PolarHBondContact O-N 2.98Å; T327-F348 HydrophobicContact CG2-CB 4.48Å; T327-F348 HydrophobicContact CG2-CD2 3.84Å
328	E	92.4	Very high	95	Very high	87 Å²	87	51 Å²	51	41%	0.407	28%	0.28	S	S	.	.	S	Bend	trans	-107.9	20.9	-178.2	-62.1	177.7	-162.6	0	0	111.8	Y148 R155 M325	Y148-E328 WeakPolarHBondContact CE2-OE2 3.39Å; Y148-E328 PolarHBondContact OH-OE1 3.05Å; R155-E328 IonicContact CZ-OE1 2.76Å; R155-E328 IonicContact CZ-OE2 2.67Å; R155-E328 IonicContact NH1-OE1 2.67Å; R155-E328 PolarHBondContact NH1-OE1 3.11Å; R155-E328 IonicContact NH1-OE2 2.76Å; R155-E328 PolarHBondContact NH1-OE2 2.68Å; R155-E328 IonicContact NH2-OE1 3.06Å; R155-E328 PolarHBondContact NH2-OE1 3.35Å; R155-E328 IonicContact NH2-OE2 3.15Å; R155-E328 PolarHBondContact NH2-OE2 2.73Å; M325-E328 PolarHBondContact O-N 2.85Å
329	L	94.5	Very high	94.9	Very high	21 Å²	21	61 Å²	61	11%	0.11	32%	0.315	C	S	.	.			trans	-66.4	141.2	176.4	-67	174.2	0	0	0	111.9	L326 D331 G332 L334 P347 N412	L326-L329 WeakPolarHBondContact O-CD1 3.4Å; L326-L329 WeakPolarHBondContact O-CG 3.29Å; L329-D331 PolarHBondContact O-N 3.16Å; L329-G332 PolarHBondContact O-N 3.22Å; L329-L334 HydrophobicContact CD1-CD1 4.35Å; L329-L334 HydrophobicContact CD1-CD2 3.74Å; L329-L334 HydrophobicContact CD1-CG 3.74Å; L329-L334 HydrophobicContact CD2-CD2 4.09Å; L329-P347 HydrophobicContact CD1-CG 3.85Å; L329-N412 HydrophobicContact CD2-CB 4Å
330	P	91.6	Very high	95	Very high	128 Å²	128	64.8 Å²	64.8	83%	0.831	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-47.8	-175.9	-27.5	35.3	0	0	0	114.7
331	D	90.2	Very high	95.1	Very high	150 Å²	150	62.6 Å²	62.6	80%	0.802	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	8.4	178.3	-55.5	-65.1	0	0	0	112.3	L329 C333	L329-D331 PolarHBondContact O-N 3.16Å; D331-C333 PolarHBondContact O-N 3.49Å
332	G	93	Very high	95.2	Very high	24 Å²	24	60.3 Å²	60.3	25%	0.247	31%	0.306	C	S	.	.	S	Bend	trans	69.8	-15.5	-179.7	0	0	0	0	0	116.6	L329	L329-G332 PolarHBondContact O-N 3.22Å
333	C	96.5	Very high	95.2	Very high	33 Å²	33	60.9 Å²	60.9	22%	0.223	31%	0.309	C	S	.	.	S	Bend	trans	-140.3	166.1	-177.7	-47.6	0	0	0	0	111.2	D331 L345 C346	D331-C333 PolarHBondContact O-N 3.49Å; C333-L345 CarbonylContact C-O 3.53Å; C333-L345 VanDerWaalsContact CA-O 3.23Å; C333-L345 WeakPolarHBondContact CA-O 3.49Å; C333-L345 WeakPolarHBondContact CB-O 3.09Å; C333-C346 HydrophobicContact CB-CB 3.98Å; C333-C346 WeakPolarHBondContact CB-SG 3.17Å; C333-C346 WeakPolarHBondContact SG-CB 3.46Å; C333-C346 CovalentContact SG-SG 2.04Å; C333-C346 PolarHBondContact SG-SG 3.29Å
334	L	97.4	Very high	95.2	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	173.5	-57.5	175.6	0	0	0	109	L329 L345 N412 L414 L429	L329-L334 HydrophobicContact CD1-CD1 4.35Å; L329-L334 HydrophobicContact CD1-CD2 3.74Å; L329-L334 HydrophobicContact CD1-CG 3.74Å; L329-L334 HydrophobicContact CD2-CD2 4.09Å; L334-L345 PolarHBondContact N-O 3.08Å; L334-L345 PolarHBondContact O-N 3.08Å; L334-N412 HydrophobicContact CD1-CB 4.37Å; L334-N412 HydrophobicContact CD2-CB 4.27Å; L334-L414 HydrophobicContact CB-CG 4.38Å; L334-L429 HydrophobicContact CD1-CD1 3.4Å
335	E	96.5	Very high	95.4	Very high	102 Å²	102	60.7 Å²	60.7	48%	0.477	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.3	179.4	-52.5	-144.2	129.3	0	0	112.6	T342 Y343 S344 K354	E335-T342 HydrophobicContact CB-CG2 4.02Å; E335-T342 HydrophobicContact CG-CG2 4.46Å; E335-Y343 CarbonylContact C-O 3.52Å; E335-Y343 VanDerWaalsContact CA-O 3.23Å; E335-Y343 WeakPolarHBondContact CA-O 3.05Å; E335-S344 WeakPolarHBondContact OE1-CB 3.48Å; E335-S344 PolarHBondContact OE1-OG 3.46Å; E335-K354 IonicContact OE1-NZ 2.67Å; E335-K354 PolarHBondContact OE1-NZ 3.12Å; E335-K354 IonicContact OE2-NZ 2.62Å; E335-K354 PolarHBondContact OE2-NZ 2.75Å
336	L	97.2	Very high	95.5	Very high	42 Å²	42	60.3 Å²	60.3	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.4	167.1	-172.2	69.5	0	0	0	110.2	Y343 L414 V417	L336-Y343 PolarHBondContact N-O 3.48Å; L336-Y343 PolarHBondContact O-N 2.8Å; L336-L414 HydrophobicContact CB-CB 3.94Å; L336-L414 HydrophobicContact CB-CD1 4.05Å; L336-L414 HydrophobicContact CD2-CB 4.25Å; L336-V417 HydrophobicContact CD2-CG2 4.1Å
337	N	96.7	Very high	95.5	Very high	101 Å²	101	60.4 Å²	60.4	54%	0.54	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.9	169.3	-65.7	-40	0	0	0	109.6	Y341 T342 I356	N337-Y341 WeakPolarHBondContact CA-O 3.1Å; N337-T342 WeakPolarHBondContact OD1-CB 3.12Å; N337-T342 WeakPolarHBondContact OD1-CG2 3.17Å; N337-T342 PolarHBondContact OD1-OG1 2.79Å; N337-I356 HydrophobicContact CB-CD1 4.12Å
338	D	95.1	Very high	95.6	Very high	52 Å²	52	58.6 Å²	58.6	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.6	163.9	177.1	53.2	0	0	0	110.3	E340 Y341 Y343	D338-E340 PolarHBondContact O-N 3.21Å; D338-Y341 PolarHBondContact N-O 3.26Å; D338-Y341 PolarHBondContact O-N 2.89Å; D338-Y341 VanDerWaalsContact O-O 3.12Å; D338-Y343 HydrophobicContact CB-CD2 4.5Å; D338-Y343 HydrophobicContact CB-CE2 4.12Å
339	R	93.6	Very high	95.7	Very high	220 Å²	220	59.6 Å²	59.6	83%	0.83	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-92.2	-177.8	-59.6	161.4	-161.7	-149.3	-4.3	113.7
340	E	95.1	Very high	95.8	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-0.8	-172.8	66.9	-166.9	-163.9	0	0	112.5	D338 I356	D338-E340 PolarHBondContact O-N 3.21Å; E340-I356 PolarHBondContact O-N 2.05Å
341	Y	96.5	Very high	96.1	Very high	69 Å²	69	53.6 Å²	53.6	27%	0.271	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.4	-177.9	-57.1	-74	0	0	0	112.8	N337 D338 Q353 K354	N337-Y341 WeakPolarHBondContact CA-O 3.1Å; D338-Y341 PolarHBondContact N-O 3.26Å; D338-Y341 PolarHBondContact O-N 2.89Å; D338-Y341 VanDerWaalsContact O-O 3.12Å; Y341-Q353 HydrophobicContact CD1-CG 3.67Å; Y341-Q353 HydrophobicContact CE1-CG 4.44Å; Y341-Q353 HydrophobicContact CG-CG 3.81Å; Y341-K354 CarbonylContact C-O 3.54Å; Y341-K354 VanDerWaalsContact CA-O 3.3Å; Y341-K354 WeakPolarHBondContact CA-O 3.42Å
342	T	97.1	Very high	96.5	Very high	10 Å²	10	48.3 Å²	48.3	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.1	158.7	-51.6	0	0	0	0	107.9	E335 N337 K354	E335-T342 HydrophobicContact CB-CG2 4.02Å; E335-T342 HydrophobicContact CG-CG2 4.46Å; N337-T342 WeakPolarHBondContact OD1-CB 3.12Å; N337-T342 WeakPolarHBondContact OD1-CG2 3.17Å; N337-T342 PolarHBondContact OD1-OG1 2.79Å; T342-K354 PolarHBondContact N-O 3.11Å; T342-K354 PolarHBondContact O-N 3.45Å
343	Y	97.5	Very high	96.7	Very high	13 Å²	13	48 Å²	48	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137	169.8	-62.7	-84.1	0	0	0	109.3	E335 L336 D338 H352 Q353 I367 V417 Y425 M427	E335-Y343 CarbonylContact C-O 3.52Å; E335-Y343 VanDerWaalsContact CA-O 3.23Å; E335-Y343 WeakPolarHBondContact CA-O 3.05Å; L336-Y343 PolarHBondContact N-O 3.48Å; L336-Y343 PolarHBondContact O-N 2.8Å; D338-Y343 HydrophobicContact CB-CD2 4.5Å; D338-Y343 HydrophobicContact CB-CE2 4.12Å; Y343-H352 CarbonylContact C-O 3.26Å; Y343-H352 WeakPolarHBondContact CA-O 3.49Å; Y343-Q353 HydrophobicContact CD1-CB 4.05Å; Y343-Q353 HydrophobicContact CD1-CG 4.08Å; Y343-Q353 HydrophobicContact CE1-CB 4.03Å; Y343-Q353 HydrophobicContact CE1-CG 3.65Å; Y343-Q353 PolarHBondContact OH-NE2 3.06Å; Y343-Q353 VanDerWaalsContact OH-NE2 3.12Å; Y343-I367 HydrophobicContact CD1-CD1 3.83Å; Y343-I367 HydrophobicContact CE1-CD1 4.18Å; Y343-V417 HydrophobicContact CD1-CG1 3.87Å; Y343-V417 HydrophobicContact CD2-CB 4Å; Y343-V417 HydrophobicContact CD2-CG1 3.95Å; Y343-V417 HydrophobicContact CD2-CG2 4.03Å; Y343-V417 HydrophobicContact CE1-CG1 3.84Å; Y343-V417 HydrophobicContact CE2-CB 4.19Å; Y343-V417 HydrophobicContact CE2-CG1 3.93Å; Y343-V417 HydrophobicContact CG-CB 4.27Å; Y343-V417 HydrophobicContact CG-CG1 3.91Å; Y343-V417 HydrophobicContact CG-CG2 4.02Å; Y343-Y425 HydrophobicContact CE1-CD1 4.38Å; Y343-Y425 HydrophobicContact CE1-CE1 4.49Å; Y343-M427 HydrophobicContact CD1-CE 3.92Å; Y343-M427 HydrophobicContact CG-CE 4.14Å
344	S	97.4	Very high	96.6	Very high	12 Å²	12	48 Å²	48	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.3	179.5	-162.8	0	0	0	0	110	E335 V351 H352	E335-S344 WeakPolarHBondContact OE1-CB 3.48Å; E335-S344 PolarHBondContact OE1-OG 3.46Å; S344-V351 CarbonylContact O-C 3.6Å; S344-V351 VanDerWaalsContact O-CA 3.31Å; S344-V351 WeakPolarHBondContact O-CA 3.05Å; S344-V351 WeakPolarHBondContact O-CG1 3.06Å; S344-H352 PolarHBondContact N-O 3.4Å; S344-H352 PolarHBondContact O-N 3.44Å
345	L	98.1	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.9	175	169.8	60.4	0	0	0	108.9	C333 L334 P347 V351 Y388 V404 L414 L429	C333-L345 CarbonylContact C-O 3.53Å; C333-L345 VanDerWaalsContact CA-O 3.23Å; C333-L345 WeakPolarHBondContact CA-O 3.49Å; C333-L345 WeakPolarHBondContact CB-O 3.09Å; L334-L345 PolarHBondContact N-O 3.08Å; L334-L345 PolarHBondContact O-N 3.08Å; L345-P347 HydrophobicContact CG-CG 4.41Å; L345-P347 WeakPolarHBondContact O-CD 3.31Å; L345-V351 HydrophobicContact CD1-CG2 3.75Å; L345-Y388 HydrophobicContact CD1-CE1 4.2Å; L345-Y388 HydrophobicContact CD1-CE2 3.88Å; L345-V404 HydrophobicContact CD1-CG2 4.05Å; L345-V404 HydrophobicContact CD2-CG1 3.86Å; L345-V404 HydrophobicContact CD2-CG2 4.14Å; L345-L414 HydrophobicContact CB-CD1 4.06Å; L345-L414 HydrophobicContact CD2-CD2 3.84Å; L345-L429 HydrophobicContact CD2-CD2 4.2Å
346	C	97.4	Very high	96.5	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.081	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	98.2	173.4	-57	0	0	0	0	108.4	C333 F348 K349 S350	C333-C346 HydrophobicContact CB-CB 3.98Å; C333-C346 WeakPolarHBondContact CB-SG 3.17Å; C333-C346 WeakPolarHBondContact SG-CB 3.46Å; C333-C346 CovalentContact SG-SG 2.04Å; C333-C346 PolarHBondContact SG-SG 3.29Å; C346-F348 PolarHBondContact O-N 3.19Å; C346-K349 HydrophobicContact CB-CB 4.15Å; C346-K349 WeakPolarHBondContact O-CB 3.34Å; C346-K349 PolarHBondContact O-N 2.69Å; C346-S350 WeakPolarHBondContact CA-O 3.03Å; C346-S350 WeakPolarHBondContact CB-O 3.1Å; C346-S350 PolarHBondContact N-O 3.06Å; C346-S350 PolarHBondContact O-N 2.74Å; C346-S350 VanDerWaalsContact O-O 3.13Å
347	P	96.8	Very high	96.2	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.019	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	138.1	-164.1	-25.3	37.4	0	0	0	112.8	L326 L329 L345 K349	L326-P347 HydrophobicContact CB-CB 3.61Å; L326-P347 HydrophobicContact CB-CG 3.9Å; L326-P347 HydrophobicContact CD1-CB 4.34Å; L329-P347 HydrophobicContact CD1-CG 3.85Å; L345-P347 HydrophobicContact CG-CG 4.41Å; L345-P347 WeakPolarHBondContact O-CD 3.31Å; P347-K349 PolarHBondContact O-N 3.15Å; P347-K349 VanDerWaalsContact O-N 3.11Å
348	F	96	Very high	95.9	Very high	11 Å²	11	48 Å²	48	5%	0.048	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	13.4	-174.7	-55	-82.5	0	0	0	115.2	I315 Y317 F323 L326 T327 C346 W370 W373 M386 Y388	I315-F348 HydrophobicContact CD1-CB 4.4Å; I315-F348 HydrophobicContact CG2-CB 4.22Å; I315-F348 HydrophobicContact CG2-CD1 3.31Å; I315-F348 HydrophobicContact CG2-CE1 3.84Å; I315-F348 HydrophobicContact CG2-CG 3.95Å; Y317-F348 HydrophobicContact CD1-CD1 4.47Å; Y317-F348 HydrophobicContact CD1-CD2 4.15Å; Y317-F348 HydrophobicContact CD1-CE1 4.18Å; Y317-F348 AromaticContact CD1-CE2 3.86Å; Y317-F348 HydrophobicContact CD1-CE2 3.86Å; Y317-F348 HydrophobicContact CD1-CG 4.44Å; Y317-F348 AromaticContact CD1-CZ 3.87Å; Y317-F348 HydrophobicContact CD1-CZ 3.87Å; Y317-F348 HydrophobicContact CE1-CD1 4.22Å; Y317-F348 AromaticContact CE1-CD2 3.83Å; Y317-F348 HydrophobicContact CE1-CD2 3.83Å; Y317-F348 HydrophobicContact CE1-CE1 4.39Å; Y317-F348 HydrophobicContact CE1-CE2 4.04Å; Y317-F348 AromaticContact CE1-CG 3.93Å; Y317-F348 HydrophobicContact CE1-CG 3.93Å; Y317-F348 HydrophobicContact CE1-CZ 4.3Å; F323-F348 HydrophobicContact CB-CE2 3.91Å; F323-F348 HydrophobicContact CB-CZ 3.63Å; F323-F348 WeakPolarHBondContact O-CE2 3.45Å; L326-F348 HydrophobicContact CB-CE2 4.36Å; T327-F348 HydrophobicContact CG2-CB 4.48Å; T327-F348 HydrophobicContact CG2-CD2 3.84Å; C346-F348 PolarHBondContact O-N 3.19Å; F348-W370 VanDerWaalsContact C-CB 3.41Å; F348-W370 HydrophobicContact CB-CG 4.39Å; F348-W370 AromaticContact CD1-CD2 3.85Å; F348-W370 HydrophobicContact CD1-CD2 3.85Å; F348-W370 AromaticContact CD1-CE2 3.59Å; F348-W370 HydrophobicContact CD1-CE3 4.15Å; F348-W370 HydrophobicContact CD1-CG 4.46Å; F348-W370 AromaticContact CD1-CH2 3.96Å; F348-W370 HydrophobicContact CD1-CH2 3.96Å; F348-W370 AromaticContact CD1-CZ2 3.65Å; F348-W370 HydrophobicContact CD1-CZ2 3.65Å; F348-W370 HydrophobicContact CD1-CZ3 4.2Å; F348-W370 AromaticContact CE1-CH2 3.74Å; F348-W370 HydrophobicContact CE1-CH2 3.74Å; F348-W370 AromaticContact CE1-CZ2 3.74Å; F348-W370 HydrophobicContact CE1-CZ2 3.74Å; F348-W370 HydrophobicContact CE1-CZ3 4.19Å; F348-W373 HydrophobicContact CE1-CZ2 4.07Å; F348-W373 AromaticContact CZ-CZ2 3.91Å; F348-W373 HydrophobicContact CZ-CZ2 3.91Å; F348-M386 HydrophobicContact CD1-CE 3.84Å; F348-M386 HydrophobicContact CD2-CE 3.98Å; F348-M386 HydrophobicContact CE1-CE 3.54Å; F348-M386 HydrophobicContact CE2-CE 3.66Å; F348-M386 HydrophobicContact CG-CE 4.06Å; F348-M386 HydrophobicContact CZ-CE 3.44Å; F348-M386 VanDerWaalsContact CZ-CE 3.44Å; F348-Y388 PolarHBondContact N-OH 3.04Å; F348-Y388 VanDerWaalsContact N-OH 3.14Å
349	K	95.3	Very high	95.5	Very high	108 Å²	108	48.9 Å²	48.9	47%	0.47	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-71.3	174.2	-60.8	176.4	-177.8	175.1	0	111.4	C346 P347 W370	C346-K349 HydrophobicContact CB-CB 4.15Å; C346-K349 WeakPolarHBondContact O-CB 3.34Å; C346-K349 PolarHBondContact O-N 2.69Å; P347-K349 PolarHBondContact O-N 3.15Å; P347-K349 VanDerWaalsContact O-N 3.11Å; K349-W370 PolarHBondContact O-N 2.86Å
350	S	96.8	Very high	95	Very high	23 Å²	23	46.2 Å²	46.2	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	166.6	-167.3	44.3	0	0	0	0	112.6	C346 H352 G368	C346-S350 WeakPolarHBondContact CA-O 3.03Å; C346-S350 WeakPolarHBondContact CB-O 3.1Å; C346-S350 PolarHBondContact N-O 3.06Å; C346-S350 PolarHBondContact O-N 2.74Å; C346-S350 VanDerWaalsContact O-O 3.13Å; S350-H352 PolarHBondContact OG-CE1 2.03Å; S350-H352 VanDerWaalsContact OG-CE1 3.28Å; S350-G368 CarbonylContact C-O 3.54Å; S350-G368 VanDerWaalsContact CA-O 3.28Å; S350-G368 WeakPolarHBondContact CA-O 3.14Å; S350-G368 WeakPolarHBondContact CB-O 3.28Å
351	V	98.2	Very high	94.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.1	174.8	-163.6	0	0	0	0	108.6	S344 L345 I367 G368 Y388 T402 M427	S344-V351 CarbonylContact O-C 3.6Å; S344-V351 VanDerWaalsContact O-CA 3.31Å; S344-V351 WeakPolarHBondContact O-CA 3.05Å; S344-V351 WeakPolarHBondContact O-CG1 3.06Å; L345-V351 HydrophobicContact CD1-CG2 3.75Å; V351-I367 HydrophobicContact CB-CD1 4.46Å; V351-I367 HydrophobicContact CB-CG1 3.78Å; V351-I367 HydrophobicContact CG1-CD1 3.76Å; V351-I367 HydrophobicContact CG1-CG1 3.61Å; V351-I367 PolarHBondContact O-N 2.83Å; V351-G368 PolarHBondContact N-O 2.04Å; V351-G368 PolarHBondContact O-N 3.01Å; V351-Y388 HydrophobicContact CG2-CD1 3.55Å; V351-Y388 HydrophobicContact CG2-CD2 3.85Å; V351-Y388 HydrophobicContact CG2-CE1 4.01Å; V351-Y388 HydrophobicContact CG2-CE2 4.27Å; V351-Y388 HydrophobicContact CG2-CG 3.5Å; V351-Y388 VanDerWaalsContact CG2-CG 3.5Å; V351-T402 HydrophobicContact CG1-CG2 4.34Å; V351-T402 HydrophobicContact CG2-CG2 4.31Å; V351-M427 HydrophobicContact CG1-CE 3.43Å; V351-M427 VanDerWaalsContact CG1-CE 3.43Å; V351-M427 HydrophobicContact CG1-SD 3.85Å
352	H	97.7	Very high	94.2	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.181	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.7	-178.9	-58.1	98.6	0	0	0	112.8	Y343 S344 S350 P363 T365	Y343-H352 CarbonylContact C-O 3.26Å; Y343-H352 WeakPolarHBondContact CA-O 3.49Å; S344-H352 PolarHBondContact N-O 3.4Å; S344-H352 PolarHBondContact O-N 3.44Å; S350-H352 PolarHBondContact OG-CE1 2.03Å; S350-H352 VanDerWaalsContact OG-CE1 3.28Å; H352-P363 WeakPolarHBondContact CB-O 3.4Å; H352-T365 CarbonylContact C-O 3.56Å; H352-T365 WeakPolarHBondContact CA-O 3.05Å
353	Q	97	Very high	93.6	Very high	18 Å²	18	46 Å²	46	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.7	175.4	179.3	-172.1	39.7	0	0	108.6	Y341 Y343 G364 T365 I367	Y341-Q353 HydrophobicContact CD1-CG 3.67Å; Y341-Q353 HydrophobicContact CE1-CG 4.44Å; Y341-Q353 HydrophobicContact CG-CG 3.81Å; Y343-Q353 HydrophobicContact CD1-CB 4.05Å; Y343-Q353 HydrophobicContact CD1-CG 4.08Å; Y343-Q353 HydrophobicContact CE1-CB 4.03Å; Y343-Q353 HydrophobicContact CE1-CG 3.65Å; Y343-Q353 PolarHBondContact OH-NE2 3.06Å; Y343-Q353 VanDerWaalsContact OH-NE2 3.12Å; Q353-G364 CarbonylContact O-C 3.58Å; Q353-G364 WeakPolarHBondContact O-CA 3.47Å; Q353-T365 PolarHBondContact N-O 2.9Å; Q353-T365 PolarHBondContact O-N 2.98Å; Q353-I367 HydrophobicContact CB-CD1 4.43Å; Q353-I367 HydrophobicContact CB-CG2 3.68Å
354	K	96	Very high	93.5	Very high	33 Å²	33	45.9 Å²	45.9	14%	0.143	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156.5	174.1	66.4	-166.9	179	-165.4	0	109.8	E335 Y341 T342	E335-K354 IonicContact OE1-NZ 2.67Å; E335-K354 PolarHBondContact OE1-NZ 3.12Å; E335-K354 IonicContact OE2-NZ 2.62Å; E335-K354 PolarHBondContact OE2-NZ 2.75Å; Y341-K354 CarbonylContact C-O 3.54Å; Y341-K354 VanDerWaalsContact CA-O 3.3Å; Y341-K354 WeakPolarHBondContact CA-O 3.42Å; T342-K354 PolarHBondContact N-O 3.11Å; T342-K354 PolarHBondContact O-N 3.45Å
355	S	96.1	Very high	93.4	Very high	65 Å²	65	47.3 Å²	47.3	46%	0.455	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.9	175.2	-61	0	0	0	0	110.5	G357 S358	S355-G357 PolarHBondContact O-N 3.18Å; S355-G357 VanDerWaalsContact O-N 3.15Å; S355-S358 VanDerWaalsContact O-CB 3.28Å; S355-S358 WeakPolarHBondContact O-CB 3.22Å; S355-S358 PolarHBondContact O-N 3.41Å; S355-S358 PolarHBondContact O-OG 2.84Å
356	I	94.4	Very high	93.4	Very high	86 Å²	86	47.7 Å²	47.7	44%	0.441	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	121	174.9	-67.1	171.7	0	0	0	109	N337 E340	N337-I356 HydrophobicContact CB-CD1 4.12Å; E340-I356 PolarHBondContact O-N 2.05Å
357	G	90.3	Very high	93.4	Very high	80 Å²	80	47.1 Å²	47.1	83%	0.825	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	5.3	-174.5	0	0	0	0	0	115.3	S355	S355-G357 PolarHBondContact O-N 3.18Å; S355-G357 VanDerWaalsContact O-N 3.15Å
358	S	90.6	Very high	93.4	Very high	36 Å²	36	47 Å²	47	25%	0.252	29%	0.29	S	S	.	.			trans	-54.4	155.8	161.2	-89.1	0	0	0	0	111.7	S355 D362	S355-S358 VanDerWaalsContact O-CB 3.28Å; S355-S358 WeakPolarHBondContact O-CB 3.22Å; S355-S358 PolarHBondContact O-N 3.41Å; S355-S358 PolarHBondContact O-OG 2.84Å; S358-D362 WeakPolarHBondContact CB-OD2 3.48Å; S358-D362 PolarHBondContact OG-OD2 2.82Å
359	S	88.2	Confident	93.5	Very high	70 Å²	70	52.2 Å²	52.2	49%	0.49	31%	0.309	S	S	.	.			trans	-61.6	150.2	174.2	-176.6	0	0	0	0	111.1	S361 D362	S359-S361 WeakPolarHBondContact CB-OG 2.95Å; S359-S361 PolarHBondContact O-N 2.54Å; S359-S361 VanDerWaalsContact O-N 3.08Å; S359-S361 PolarHBondContact OG-N 3.41Å; S359-S361 VanDerWaalsContact OG-N 3.13Å; S359-S361 PolarHBondContact OG-OG 3.08Å; S359-D362 WeakPolarHBondContact O-CB 2.99Å; S359-D362 PolarHBondContact O-N 3.34Å
360	N	82.3	Confident	93.6	Very high	163 Å²	163	49.1 Å²	49.1	87%	0.872	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.3	167	-69	15.5	0	0	0	113
361	S	86.4	Confident	93.5	Very high	91 Å²	91	49.5 Å²	49.5	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	2.2	171.7	70	0	0	0	0	113.9	S359	S359-S361 WeakPolarHBondContact CB-OG 2.95Å; S359-S361 PolarHBondContact O-N 2.54Å; S359-S361 VanDerWaalsContact O-N 3.08Å; S359-S361 PolarHBondContact OG-N 3.41Å; S359-S361 VanDerWaalsContact OG-N 3.13Å; S359-S361 PolarHBondContact OG-OG 3.08Å
362	D	88.8	Confident	93.3	Very high	61 Å²	61	55 Å²	55	33%	0.326	32%	0.323	S	S	.	.			trans	-96.6	108.6	173.5	173.4	18.4	0	0	0	108.3	S358 S359 G364	S358-D362 WeakPolarHBondContact CB-OD2 3.48Å; S358-D362 PolarHBondContact OG-OD2 2.82Å; S359-D362 WeakPolarHBondContact O-CB 2.99Å; S359-D362 PolarHBondContact O-N 3.34Å; D362-G364 PolarHBondContact O-N 2.99Å; D362-G364 WeakPolarHBondContact OD1-CA 3.33Å; D362-G364 PolarHBondContact OD1-N 3.25Å
363	P	85.2	Confident	93.2	Very high	41 Å²	41	54.1 Å²	54.1	27%	0.266	32%	0.318	S	S	.	.			trans	-69	-15.5	178	30.4	-35.5	0	0	0	112.1	H352	H352-P363 WeakPolarHBondContact CB-O 3.4Å
364	G	93.5	Very high	93.1	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	33%	0.327	C	S	.	.			trans	72.5	-179.5	-175	0	0	0	0	0	113.9	Q353 D362 C366	Q353-G364 CarbonylContact O-C 3.58Å; Q353-G364 WeakPolarHBondContact O-CA 3.47Å; D362-G364 PolarHBondContact O-N 2.99Å; D362-G364 WeakPolarHBondContact OD1-CA 3.33Å; D362-G364 PolarHBondContact OD1-N 3.25Å; G364-C366 PolarHBondContact O-N 2.99Å
365	T	96	Very high	92.7	Very high	41 Å²	41	56.8 Å²	56.8	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	122.4	174.4	-66.2	0	0	0	0	109.6	H352 Q353 I367 Q392 R400	H352-T365 CarbonylContact C-O 3.56Å; H352-T365 WeakPolarHBondContact CA-O 3.05Å; Q353-T365 PolarHBondContact N-O 2.9Å; Q353-T365 PolarHBondContact O-N 2.98Å; T365-I367 HydrophobicContact CG2-CG2 4.08Å; T365-I367 WeakPolarHBondContact O-CG2 3.2Å; T365-I367 PolarHBondContact O-N 2.76Å; T365-Q392 HydrophobicContact CG2-CB 4.37Å; T365-R400 VanDerWaalsContact CG2-CZ 3.49Å
366	C	97.8	Very high	91.8	Very high	9 Å²	9	58 Å²	58	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	117.4	172.3	-175.7	0	0	0	0	109.7	G364 Q392	G364-C366 PolarHBondContact O-N 2.99Å; C366-Q392 HydrophobicContact CB-CB 4.35Å; C366-Q392 WeakPolarHBondContact O-CB 3.11Å; C366-Q392 PolarHBondContact O-N 3.28Å
367	I	97.9	Very high	91	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	1.7	-178.8	69.4	169.8	0	0	0	113.2	Y343 V351 Q353 T365 R400 T401 T402 Y425 M427	Y343-I367 HydrophobicContact CD1-CD1 3.83Å; Y343-I367 HydrophobicContact CE1-CD1 4.18Å; V351-I367 HydrophobicContact CB-CD1 4.46Å; V351-I367 HydrophobicContact CB-CG1 3.78Å; V351-I367 HydrophobicContact CG1-CD1 3.76Å; V351-I367 HydrophobicContact CG1-CG1 3.61Å; V351-I367 PolarHBondContact O-N 2.83Å; Q353-I367 HydrophobicContact CB-CD1 4.43Å; Q353-I367 HydrophobicContact CB-CG2 3.68Å; T365-I367 HydrophobicContact CG2-CG2 4.08Å; T365-I367 WeakPolarHBondContact O-CG2 3.2Å; T365-I367 PolarHBondContact O-N 2.76Å; I367-R400 CarbonylContact O-C 3.59Å; I367-T401 CarbonylContact O-C 3.44Å; I367-T401 VanDerWaalsContact O-C 3.26Å; I367-T401 WeakPolarHBondContact O-CA 3.06Å; I367-T401 PolarHBondContact O-N 3.31Å; I367-T402 WeakPolarHBondContact CG1-OG1 3.28Å; I367-T402 PolarHBondContact O-OG1 2.93Å; I367-Y425 HydrophobicContact CB-CD2 3.73Å; I367-Y425 HydrophobicContact CB-CE2 3.81Å; I367-Y425 HydrophobicContact CD1-CD1 4.24Å; I367-Y425 HydrophobicContact CD1-CD2 3.93Å; I367-Y425 HydrophobicContact CD1-CE2 4.47Å; I367-Y425 HydrophobicContact CD1-CG 3.83Å; I367-Y425 HydrophobicContact CG1-CD2 4.31Å; I367-Y425 HydrophobicContact CG2-CD2 4.26Å; I367-Y425 HydrophobicContact CG2-CE2 3.87Å; I367-M427 HydrophobicContact CD1-CE 3.72Å
368	G	97.6	Very high	90.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	158.9	166.1	0	0	0	0	0	112.8	S350 V351	S350-G368 CarbonylContact C-O 3.54Å; S350-G368 VanDerWaalsContact CA-O 3.28Å; S350-G368 WeakPolarHBondContact CA-O 3.14Å; S350-G368 WeakPolarHBondContact CB-O 3.28Å; V351-G368 PolarHBondContact N-O 2.04Å; V351-G368 PolarHBondContact O-N 3.01Å
369	R	97.3	Very high	89.5	Confident	121 Å²	121	72.1 Å²	72.1	46%	0.457	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.9	171.6	-64.5	179.3	170.5	96.1	-0.5	108.8	G371 Y388 E389 N390	R369-G371 PolarHBondContact O-N 3.39Å; R369-Y388 CarbonylContact O-C 3.41Å; R369-Y388 WeakPolarHBondContact O-CA 3.47Å; R369-E389 WeakPolarHBondContact CA-O 3.35Å; R369-E389 PolarHBondContact N-O 3.1Å; R369-E389 PolarHBondContact O-N 3.06Å; R369-E389 VanDerWaalsContact O-O 3.13Å; R369-N390 PolarHBondContact NH1-O 2.89Å
370	W	96.6	Very high	89.1	Confident	42 Å²	42	75.5 Å²	75.5	16%	0.159	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	123.4	-174.1	164	-102.8	0	0	0	111	F348 K349 W373 M386 Y388	F348-W370 VanDerWaalsContact C-CB 3.41Å; F348-W370 HydrophobicContact CB-CG 4.39Å; F348-W370 AromaticContact CD1-CD2 3.85Å; F348-W370 HydrophobicContact CD1-CD2 3.85Å; F348-W370 AromaticContact CD1-CE2 3.59Å; F348-W370 HydrophobicContact CD1-CE3 4.15Å; F348-W370 HydrophobicContact CD1-CG 4.46Å; F348-W370 AromaticContact CD1-CH2 3.96Å; F348-W370 HydrophobicContact CD1-CH2 3.96Å; F348-W370 AromaticContact CD1-CZ2 3.65Å; F348-W370 HydrophobicContact CD1-CZ2 3.65Å; F348-W370 HydrophobicContact CD1-CZ3 4.2Å; F348-W370 AromaticContact CE1-CH2 3.74Å; F348-W370 HydrophobicContact CE1-CH2 3.74Å; F348-W370 AromaticContact CE1-CZ2 3.74Å; F348-W370 HydrophobicContact CE1-CZ2 3.74Å; F348-W370 HydrophobicContact CE1-CZ3 4.19Å; K349-W370 PolarHBondContact O-N 2.86Å; W370-W373 AromaticContact CH2-CD1 3.95Å; W370-W373 HydrophobicContact CH2-CD2 4.09Å; W370-W373 AromaticContact CH2-CE2 3.91Å; W370-W373 HydrophobicContact CH2-CG 4.12Å; W370-W373 AromaticContact CH2-NE1 3.79Å; W370-M386 HydrophobicContact CE3-CB 4.44Å; W370-M386 HydrophobicContact CE3-CE 3.95Å; W370-M386 HydrophobicContact CH2-CE 4.29Å; W370-M386 HydrophobicContact CZ3-CB 3.8Å; W370-M386 HydrophobicContact CZ3-CE 3.62Å; W370-M386 HydrophobicContact CZ3-CG 4.04Å; W370-Y388 VanDerWaalsContact CA-CD1 3.49Å; W370-Y388 HydrophobicContact CB-CD1 3.97Å; W370-Y388 HydrophobicContact CB-CE1 3.76Å; W370-Y388 HydrophobicContact CE3-CE1 4.32Å; W370-Y388 HydrophobicContact CE3-CE2 4.31Å
371	G	94.6	Very high	89.2	Confident	32 Å²	32	73 Å²	73	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-65.2	173	0	0	0	0	0	111.4	R369 Y387	R369-G371 PolarHBondContact O-N 3.39Å; G371-Y387 PolarHBondContact N-O 3.28Å
372	R	94.4	Very high	89.3	Confident	114 Å²	114	70 Å²	70	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	169.9	-164.7	56.5	-157.2	148	97.6	-1.7	112.7	Y387 E389	R372-Y387 PolarHBondContact N-O 3.35Å; R372-Y387 WeakPolarHBondContact O-CB 3.07Å; R372-Y387 PolarHBondContact O-N 3.33Å; R372-E389 IonicContact CZ-OE1 3.18Å; R372-E389 IonicContact CZ-OE2 3.39Å; R372-E389 IonicContact NE-OE1 2.68Å; R372-E389 PolarHBondContact NE-OE1 2.96Å; R372-E389 IonicContact NE-OE2 2.79Å; R372-E389 VanDerWaalsContact NH2-CD 3.34Å; R372-E389 IonicContact NH2-OE1 2.73Å; R372-E389 PolarHBondContact NH2-OE1 2.87Å; R372-E389 IonicContact NH2-OE2 3.86Å; R372-E389 PolarHBondContact NH2-OE2 3.13Å
373	W	95.9	Very high	89.6	Confident	21 Å²	21	69.3 Å²	69.3	8%	0.08	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.4	159.8	-60.5	103.3	0	0	0	110.8	D316 F323 F348 W370 E375 Y383 V385 M386 V406	D316-W373 PolarHBondContact O-NE1 3.41Å; F323-W373 HydrophobicContact CB-CZ2 4.32Å; F323-W373 AromaticContact CD1-CH2 3.75Å; F323-W373 HydrophobicContact CD1-CH2 3.75Å; F323-W373 HydrophobicContact CD1-CZ2 4.26Å; F323-W373 AromaticContact CD2-CH2 3.91Å; F323-W373 HydrophobicContact CD2-CH2 3.91Å; F323-W373 AromaticContact CD2-CZ2 3.85Å; F323-W373 HydrophobicContact CD2-CZ2 3.85Å; F323-W373 AromaticContact CE1-CH2 3.71Å; F323-W373 HydrophobicContact CE1-CH2 3.71Å; F323-W373 HydrophobicContact CE1-CZ3 4.5Å; F323-W373 AromaticContact CE2-CH2 3.86Å; F323-W373 HydrophobicContact CE2-CH2 3.86Å; F323-W373 HydrophobicContact CE2-CZ2 4.16Å; F323-W373 AromaticContact CG-CH2 3.85Å; F323-W373 HydrophobicContact CG-CH2 3.85Å; F323-W373 AromaticContact CG-CZ2 3.9Å; F323-W373 HydrophobicContact CG-CZ2 3.9Å; F323-W373 AromaticContact CZ-CH2 3.75Å; F323-W373 HydrophobicContact CZ-CH2 3.75Å; F323-W373 HydrophobicContact CZ-CZ2 4.5Å; F323-W373 HydrophobicContact CZ-CZ3 4.38Å; F348-W373 HydrophobicContact CE1-CZ2 4.07Å; F348-W373 AromaticContact CZ-CZ2 3.91Å; F348-W373 HydrophobicContact CZ-CZ2 3.91Å; W370-W373 AromaticContact CH2-CD1 3.95Å; W370-W373 HydrophobicContact CH2-CD2 4.09Å; W370-W373 AromaticContact CH2-CE2 3.91Å; W370-W373 HydrophobicContact CH2-CG 4.12Å; W370-W373 AromaticContact CH2-NE1 3.79Å; W373-E375 WeakPolarHBondContact CB-OE1 3.39Å; W373-Y383 AromaticContact CD1-CD1 3.87Å; W373-Y383 AromaticContact CD2-CD1 3.96Å; W373-Y383 HydrophobicContact CD2-CD1 3.96Å; W373-Y383 AromaticContact CE2-CD1 3.87Å; W373-Y383 AromaticContact CG-CD1 3.99Å; W373-Y383 HydrophobicContact CG-CD1 3.99Å; W373-Y383 HydrophobicContact CZ2-CD1 4.45Å; W373-Y383 WeakPolarHBondContact CZ3-O 3.45Å; W373-Y383 AromaticContact NE1-CD1 3.81Å; W373-V385 WeakPolarHBondContact CA-O 3.36Å; W373-M386 HydrophobicContact CE3-CG 3.91Å; W373-M386 HydrophobicContact CH2-CE 4.33Å; W373-M386 HydrophobicContact CH2-CG 3.58Å; W373-M386 HydrophobicContact CH2-SD 4.31Å; W373-M386 HydrophobicContact CZ2-CE 4.5Å; W373-M386 HydrophobicContact CZ2-CG 4.38Å; W373-M386 HydrophobicContact CZ3-CB 4.35Å; W373-M386 HydrophobicContact CZ3-CG 3.31Å; W373-V406 HydrophobicContact CZ3-CG2 4.21Å
374	L	94.8	Very high	90	Very high	50 Å²	50	73.2 Å²	73.2	26%	0.262	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	161.8	-59.1	173.6	0	0	0	108.1	V385 Y387 K403	L374-V385 HydrophobicContact CB-CB 4.24Å; L374-V385 HydrophobicContact CB-CG1 4.47Å; L374-V385 HydrophobicContact CD1-CG1 4.18Å; L374-V385 PolarHBondContact N-O 2.74Å; L374-Y387 HydrophobicContact CD1-CD2 3.98Å; L374-Y387 HydrophobicContact CD1-CG 3.89Å; L374-Y387 HydrophobicContact CD2-CD1 4.17Å; L374-Y387 HydrophobicContact CD2-CG 4.2Å; L374-Y387 HydrophobicContact CG-CG 4.09Å; L374-K403 HydrophobicContact CD1-CG 4.39Å
375	E	88.6	Confident	90.2	Very high	58 Å²	58	73.6 Å²	73.6	27%	0.271	35%	0.349	S	S	.	.			trans	-104.3	149.7	178.1	-48.6	-59	-179.8	0	0	110.4	W373 K381 S382 Y383	W373-E375 WeakPolarHBondContact CB-OE1 3.39Å; E375-K381 HydrophobicContact CG-CB 4.5Å; E375-K381 HydrophobicContact CG-CG 4.17Å; E375-K381 WeakPolarHBondContact OE1-CB 3.34Å; E375-S382 WeakPolarHBondContact OE2-CA 3.17Å; E375-S382 WeakPolarHBondContact OE2-CB 3.46Å; E375-S382 PolarHBondContact OE2-N 3.41Å; E375-S382 PolarHBondContact OE2-OG 3.36Å; E375-Y383 PolarHBondContact OE2-N 3.27Å
376	S	76.9	Confident	90.3	Very high	91 Å²	91	71.7 Å²	71.7	64%	0.636	34%	0.337	S	S	*	.	S	Bend	trans	-75.5	-30.3	171.5	47.5	0	0	0	0	112.4
377	D	77.6	Confident	90.3	Very high	95 Å²	95	73 Å²	73	51%	0.508	34%	0.341	S	S	.	.	S	Bend	trans	-134.7	134.5	-167.5	-58.8	-88.2	0	0	0	110.2	Y379	D377-Y379 PolarHBondContact O-N 3.22Å
378	E	74.4	Confident	90.3	Very high	181 Å²	181	73 Å²	73	85%	0.846	34%	0.341	S	S	*	.	S	Bend	trans	-66.2	-20.7	-176.5	-168	175.2	-176.4	0	0	113.1
379	Y	75.1	Confident	90.3	Very high	222 Å²	222	74.9 Å²	74.9	87%	0.871	35%	0.35	S	S	*	.	S	Bend	trans	-101.1	-19.9	-174.5	-55.3	-61	0	0	0	114.9	D377	D377-Y379 PolarHBondContact O-N 3.22Å
380	E	79.8	Confident	90.2	Very high	140 Å²	140	74 Å²	74	65%	0.654	36%	0.355	S	S	*	.	S	Bend	trans	-132.1	109.8	-176	-172.2	169	-175.6	0	0	110.4	S382	E380-S382 PolarHBondContact O-N 3.42Å; E380-S382 VanDerWaalsContact O-N 3.16Å
381	K	83.5	Confident	90.2	Very high	111 Å²	111	72.4 Å²	72.4	48%	0.483	35%	0.351	S	S	.	.			trans	-70.1	112.2	175.2	-72.7	-173.8	170.6	-179.7	0	110	D316 E375 Y383	D316-K381 IonicContact OD2-NZ 3.71Å; D316-K381 PolarHBondContact OD2-NZ 2.85Å; E375-K381 HydrophobicContact CG-CB 4.5Å; E375-K381 HydrophobicContact CG-CG 4.17Å; E375-K381 WeakPolarHBondContact OE1-CB 3.34Å; K381-Y383 HydrophobicContact CB-CD2 3.99Å; K381-Y383 HydrophobicContact CB-CE1 4.07Å; K381-Y383 HydrophobicContact CB-CE2 3.42Å; K381-Y383 VanDerWaalsContact CB-CE2 3.42Å; K381-Y383 VanDerWaalsContact CB-CZ 3.48Å; K381-Y383 HydrophobicContact CD-CE1 3.79Å; K381-Y383 HydrophobicContact CD-CE2 4.36Å; K381-Y383 WeakPolarHBondContact CD-OH 3.26Å; K381-Y383 VanDerWaalsContact O-CD2 3.28Å; K381-Y383 WeakPolarHBondContact O-CD2 3.49Å; K381-Y383 WeakPolarHBondContact O-CE2 3.3Å
382	S	89.4	Confident	90.3	Very high	29 Å²	29	74 Å²	74	20%	0.203	35%	0.349	C	S	.	.			trans	-76	-32.7	177.8	75.8	0	0	0	0	112.8	E375 E380 K384	E375-S382 WeakPolarHBondContact OE2-CA 3.17Å; E375-S382 WeakPolarHBondContact OE2-CB 3.46Å; E375-S382 PolarHBondContact OE2-N 3.41Å; E375-S382 PolarHBondContact OE2-OG 3.36Å; E380-S382 PolarHBondContact O-N 3.42Å; E380-S382 VanDerWaalsContact O-N 3.16Å; S382-K384 PolarHBondContact O-N 3.02Å; S382-K384 PolarHBondContact OG-N 3.23Å
383	Y	94.3	Very high	90.3	Very high	45 Å²	45	74 Å²	74	18%	0.176	36%	0.355	C	S	.	.			trans	51.9	28	-170.1	-50.5	-83.4	0	0	0	114.1	G318 P319 W373 E375 K381 V406	G318-Y383 VanDerWaalsContact CA-CE1 3.44Å; P319-Y383 HydrophobicContact CG-CD2 3.74Å; P319-Y383 HydrophobicContact CG-CE2 3.7Å; W373-Y383 AromaticContact CD1-CD1 3.87Å; W373-Y383 AromaticContact CD2-CD1 3.96Å; W373-Y383 HydrophobicContact CD2-CD1 3.96Å; W373-Y383 AromaticContact CE2-CD1 3.87Å; W373-Y383 AromaticContact CG-CD1 3.99Å; W373-Y383 HydrophobicContact CG-CD1 3.99Å; W373-Y383 HydrophobicContact CZ2-CD1 4.45Å; W373-Y383 WeakPolarHBondContact CZ3-O 3.45Å; W373-Y383 AromaticContact NE1-CD1 3.81Å; E375-Y383 PolarHBondContact OE2-N 3.27Å; K381-Y383 HydrophobicContact CB-CD2 3.99Å; K381-Y383 HydrophobicContact CB-CE1 4.07Å; K381-Y383 HydrophobicContact CB-CE2 3.42Å; K381-Y383 VanDerWaalsContact CB-CE2 3.42Å; K381-Y383 VanDerWaalsContact CB-CZ 3.48Å; K381-Y383 HydrophobicContact CD-CE1 3.79Å; K381-Y383 HydrophobicContact CD-CE2 4.36Å; K381-Y383 WeakPolarHBondContact CD-OH 3.26Å; K381-Y383 VanDerWaalsContact O-CD2 3.28Å; K381-Y383 WeakPolarHBondContact O-CD2 3.49Å; K381-Y383 WeakPolarHBondContact O-CE2 3.3Å; Y383-V406 WeakPolarHBondContact O-CG2 3.15Å
384	K	94.9	Very high	90.2	Very high	124 Å²	124	73.5 Å²	73.5	54%	0.539	35%	0.354	S	S	.	.			trans	-88.4	-19.1	-174.3	-73.3	171.3	-169.8	165.8	0	114.6	S382 F405 V406	S382-K384 PolarHBondContact O-N 3.02Å; S382-K384 PolarHBondContact OG-N 3.23Å; K384-F405 WeakPolarHBondContact O-CA 3.18Å; K384-V406 PolarHBondContact O-N 3.22Å
385	V	97.5	Very high	90	Very high	20 Å²	20	82.5 Å²	82.5	12%	0.121	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	113.7	-178.1	-173.1	0	0	0	0	110.9	W373 L374 K403 V404 F405	W373-V385 WeakPolarHBondContact CA-O 3.36Å; L374-V385 HydrophobicContact CB-CB 4.24Å; L374-V385 HydrophobicContact CB-CG1 4.47Å; L374-V385 HydrophobicContact CD1-CG1 4.18Å; L374-V385 PolarHBondContact N-O 2.74Å; V385-K403 HydrophobicContact CG1-CB 4.08Å; V385-V404 CarbonylContact C-O 3.58Å; V385-V404 WeakPolarHBondContact CA-O 3.18Å; V385-F405 HydrophobicContact CG2-CD1 3.62Å; V385-F405 HydrophobicContact CG2-CE1 3.64Å; V385-F405 HydrophobicContact CG2-CG 4.2Å; V385-F405 HydrophobicContact CG2-CZ 4.24Å
386	M	98	Very high	90.2	Very high	0 Å²	0	86.1 Å²	86.1	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.9	166.1	-59	-177.8	94.1	0	0	109.1	F348 W370 W373 Y388 V404 V406	F348-M386 HydrophobicContact CD1-CE 3.84Å; F348-M386 HydrophobicContact CD2-CE 3.98Å; F348-M386 HydrophobicContact CE1-CE 3.54Å; F348-M386 HydrophobicContact CE2-CE 3.66Å; F348-M386 HydrophobicContact CG-CE 4.06Å; F348-M386 HydrophobicContact CZ-CE 3.44Å; F348-M386 VanDerWaalsContact CZ-CE 3.44Å; W370-M386 HydrophobicContact CE3-CB 4.44Å; W370-M386 HydrophobicContact CE3-CE 3.95Å; W370-M386 HydrophobicContact CH2-CE 4.29Å; W370-M386 HydrophobicContact CZ3-CB 3.8Å; W370-M386 HydrophobicContact CZ3-CE 3.62Å; W370-M386 HydrophobicContact CZ3-CG 4.04Å; W373-M386 HydrophobicContact CE3-CG 3.91Å; W373-M386 HydrophobicContact CH2-CE 4.33Å; W373-M386 HydrophobicContact CH2-CG 3.58Å; W373-M386 HydrophobicContact CH2-SD 4.31Å; W373-M386 HydrophobicContact CZ2-CE 4.5Å; W373-M386 HydrophobicContact CZ2-CG 4.38Å; W373-M386 HydrophobicContact CZ3-CB 4.35Å; W373-M386 HydrophobicContact CZ3-CG 3.31Å; M386-Y388 HydrophobicContact CB-CD2 4.35Å; M386-Y388 HydrophobicContact CB-CE2 3.64Å; M386-Y388 VanDerWaalsContact CE-OH 3.27Å; M386-Y388 WeakPolarHBondContact CE-OH 3.26Å; M386-Y388 HydrophobicContact SD-CE2 4.34Å; M386-V404 HydrophobicContact CB-CB 4.19Å; M386-V404 PolarHBondContact N-O 3.14Å; M386-V404 PolarHBondContact O-N 3.19Å; M386-V406 HydrophobicContact CG-CG1 3.95Å; M386-V406 HydrophobicContact SD-CG1 4.2Å
387	Y	98.1	Very high	90.8	Very high	37 Å²	37	83 Å²	83	15%	0.145	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.5	177.8	-177.3	-119.4	0	0	0	111.8	G371 R372 L374 E389 T401 K403	G371-Y387 PolarHBondContact N-O 3.28Å; R372-Y387 PolarHBondContact N-O 3.35Å; R372-Y387 WeakPolarHBondContact O-CB 3.07Å; R372-Y387 PolarHBondContact O-N 3.33Å; L374-Y387 HydrophobicContact CD1-CD2 3.98Å; L374-Y387 HydrophobicContact CD1-CG 3.89Å; L374-Y387 HydrophobicContact CD2-CD1 4.17Å; L374-Y387 HydrophobicContact CD2-CG 4.2Å; L374-Y387 HydrophobicContact CG-CG 4.09Å; Y387-E389 HydrophobicContact CD1-CB 4.22Å; Y387-E389 HydrophobicContact CD1-CG 4.39Å; Y387-E389 HydrophobicContact CE1-CB 3.66Å; Y387-E389 HydrophobicContact CE1-CG 4.15Å; Y387-E389 WeakPolarHBondContact CE1-OE2 3.37Å; Y387-T401 HydrophobicContact CE2-CG2 4.42Å; Y387-T401 WeakPolarHBondContact OH-CG2 3.36Å; Y387-K403 HydrophobicContact CD2-CG 3.75Å; Y387-K403 HydrophobicContact CE2-CG 4.13Å
388	Y	98	Very high	91.6	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.1	178.6	-63.7	-103.6	0	0	0	107.9	L345 F348 V351 R369 W370 M386 T401 T402 V404	L345-Y388 HydrophobicContact CD1-CE1 4.2Å; L345-Y388 HydrophobicContact CD1-CE2 3.88Å; F348-Y388 PolarHBondContact N-OH 3.04Å; F348-Y388 VanDerWaalsContact N-OH 3.14Å; V351-Y388 HydrophobicContact CG2-CD1 3.55Å; V351-Y388 HydrophobicContact CG2-CD2 3.85Å; V351-Y388 HydrophobicContact CG2-CE1 4.01Å; V351-Y388 HydrophobicContact CG2-CE2 4.27Å; V351-Y388 HydrophobicContact CG2-CG 3.5Å; V351-Y388 VanDerWaalsContact CG2-CG 3.5Å; R369-Y388 CarbonylContact O-C 3.41Å; R369-Y388 WeakPolarHBondContact O-CA 3.47Å; W370-Y388 VanDerWaalsContact CA-CD1 3.49Å; W370-Y388 HydrophobicContact CB-CD1 3.97Å; W370-Y388 HydrophobicContact CB-CE1 3.76Å; W370-Y388 HydrophobicContact CE3-CE1 4.32Å; W370-Y388 HydrophobicContact CE3-CE2 4.31Å; M386-Y388 HydrophobicContact CB-CD2 4.35Å; M386-Y388 HydrophobicContact CB-CE2 3.64Å; M386-Y388 VanDerWaalsContact CE-OH 3.27Å; M386-Y388 WeakPolarHBondContact CE-OH 3.26Å; M386-Y388 HydrophobicContact SD-CE2 4.34Å; Y388-T401 CarbonylContact O-C 3.34Å; Y388-T401 VanDerWaalsContact O-CA 3.27Å; Y388-T401 WeakPolarHBondContact O-CA 3.49Å; Y388-T402 PolarHBondContact N-O 2.99Å; Y388-T402 PolarHBondContact O-N 3.15Å; Y388-V404 HydrophobicContact CD2-CG2 3.97Å; Y388-V404 HydrophobicContact CE2-CG2 3.76Å
389	E	96.5	Very high	92.6	Very high	39 Å²	39	75.6 Å²	75.6	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	176	-175.4	54.7	-164	142.9	0	0	110.9	R369 R372 Y387 G391	R369-E389 WeakPolarHBondContact CA-O 3.35Å; R369-E389 PolarHBondContact N-O 3.1Å; R369-E389 PolarHBondContact O-N 3.06Å; R369-E389 VanDerWaalsContact O-O 3.13Å; R372-E389 IonicContact CZ-OE1 3.18Å; R372-E389 IonicContact CZ-OE2 3.39Å; R372-E389 IonicContact NE-OE1 2.68Å; R372-E389 PolarHBondContact NE-OE1 2.96Å; R372-E389 IonicContact NE-OE2 2.79Å; R372-E389 VanDerWaalsContact NH2-CD 3.34Å; R372-E389 IonicContact NH2-OE1 2.73Å; R372-E389 PolarHBondContact NH2-OE1 2.87Å; R372-E389 IonicContact NH2-OE2 3.86Å; R372-E389 PolarHBondContact NH2-OE2 3.13Å; Y387-E389 HydrophobicContact CD1-CB 4.22Å; Y387-E389 HydrophobicContact CD1-CG 4.39Å; Y387-E389 HydrophobicContact CE1-CB 3.66Å; Y387-E389 HydrophobicContact CE1-CG 4.15Å; Y387-E389 WeakPolarHBondContact CE1-OE2 3.37Å; E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.28Å
390	N	95.4	Very high	93.7	Very high	104 Å²	104	66.8 Å²	66.8	56%	0.556	33%	0.325	S	S	*	.			trans	55.1	41.4	176.5	-54.5	-39.5	0	0	0	114.4	R369	R369-N390 PolarHBondContact NH1-O 2.89Å
391	G	96.4	Very high	94.6	Very high	7 Å²	7	60.9 Å²	60.9	7%	0.072	30%	0.299	C	S	.	.			trans	-70.3	-174.1	167	0	0	0	0	0	112.9	E389 T399 R400	E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.28Å; G391-T399 WeakPolarHBondContact O-CG2 3.39Å; G391-R400 WeakPolarHBondContact CA-O 3.42Å; G391-R400 PolarHBondContact N-O 3.06Å
392	Q	96.1	Very high	95.3	Very high	65 Å²	65	55.6 Å²	55.6	30%	0.304	28%	0.276	S	S	.	.	S	Bend	trans	-68.5	138.9	178.5	-164.7	171.8	24.6	0	0	110.9	E200 T365 C366 C394 R400	E200-Q392 PolarHBondContact OE2-NE2 3.36Å; T365-Q392 HydrophobicContact CG2-CB 4.37Å; C366-Q392 HydrophobicContact CB-CB 4.35Å; C366-Q392 WeakPolarHBondContact O-CB 3.11Å; C366-Q392 PolarHBondContact O-N 3.28Å; Q392-C394 PolarHBondContact O-N 3.13Å; Q392-R400 WeakPolarHBondContact O-CB 3.24Å; Q392-R400 VanDerWaalsContact O-CG 3.28Å; Q392-R400 WeakPolarHBondContact O-CG 3.47Å; Q392-R400 PolarHBondContact O-N 2.81Å; Q392-R400 PolarHBondContact O-NH1 3.24Å
393	Q	95.7	Very high	95.8	Very high	116 Å²	116	57 Å²	57	54%	0.542	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-54.1	131.2	-177.5	179.3	54.4	56	0	0	112.1	G397 R400	Q393-G397 PolarHBondContact NE2-O 3.49Å; Q393-R400 PolarHBondContact O-NH1 2.68Å
394	C	93.9	Very high	96	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.061	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-78.6	141.7	175.1	-164.9	0	0	0	0	110.9	Q392 N396 G397 P398 C423	Q392-C394 PolarHBondContact O-N 3.13Å; C394-N396 PolarHBondContact O-N 3.13Å; C394-N396 VanDerWaalsContact O-N 3.09Å; C394-G397 PolarHBondContact O-N 2.9Å; C394-P398 WeakPolarHBondContact CB-O 3.49Å; C394-P398 PolarHBondContact N-O 3.11Å; C394-C423 HydrophobicContact CB-CB 3.5Å; C394-C423 WeakPolarHBondContact CB-SG 3.25Å; C394-C423 WeakPolarHBondContact SG-CB 3.16Å; C394-C423 CovalentContact SG-SG 2.03Å; C394-C423 PolarHBondContact SG-SG 3.43Å
395	W	90.8	Very high	96.2	Very high	239 Å²	239	52.5 Å²	52.5	91%	0.905	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	111.8	173.5	179.3	-97	0	0	0	110.2	G397	W395-G397 PolarHBondContact O-N 3.1Å
396	N	91.7	Very high	96.2	Very high	135 Å²	135	52 Å²	52	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	52.8	-174.9	-165.1	24.8	0	0	0	112.5	C394 R422	C394-N396 PolarHBondContact O-N 3.13Å; C394-N396 VanDerWaalsContact O-N 3.09Å; N396-R422 PolarHBondContact O-NH1 2.92Å
397	G	90.4	Very high	96.1	Very high	25 Å²	25	55.7 Å²	55.7	26%	0.258	27%	0.274	S	S	.	.	S	Bend	trans	-157.6	-174.1	178.5	0	0	0	0	0	111.6	Q393 C394 W395	Q393-G397 PolarHBondContact NE2-O 3.49Å; C394-G397 PolarHBondContact O-N 2.9Å; W395-G397 PolarHBondContact O-N 3.1Å
398	P	94.1	Very high	96	Very high	63 Å²	63	54.4 Å²	54.4	41%	0.409	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.2	169.6	176.5	31.5	-36.3	0	0	0	112.1	C394 C423	C394-P398 WeakPolarHBondContact CB-O 3.49Å; C394-P398 PolarHBondContact N-O 3.11Å; P398-C423 HydrophobicContact CG-CB 4.34Å
399	T	95.9	Very high	95.9	Very high	58 Å²	58	54.4 Å²	54.4	36%	0.356	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-57.7	135.3	159.9	-45.3	0	0	0	0	109	G391	G391-T399 WeakPolarHBondContact O-CG2 3.39Å
400	R	98.2	Very high	96	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63	141.3	-176.9	-78.1	-178.8	-178.7	86.6	-11.3	112.6	T365 I367 G391 Q392 Q393 C423 Y425	T365-R400 VanDerWaalsContact CG2-CZ 3.49Å; I367-R400 CarbonylContact O-C 3.59Å; G391-R400 WeakPolarHBondContact CA-O 3.42Å; G391-R400 PolarHBondContact N-O 3.06Å; Q392-R400 WeakPolarHBondContact O-CB 3.24Å; Q392-R400 VanDerWaalsContact O-CG 3.28Å; Q392-R400 WeakPolarHBondContact O-CG 3.47Å; Q392-R400 PolarHBondContact O-N 2.81Å; Q392-R400 PolarHBondContact O-NH1 3.24Å; Q393-R400 PolarHBondContact O-NH1 2.68Å; R400-C423 WeakPolarHBondContact CA-O 3.45Å; R400-C423 HydrophobicContact CG-CB 3.65Å; R400-Y425 HydrophobicContact CG-CE2 4.08Å
401	T	98.4	Very high	96.1	Very high	17 Å²	17	52 Å²	52	10%	0.104	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.5	175.6	71	0	0	0	0	111.2	I367 Y387 Y388 C423 Y425	I367-T401 CarbonylContact O-C 3.44Å; I367-T401 VanDerWaalsContact O-C 3.26Å; I367-T401 WeakPolarHBondContact O-CA 3.06Å; I367-T401 PolarHBondContact O-N 3.31Å; Y387-T401 HydrophobicContact CE2-CG2 4.42Å; Y387-T401 WeakPolarHBondContact OH-CG2 3.36Å; Y388-T401 CarbonylContact O-C 3.34Å; Y388-T401 VanDerWaalsContact O-CA 3.27Å; Y388-T401 WeakPolarHBondContact O-CA 3.49Å; T401-C423 PolarHBondContact N-O 2.03Å; T401-C423 VanDerWaalsContact N-O 3.13Å; T401-Y425 WeakPolarHBondContact O-CD2 3.33Å; T401-Y425 PolarHBondContact O-N 2.91Å
402	T	98.6	Very high	96.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.1	176.4	-56.7	0	0	0	0	111.1	V351 I367 Y388 V404 Y425 M427	V351-T402 HydrophobicContact CG1-CG2 4.34Å; V351-T402 HydrophobicContact CG2-CG2 4.31Å; I367-T402 WeakPolarHBondContact CG1-OG1 3.28Å; I367-T402 PolarHBondContact O-OG1 2.93Å; Y388-T402 PolarHBondContact N-O 2.99Å; Y388-T402 PolarHBondContact O-N 3.15Å; T402-V404 HydrophobicContact CG2-CG2 4.06Å; T402-Y425 CarbonylContact C-O 3.5Å; T402-Y425 WeakPolarHBondContact CA-O 3.46Å; T402-M427 HydrophobicContact CG2-CE 4.15Å; T402-M427 HydrophobicContact CG2-CG 3.74Å; T402-M427 HydrophobicContact CG2-SD 3.96Å
403	K	98.7	Very high	96.2	Very high	57 Å²	57	54.2 Å²	54.2	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.1	171.5	-67.2	157.3	-175.8	153	0	108.7	L374 V385 Y387 F405 E424 Y425 V426 M427	L374-K403 HydrophobicContact CD1-CG 4.39Å; V385-K403 HydrophobicContact CG1-CB 4.08Å; Y387-K403 HydrophobicContact CD2-CG 3.75Å; Y387-K403 HydrophobicContact CE2-CG 4.13Å; K403-F405 HydrophobicContact CB-CE2 4.15Å; K403-E424 IonicContact NZ-OE2 2.69Å; K403-E424 PolarHBondContact NZ-OE2 3.48Å; K403-Y425 PolarHBondContact N-O 2.74Å; K403-V426 CarbonylContact O-C 3.55Å; K403-V426 WeakPolarHBondContact O-CA 3.49Å; K403-M427 PolarHBondContact O-N 3.06Å
404	V	98.7	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.3	175.2	-171.5	0	0	0	0	108.5	L345 V385 M386 Y388 T402 V406 M427 L429	L345-V404 HydrophobicContact CD1-CG2 4.05Å; L345-V404 HydrophobicContact CD2-CG1 3.86Å; L345-V404 HydrophobicContact CD2-CG2 4.14Å; V385-V404 CarbonylContact C-O 3.58Å; V385-V404 WeakPolarHBondContact CA-O 3.18Å; M386-V404 HydrophobicContact CB-CB 4.19Å; M386-V404 PolarHBondContact N-O 3.14Å; M386-V404 PolarHBondContact O-N 3.19Å; Y388-V404 HydrophobicContact CD2-CG2 3.97Å; Y388-V404 HydrophobicContact CE2-CG2 3.76Å; T402-V404 HydrophobicContact CG2-CG2 4.06Å; V404-V406 HydrophobicContact CG1-CG1 4.47Å; V404-M427 WeakPolarHBondContact CA-O 3.37Å; V404-M427 HydrophobicContact CB-CB 4.37Å; V404-M427 HydrophobicContact CG1-CB 4.14Å; V404-M427 HydrophobicContact CG2-CB 4.11Å; V404-M427 HydrophobicContact CG2-CG 4.41Å; V404-M427 HydrophobicContact CG2-SD 4.34Å; V404-L429 HydrophobicContact CG1-CB 3.62Å; V404-L429 HydrophobicContact CG1-CD2 4.35Å
405	F	98.3	Very high	96.5	Very high	76 Å²	76	52.2 Å²	52.2	33%	0.333	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.8	172.7	-69.4	-102.9	0	0	0	108.7	K384 V385 K403 V426 M427 L429	K384-F405 WeakPolarHBondContact O-CA 3.18Å; V385-F405 HydrophobicContact CG2-CD1 3.62Å; V385-F405 HydrophobicContact CG2-CE1 3.64Å; V385-F405 HydrophobicContact CG2-CG 4.2Å; V385-F405 HydrophobicContact CG2-CZ 4.24Å; K403-F405 HydrophobicContact CB-CE2 4.15Å; F405-V426 HydrophobicContact CD2-CG1 3.87Å; F405-V426 HydrophobicContact CE2-CG1 3.79Å; F405-V426 HydrophobicContact CE2-CG2 4.45Å; F405-M427 PolarHBondContact N-O 3.16Å; F405-L429 PolarHBondContact O-N 2.87Å
406	V	97.6	Very high	96.9	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135	-175.4	-49.7	0	0	0	0	110.8	F323 W373 Y383 K384 M386 V404 L429 A434	F323-V406 HydrophobicContact CE1-CB 4.34Å; F323-V406 HydrophobicContact CE1-CG2 3.88Å; F323-V406 HydrophobicContact CZ-CG2 3.89Å; W373-V406 HydrophobicContact CZ3-CG2 4.21Å; Y383-V406 WeakPolarHBondContact O-CG2 3.15Å; K384-V406 PolarHBondContact O-N 3.22Å; M386-V406 HydrophobicContact CG-CG1 3.95Å; M386-V406 HydrophobicContact SD-CG1 4.2Å; V404-V406 HydrophobicContact CG1-CG1 4.47Å; V406-L429 WeakPolarHBondContact CA-O 3.45Å; V406-L429 HydrophobicContact CG1-CB 4.35Å; V406-L429 HydrophobicContact CG1-CD2 3.98Å; V406-A434 HydrophobicContact CG2-CB 4.2Å
407	H	95.9	Very high	97.1	Very high	76 Å²	76	37.6 Å²	37.6	35%	0.352	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.4	-175.2	-55.4	-93.3	0	0	0	111	G409 Q428 L429 I430 T431	H407-G409 PolarHBondContact O-N 3.35Å; H407-Q428 PolarHBondContact NE2-OE1 3.07Å; H407-L429 PolarHBondContact N-O 3.15Å; H407-I430 HydrophobicContact CB-CD1 3.87Å; H407-I430 WeakPolarHBondContact O-CA 3.37Å; H407-T431 PolarHBondContact O-N 2.77Å
408	C	96.4	Very high	97.5	Very high	11 Å²	11	39.1 Å²	39.1	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.6	174.4	172	0	0	0	0	112	K134 C435 L442	K134-C408 PolarHBondContact NZ-O 2.6Å; C408-C435 WeakPolarHBondContact CA-SG 3.33Å; C408-C435 HydrophobicContact CB-CB 4Å; C408-C435 WeakPolarHBondContact CB-SG 3.26Å; C408-C435 VanDerWaalsContact SG-CA 3.55Å; C408-C435 WeakPolarHBondContact SG-CB 3.41Å; C408-C435 CovalentContact SG-SG 2.03Å; C408-C435 PolarHBondContact SG-SG 3.35Å; C408-L442 HydrophobicContact CB-CD2 3.67Å
409	G	96.7	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.			trans	-166.8	-174.5	167.1	0	0	0	0	0	111.6	Q137 G141 H407 T431 P432 C435	Q137-G409 CarbonylContact O-C 3.56Å; G141-G409 VanDerWaalsContact CA-O 3.25Å; G141-G409 WeakPolarHBondContact CA-O 3.5Å; H407-G409 PolarHBondContact O-N 3.35Å; G409-T431 PolarHBondContact N-O 2.59Å; G409-T431 CarbonylContact O-C 3.57Å; G409-P432 WeakPolarHBondContact O-CA 3.37Å; G409-P432 WeakPolarHBondContact O-CG 3.45Å; G409-P432 VanDerWaalsContact O-N 3.12Å; G409-C435 PolarHBondContact N-SG 3.02Å
410	D	97.4	Very high	97.6	Very high	47 Å²	47	41.8 Å²	41.8	25%	0.251	23%	0.229	S	C	.	.	S	Bend	trans	-82.2	-11.4	-171.9	53	24.5	0	0	0	115.3	Q137 Q140 I144	Q137-D410 PolarHBondContact O-N 2.9Å; Q140-D410 HydrophobicContact CB-CB 3.98Å; I144-D410 VanDerWaalsContact CD1-O 3.27Å; I144-D410 WeakPolarHBondContact CD1-O 3.45Å
411	S	97.4	Very high	97.5	Very high	46 Å²	46	43 Å²	43	32%	0.322	24%	0.243	S	C	.	.	S	Bend	trans	-149.1	150.5	-165.7	51.3	0	0	0	0	112.2	H413 I430	S411-H413 PolarHBondContact OG-CE1 3.08Å; S411-H413 VanDerWaalsContact OG-CE1 3.31Å; S411-H413 PolarHBondContact OG-ND1 3.34Å; S411-H413 VanDerWaalsContact OG-ND1 3.11Å; S411-I430 CarbonylContact O-C 3.47Å; S411-I430 VanDerWaalsContact O-C 3.26Å
412	N	98	Very high	97.3	Very high	45 Å²	45	49.5 Å²	49.5	24%	0.241	27%	0.265	C	S	.	.			trans	-88.9	103.1	179.5	-69	-41.2	0	0	0	110.5	L326 L329 L334 I430 T431 P432	L326-N412 HydrophobicContact CD2-CB 4.45Å; L326-N412 WeakPolarHBondContact CD2-OD1 3.47Å; L329-N412 HydrophobicContact CD2-CB 4Å; L334-N412 HydrophobicContact CD1-CB 4.37Å; L334-N412 HydrophobicContact CD2-CB 4.27Å; N412-I430 WeakPolarHBondContact CA-O 3.29Å; N412-T431 WeakPolarHBondContact OD1-CB 2.98Å; N412-T431 PolarHBondContact OD1-OG1 3.31Å; N412-P432 WeakPolarHBondContact OD1-CD 3.06Å
413	H	97.7	Very high	97.2	Very high	72 Å²	72	49.7 Å²	49.7	33%	0.333	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	149.2	176.7	64.3	-87.1	0	0	0	113.3	S411 T415 I430	S411-H413 PolarHBondContact OG-CE1 3.08Å; S411-H413 VanDerWaalsContact OG-CE1 3.31Å; S411-H413 PolarHBondContact OG-ND1 3.34Å; S411-H413 VanDerWaalsContact OG-ND1 3.11Å; H413-T415 WeakPolarHBondContact NE2-CG2 3Å; H413-I430 PolarHBondContact N-O 2.75Å; H413-I430 PolarHBondContact O-N 3.32Å
414	L	98.4	Very high	97.2	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.1	167.9	-70.4	175.5	0	0	0	109.9	L334 L336 L345 M427 Q428 L429	L334-L414 HydrophobicContact CB-CG 4.38Å; L336-L414 HydrophobicContact CB-CB 3.94Å; L336-L414 HydrophobicContact CB-CD1 4.05Å; L336-L414 HydrophobicContact CD2-CB 4.25Å; L345-L414 HydrophobicContact CB-CD1 4.06Å; L345-L414 HydrophobicContact CD2-CD2 3.84Å; L414-M427 HydrophobicContact CD1-SD 4.39Å; L414-M427 HydrophobicContact CD2-CB 4.24Å; L414-M427 HydrophobicContact CD2-SD 4.42Å; L414-Q428 CarbonylContact C-O 3.59Å; L414-Q428 WeakPolarHBondContact CA-O 3.49Å; L414-L429 HydrophobicContact CD2-CB 4.26Å; L414-L429 HydrophobicContact CD2-CD1 4.41Å
415	T	97.6	Very high	97.1	Very high	73 Å²	73	50.3 Å²	50.3	45%	0.448	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-27.6	177.5	47.1	0	0	0	0	113.8	H413 Q428 I430	H413-T415 WeakPolarHBondContact NE2-CG2 3Å; T415-Q428 PolarHBondContact N-O 2.97Å; T415-Q428 VanDerWaalsContact OG1-CB 3.32Å; T415-Q428 WeakPolarHBondContact OG1-CB 3.37Å; T415-Q428 PolarHBondContact OG1-O 3.13Å; T415-I430 HydrophobicContact CG2-CD1 4.27Å; T415-I430 HydrophobicContact CG2-CG1 3.59Å
416	S	98	Very high	97.2	Very high	55 Å²	55	48 Å²	48	39%	0.385	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.5	171.7	63.8	0	0	0	0	112.7	M427 Q428	S416-M427 WeakPolarHBondContact O-CA 3.24Å; S416-Q428 PolarHBondContact O-N 3.01Å; S416-Q428 WeakPolarHBondContact OG-CG 3.11Å
417	V	97.9	Very high	97.2	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.8	170.1	-179.7	0	0	0	0	108.4	L336 Y343 V426 M427	L336-V417 HydrophobicContact CD2-CG2 4.1Å; Y343-V417 HydrophobicContact CD1-CG1 3.87Å; Y343-V417 HydrophobicContact CD2-CB 4Å; Y343-V417 HydrophobicContact CD2-CG1 3.95Å; Y343-V417 HydrophobicContact CD2-CG2 4.03Å; Y343-V417 HydrophobicContact CE1-CG1 3.84Å; Y343-V417 HydrophobicContact CE2-CB 4.19Å; Y343-V417 HydrophobicContact CE2-CG1 3.93Å; Y343-V417 HydrophobicContact CG-CB 4.27Å; Y343-V417 HydrophobicContact CG-CG1 3.91Å; Y343-V417 HydrophobicContact CG-CG2 4.02Å; V417-V426 CarbonylContact C-O 3.53Å; V417-V426 VanDerWaalsContact CA-O 3.31Å; V417-V426 WeakPolarHBondContact CA-O 3.4Å; V417-M427 HydrophobicContact CB-CG 4.45Å; V417-M427 HydrophobicContact CG1-CE 3.84Å; V417-M427 HydrophobicContact CG1-CG 4.15Å; V417-M427 HydrophobicContact CG2-CB 4.38Å; V417-M427 HydrophobicContact CG2-CE 3.84Å; V417-M427 HydrophobicContact CG2-CG 3.86Å; V417-M427 HydrophobicContact CG2-SD 4.1Å
418	S	97.4	Very high	97.3	Very high	57 Å²	57	46 Å²	46	40%	0.399	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158	171.5	62.9	0	0	0	0	112	P420 Y425 V426	S418-P420 VanDerWaalsContact C-CD 3.48Å; S418-P420 WeakPolarHBondContact O-CD 2.98Å; S418-Y425 CarbonylContact O-C 3.26Å; S418-Y425 WeakPolarHBondContact O-CA 3.4Å; S418-V426 PolarHBondContact N-O 3.01Å; S418-V426 PolarHBondContact O-N 2.98Å
419	E	96.8	Very high	97.4	Very high	88 Å²	88	45.4 Å²	45.4	41%	0.411	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	79.8	172.1	-171.4	-179.2	151.2	0	0	108.6	S421 R422 C423 Y425	E419-S421 VanDerWaalsContact C-N 3.3Å; E419-S421 VanDerWaalsContact CG-O 3.29Å; E419-S421 WeakPolarHBondContact CG-O 3.49Å; E419-S421 PolarHBondContact O-N 3.22Å; E419-R422 WeakPolarHBondContact OE1-CA 3.45Å; E419-C423 PolarHBondContact OE1-N 3.19Å; E419-Y425 HydrophobicContact CB-CD1 3.89Å; E419-Y425 HydrophobicContact CB-CE1 3.77Å; E419-Y425 HydrophobicContact CG-CD1 4.09Å; E419-Y425 HydrophobicContact CG-CE1 3.71Å; E419-Y425 WeakPolarHBondContact OE2-CE1 3.29Å; E419-Y425 PolarHBondContact OE2-OH 3.06Å
420	P	96.1	Very high	97.5	Very high	88 Å²	88	46.6 Å²	46.6	57%	0.571	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-25	-177.4	26.5	-36.2	0	0	0	113.9	S418 E424 V426	S418-P420 VanDerWaalsContact C-CD 3.48Å; S418-P420 WeakPolarHBondContact O-CD 2.98Å; P420-E424 WeakPolarHBondContact CD-O 3.25Å; P420-V426 HydrophobicContact CG-CB 4.46Å; P420-V426 HydrophobicContact CG-CG2 3.8Å
421	S	95.6	Very high	97.5	Very high	63 Å²	63	44.3 Å²	44.3	44%	0.441	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	174.2	-76.2	0	0	0	0	108.7	E419 C423 E424	E419-S421 VanDerWaalsContact C-N 3.3Å; E419-S421 VanDerWaalsContact CG-O 3.29Å; E419-S421 WeakPolarHBondContact CG-O 3.49Å; E419-S421 PolarHBondContact O-N 3.22Å; S421-C423 PolarHBondContact O-N 2.95Å; S421-E424 PolarHBondContact O-N 3.13Å
422	R	95	Very high	97.6	Very high	152 Å²	152	42.3 Å²	42.3	57%	0.574	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	117.9	-178.5	172.2	179.2	-69.9	173.6	2.7	111	N396 E419 E424	N396-R422 PolarHBondContact O-NH1 2.92Å; E419-R422 WeakPolarHBondContact OE1-CA 3.45Å; R422-E424 PolarHBondContact O-N 3.39Å
423	C	96.2	Very high	97.6	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	18.5	178	-72.4	0	0	0	0	115.4	C394 P398 R400 T401 E419 S421	C394-C423 HydrophobicContact CB-CB 3.5Å; C394-C423 WeakPolarHBondContact CB-SG 3.25Å; C394-C423 WeakPolarHBondContact SG-CB 3.16Å; C394-C423 CovalentContact SG-SG 2.03Å; C394-C423 PolarHBondContact SG-SG 3.43Å; P398-C423 HydrophobicContact CG-CB 4.34Å; R400-C423 WeakPolarHBondContact CA-O 3.45Å; R400-C423 HydrophobicContact CG-CB 3.65Å; T401-C423 PolarHBondContact N-O 2.03Å; T401-C423 VanDerWaalsContact N-O 3.13Å; E419-C423 PolarHBondContact OE1-N 3.19Å; S421-C423 PolarHBondContact O-N 2.95Å
424	E	97.6	Very high	97.5	Very high	66 Å²	66	37.8 Å²	37.8	31%	0.308	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.8	161.8	-66.7	-171.5	-137.2	0	0	109.4	K403 P420 S421 R422	K403-E424 IonicContact NZ-OE2 2.69Å; K403-E424 PolarHBondContact NZ-OE2 3.48Å; P420-E424 WeakPolarHBondContact CD-O 3.25Å; S421-E424 PolarHBondContact O-N 3.13Å; R422-E424 PolarHBondContact O-N 3.39Å
425	Y	98.3	Very high	97.4	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.4	-179	-58.1	-85.8	0	0	0	111.3	Y343 I367 R400 T401 T402 K403 S418 E419	Y343-Y425 HydrophobicContact CE1-CD1 4.38Å; Y343-Y425 HydrophobicContact CE1-CE1 4.49Å; I367-Y425 HydrophobicContact CB-CD2 3.73Å; I367-Y425 HydrophobicContact CB-CE2 3.81Å; I367-Y425 HydrophobicContact CD1-CD1 4.24Å; I367-Y425 HydrophobicContact CD1-CD2 3.93Å; I367-Y425 HydrophobicContact CD1-CE2 4.47Å; I367-Y425 HydrophobicContact CD1-CG 3.83Å; I367-Y425 HydrophobicContact CG1-CD2 4.31Å; I367-Y425 HydrophobicContact CG2-CD2 4.26Å; I367-Y425 HydrophobicContact CG2-CE2 3.87Å; R400-Y425 HydrophobicContact CG-CE2 4.08Å; T401-Y425 WeakPolarHBondContact O-CD2 3.33Å; T401-Y425 PolarHBondContact O-N 2.91Å; T402-Y425 CarbonylContact C-O 3.5Å; T402-Y425 WeakPolarHBondContact CA-O 3.46Å; K403-Y425 PolarHBondContact N-O 2.74Å; S418-Y425 CarbonylContact O-C 3.26Å; S418-Y425 WeakPolarHBondContact O-CA 3.4Å; E419-Y425 HydrophobicContact CB-CD1 3.89Å; E419-Y425 HydrophobicContact CB-CE1 3.77Å; E419-Y425 HydrophobicContact CG-CD1 4.09Å; E419-Y425 HydrophobicContact CG-CE1 3.71Å; E419-Y425 WeakPolarHBondContact OE2-CE1 3.29Å; E419-Y425 PolarHBondContact OE2-OH 3.06Å
426	V	98.6	Very high	97.3	Very high	27 Å²	27	35.8 Å²	35.8	16%	0.164	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.8	171.4	169.9	0	0	0	0	108.3	K403 F405 V417 S418 P420	K403-V426 CarbonylContact O-C 3.55Å; K403-V426 WeakPolarHBondContact O-CA 3.49Å; F405-V426 HydrophobicContact CD2-CG1 3.87Å; F405-V426 HydrophobicContact CE2-CG1 3.79Å; F405-V426 HydrophobicContact CE2-CG2 4.45Å; V417-V426 CarbonylContact C-O 3.53Å; V417-V426 VanDerWaalsContact CA-O 3.31Å; V417-V426 WeakPolarHBondContact CA-O 3.4Å; S418-V426 PolarHBondContact N-O 3.01Å; S418-V426 PolarHBondContact O-N 2.98Å; P420-V426 HydrophobicContact CG-CB 4.46Å; P420-V426 HydrophobicContact CG-CG2 3.8Å
427	M	98.6	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.1	175.8	-52.9	-167.4	161.8	0	0	110.7	Y343 V351 I367 T402 K403 V404 F405 L414 S416 V417	Y343-M427 HydrophobicContact CD1-CE 3.92Å; Y343-M427 HydrophobicContact CG-CE 4.14Å; V351-M427 HydrophobicContact CG1-CE 3.43Å; V351-M427 VanDerWaalsContact CG1-CE 3.43Å; V351-M427 HydrophobicContact CG1-SD 3.85Å; I367-M427 HydrophobicContact CD1-CE 3.72Å; T402-M427 HydrophobicContact CG2-CE 4.15Å; T402-M427 HydrophobicContact CG2-CG 3.74Å; T402-M427 HydrophobicContact CG2-SD 3.96Å; K403-M427 PolarHBondContact O-N 3.06Å; V404-M427 WeakPolarHBondContact CA-O 3.37Å; V404-M427 HydrophobicContact CB-CB 4.37Å; V404-M427 HydrophobicContact CG1-CB 4.14Å; V404-M427 HydrophobicContact CG2-CB 4.11Å; V404-M427 HydrophobicContact CG2-CG 4.41Å; V404-M427 HydrophobicContact CG2-SD 4.34Å; F405-M427 PolarHBondContact N-O 3.16Å; L414-M427 HydrophobicContact CD1-SD 4.39Å; L414-M427 HydrophobicContact CD2-CB 4.24Å; L414-M427 HydrophobicContact CD2-SD 4.42Å; S416-M427 WeakPolarHBondContact O-CA 3.24Å; V417-M427 HydrophobicContact CB-CG 4.45Å; V417-M427 HydrophobicContact CG1-CE 3.84Å; V417-M427 HydrophobicContact CG1-CG 4.15Å; V417-M427 HydrophobicContact CG2-CB 4.38Å; V417-M427 HydrophobicContact CG2-CE 3.84Å; V417-M427 HydrophobicContact CG2-CG 3.86Å; V417-M427 HydrophobicContact CG2-SD 4.1Å
428	Q	98.5	Very high	96.9	Very high	44 Å²	44	38.9 Å²	38.9	21%	0.206	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.8	173.9	-55.5	-60.6	-49.1	0	0	109.1	H407 L414 T415 S416	H407-Q428 PolarHBondContact NE2-OE1 3.07Å; L414-Q428 CarbonylContact C-O 3.59Å; L414-Q428 WeakPolarHBondContact CA-O 3.49Å; T415-Q428 PolarHBondContact N-O 2.97Å; T415-Q428 VanDerWaalsContact OG1-CB 3.32Å; T415-Q428 WeakPolarHBondContact OG1-CB 3.37Å; T415-Q428 PolarHBondContact OG1-O 3.13Å; S416-Q428 PolarHBondContact O-N 3.01Å; S416-Q428 WeakPolarHBondContact OG-CG 3.11Å
429	L	98.6	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	-179.6	173.2	63.2	0	0	0	110.1	L326 L334 L345 V404 F405 V406 H407 L414 T431	L326-L429 HydrophobicContact CD1-CD2 3.97Å; L334-L429 HydrophobicContact CD1-CD1 3.4Å; L345-L429 HydrophobicContact CD2-CD2 4.2Å; V404-L429 HydrophobicContact CG1-CB 3.62Å; V404-L429 HydrophobicContact CG1-CD2 4.35Å; F405-L429 PolarHBondContact O-N 2.87Å; V406-L429 WeakPolarHBondContact CA-O 3.45Å; V406-L429 HydrophobicContact CG1-CB 4.35Å; V406-L429 HydrophobicContact CG1-CD2 3.98Å; H407-L429 PolarHBondContact N-O 3.15Å; L414-L429 HydrophobicContact CD2-CB 4.26Å; L414-L429 HydrophobicContact CD2-CD1 4.41Å; L429-T431 HydrophobicContact CD2-CG2 4.2Å; L429-T431 HydrophobicContact CG-CG2 4.17Å
430	I	98.1	Very high	96.6	Very high	24 Å²	24	36.2 Å²	36.2	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.5	163.1	-50.9	-54.2	0	0	0	108.2	H407 S411 N412 H413 T415	H407-I430 HydrophobicContact CB-CD1 3.87Å; H407-I430 WeakPolarHBondContact O-CA 3.37Å; S411-I430 CarbonylContact O-C 3.47Å; S411-I430 VanDerWaalsContact O-C 3.26Å; N412-I430 WeakPolarHBondContact CA-O 3.29Å; H413-I430 PolarHBondContact N-O 2.75Å; H413-I430 PolarHBondContact O-N 3.32Å; T415-I430 HydrophobicContact CG2-CD1 4.27Å; T415-I430 HydrophobicContact CG2-CG1 3.59Å
431	T	98.2	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	143.1	176.7	176.4	0	0	0	0	112.7	F323 H407 G409 N412 L429 A433 A434	F323-T431 HydrophobicContact CE1-CG2 4.27Å; H407-T431 PolarHBondContact O-N 2.77Å; G409-T431 PolarHBondContact N-O 2.59Å; G409-T431 CarbonylContact O-C 3.57Å; N412-T431 WeakPolarHBondContact OD1-CB 2.98Å; N412-T431 PolarHBondContact OD1-OG1 3.31Å; L429-T431 HydrophobicContact CD2-CG2 4.2Å; L429-T431 HydrophobicContact CG-CG2 4.17Å; T431-A433 HydrophobicContact CG2-CB 4.06Å; T431-A433 PolarHBondContact O-N 2.7Å; T431-A433 VanDerWaalsContact OG1-CB 3.31Å; T431-A433 WeakPolarHBondContact OG1-CB 3Å; T431-A433 PolarHBondContact OG1-N 2.75Å; T431-A434 HydrophobicContact CG2-CB 3.96Å; T431-A434 PolarHBondContact O-N 3.28Å
432	P	98.1	Very high	95.9	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.019	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59	-25.7	165.9	-26.2	36.2	0	0	0	113.4	I144 F145 M325 G409 N412 A434 C435	I144-P432 HydrophobicContact CB-CB 3.95Å; I144-P432 HydrophobicContact CB-CG 4.26Å; I144-P432 HydrophobicContact CD1-CG 4.3Å; I144-P432 HydrophobicContact CG2-CB 3.71Å; I144-P432 HydrophobicContact CG2-CG 3.89Å; F145-P432 WeakPolarHBondContact CD2-O 3.48Å; M325-P432 HydrophobicContact CE-CB 4.06Å; M325-P432 HydrophobicContact SD-CB 4.03Å; M325-P432 HydrophobicContact SD-CG 4.35Å; G409-P432 WeakPolarHBondContact O-CA 3.37Å; G409-P432 WeakPolarHBondContact O-CG 3.45Å; G409-P432 VanDerWaalsContact O-N 3.12Å; N412-P432 WeakPolarHBondContact OD1-CD 3.06Å; P432-A434 PolarHBondContact O-N 3.45Å; P432-A434 VanDerWaalsContact O-N 3.15Å; P432-C435 VanDerWaalsContact O-CB 3.29Å; P432-C435 WeakPolarHBondContact O-CB 3.04Å; P432-C435 PolarHBondContact O-N 3.31Å
433	A	97.7	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.5	178.9	0	0	0	0	0	113.7	F145 F323 L326 T431 C435	F145-A433 WeakPolarHBondContact CE2-O 3.16Å; F323-A433 HydrophobicContact CB-CB 4.28Å; F323-A433 HydrophobicContact CD1-CB 3.4Å; F323-A433 VanDerWaalsContact CD1-CB 3.4Å; F323-A433 HydrophobicContact CE1-CB 3.82Å; F323-A433 HydrophobicContact CG-CB 3.84Å; L326-A433 HydrophobicContact CG-CB 4.4Å; T431-A433 HydrophobicContact CG2-CB 4.06Å; T431-A433 PolarHBondContact O-N 2.7Å; T431-A433 VanDerWaalsContact OG1-CB 3.31Å; T431-A433 WeakPolarHBondContact OG1-CB 3Å; T431-A433 PolarHBondContact OG1-N 2.75Å; A433-C435 VanDerWaalsContact C-N 3.33Å
434	A	96.6	Very high	95.1	Very high	22 Å²	22	38.7 Å²	38.7	18%	0.182	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-88	3.2	176.4	0	0	0	0	0	113.4	F323 V406 T431 P432 S436	F323-A434 HydrophobicContact CE1-CB 4.19Å; F323-A434 HydrophobicContact CZ-CB 4.03Å; V406-A434 HydrophobicContact CG2-CB 4.2Å; T431-A434 HydrophobicContact CG2-CB 3.96Å; T431-A434 PolarHBondContact O-N 3.28Å; P432-A434 PolarHBondContact O-N 3.45Å; P432-A434 VanDerWaalsContact O-N 3.15Å; A434-S436 PolarHBondContact O-N 3.03Å
435	C	96.7	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.			trans	-97.2	39.6	179.7	-57.2	0	0	0	0	112.9	G141 H142 F145 C408 G409 P432 A433	G141-C435 VanDerWaalsContact C-CB 3.45Å; H142-C435 HydrophobicContact CB-CB 4.2Å; H142-C435 PolarHBondContact ND1-O 3.1Å; F145-C435 HydrophobicContact CB-CB 4.47Å; C408-C435 WeakPolarHBondContact CA-SG 3.33Å; C408-C435 HydrophobicContact CB-CB 4Å; C408-C435 WeakPolarHBondContact CB-SG 3.26Å; C408-C435 VanDerWaalsContact SG-CA 3.55Å; C408-C435 WeakPolarHBondContact SG-CB 3.41Å; C408-C435 CovalentContact SG-SG 2.03Å; C408-C435 PolarHBondContact SG-SG 3.35Å; G409-C435 PolarHBondContact N-SG 3.02Å; P432-C435 VanDerWaalsContact O-CB 3.29Å; P432-C435 WeakPolarHBondContact O-CB 3.04Å; P432-C435 PolarHBondContact O-N 3.31Å; A433-C435 VanDerWaalsContact C-N 3.33Å
436	S	95.4	Very high	93.6	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	22%	0.215	S	C	.	.			trans	-71.9	-31.8	-179.4	55.1	0	0	0	0	113.7	A434	A434-S436 PolarHBondContact O-N 3.03Å
437	E	93.3	Very high	92.1	Very high	57 Å²	57	50 Å²	50	27%	0.266	24%	0.241	S	C	.	.	S	Bend	trans	-73	154	177.4	-58.6	-169.3	174.7	0	0	112.6	H142 L442 K445	H142-E437 PolarHBondContact CE1-O 3.46Å; H142-E437 PolarHBondContact ND1-O 3.14Å; E437-L442 HydrophobicContact CB-CB 4.38Å; E437-K445 IonicContact OE1-NZ 3.59Å; E437-K445 PolarHBondContact OE1-NZ 2.61Å; E437-K445 VanDerWaalsContact OE2-CD 3.29Å; E437-K445 WeakPolarHBondContact OE2-CD 3.34Å; E437-K445 WeakPolarHBondContact OE2-CE 3.35Å; E437-K445 IonicContact OE2-NZ 2.89Å; E437-K445 PolarHBondContact OE2-NZ 3.02Å
438	D	94.1	Very high	90.4	Very high	75 Å²	75	54.3 Å²	54.3	40%	0.401	27%	0.269	S	S	.	.			trans	-58.5	136.8	173	172.4	-89.8	0	0	0	111.6	D440 E441 L442	D438-D440 VanDerWaalsContact C-N 3.31Å; D438-D440 PolarHBondContact O-N 3.46Å; D438-D440 WeakPolarHBondContact OD1-CA 3.16Å; D438-D440 WeakPolarHBondContact OD1-CB 3.42Å; D438-D440 PolarHBondContact OD1-N 3.05Å; D438-E441 HydrophobicContact CB-CB 4.22Å; D438-E441 HydrophobicContact CB-CG 4.29Å; D438-E441 PolarHBondContact O-N 3.04Å; D438-E441 PolarHBondContact OD1-N 3.32Å; D438-E441 VanDerWaalsContact OD1-N 3.08Å; D438-L442 PolarHBondContact O-N 2.03Å
439	P	93.7	Very high	88.4	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-37	-178.3	-30.7	37.9	0	0	0	115.1	I138 E139 H142 F443	I138-P439 HydrophobicContact CG2-CB 3.96Å; I138-P439 HydrophobicContact CG2-CG 4.44Å; E139-P439 HydrophobicContact CG-CB 3.88Å; E139-P439 HydrophobicContact CG-CG 4.27Å; H142-P439 HydrophobicContact CB-CG 3.83Å; P439-F443 WeakPolarHBondContact O-CB 3.47Å; P439-F443 PolarHBondContact O-N 3Å
440	D	93	Very high	86.2	Confident	74 Å²	74	60.2 Å²	60.2	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-77.1	-29.3	177.9	-78.7	-31.9	0	0	0	111.7	R135 D438 R444	R135-D440 IonicContact CZ-OD1 2.75Å; R135-D440 IonicContact NH1-OD1 3.27Å; R135-D440 PolarHBondContact NH1-OD1 3.06Å; R135-D440 IonicContact NH2-OD1 3.23Å; R135-D440 PolarHBondContact NH2-OD1 3.44Å; R135-D440 IonicContact NH2-OD2 3.69Å; D438-D440 VanDerWaalsContact C-N 3.31Å; D438-D440 PolarHBondContact O-N 3.46Å; D438-D440 WeakPolarHBondContact OD1-CA 3.16Å; D438-D440 WeakPolarHBondContact OD1-CB 3.42Å; D438-D440 PolarHBondContact OD1-N 3.05Å; D440-R444 WeakPolarHBondContact O-CB 3.32Å; D440-R444 VanDerWaalsContact O-CG 3.29Å; D440-R444 WeakPolarHBondContact O-CG 3.49Å; D440-R444 PolarHBondContact O-N 3.1Å; D440-R444 PolarHBondContact O-NE 2.86Å; D440-R444 PolarHBondContact O-NH2 2.86Å
441	E	90.8	Very high	85.6	Confident	97 Å²	97	62.1 Å²	62.1	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-47	169.5	-72.3	-167.6	167.7	0	0	112.2	D438 F443 R444 K445	D438-E441 HydrophobicContact CB-CB 4.22Å; D438-E441 HydrophobicContact CB-CG 4.29Å; D438-E441 PolarHBondContact O-N 3.04Å; D438-E441 PolarHBondContact OD1-N 3.32Å; D438-E441 VanDerWaalsContact OD1-N 3.08Å; E441-F443 PolarHBondContact O-N 3.27Å; E441-R444 PolarHBondContact O-N 2.69Å; E441-R444 VanDerWaalsContact O-N 3.16Å; E441-K445 PolarHBondContact O-N 2.64Å
442	L	87.5	Confident	84.9	Confident	31 Å²	31	65.3 Å²	65.3	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-41.9	179.2	-172.9	59.1	0	0	0	111.5	I138 C408 E437 D438 R444 K445 L446	I138-L442 HydrophobicContact CD1-CD2 4.41Å; I138-L442 HydrophobicContact CG1-CD2 4.32Å; I138-L442 HydrophobicContact CG2-CD2 3.96Å; C408-L442 HydrophobicContact CB-CD2 3.67Å; E437-L442 HydrophobicContact CB-CB 4.38Å; D438-L442 PolarHBondContact O-N 2.03Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 3.19Å; L442-K445 PolarHBondContact O-N 3.11Å; L442-K445 VanDerWaalsContact O-N 3.11Å; L442-L446 HydrophobicContact CG-CD1 4.21Å; L442-L446 WeakPolarHBondContact O-CD1 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.47Å; L442-L446 PolarHBondContact O-N 3.35Å
443	F	86.1	Confident	84.2	Confident	58 Å²	58	68.8 Å²	68.8	25%	0.254	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-25.5	175.3	-164.6	-92.7	0	0	0	113.1	Q131 R135 P439 E441	Q131-F443 HydrophobicContact CB-CZ 4.31Å; R135-F443 HydrophobicContact CB-CD2 4.06Å; R135-F443 HydrophobicContact CB-CE2 3.88Å; R135-F443 HydrophobicContact CG-CD2 4.33Å; R135-F443 HydrophobicContact CG-CE2 4.49Å; P439-F443 WeakPolarHBondContact O-CB 3.47Å; P439-F443 PolarHBondContact O-N 3Å; E441-F443 PolarHBondContact O-N 3.27Å
444	R	86.8	Confident	83.4	Confident	173 Å²	173	72.8 Å²	72.8	65%	0.653	36%	0.36	S	S	*	.	H	α-helix	trans	-78.4	-24.4	170.7	-82.5	176.4	-75.9	155.5	-4.1	113.9	D440 E441 L442	D440-R444 WeakPolarHBondContact O-CB 3.32Å; D440-R444 VanDerWaalsContact O-CG 3.29Å; D440-R444 WeakPolarHBondContact O-CG 3.49Å; D440-R444 PolarHBondContact O-N 3.1Å; D440-R444 PolarHBondContact O-NE 2.86Å; D440-R444 PolarHBondContact O-NH2 2.86Å; E441-R444 PolarHBondContact O-N 2.69Å; E441-R444 VanDerWaalsContact O-N 3.16Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 3.19Å
445	K	84.5	Confident	82.6	Confident	123 Å²	123	76 Å²	76	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-82.7	-25.7	175.3	-73.6	170.1	177.9	167.9	0	112.8	E437 E441 L442	E437-K445 IonicContact OE1-NZ 3.59Å; E437-K445 PolarHBondContact OE1-NZ 2.61Å; E437-K445 VanDerWaalsContact OE2-CD 3.29Å; E437-K445 WeakPolarHBondContact OE2-CD 3.34Å; E437-K445 WeakPolarHBondContact OE2-CE 3.35Å; E437-K445 IonicContact OE2-NZ 2.89Å; E437-K445 PolarHBondContact OE2-NZ 3.02Å; E441-K445 PolarHBondContact O-N 2.64Å; L442-K445 PolarHBondContact O-N 3.11Å; L442-K445 VanDerWaalsContact O-N 3.11Å
446	L	80.3	Confident	81.7	Confident	56 Å²	56	81.1 Å²	81.1	29%	0.293	40%	0.396	S	S	.	.	S	Bend	trans	-71.1	143.9	173.6	-73.3	155.9	0	0	0	110.4	I138 L442 L450	I138-L446 HydrophobicContact CD1-CD1 3.48Å; I138-L446 VanDerWaalsContact CD1-CD1 3.48Å; L442-L446 HydrophobicContact CG-CD1 4.21Å; L442-L446 WeakPolarHBondContact O-CD1 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.47Å; L442-L446 PolarHBondContact O-N 3.35Å; L446-L450 HydrophobicContact CB-CD1 3.65Å; L446-L450 HydrophobicContact CB-CG 4.34Å; L446-L450 HydrophobicContact CD1-CD1 4Å; L446-L450 HydrophobicContact CD2-CD1 4.25Å; L446-L450 HydrophobicContact CG-CD1 4.16Å
447	H	67.6	Low	80.7	Confident	156 Å²	156	83.9 Å²	83.9	72%	0.722	40%	0.404	S	S	*	.			trans	-64.3	146.3	177.3	-88.5	-87.3	0	0	0	110.8	E449	H447-E449 PolarHBondContact O-N 2.79Å; H447-E449 VanDerWaalsContact O-N 3.15Å
448	P	62.7	Low	79.7	Confident	90 Å²	90	85.9 Å²	85.9	58%	0.584	41%	0.414	S	S	*	.	S	Bend	trans	-67.9	-12.5	-179.4	28.1	-35.7	0	0	0	113.9	Q131 L450	Q131-P448 PolarHBondContact NE2-O 2.86Å; P448-L450 PolarHBondContact O-N 2.85Å
449	E	57.4	Low	78.5	Confident	93 Å²	93	86.8 Å²	86.8	44%	0.435	42%	0.415	S	S	.	.			trans	-89.8	35.6	179.3	-51	-64.3	160.2	0	0	112.2	R87 H447	R87-E449 WeakPolarHBondContact CD-OE1 3.33Å; R87-E449 WeakPolarHBondContact CD-OE2 3.39Å; R87-E449 IonicContact CZ-OE2 3.76Å; R87-E449 IonicContact NE-OE1 2.89Å; R87-E449 IonicContact NE-OE2 3.96Å; R87-E449 IonicContact NH1-OE1 2.77Å; R87-E449 IonicContact NH1-OE2 3.78Å; R87-E449 PolarHBondContact NH1-OE2 3.47Å; H447-E449 PolarHBondContact O-N 2.79Å; H447-E449 VanDerWaalsContact O-N 3.15Å
450	L	51.9	Low	77.1	Confident	75 Å²	75	93.3 Å²	93.3	39%	0.393	44%	0.444	S	S	.	.			trans	-77.9	0	-176.4	-111	-174.3	0	0	0	113.7	L127 Q131 K134 L446 P448	L127-L450 WeakPolarHBondContact CD1-O 3.41Å; Q131-L450 HydrophobicContact CG-CB 4.3Å; K134-L450 HydrophobicContact CG-CD1 3.94Å; K134-L450 HydrophobicContact CG-CD2 4.24Å; L446-L450 HydrophobicContact CB-CD1 3.65Å; L446-L450 HydrophobicContact CB-CG 4.34Å; L446-L450 HydrophobicContact CD1-CD1 4Å; L446-L450 HydrophobicContact CD2-CD1 4.25Å; L446-L450 HydrophobicContact CG-CD1 4.16Å; P448-L450 PolarHBondContact O-N 2.85Å

Retrieved 450 of 450 residues in 70.5 ms (Link to these results)

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