A0A077Z3N5_TRITR Loading...

Tripartite motif containing protein 2

AlphaFold DB , UniProt , Accession A0A077Z3N5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 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	35.5	Very low	49.9	Very low	215 Å²	215	122.4 Å²	122.4	100%	1.059	67%	0.673	S	S	*	*				0	115.7	0	-59	-53.9	-173.9	0	0	106.9	Y3	M1-Y3 PolarHBondContact O-N 3.14Å
2	P	43	Very low	50.1	Low	128 Å²	128	120.9 Å²	120.9	83%	0.831	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-64.3	124.2	168.4	27.9	-28	0	0	0	106.8	S4	P2-S4 PolarHBondContact O-N 3.39Å
3	Y	44.1	Very low	50.6	Low	201 Å²	201	121.1 Å²	121.1	79%	0.788	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-61	118.3	178.9	-76.3	-96	0	0	0	107.9	M1 L140	M1-Y3 PolarHBondContact O-N 3.14Å; Y3-L140 WeakPolarHBondContact O-CD2 3.48Å
4	S	52.7	Low	51.5	Low	101 Å²	101	118.1 Å²	118.1	71%	0.706	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-80.9	141.4	171.1	55.4	0	0	0	0	108.9	P2 T6	P2-S4 PolarHBondContact O-N 3.39Å; S4-T6 PolarHBondContact O-N 3.4Å
5	P	54	Low	52.1	Low	37 Å²	37	115.7 Å²	115.7	24%	0.24	64%	0.637	C	S	.	*	P	Polyproline II helix	trans	-54	139.9	172.2	22.2	-31.6	0	0	0	110.4	V7 V144	P5-V7 VanDerWaalsContact C-N 3.32Å; P5-V7 PolarHBondContact O-N 3.13Å; P5-V144 HydrophobicContact CB-CG2 4.34Å
6	T	59.3	Low	53	Low	111 Å²	111	114.3 Å²	114.3	68%	0.681	63%	0.629	S	S	*	*			trans	-70.9	88.6	174.8	18.3	0	0	0	0	109.3	S4 V8	S4-T6 PolarHBondContact O-N 3.4Å; T6-V8 PolarHBondContact O-N 3.19Å
7	V	57.7	Low	54	Low	62 Å²	62	113 Å²	113	38%	0.376	62%	0.62	S	S	.	*	B	Isolated β-bridge	trans	-67.4	125.9	167.7	-177.9	0	0	0	0	107.4	P5 E9	P5-V7 VanDerWaalsContact C-N 3.32Å; P5-V7 PolarHBondContact O-N 3.13Å; V7-E9 PolarHBondContact O-N 2.96Å
8	V	54.9	Low	54.9	Low	79 Å²	79	109.1 Å²	109.1	48%	0.479	60%	0.596	S	S	.	*			trans	-68.3	103.1	173.5	-178.3	0	0	0	0	107.6	T6 T10	T6-V8 PolarHBondContact O-N 3.19Å; V8-T10 PolarHBondContact O-N 3.5Å; V8-T10 VanDerWaalsContact O-N 3.13Å
9	E	49.6	Very low	55.8	Low	186 Å²	186	106.3 Å²	106.3	87%	0.869	58%	0.581	S	S	*	*			trans	-61.4	116.3	175.1	-81.7	-174.2	164.2	0	0	109.3	V7	V7-E9 PolarHBondContact O-N 2.96Å
10	T	48.3	Very low	56.6	Low	81 Å²	81	108 Å²	108	50%	0.497	59%	0.585	S	S	.	*			trans	-90.1	136	166.6	47.4	0	0	0	0	107.3	V8 S12	V8-T10 PolarHBondContact O-N 3.5Å; V8-T10 VanDerWaalsContact O-N 3.13Å; T10-S12 VanDerWaalsContact C-N 3.31Å; T10-S12 PolarHBondContact O-N 3.1Å
11	V	49.6	Very low	57.4	Low	145 Å²	145	106.2 Å²	106.2	88%	0.879	58%	0.58	S	S	*	*			trans	-65.4	95.2	175.4	-178.5	0	0	0	0	108	I13	V11-I13 PolarHBondContact O-N 3.39Å
12	S	52.2	Low	59.4	Low	105 Å²	105	102.1 Å²	102.1	73%	0.734	56%	0.557	S	S	*	*			trans	-76.3	107.6	169.1	49.9	0	0	0	0	107.8	T10 N14	T10-S12 VanDerWaalsContact C-N 3.31Å; T10-S12 PolarHBondContact O-N 3.1Å; S12-N14 PolarHBondContact O-N 3.34Å
13	I	57.1	Low	61.5	Low	123 Å²	123	96.2 Å²	96.2	63%	0.631	52%	0.518	S	S	*	.			trans	-57.6	122.6	167	-59.5	172.1	0	0	0	106.8	V11 F15 F18	V11-I13 PolarHBondContact O-N 3.39Å; I13-F15 PolarHBondContact O-N 3.07Å; I13-F18 HydrophobicContact CG2-CB 3.69Å; I13-F18 HydrophobicContact CG2-CD2 3.94Å; I13-F18 HydrophobicContact CG2-CG 4.07Å
14	N	63.2	Low	63.5	Low	80 Å²	80	87.6 Å²	87.6	43%	0.428	49%	0.486	S	S	.	.			trans	-60.9	114.3	172.5	-178.4	-3.9	0	0	0	108	S12 D16 D17 F18	S12-N14 PolarHBondContact O-N 3.34Å; N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 3.3Å; N14-D16 PolarHBondContact OD1-N 3.01Å; N14-D17 HydrophobicContact CB-CB 3.95Å; N14-D17 WeakPolarHBondContact CB-OD2 3.41Å; N14-D17 PolarHBondContact ND2-OD1 3.44Å; N14-D17 PolarHBondContact ND2-OD2 2.9Å; N14-D17 PolarHBondContact O-N 3.03Å; N14-F18 WeakPolarHBondContact O-CB 3.18Å; N14-F18 PolarHBondContact O-N 3.04Å
15	F	60.8	Low	65.3	Low	81 Å²	81	82.8 Å²	82.8	36%	0.355	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-41.1	-173.6	176.2	-85.6	0	0	0	111.5	I13 F18 N19 L100	I13-F15 PolarHBondContact O-N 3.07Å; F15-F18 PolarHBondContact O-N 3.18Å; F15-N19 VanDerWaalsContact O-CB 3.31Å; F15-N19 WeakPolarHBondContact O-CB 3.2Å; F15-N19 PolarHBondContact O-N 2.88Å; F15-L100 HydrophobicContact CD2-CD2 3.73Å; F15-L100 HydrophobicContact CE2-CB 4.18Å; F15-L100 HydrophobicContact CE2-CD2 3.38Å; F15-L100 HydrophobicContact CE2-CG 4.28Å; F15-L100 HydrophobicContact CZ-CD2 4.36Å
16	D	66.6	Low	66.8	Low	94 Å²	94	84.6 Å²	84.6	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-68.2	-44.8	-178.8	-64.2	-36.2	0	0	0	109.6	N14 F18 N19 E20	N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 3.3Å; N14-D16 PolarHBondContact OD1-N 3.01Å; D16-F18 PolarHBondContact O-N 3.46Å; D16-N19 PolarHBondContact O-N 2.76Å; D16-E20 WeakPolarHBondContact O-CB 3.47Å; D16-E20 WeakPolarHBondContact O-CG 3.4Å; D16-E20 PolarHBondContact O-N 2.71Å
17	D	69.2	Low	68.2	Low	92 Å²	92	82.1 Å²	82.1	49%	0.492	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-43.4	175.2	-66.1	-15.9	0	0	0	111.7	N14 S21	N14-D17 HydrophobicContact CB-CB 3.95Å; N14-D17 WeakPolarHBondContact CB-OD2 3.41Å; N14-D17 PolarHBondContact ND2-OD1 3.44Å; N14-D17 PolarHBondContact ND2-OD2 2.9Å; N14-D17 PolarHBondContact O-N 3.03Å; D17-S21 WeakPolarHBondContact O-CB 3.1Å; D17-S21 PolarHBondContact O-N 3.05Å; D17-S21 PolarHBondContact O-OG 2.7Å
18	F	70.8	Confident	69.9	Low	43 Å²	43	80.6 Å²	80.6	19%	0.189	44%	0.443	C	S	.	.	H	α-helix	trans	-66	-42.9	-179.8	-175.4	-92.7	0	0	0	112.1	I13 N14 F15 D16 F22 L23 L96 L100	I13-F18 HydrophobicContact CG2-CB 3.69Å; I13-F18 HydrophobicContact CG2-CD2 3.94Å; I13-F18 HydrophobicContact CG2-CG 4.07Å; N14-F18 WeakPolarHBondContact O-CB 3.18Å; N14-F18 PolarHBondContact O-N 3.04Å; F15-F18 PolarHBondContact O-N 3.18Å; D16-F18 PolarHBondContact O-N 3.46Å; F18-F22 HydrophobicContact CD2-CB 4.49Å; F18-F22 AromaticContact CD2-CD2 3.47Å; F18-F22 HydrophobicContact CD2-CD2 3.47Å; F18-F22 VanDerWaalsContact CD2-CD2 3.47Å; F18-F22 AromaticContact CD2-CE2 4Å; F18-F22 HydrophobicContact CD2-CE2 4Å; F18-F22 HydrophobicContact CD2-CG 4.19Å; F18-F22 HydrophobicContact CE1-CB 4.46Å; F18-F22 HydrophobicContact CE2-CB 4.22Å; F18-F22 AromaticContact CE2-CD2 3.69Å; F18-F22 HydrophobicContact CE2-CD2 3.69Å; F18-F22 HydrophobicContact CE2-CE2 4.27Å; F18-F22 AromaticContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CG-CD2 4.12Å; F18-F22 HydrophobicContact CZ-CB 4.21Å; F18-F22 HydrophobicContact CZ-CD2 4.49Å; F18-F22 HydrophobicContact CZ-CG 4.43Å; F18-F22 WeakPolarHBondContact O-CB 3.48Å; F18-F22 PolarHBondContact O-N 3.12Å; F18-L23 HydrophobicContact CE1-CD1 4.26Å; F18-L23 HydrophobicContact CE1-CG 4.44Å; F18-L96 HydrophobicContact CE1-CD2 4.38Å; F18-L96 HydrophobicContact CZ-CD1 4.1Å; F18-L96 HydrophobicContact CZ-CD2 4.1Å; F18-L100 HydrophobicContact CD1-CD1 4.13Å; F18-L100 HydrophobicContact CE1-CD1 4.11Å
19	N	71	Confident	71.4	Confident	56 Å²	56	83 Å²	83	30%	0.299	45%	0.453	S	S	.	.	H	α-helix	trans	-66.5	-45	178.8	-165.3	16.3	0	0	0	110.9	F15 D16 L23	F15-N19 VanDerWaalsContact O-CB 3.31Å; F15-N19 WeakPolarHBondContact O-CB 3.2Å; F15-N19 PolarHBondContact O-N 2.88Å; D16-N19 PolarHBondContact O-N 2.76Å; N19-L23 CarbonylContact O-C 3.6Å; N19-L23 PolarHBondContact O-N 2.89Å
20	E	73.5	Confident	73.3	Confident	140 Å²	140	80.7 Å²	80.7	65%	0.654	44%	0.437	S	S	*	.	H	α-helix	trans	-65.5	-38.6	177.6	-74.3	-166.7	171.8	0	0	112.8	D16 T24	D16-E20 WeakPolarHBondContact O-CB 3.47Å; D16-E20 WeakPolarHBondContact O-CG 3.4Å; D16-E20 PolarHBondContact O-N 2.71Å; E20-T24 VanDerWaalsContact O-CG2 3.3Å; E20-T24 WeakPolarHBondContact O-CG2 3.33Å; E20-T24 PolarHBondContact O-OG1 3.27Å
21	S	71.6	Confident	75.1	Confident	70 Å²	70	80.2 Å²	80.2	49%	0.49	44%	0.435	S	S	.	.	H	α-helix	trans	-87.5	-39	-174.4	58.5	0	0	0	0	114.8	D17	D17-S21 WeakPolarHBondContact O-CB 3.1Å; D17-S21 PolarHBondContact O-N 3.05Å; D17-S21 PolarHBondContact O-OG 2.7Å
22	F	78	Confident	77	Confident	130 Å²	130	74 Å²	74	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-105	-20.2	-172.4	-66.8	-83.4	0	0	0	114.2	F18	F18-F22 HydrophobicContact CD2-CB 4.49Å; F18-F22 AromaticContact CD2-CD2 3.47Å; F18-F22 HydrophobicContact CD2-CD2 3.47Å; F18-F22 VanDerWaalsContact CD2-CD2 3.47Å; F18-F22 AromaticContact CD2-CE2 4Å; F18-F22 HydrophobicContact CD2-CE2 4Å; F18-F22 HydrophobicContact CD2-CG 4.19Å; F18-F22 HydrophobicContact CE1-CB 4.46Å; F18-F22 HydrophobicContact CE2-CB 4.22Å; F18-F22 AromaticContact CE2-CD2 3.69Å; F18-F22 HydrophobicContact CE2-CD2 3.69Å; F18-F22 HydrophobicContact CE2-CE2 4.27Å; F18-F22 AromaticContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CG-CD2 4.12Å; F18-F22 HydrophobicContact CZ-CB 4.21Å; F18-F22 HydrophobicContact CZ-CD2 4.49Å; F18-F22 HydrophobicContact CZ-CG 4.43Å; F18-F22 WeakPolarHBondContact O-CB 3.48Å; F18-F22 PolarHBondContact O-N 3.12Å
23	L	86.4	Confident	78.5	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.016	38%	0.375	C	S	.	.	S	Bend	trans	-117.7	17	-174.2	-57.1	-179.8	0	0	0	113.8	F18 N19 P31 F32 V93 L96 I97 L100	F18-L23 HydrophobicContact CE1-CD1 4.26Å; F18-L23 HydrophobicContact CE1-CG 4.44Å; N19-L23 CarbonylContact O-C 3.6Å; N19-L23 PolarHBondContact O-N 2.89Å; L23-P31 WeakPolarHBondContact O-CA 3.43Å; L23-F32 VanDerWaalsContact C-CD2 3.44Å; L23-F32 VanDerWaalsContact O-CD2 3.22Å; L23-F32 WeakPolarHBondContact O-CD2 3.47Å; L23-F32 PolarHBondContact O-N 3.41Å; L23-V93 HydrophobicContact CD2-CG1 3.89Å; L23-L96 HydrophobicContact CD1-CB 4.4Å; L23-L96 HydrophobicContact CD2-CB 3.85Å; L23-L96 HydrophobicContact CD2-CD1 4.28Å; L23-I97 HydrophobicContact CD1-CG1 4.24Å; L23-I97 HydrophobicContact CD2-CG1 4.23Å; L23-L100 HydrophobicContact CD1-CD1 3.08Å; L23-L100 HydrophobicContact CG-CD1 4.47Å
24	T	86.3	Confident	79.6	Confident	20 Å²	20	69.5 Å²	69.5	12%	0.123	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-109.9	151	168	68.1	0	0	0	0	111.1	E20 S26 Y30 P31 F32	E20-T24 VanDerWaalsContact O-CG2 3.3Å; E20-T24 WeakPolarHBondContact O-CG2 3.33Å; E20-T24 PolarHBondContact O-OG1 3.27Å; T24-S26 PolarHBondContact O-N 3.13Å; T24-Y30 CarbonylContact C-O 3.31Å; T24-Y30 WeakPolarHBondContact CA-O 3.12Å; T24-P31 HydrophobicContact CG2-CG 4.46Å; T24-F32 VanDerWaalsContact C-CE2 3.44Å; T24-F32 VanDerWaalsContact O-CE2 3.23Å; T24-F32 WeakPolarHBondContact O-CE2 3.38Å
25	C	90.3	Very high	80.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.389	C	S	.	.			trans	-77.2	112.8	174.7	174.7	0	0	0	0	109.9	T27 C28 L29 Y30 F32 C49	C25-T27 PolarHBondContact O-N 3.5Å; C25-C28 PolarHBondContact O-N 3.07Å; C25-L29 WeakPolarHBondContact O-CA 3.39Å; C25-L29 PolarHBondContact O-N 2.92Å; C25-Y30 PolarHBondContact N-O 2.86Å; C25-F32 HydrophobicContact CB-CD1 4.22Å; C25-F32 HydrophobicContact CB-CE1 3.58Å; C25-F32 HydrophobicContact CB-CZ 3.83Å; C25-C49 HydrophobicContact CB-CB 3.93Å; C25-C49 PolarHBondContact SG-N 3.43Å; C25-C49 VanDerWaalsContact SG-N 3.36Å
26	S	87	Confident	81.8	Confident	75 Å²	75	73.6 Å²	73.6	52%	0.524	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.4	-177.8	-37.2	0	0	0	0	115	T24	T24-S26 PolarHBondContact O-N 3.13Å
27	T	88.8	Confident	82.9	Confident	59 Å²	59	71.6 Å²	71.6	36%	0.362	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-33.6	177	-48	0	0	0	0	113.4	C25 C52 P71	C25-T27 PolarHBondContact O-N 3.5Å; T27-C52 HydrophobicContact CG2-CB 4.08Å; T27-P71 HydrophobicContact CG2-CB 4.27Å; T27-P71 HydrophobicContact CG2-CG 4.47Å; T27-P71 WeakPolarHBondContact OG1-CG 3.42Å
28	C	91.8	Very high	83.9	Confident	30 Å²	30	71.8 Å²	71.8	20%	0.203	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-7.1	-179.1	64.4	0	0	0	0	114	C25 Y30 R37 C52	C25-C28 PolarHBondContact O-N 3.07Å; C28-Y30 HydrophobicContact CB-CD2 4.03Å; C28-Y30 WeakPolarHBondContact O-CD2 2.76Å; C28-Y30 PolarHBondContact O-N 3.18Å; C28-Y30 VanDerWaalsContact O-N 3.13Å; C28-R37 PolarHBondContact SG-NH1 2.85Å; C28-C52 WeakPolarHBondContact CB-SG 3.22Å
29	L	87.5	Confident	85	Confident	131 Å²	131	69.9 Å²	69.9	69%	0.686	38%	0.376	S	S	*	.			trans	60.8	12.7	-178.3	-49.5	178.7	0	0	0	114.9	C25	C25-L29 WeakPolarHBondContact O-CA 3.39Å; C25-L29 PolarHBondContact O-N 2.92Å
30	Y	89.4	Confident	86	Confident	136 Å²	136	68.2 Å²	68.2	53%	0.533	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-89.2	148.3	172.9	-74.5	-89.5	0	0	0	111.4	T24 C25 C28 R37	T24-Y30 CarbonylContact C-O 3.31Å; T24-Y30 WeakPolarHBondContact CA-O 3.12Å; C25-Y30 PolarHBondContact N-O 2.86Å; C28-Y30 HydrophobicContact CB-CD2 4.03Å; C28-Y30 WeakPolarHBondContact O-CD2 2.76Å; C28-Y30 PolarHBondContact O-N 3.18Å; C28-Y30 VanDerWaalsContact O-N 3.13Å; Y30-R37 VanDerWaalsContact CG-CZ 3.49Å
31	P	86.2	Confident	87	Confident	72 Å²	72	64.2 Å²	64.2	47%	0.468	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-55.4	145.2	173.5	-22.1	32.1	0	0	0	112.2	L23 T24 R37	L23-P31 WeakPolarHBondContact O-CA 3.43Å; T24-P31 HydrophobicContact CG2-CG 4.46Å; P31-R37 WeakPolarHBondContact O-CD 3.4Å
32	F	89.3	Confident	88	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.066	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.4	140	168	-67.3	-64.8	0	0	0	110	L23 T24 C25 R37 P39 T47 C49 V93 I97	L23-F32 VanDerWaalsContact C-CD2 3.44Å; L23-F32 VanDerWaalsContact O-CD2 3.22Å; L23-F32 WeakPolarHBondContact O-CD2 3.47Å; L23-F32 PolarHBondContact O-N 3.41Å; T24-F32 VanDerWaalsContact C-CE2 3.44Å; T24-F32 VanDerWaalsContact O-CE2 3.23Å; T24-F32 WeakPolarHBondContact O-CE2 3.38Å; C25-F32 HydrophobicContact CB-CD1 4.22Å; C25-F32 HydrophobicContact CB-CE1 3.58Å; C25-F32 HydrophobicContact CB-CZ 3.83Å; F32-R37 WeakPolarHBondContact CA-O 3.29Å; F32-R37 WeakPolarHBondContact CD1-O 3.32Å; F32-P39 HydrophobicContact CB-CB 4.29Å; F32-P39 HydrophobicContact CB-CG 4.19Å; F32-P39 HydrophobicContact CD1-CB 3.55Å; F32-P39 HydrophobicContact CD1-CG 4.29Å; F32-P39 HydrophobicContact CD2-CB 4.32Å; F32-P39 HydrophobicContact CE1-CB 3.83Å; F32-P39 HydrophobicContact CG-CB 3.81Å; F32-P39 HydrophobicContact CG-CG 4.26Å; F32-P39 HydrophobicContact CZ-CB 4.34Å; F32-T47 HydrophobicContact CE1-CG2 4.13Å; F32-T47 HydrophobicContact CE2-CG2 4.31Å; F32-T47 HydrophobicContact CZ-CG2 3.78Å; F32-C49 HydrophobicContact CD1-CB 3.97Å; F32-C49 HydrophobicContact CE1-CB 3.88Å; F32-V93 HydrophobicContact CB-CG1 4.27Å; F32-V93 HydrophobicContact CD2-CG1 3.63Å; F32-V93 HydrophobicContact CE2-CG1 4.22Å; F32-V93 HydrophobicContact CG-CG1 4.13Å; F32-I97 HydrophobicContact CB-CD1 3.85Å
33	D	84.6	Confident	88.5	Confident	54 Å²	54	59 Å²	59	29%	0.289	33%	0.327	S	S	.	.			trans	-140.9	164.2	-180	69.3	52.5	0	0	0	111.2	N35 N36 R37 K38	D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 WeakPolarHBondContact OD1-CA 3.44Å; D33-N35 PolarHBondContact OD1-N 3.31Å; D33-N36 PolarHBondContact OD1-N 3.03Å; D33-R37 PolarHBondContact N-O 3.02Å; D33-R37 VanDerWaalsContact N-O 3.16Å; D33-R37 CarbonylContact O-C 3.59Å; D33-R37 VanDerWaalsContact O-C 3.31Å; D33-R37 PolarHBondContact OD1-N 3.09Å; D33-R37 PolarHBondContact OD2-N 2.88Å; D33-K38 VanDerWaalsContact O-CA 3.29Å; D33-K38 WeakPolarHBondContact O-CA 3.36Å; D33-K38 PolarHBondContact O-N 3Å
34	A	80	Confident	88.8	Confident	78 Å²	78	59.5 Å²	59.5	65%	0.645	33%	0.331	S	S	*	.	S	Bend	trans	-77.1	-6.2	-178.7	0	0	0	0	0	113.9	K38	A34-K38 WeakPolarHBondContact O-CE 3.33Å
35	N	83	Confident	89	Confident	130 Å²	130	62.9 Å²	62.9	70%	0.695	36%	0.355	S	S	*	.	S	Bend	trans	-110	-71.4	-169.1	-68.6	-27.6	0	0	0	111.6	D33	D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 WeakPolarHBondContact OD1-CA 3.44Å; D33-N35 PolarHBondContact OD1-N 3.31Å
36	N	85.5	Confident	89.1	Confident	118 Å²	118	65.7 Å²	65.7	63%	0.631	37%	0.368	S	S	*	.	S	Bend	trans	-100.6	-37	-172.4	-70.5	-23.3	0	0	0	112.5	D33 S50 T51	D33-N36 PolarHBondContact OD1-N 3.03Å; N36-S50 PolarHBondContact O-OG 3.2Å; N36-S50 VanDerWaalsContact O-OG 3.05Å; N36-T51 PolarHBondContact O-OG1 3.41Å
37	R	90	Very high	89.3	Confident	51 Å²	51	63.4 Å²	63.4	19%	0.192	35%	0.351	C	S	.	.	S	Bend	trans	-111.6	51.4	-173.9	-61.2	-174.9	-174.3	-81.5	4.1	111.4	C28 Y30 P31 F32 D33 C49	C28-R37 PolarHBondContact SG-NH1 2.85Å; Y30-R37 VanDerWaalsContact CG-CZ 3.49Å; P31-R37 WeakPolarHBondContact O-CD 3.4Å; F32-R37 WeakPolarHBondContact CA-O 3.29Å; F32-R37 WeakPolarHBondContact CD1-O 3.32Å; D33-R37 PolarHBondContact N-O 3.02Å; D33-R37 VanDerWaalsContact N-O 3.16Å; D33-R37 CarbonylContact O-C 3.59Å; D33-R37 VanDerWaalsContact O-C 3.31Å; D33-R37 PolarHBondContact OD1-N 3.09Å; D33-R37 PolarHBondContact OD2-N 2.88Å; R37-C49 HydrophobicContact CB-CB 3.83Å; R37-C49 HydrophobicContact CG-CB 4.45Å
38	K	91.6	Very high	89.6	Confident	97 Å²	97	60.6 Å²	60.6	42%	0.422	33%	0.334	S	S	.	.			trans	-61.4	124.1	178.7	-67.3	175.9	177	173.5	0	110.5	D33 A34 K40 C49 S50	D33-K38 VanDerWaalsContact O-CA 3.29Å; D33-K38 WeakPolarHBondContact O-CA 3.36Å; D33-K38 PolarHBondContact O-N 3Å; A34-K38 WeakPolarHBondContact O-CE 3.33Å; K38-K40 PolarHBondContact O-N 3.12Å; K38-C49 CarbonylContact O-C 3.58Å; K38-C49 WeakPolarHBondContact O-CA 3.46Å; K38-S50 PolarHBondContact N-OG 2.86Å; K38-S50 PolarHBondContact O-N 2.8Å
39	P	92.9	Very high	89.7	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.019	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.5	179.6	25.3	-30.2	0	0	0	110.6	F32 T47 P89 S90 V93 N94	F32-P39 HydrophobicContact CB-CB 4.29Å; F32-P39 HydrophobicContact CB-CG 4.19Å; F32-P39 HydrophobicContact CD1-CB 3.55Å; F32-P39 HydrophobicContact CD1-CG 4.29Å; F32-P39 HydrophobicContact CD2-CB 4.32Å; F32-P39 HydrophobicContact CE1-CB 3.83Å; F32-P39 HydrophobicContact CG-CB 3.81Å; F32-P39 HydrophobicContact CG-CG 4.26Å; F32-P39 HydrophobicContact CZ-CB 4.34Å; P39-T47 HydrophobicContact CB-CG2 3.46Å; P39-T47 VanDerWaalsContact CB-CG2 3.46Å; P39-P89 WeakPolarHBondContact O-CA 3.38Å; P39-S90 PolarHBondContact O-N 2.94Å; P39-V93 HydrophobicContact CB-CB 4.25Å; P39-V93 HydrophobicContact CB-CG1 3.87Å; P39-V93 HydrophobicContact CG-CB 4.28Å; P39-V93 HydrophobicContact CG-CG1 3.83Å; P39-N94 VanDerWaalsContact CG-OD1 3.23Å; P39-N94 WeakPolarHBondContact CG-OD1 3.35Å
40	K	93	Very high	90	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.087	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132	177.5	-65.9	-57	-160.3	168.8	0	110.4	K38 T47 V48 L53 L85 L87	K38-K40 PolarHBondContact O-N 3.12Å; K40-T47 WeakPolarHBondContact O-CA 3.47Å; K40-V48 WeakPolarHBondContact CB-O 2.97Å; K40-V48 PolarHBondContact N-O 2.7Å; K40-V48 PolarHBondContact O-N 3.36Å; K40-L53 HydrophobicContact CB-CD1 3.53Å; K40-L53 HydrophobicContact CG-CD1 4.08Å; K40-L85 PolarHBondContact NZ-O 2.56Å; K40-L87 HydrophobicContact CB-CB 4.27Å; K40-L87 HydrophobicContact CD-CB 4.33Å; K40-L87 WeakPolarHBondContact CD-O 3.31Å; K40-L87 HydrophobicContact CG-CB 4.5Å; K40-L87 PolarHBondContact NZ-O 3.33Å
41	L	93.8	Very high	90.2	Very high	57 Å²	57	50.5 Å²	50.5	30%	0.298	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.7	179.2	-173.1	67.9	0	0	0	109.9	S45 P88	L41-S45 VanDerWaalsContact CD1-O 3.24Å; L41-S45 WeakPolarHBondContact CD1-O 3.3Å; L41-P88 HydrophobicContact CB-CG 4.38Å; L41-P88 PolarHBondContact N-O 3.34Å
42	L	92.7	Very high	90.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	27%	0.274	C	S	.	.			trans	-90.9	164.4	175.9	-58.3	174.7	0	0	0	110.8	C44 S45 H46 V48 L53 C70 V77 L87	L42-C44 PolarHBondContact O-N 3.37Å; L42-S45 WeakPolarHBondContact O-CA 3.46Å; L42-S45 PolarHBondContact O-N 2.83Å; L42-H46 PolarHBondContact N-O 2.86Å; L42-V48 HydrophobicContact CD1-CG2 3.93Å; L42-L53 HydrophobicContact CD1-CD2 4.41Å; L42-L53 HydrophobicContact CD2-CD1 4.17Å; L42-L53 HydrophobicContact CD2-CD2 3.98Å; L42-C70 HydrophobicContact CD1-CB 3.96Å; L42-V77 HydrophobicContact CB-CG2 4.11Å; L42-V77 HydrophobicContact CD1-CG2 4.42Å; L42-V77 HydrophobicContact CD2-CG1 4.04Å; L42-V77 HydrophobicContact CD2-CG2 4.28Å; L42-L87 HydrophobicContact CD2-CD1 3.89Å
43	S	88.6	Confident	90.8	Very high	84 Å²	84	47 Å²	47	59%	0.587	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.4	176.3	51.4	0	0	0	0	113.1	S45	S43-S45 PolarHBondContact O-N 3.28Å
44	C	92.6	Very high	91	Very high	14 Å²	14	45.3 Å²	45.3	10%	0.095	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	11.1	174.6	66.5	0	0	0	0	114.2	L42 H46 C70 C73 E75	L42-C44 PolarHBondContact O-N 3.37Å; C44-H46 PolarHBondContact O-N 3.47Å; C44-H46 VanDerWaalsContact O-N 3.08Å; C44-H46 PolarHBondContact O-ND1 3.31Å; C44-H46 PolarHBondContact SG-ND1 2.84Å; C44-H46 VanDerWaalsContact SG-ND1 3.38Å; C44-C70 PolarHBondContact SG-SG 3.41Å; C44-C73 VanDerWaalsContact CB-SG 3.56Å; C44-E75 HydrophobicContact CB-CB 4.09Å; C44-E75 HydrophobicContact CB-CG 4.41Å; C44-E75 WeakPolarHBondContact CB-OE2 3.44Å
45	S	89.7	Confident	91.5	Very high	91 Å²	91	44.6 Å²	44.6	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	64.7	-1	-177	72.9	0	0	0	0	117.1	L41 L42 S43	L41-S45 VanDerWaalsContact CD1-O 3.24Å; L41-S45 WeakPolarHBondContact CD1-O 3.3Å; L42-S45 WeakPolarHBondContact O-CA 3.46Å; L42-S45 PolarHBondContact O-N 2.83Å; S43-S45 PolarHBondContact O-N 3.28Å
46	H	92.6	Very high	91.8	Very high	59 Å²	59	39.6 Å²	39.6	27%	0.273	23%	0.233	S	C	.	.			trans	-72.1	143.4	171.8	-70.2	104.6	0	0	0	111.9	L42 C44 I72	L42-H46 PolarHBondContact N-O 2.86Å; C44-H46 PolarHBondContact O-N 3.47Å; C44-H46 VanDerWaalsContact O-N 3.08Å; C44-H46 PolarHBondContact O-ND1 3.31Å; C44-H46 PolarHBondContact SG-ND1 2.84Å; C44-H46 VanDerWaalsContact SG-ND1 3.38Å; H46-I72 HydrophobicContact CB-CB 4.47Å; H46-I72 HydrophobicContact CB-CD1 4Å; H46-I72 HydrophobicContact CB-CG1 4.49Å
47	T	92.6	Very high	91.8	Very high	27 Å²	27	35.5 Å²	35.5	17%	0.166	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.6	177.2	-59	0	0	0	0	110.7	F32 P39 K40 S90 V93	F32-T47 HydrophobicContact CE1-CG2 4.13Å; F32-T47 HydrophobicContact CE2-CG2 4.31Å; F32-T47 HydrophobicContact CZ-CG2 3.78Å; P39-T47 HydrophobicContact CB-CG2 3.46Å; P39-T47 VanDerWaalsContact CB-CG2 3.46Å; K40-T47 WeakPolarHBondContact O-CA 3.47Å; T47-S90 PolarHBondContact OG1-OG 3.49Å; T47-V93 HydrophobicContact CG2-CG2 4.27Å
48	V	93.9	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.9	179.6	-174.9	0	0	0	0	109	K40 L42 C52 L53 P71 I72	K40-V48 WeakPolarHBondContact CB-O 2.97Å; K40-V48 PolarHBondContact N-O 2.7Å; K40-V48 PolarHBondContact O-N 3.36Å; L42-V48 HydrophobicContact CD1-CG2 3.93Å; V48-C52 HydrophobicContact CG1-CB 3.78Å; V48-L53 HydrophobicContact CB-CD1 4.24Å; V48-L53 HydrophobicContact CB-CD2 3.94Å; V48-L53 HydrophobicContact CB-CG 3.93Å; V48-L53 HydrophobicContact CG1-CD2 3.92Å; V48-L53 HydrophobicContact CG1-CG 3.83Å; V48-P71 HydrophobicContact CG1-CG 4.15Å; V48-P71 HydrophobicContact CG2-CG 3.77Å; V48-I72 HydrophobicContact CG2-CD1 4.46Å
49	C	94.8	Very high	91	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.8	-177.6	79.7	0	0	0	0	111.7	C25 F32 R37 K38 T51 C52 L53	C25-C49 HydrophobicContact CB-CB 3.93Å; C25-C49 PolarHBondContact SG-N 3.43Å; C25-C49 VanDerWaalsContact SG-N 3.36Å; F32-C49 HydrophobicContact CD1-CB 3.97Å; F32-C49 HydrophobicContact CE1-CB 3.88Å; R37-C49 HydrophobicContact CB-CB 3.83Å; R37-C49 HydrophobicContact CG-CB 4.45Å; K38-C49 CarbonylContact O-C 3.58Å; K38-C49 WeakPolarHBondContact O-CA 3.46Å; C49-T51 PolarHBondContact O-N 2.95Å; C49-C52 PolarHBondContact O-N 3.47Å; C49-C52 PolarHBondContact SG-N 3.38Å; C49-C52 VanDerWaalsContact SG-N 3.43Å; C49-C52 PolarHBondContact SG-SG 2.7Å; C49-L53 PolarHBondContact O-N 2.86Å
50	S	93.2	Very high	89.9	Confident	15 Å²	15	46 Å²	46	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-53	-37.7	179.3	49.9	0	0	0	0	113.3	N36 K38 L53 G54	N36-S50 PolarHBondContact O-OG 3.2Å; N36-S50 VanDerWaalsContact O-OG 3.05Å; K38-S50 PolarHBondContact N-OG 2.86Å; K38-S50 PolarHBondContact O-N 2.8Å; S50-L53 PolarHBondContact O-N 2.74Å; S50-G54 PolarHBondContact O-N 2.82Å
51	T	93.9	Very high	88.6	Confident	70 Å²	70	49 Å²	49	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-46	177.4	-65.2	0	0	0	0	111.9	N36 C49 G54 A55	N36-T51 PolarHBondContact O-OG1 3.41Å; C49-T51 PolarHBondContact O-N 2.95Å; T51-G54 PolarHBondContact O-N 2.96Å; T51-A55 PolarHBondContact O-N 2.93Å; T51-A55 VanDerWaalsContact O-N 3.1Å
52	C	95	Very high	86.7	Confident	14 Å²	14	52.6 Å²	52.6	10%	0.095	32%	0.324	C	S	.	.	H	α-helix	trans	-67.7	-40.8	178.3	-71.1	0	0	0	0	112	T27 C28 V48 C49 G54 A55 I56	T27-C52 HydrophobicContact CG2-CB 4.08Å; C28-C52 WeakPolarHBondContact CB-SG 3.22Å; V48-C52 HydrophobicContact CG1-CB 3.78Å; C49-C52 PolarHBondContact O-N 3.47Å; C49-C52 PolarHBondContact SG-N 3.38Å; C49-C52 VanDerWaalsContact SG-N 3.43Å; C49-C52 PolarHBondContact SG-SG 2.7Å; C52-G54 VanDerWaalsContact C-N 3.29Å; C52-G54 PolarHBondContact O-N 3.2Å; C52-A55 PolarHBondContact O-N 3.45Å; C52-I56 WeakPolarHBondContact O-CD1 3.23Å; C52-I56 WeakPolarHBondContact O-CG1 3.4Å; C52-I56 PolarHBondContact O-N 3.16Å
53	L	92.8	Very high	84.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-37.8	176.2	-69	174.2	0	0	0	111.5	K40 L42 V48 C49 S50 I56 A57 I68 I84 L87	K40-L53 HydrophobicContact CB-CD1 3.53Å; K40-L53 HydrophobicContact CG-CD1 4.08Å; L42-L53 HydrophobicContact CD1-CD2 4.41Å; L42-L53 HydrophobicContact CD2-CD1 4.17Å; L42-L53 HydrophobicContact CD2-CD2 3.98Å; V48-L53 HydrophobicContact CB-CD1 4.24Å; V48-L53 HydrophobicContact CB-CD2 3.94Å; V48-L53 HydrophobicContact CB-CG 3.93Å; V48-L53 HydrophobicContact CG1-CD2 3.92Å; V48-L53 HydrophobicContact CG1-CG 3.83Å; C49-L53 PolarHBondContact O-N 2.86Å; S50-L53 PolarHBondContact O-N 2.74Å; L53-I56 PolarHBondContact O-N 2.87Å; L53-A57 PolarHBondContact O-N 2.65Å; L53-I68 HydrophobicContact CD2-CD1 3.78Å; L53-I84 VanDerWaalsContact C-CD1 3.42Å; L53-I84 HydrophobicContact CB-CD1 4.41Å; L53-I84 HydrophobicContact CB-CG1 4.41Å; L53-I84 HydrophobicContact CB-CG2 3.4Å; L53-I84 VanDerWaalsContact CB-CG2 3.4Å; L53-I84 HydrophobicContact CD1-CG2 4.05Å; L53-I84 HydrophobicContact CG-CG2 4.39Å; L53-I84 WeakPolarHBondContact O-CD1 3.39Å; L53-L87 HydrophobicContact CD1-CD1 3.86Å
54	G	89.5	Confident	83.2	Confident	18 Å²	18	59.6 Å²	59.6	19%	0.186	36%	0.36	C	S	.	.	H	α-helix	trans	-51.9	-60.9	170.8	0	0	0	0	0	111.5	S50 T51 C52 I56 A57 D58	S50-G54 PolarHBondContact O-N 2.82Å; T51-G54 PolarHBondContact O-N 2.96Å; C52-G54 VanDerWaalsContact C-N 3.29Å; C52-G54 PolarHBondContact O-N 3.2Å; G54-I56 PolarHBondContact O-N 3.33Å; G54-A57 PolarHBondContact O-N 3.02Å; G54-D58 PolarHBondContact O-N 3.09Å; G54-D58 VanDerWaalsContact O-N 3.13Å
55	A	89.4	Confident	82.1	Confident	63 Å²	63	65.1 Å²	65.1	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-56.7	-35.5	179.6	0	0	0	0	0	113.1	T51 C52	T51-A55 PolarHBondContact O-N 2.93Å; T51-A55 VanDerWaalsContact O-N 3.1Å; C52-A55 PolarHBondContact O-N 3.45Å
56	I	89	Confident	81.6	Confident	26 Å²	26	62.6 Å²	62.6	13%	0.133	39%	0.387	C	S	.	.	H	α-helix	trans	-71.4	-32.3	178.9	-69.3	164.4	0	0	0	112.6	C52 L53 G54 R61 I68 P71	C52-I56 WeakPolarHBondContact O-CD1 3.23Å; C52-I56 WeakPolarHBondContact O-CG1 3.4Å; C52-I56 PolarHBondContact O-N 3.16Å; L53-I56 PolarHBondContact O-N 2.87Å; G54-I56 PolarHBondContact O-N 3.33Å; I56-R61 PolarHBondContact O-NH2 3.33Å; I56-I68 HydrophobicContact CG2-CB 4.22Å; I56-I68 HydrophobicContact CG2-CG2 4.28Å; I56-P71 HydrophobicContact CD1-CB 4.01Å; I56-P71 HydrophobicContact CD1-CG 3.89Å
57	A	86	Confident	81.3	Confident	32 Å²	32	60.6 Å²	60.6	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-78.5	-29.2	177.9	0	0	0	0	0	112.8	L53 G54 L59 I68 I79 I84	L53-A57 PolarHBondContact O-N 2.65Å; G54-A57 PolarHBondContact O-N 3.02Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.29Å; A57-I68 HydrophobicContact CB-CG2 3.93Å; A57-I79 HydrophobicContact CB-CD1 4.3Å; A57-I84 HydrophobicContact CB-CD1 3.53Å; A57-I84 HydrophobicContact CB-CG1 4.33Å
58	D	83.8	Confident	81.1	Confident	138 Å²	138	59.3 Å²	59.3	74%	0.738	37%	0.372	S	S	*	.	S	Bend	trans	-77.1	-8.2	179.5	-66.4	-23.8	0	0	0	113.7	G54	G54-D58 PolarHBondContact O-N 3.09Å; G54-D58 VanDerWaalsContact O-N 3.13Å
59	L	82.2	Confident	80.9	Confident	102 Å²	102	66.2 Å²	66.2	53%	0.534	40%	0.398	S	S	.	.	S	Bend	trans	-63.7	135.1	176.9	-72.6	169.9	0	0	0	111.4	A57 R61	A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.29Å; L59-R61 PolarHBondContact O-N 3.08Å; L59-R61 VanDerWaalsContact O-N 3.14Å
60	P	69.7	Low	80.8	Confident	130 Å²	130	66.2 Å²	66.2	84%	0.844	40%	0.398	S	S	*	.			trans	-60.6	115.7	176.3	-18.3	28.9	0	0	0	111.1
61	R	64.1	Low	80.6	Confident	83 Å²	83	68 Å²	68	31%	0.313	41%	0.409	S	S	.	.			trans	-113.7	137.9	178.2	-68.7	176.3	-167.6	-122.8	-4	110.8	I56 L59 S63 S67	I56-R61 PolarHBondContact O-NH2 3.33Å; L59-R61 PolarHBondContact O-N 3.08Å; L59-R61 VanDerWaalsContact O-N 3.14Å; R61-S63 PolarHBondContact O-N 3.46Å; R61-S67 PolarHBondContact NH1-O 3.26Å
62	P	54.4	Low	80.5	Confident	133 Å²	133	68 Å²	68	86%	0.864	41%	0.406	S	S	*	.	S	Bend	trans	-67.3	-28	-173.2	-22	32.6	0	0	0	116.4
63	S	51.1	Low	80.4	Confident	114 Å²	114	69.9 Å²	69.9	80%	0.797	42%	0.419	S	S	*	.	S	Bend	trans	-160.1	8.6	-169.7	-53.9	0	0	0	0	119	R61	R61-S63 PolarHBondContact O-N 3.46Å
64	E	56.6	Low	80.2	Confident	122 Å²	122	79.6 Å²	79.6	57%	0.57	46%	0.456	S	S	*	.			trans	-125.8	90.3	-179.9	-74.5	-175.9	-159.8	0	0	112	G66 S67	E64-G66 PolarHBondContact O-N 3.21Å; E64-S67 PolarHBondContact OE2-OG 2.9Å
65	S	70.1	Confident	80.3	Confident	131 Å²	131	83.5 Å²	83.5	92%	0.916	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	105.2	169.7	57.4	0	0	0	0	109.6
66	G	79.2	Confident	80.3	Confident	37 Å²	37	83.9 Å²	83.9	38%	0.381	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.1	7.3	168.7	0	0	0	0	0	117	E64 I79	E64-G66 PolarHBondContact O-N 3.21Å; G66-I79 PolarHBondContact O-N 3.21Å
67	S	86.4	Confident	80.4	Confident	17 Å²	17	82.8 Å²	82.8	12%	0.119	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.9	173.9	75.3	0	0	0	0	111.7	R61 E64	R61-S67 PolarHBondContact NH1-O 3.26Å; E64-S67 PolarHBondContact OE2-OG 2.9Å
68	I	88.4	Confident	80.4	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.4	165.4	60.6	176.9	0	0	0	109.8	L53 I56 A57 V77 I79	L53-I68 HydrophobicContact CD2-CD1 3.78Å; I56-I68 HydrophobicContact CG2-CB 4.22Å; I56-I68 HydrophobicContact CG2-CG2 4.28Å; A57-I68 HydrophobicContact CB-CG2 3.93Å; I68-V77 HydrophobicContact CG1-CB 4Å; I68-V77 PolarHBondContact N-O 3.35Å; I68-V77 PolarHBondContact O-N 2.95Å; I68-I79 HydrophobicContact CG1-CG1 4.45Å; I68-I79 HydrophobicContact CG2-CD1 3.78Å; I68-I79 HydrophobicContact CG2-CG1 4.12Å
69	R	88.6	Confident	80.6	Confident	144 Å²	144	81.9 Å²	81.9	54%	0.543	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.3	169.2	-77.4	-170.3	-112.8	-106.9	0.3	108.8	R74 E75 V76	R69-R74 WeakPolarHBondContact CD-O 3.43Å; R69-E75 CarbonylContact C-O 3.54Å; R69-E75 WeakPolarHBondContact CA-O 3.23Å; R69-V76 HydrophobicContact CG-CG2 4.2Å
70	C	93	Very high	80.8	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.007	44%	0.444	C	S	.	.			trans	-56.6	128.1	174.2	177.7	0	0	0	0	109.7	L42 C44 I72 C73 R74 E75 V77	L42-C70 HydrophobicContact CD1-CB 3.96Å; C44-C70 PolarHBondContact SG-SG 3.41Å; C70-I72 PolarHBondContact O-N 3.31Å; C70-I72 PolarHBondContact SG-N 2.96Å; C70-I72 VanDerWaalsContact SG-N 3.41Å; C70-C73 VanDerWaalsContact SG-SG 3.66Å; C70-R74 WeakPolarHBondContact O-CA 3.33Å; C70-R74 PolarHBondContact O-N 3.38Å; C70-E75 PolarHBondContact N-O 3.36Å; C70-V77 HydrophobicContact CB-CG2 4.46Å
71	P	90.2	Very high	81.3	Confident	51 Å²	51	86 Å²	86	33%	0.331	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	179.6	26.4	-33.3	0	0	0	113.1	T27 V48 I56	T27-P71 HydrophobicContact CG2-CB 4.27Å; T27-P71 HydrophobicContact CG2-CG 4.47Å; T27-P71 WeakPolarHBondContact OG1-CG 3.42Å; V48-P71 HydrophobicContact CG1-CG 4.15Å; V48-P71 HydrophobicContact CG2-CG 3.77Å; I56-P71 HydrophobicContact CD1-CB 4.01Å; I56-P71 HydrophobicContact CD1-CG 3.89Å
72	I	90.8	Very high	82.1	Confident	70 Å²	70	84.7 Å²	84.7	36%	0.359	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-58.4	-177	-48.1	-171.3	0	0	0	110.7	H46 V48 C70	H46-I72 HydrophobicContact CB-CB 4.47Å; H46-I72 HydrophobicContact CB-CD1 4Å; H46-I72 HydrophobicContact CB-CG1 4.49Å; V48-I72 HydrophobicContact CG2-CD1 4.46Å; C70-I72 PolarHBondContact O-N 3.31Å; C70-I72 PolarHBondContact SG-N 2.96Å; C70-I72 VanDerWaalsContact SG-N 3.41Å
73	C	93.8	Very high	83.6	Confident	55 Å²	55	79.8 Å²	79.8	37%	0.372	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-2.7	-176.3	67.9	0	0	0	0	115.4	C44 C70 E75	C44-C73 VanDerWaalsContact CB-SG 3.56Å; C70-C73 VanDerWaalsContact SG-SG 3.66Å; C73-E75 PolarHBondContact O-N 3.38Å; C73-E75 VanDerWaalsContact O-N 3.12Å; C73-E75 VanDerWaalsContact SG-CB 3.56Å
74	R	88.9	Confident	85.3	Confident	204 Å²	204	75.5 Å²	75.5	77%	0.77	41%	0.405	S	S	*	.			trans	63.9	4.7	-177.6	-55	-176.2	176.4	-168	-0.7	116.8	R69 C70	R69-R74 WeakPolarHBondContact CD-O 3.43Å; C70-R74 WeakPolarHBondContact O-CA 3.33Å; C70-R74 PolarHBondContact O-N 3.38Å
75	E	91.9	Very high	86.6	Confident	100 Å²	100	75.8 Å²	75.8	47%	0.467	41%	0.41	S	S	.	.			trans	-58.5	142	172.7	-166.8	175.8	157.4	0	0	111.4	C44 R69 C70 C73	C44-E75 HydrophobicContact CB-CB 4.09Å; C44-E75 HydrophobicContact CB-CG 4.41Å; C44-E75 WeakPolarHBondContact CB-OE2 3.44Å; R69-E75 CarbonylContact C-O 3.54Å; R69-E75 WeakPolarHBondContact CA-O 3.23Å; C70-E75 PolarHBondContact N-O 3.36Å; C73-E75 PolarHBondContact O-N 3.38Å; C73-E75 VanDerWaalsContact O-N 3.12Å; C73-E75 VanDerWaalsContact SG-CB 3.56Å
76	V	89.4	Confident	87.5	Confident	70 Å²	70	71.9 Å²	71.9	42%	0.424	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.3	-179.9	-178.3	0	0	0	0	109.1	R69	R69-V76 HydrophobicContact CG-CG2 4.2Å
77	V	89.1	Confident	88	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.1	178.5	-174.6	0	0	0	0	108.5	L42 I68 C70 L87	L42-V77 HydrophobicContact CB-CG2 4.11Å; L42-V77 HydrophobicContact CD1-CG2 4.42Å; L42-V77 HydrophobicContact CD2-CG1 4.04Å; L42-V77 HydrophobicContact CD2-CG2 4.28Å; I68-V77 HydrophobicContact CG1-CB 4Å; I68-V77 PolarHBondContact N-O 3.35Å; I68-V77 PolarHBondContact O-N 2.95Å; C70-V77 HydrophobicContact CB-CG2 4.46Å; V77-L87 HydrophobicContact CG1-CD2 4.39Å
78	T	87.7	Confident	88.2	Confident	108 Å²	108	73.2 Å²	73.2	66%	0.663	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.6	175.6	-47.7	0	0	0	0	110
79	I	86.8	Confident	88.3	Confident	42 Å²	42	76.9 Å²	76.9	22%	0.215	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-78.4	126.8	178	-50.2	174.8	0	0	0	108.6	A57 G66 I68	A57-I79 HydrophobicContact CB-CD1 4.3Å; G66-I79 PolarHBondContact O-N 3.21Å; I68-I79 HydrophobicContact CG1-CG1 4.45Å; I68-I79 HydrophobicContact CG2-CD1 3.78Å; I68-I79 HydrophobicContact CG2-CG1 4.12Å
80	P	86.1	Confident	88.3	Confident	51 Å²	51	70.4 Å²	70.4	33%	0.331	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.8	162.7	175.1	-18.2	30.2	0	0	0	112.3	G82 G83 A86 L87	P80-G82 PolarHBondContact O-N 3.11Å; P80-G83 PolarHBondContact O-N 2.95Å; P80-A86 HydrophobicContact CB-CB 4.03Å; P80-A86 HydrophobicContact CG-CB 4.37Å; P80-L87 HydrophobicContact CG-CD2 4.11Å
81	R	80.7	Confident	87.9	Confident	269 Å²	269	77.2 Å²	77.2	100%	1.015	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.2	178.2	-68.4	-175.6	-178.9	-177	0.5	114.1	G83	R81-G83 VanDerWaalsContact C-N 3.27Å; R81-G83 PolarHBondContact O-N 3.4Å
82	G	81.1	Confident	87.6	Confident	55 Å²	55	81.4 Å²	81.4	57%	0.567	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	14.6	176.5	0	0	0	0	0	114.9	P80	P80-G82 PolarHBondContact O-N 3.11Å
83	G	86.1	Confident	87.3	Confident	29 Å²	29	78.7 Å²	78.7	30%	0.299	42%	0.421	S	S	.	.			trans	70.4	-164.2	-177.8	0	0	0	0	0	113.3	P80 R81 L85 A86	P80-G83 PolarHBondContact O-N 2.95Å; R81-G83 VanDerWaalsContact C-N 3.27Å; R81-G83 PolarHBondContact O-N 3.4Å; G83-L85 VanDerWaalsContact C-N 3.26Å; G83-L85 PolarHBondContact O-N 2.93Å; G83-A86 WeakPolarHBondContact O-CB 3.28Å; G83-A86 PolarHBondContact O-N 2.91Å; G83-A86 VanDerWaalsContact O-N 3.09Å
84	I	86.2	Confident	86.8	Confident	25 Å²	25	78.6 Å²	78.6	13%	0.128	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-62.1	-34.1	-178.1	-67.3	153.6	0	0	0	112.3	L53 A57 A86 L87	L53-I84 VanDerWaalsContact C-CD1 3.42Å; L53-I84 HydrophobicContact CB-CD1 4.41Å; L53-I84 HydrophobicContact CB-CG1 4.41Å; L53-I84 HydrophobicContact CB-CG2 3.4Å; L53-I84 VanDerWaalsContact CB-CG2 3.4Å; L53-I84 HydrophobicContact CD1-CG2 4.05Å; L53-I84 HydrophobicContact CG-CG2 4.39Å; L53-I84 WeakPolarHBondContact O-CD1 3.39Å; A57-I84 HydrophobicContact CB-CD1 3.53Å; A57-I84 HydrophobicContact CB-CG1 4.33Å; I84-A86 PolarHBondContact O-N 3.38Å; I84-L87 HydrophobicContact CG2-CD1 4.31Å; I84-L87 WeakPolarHBondContact O-CB 3.24Å; I84-L87 PolarHBondContact O-N 3.27Å
85	L	85.1	Confident	86.3	Confident	127 Å²	127	73 Å²	73	67%	0.665	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.1	179.4	-64.8	-179.8	0	0	0	112.1	K40 G83 L87	K40-L85 PolarHBondContact NZ-O 2.56Å; G83-L85 VanDerWaalsContact C-N 3.26Å; G83-L85 PolarHBondContact O-N 2.93Å; L85-L87 VanDerWaalsContact C-N 3.34Å
86	A	87.4	Confident	85.7	Confident	50 Å²	50	70.8 Å²	70.8	41%	0.413	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-82.8	-5.1	174.9	0	0	0	0	0	114.2	P80 G83 I84	P80-A86 HydrophobicContact CB-CB 4.03Å; P80-A86 HydrophobicContact CG-CB 4.37Å; G83-A86 WeakPolarHBondContact O-CB 3.28Å; G83-A86 PolarHBondContact O-N 2.91Å; G83-A86 VanDerWaalsContact O-N 3.09Å; I84-A86 PolarHBondContact O-N 3.38Å
87	L	89.9	Confident	85.1	Confident	11 Å²	11	68.7 Å²	68.7	6%	0.058	38%	0.376	C	S	.	.	S	Bend	trans	-62.9	142.9	168.5	-71.5	167.5	0	0	0	110	K40 L42 L53 V77 P80 I84 L85	K40-L87 HydrophobicContact CB-CB 4.27Å; K40-L87 HydrophobicContact CD-CB 4.33Å; K40-L87 WeakPolarHBondContact CD-O 3.31Å; K40-L87 HydrophobicContact CG-CB 4.5Å; K40-L87 PolarHBondContact NZ-O 3.33Å; L42-L87 HydrophobicContact CD2-CD1 3.89Å; L53-L87 HydrophobicContact CD1-CD1 3.86Å; V77-L87 HydrophobicContact CG1-CD2 4.39Å; P80-L87 HydrophobicContact CG-CD2 4.11Å; I84-L87 HydrophobicContact CG2-CD1 4.31Å; I84-L87 WeakPolarHBondContact O-CB 3.24Å; I84-L87 PolarHBondContact O-N 3.27Å; L85-L87 VanDerWaalsContact C-N 3.34Å
88	P	90	Very high	84.4	Confident	71 Å²	71	73.8 Å²	73.8	46%	0.461	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-60.4	138.7	-178.2	21.7	-29.8	0	0	0	110.6	L41	L41-P88 HydrophobicContact CB-CG 4.38Å; L41-P88 PolarHBondContact N-O 3.34Å
89	P	90.9	Very high	83.4	Confident	78 Å²	78	74.4 Å²	74.4	51%	0.506	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-67.2	149.3	171	29.9	-33.5	0	0	0	110.3	P39 F91	P39-P89 WeakPolarHBondContact O-CA 3.38Å; P89-F91 PolarHBondContact O-N 3.13Å; P89-F91 VanDerWaalsContact O-N 3.09Å
90	S	89.3	Confident	82.5	Confident	8 Å²	8	74.9 Å²	74.9	6%	0.056	40%	0.404	C	S	.	.			trans	-76.5	97.9	171.6	-174.7	0	0	0	0	110.1	P39 T47 M92 V93 N94	P39-S90 PolarHBondContact O-N 2.94Å; T47-S90 PolarHBondContact OG1-OG 3.49Å; S90-M92 VanDerWaalsContact C-N 3.3Å; S90-M92 PolarHBondContact O-N 3.43Å; S90-V93 PolarHBondContact O-N 2.98Å; S90-V93 WeakPolarHBondContact OG-CG2 3.43Å; S90-N94 PolarHBondContact O-N 3.29Å; S90-N94 VanDerWaalsContact O-N 3.11Å; S90-N94 PolarHBondContact O-ND2 3.42Å
91	F	85.3	Confident	81.6	Confident	143 Å²	143	79 Å²	79	63%	0.627	42%	0.424	S	S	*	.	H	α-helix	trans	-57.1	-42.9	-179.4	177.6	-99.9	0	0	0	112.2	P89 N94 Q95	P89-F91 PolarHBondContact O-N 3.13Å; P89-F91 VanDerWaalsContact O-N 3.09Å; F91-N94 PolarHBondContact O-N 3.01Å; F91-Q95 HydrophobicContact CD1-CG 4.12Å; F91-Q95 HydrophobicContact CD2-CG 4.48Å; F91-Q95 HydrophobicContact CE1-CG 3.74Å; F91-Q95 HydrophobicContact CE2-CG 4.13Å; F91-Q95 HydrophobicContact CG-CG 4.49Å; F91-Q95 HydrophobicContact CZ-CG 3.76Å; F91-Q95 WeakPolarHBondContact O-CB 3.41Å; F91-Q95 WeakPolarHBondContact O-CG 3.22Å; F91-Q95 PolarHBondContact O-N 3.06Å
92	M	82.7	Confident	80.3	Confident	139 Å²	139	68.6 Å²	68.6	69%	0.685	40%	0.4	S	S	*	.	H	α-helix	trans	-62.8	-44.8	179.4	-74.9	-176.1	58.9	0	0	112.5	S90 Q95 L96	S90-M92 VanDerWaalsContact C-N 3.3Å; S90-M92 PolarHBondContact O-N 3.43Å; M92-Q95 PolarHBondContact O-N 2.92Å; M92-L96 VanDerWaalsContact O-CG 3.27Å; M92-L96 WeakPolarHBondContact O-CG 3.24Å; M92-L96 PolarHBondContact O-N 2.79Å
93	V	85.7	Confident	78.8	Confident	14 Å²	14	76.2 Å²	76.2	9%	0.085	41%	0.412	C	S	.	.	H	α-helix	trans	-64.6	-42.4	179.4	172.9	0	0	0	0	110.5	L23 F32 P39 T47 S90 L96 I97	L23-V93 HydrophobicContact CD2-CG1 3.89Å; F32-V93 HydrophobicContact CB-CG1 4.27Å; F32-V93 HydrophobicContact CD2-CG1 3.63Å; F32-V93 HydrophobicContact CE2-CG1 4.22Å; F32-V93 HydrophobicContact CG-CG1 4.13Å; P39-V93 HydrophobicContact CB-CB 4.25Å; P39-V93 HydrophobicContact CB-CG1 3.87Å; P39-V93 HydrophobicContact CG-CB 4.28Å; P39-V93 HydrophobicContact CG-CG1 3.83Å; T47-V93 HydrophobicContact CG2-CG2 4.27Å; S90-V93 PolarHBondContact O-N 2.98Å; S90-V93 WeakPolarHBondContact OG-CG2 3.43Å; V93-L96 PolarHBondContact O-N 2.93Å; V93-I97 HydrophobicContact CG1-CD1 3.91Å; V93-I97 HydrophobicContact CG1-CG1 4.5Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3Å
94	N	83.2	Confident	76.9	Confident	53 Å²	53	82.8 Å²	82.8	28%	0.283	43%	0.432	S	S	.	.	H	α-helix	trans	-63.2	-44.7	176.6	-68.4	-29.4	0	0	0	112.1	P39 S90 F91 L96 I97 D98	P39-N94 VanDerWaalsContact CG-OD1 3.23Å; P39-N94 WeakPolarHBondContact CG-OD1 3.35Å; S90-N94 PolarHBondContact O-N 3.29Å; S90-N94 VanDerWaalsContact O-N 3.11Å; S90-N94 PolarHBondContact O-ND2 3.42Å; F91-N94 PolarHBondContact O-N 3.01Å; N94-L96 VanDerWaalsContact C-N 3.28Å; N94-L96 PolarHBondContact O-N 3.44Å; N94-I97 PolarHBondContact O-N 3.22Å; N94-D98 PolarHBondContact O-N 3.35Å
95	Q	77.8	Confident	75	Confident	85 Å²	85	91.8 Å²	91.8	40%	0.397	47%	0.465	S	S	.	.	H	α-helix	trans	-58.1	-40.3	174.8	-78.1	-79.4	-0.6	0	0	112.3	F91 M92 L99	F91-Q95 HydrophobicContact CD1-CG 4.12Å; F91-Q95 HydrophobicContact CD2-CG 4.48Å; F91-Q95 HydrophobicContact CE1-CG 3.74Å; F91-Q95 HydrophobicContact CE2-CG 4.13Å; F91-Q95 HydrophobicContact CG-CG 4.49Å; F91-Q95 HydrophobicContact CZ-CG 3.76Å; F91-Q95 WeakPolarHBondContact O-CB 3.41Å; F91-Q95 WeakPolarHBondContact O-CG 3.22Å; F91-Q95 PolarHBondContact O-N 3.06Å; M92-Q95 PolarHBondContact O-N 2.92Å; Q95-L99 WeakPolarHBondContact O-CB 3.35Å; Q95-L99 VanDerWaalsContact O-CG 3.29Å; Q95-L99 WeakPolarHBondContact O-CG 3.46Å; Q95-L99 PolarHBondContact O-N 3.2Å
96	L	79.3	Confident	73.2	Confident	54 Å²	54	93.6 Å²	93.6	28%	0.283	48%	0.475	S	S	.	.	H	α-helix	trans	-67.9	-41.2	177.1	-70.9	169.6	0	0	0	112	F18 L23 M92 V93 N94 L99 L100	F18-L96 HydrophobicContact CE1-CD2 4.38Å; F18-L96 HydrophobicContact CZ-CD1 4.1Å; F18-L96 HydrophobicContact CZ-CD2 4.1Å; L23-L96 HydrophobicContact CD1-CB 4.4Å; L23-L96 HydrophobicContact CD2-CB 3.85Å; L23-L96 HydrophobicContact CD2-CD1 4.28Å; M92-L96 VanDerWaalsContact O-CG 3.27Å; M92-L96 WeakPolarHBondContact O-CG 3.24Å; M92-L96 PolarHBondContact O-N 2.79Å; V93-L96 PolarHBondContact O-N 2.93Å; N94-L96 VanDerWaalsContact C-N 3.28Å; N94-L96 PolarHBondContact O-N 3.44Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 WeakPolarHBondContact O-CD1 3.42Å; L96-L100 VanDerWaalsContact O-CG 3.24Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.82Å
97	I	77.5	Confident	71.7	Confident	27 Å²	27	96.3 Å²	96.3	14%	0.138	48%	0.482	C	S	.	.	H	α-helix	trans	-60.6	-46.8	174.5	-68.2	165.4	0	0	0	110.6	L23 F32 V93 N94 L99 L100 N101	L23-I97 HydrophobicContact CD1-CG1 4.24Å; L23-I97 HydrophobicContact CD2-CG1 4.23Å; F32-I97 HydrophobicContact CB-CD1 3.85Å; V93-I97 HydrophobicContact CG1-CD1 3.91Å; V93-I97 HydrophobicContact CG1-CG1 4.5Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3Å; N94-I97 PolarHBondContact O-N 3.22Å; I97-L99 PolarHBondContact O-N 2.92Å; I97-L100 PolarHBondContact O-N 3.44Å; I97-N101 WeakPolarHBondContact CG2-ND2 3.27Å; I97-N101 WeakPolarHBondContact O-CB 3.48Å; I97-N101 PolarHBondContact O-N 3.32Å; I97-N101 PolarHBondContact O-ND2 3.4Å
98	D	73	Confident	70.3	Confident	110 Å²	110	98.7 Å²	98.7	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-63.5	-42.1	-180	-69.9	-20.4	0	0	0	111.6	N94 G102	N94-D98 PolarHBondContact O-N 3.35Å; D98-G102 PolarHBondContact O-N 3.48Å; D98-G102 VanDerWaalsContact O-N 3.13Å
99	L	66.7	Low	69.2	Low	121 Å²	121	97.1 Å²	97.1	63%	0.634	48%	0.484	S	S	*	.	H	α-helix	trans	-62.9	-40.1	175.5	-80.2	166.9	0	0	0	112.7	Q95 L96 I97	Q95-L99 WeakPolarHBondContact O-CB 3.35Å; Q95-L99 VanDerWaalsContact O-CG 3.29Å; Q95-L99 WeakPolarHBondContact O-CG 3.46Å; Q95-L99 PolarHBondContact O-N 3.2Å; L96-L99 PolarHBondContact O-N 3.32Å; I97-L99 PolarHBondContact O-N 2.92Å
100	L	68.3	Low	68.3	Low	52 Å²	52	98.8 Å²	98.8	27%	0.272	48%	0.483	S	S	.	.	H	α-helix	trans	-76.7	-42.7	-177.5	-70.8	164.7	0	0	0	112.7	F15 F18 L23 L96 I97 G102	F15-L100 HydrophobicContact CD2-CD2 3.73Å; F15-L100 HydrophobicContact CE2-CB 4.18Å; F15-L100 HydrophobicContact CE2-CD2 3.38Å; F15-L100 HydrophobicContact CE2-CG 4.28Å; F15-L100 HydrophobicContact CZ-CD2 4.36Å; F18-L100 HydrophobicContact CD1-CD1 4.13Å; F18-L100 HydrophobicContact CE1-CD1 4.11Å; L23-L100 HydrophobicContact CD1-CD1 3.08Å; L23-L100 HydrophobicContact CG-CD1 4.47Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 WeakPolarHBondContact O-CD1 3.42Å; L96-L100 VanDerWaalsContact O-CG 3.24Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.82Å; I97-L100 PolarHBondContact O-N 3.44Å; L100-G102 PolarHBondContact O-N 3.31Å
101	N	66.7	Low	67.7	Low	138 Å²	138	98.8 Å²	98.8	74%	0.738	48%	0.483	S	S	*	.	H	α-helix	trans	-67.1	-24.8	176.6	-74.2	-25.4	0	0	0	111.9	I97	I97-N101 WeakPolarHBondContact CG2-ND2 3.27Å; I97-N101 WeakPolarHBondContact O-CB 3.48Å; I97-N101 PolarHBondContact O-N 3.32Å; I97-N101 PolarHBondContact O-ND2 3.4Å
102	G	53.2	Low	67.3	Low	51 Å²	51	97.9 Å²	97.9	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-76	-43.7	-169.4	0	0	0	0	0	117	D98 L100	D98-G102 PolarHBondContact O-N 3.48Å; D98-G102 VanDerWaalsContact O-N 3.13Å; L100-G102 PolarHBondContact O-N 3.31Å
103	R	51.1	Low	67.1	Low	214 Å²	214	98 Å²	98	81%	0.808	49%	0.494	S	S	*	.	S	Bend	trans	-152.3	17.9	-146.1	-77.9	-163.4	178.2	-155.4	-1.8	122.4
104	K	44.6	Very low	66.9	Low	168 Å²	168	100.4 Å²	100.4	73%	0.73	50%	0.504	S	S	*	.	S	Bend	trans	-121.6	-23	-178.4	-121.1	-173.3	179.3	-171.5	0	120.5	D106	K104-D106 VanDerWaalsContact C-N 3.34Å; K104-D106 PolarHBondContact O-N 2.91Å
105	R	46.9	Very low	66.5	Low	214 Å²	214	102 Å²	102	81%	0.808	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.8	-173.3	-77.1	-174.7	175.2	171.1	-0.8	114.6
106	D	48.6	Very low	66.4	Low	164 Å²	164	104.8 Å²	104.8	88%	0.877	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.2	-174.6	-60.6	-29.9	0	0	0	115.3	K104	K104-D106 VanDerWaalsContact C-N 3.34Å; K104-D106 PolarHBondContact O-N 2.91Å
107	L	54.4	Low	66.4	Low	108 Å²	108	104.5 Å²	104.5	57%	0.565	54%	0.535	S	S	*	.			trans	-109.6	2.1	-168.4	-100.7	130	0	0	0	115.5	P109	L107-P109 WeakPolarHBondContact O-CD 2.96Å
108	I	60.6	Low	66.4	Low	60 Å²	60	107.6 Å²	107.6	31%	0.308	55%	0.549	S	S	.	.	S	Bend	trans	-90.7	106.9	176.9	-55.8	177.4	0	0	0	108.4	K110 E118	I108-K110 PolarHBondContact O-N 3.23Å; I108-E118 HydrophobicContact CG2-CB 4.42Å; I108-E118 HydrophobicContact CG2-CG 3.8Å
109	P	67.5	Low	66.8	Low	39 Å²	39	103.8 Å²	103.8	25%	0.253	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-72.8	118.5	-176.4	-15.1	33.7	0	0	0	109.2	L107 L119 F147 I151	L107-P109 WeakPolarHBondContact O-CD 2.96Å; P109-L119 HydrophobicContact CB-CD1 4.09Å; P109-L119 PolarHBondContact O-N 3.07Å; P109-L119 VanDerWaalsContact O-N 3.09Å; P109-F147 HydrophobicContact CB-CD1 3.79Å; P109-F147 HydrophobicContact CB-CE1 4Å; P109-F147 HydrophobicContact CG-CD1 3.69Å; P109-F147 HydrophobicContact CG-CE1 3.96Å; P109-I151 HydrophobicContact CG-CD1 4.39Å
110	K	72.8	Confident	67.6	Low	113 Å²	113	98.9 Å²	98.9	49%	0.491	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-97.1	157.7	178.3	-57.7	-165.2	-174.8	-178.6	0	111.1	I108 S115 E117	I108-K110 PolarHBondContact O-N 3.23Å; K110-S115 WeakPolarHBondContact CD-O 3.4Å; K110-E117 CarbonylContact C-O 3.57Å; K110-E117 VanDerWaalsContact CA-O 3.29Å; K110-E117 WeakPolarHBondContact CA-O 3.23Å
111	C	76.7	Confident	68.1	Low	7 Å²	7	97.1 Å²	97.1	5%	0.047	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-64.1	131.6	176.1	-175.8	0	0	0	0	110.6	L113 H114 S115 E117 L119 C130	C111-L113 PolarHBondContact O-N 3.3Å; C111-L113 PolarHBondContact SG-N 2.89Å; C111-L113 VanDerWaalsContact SG-N 3.44Å; C111-H114 HydrophobicContact CB-CB 3.94Å; C111-H114 WeakPolarHBondContact CB-O 3.29Å; C111-H114 CarbonylContact O-C 3.58Å; C111-H114 PolarHBondContact O-N 2.9Å; C111-H114 PolarHBondContact SG-N 2.59Å; C111-S115 PolarHBondContact O-N 3.09Å; C111-E117 PolarHBondContact N-O 3.4Å; C111-L119 HydrophobicContact CB-CD2 4.12Å; C111-C130 HydrophobicContact CB-CB 3.73Å; C111-C130 PolarHBondContact SG-SG 3.27Å
112	P	75	Confident	68.9	Low	124 Å²	124	90.5 Å²	90.5	81%	0.805	46%	0.457	S	S	*	.	S	Bend	trans	-65.3	-26.2	176.6	24.1	-32.4	0	0	0	112.9
113	L	79.6	Confident	70	Confident	142 Å²	142	92 Å²	92	74%	0.743	45%	0.45	S	S	*	.	S	Bend	trans	-87.1	-33	175.9	-61.9	171.4	0	0	0	112.1	C111	C111-L113 PolarHBondContact O-N 3.3Å; C111-L113 PolarHBondContact SG-N 2.89Å; C111-L113 VanDerWaalsContact SG-N 3.44Å
114	H	81.2	Confident	71.3	Confident	64 Å²	64	86 Å²	86	30%	0.296	44%	0.438	S	S	.	.			trans	-122.1	82.7	-178.7	-49.8	110.4	0	0	0	109.5	C111 N116 E117 C130 S132 C133	C111-H114 HydrophobicContact CB-CB 3.94Å; C111-H114 WeakPolarHBondContact CB-O 3.29Å; C111-H114 CarbonylContact O-C 3.58Å; C111-H114 PolarHBondContact O-N 2.9Å; C111-H114 PolarHBondContact SG-N 2.59Å; H114-N116 PolarHBondContact O-N 3.23Å; H114-E117 HydrophobicContact CB-CB 4.02Å; H114-E117 HydrophobicContact CB-CG 3.91Å; H114-E117 PolarHBondContact O-N 3.13Å; H114-C130 PolarHBondContact ND1-SG 3.28Å; H114-S132 WeakPolarHBondContact CE1-CB 3.4Å; H114-S132 WeakPolarHBondContact ND1-CB 3.43Å; H114-C133 PolarHBondContact CE1-SG 3.09Å; H114-C133 PolarHBondContact ND1-SG 3.05Å
115	S	75	Confident	73	Confident	86 Å²	86	79.7 Å²	79.7	60%	0.601	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.6	-172.3	62.1	0	0	0	0	115.2	K110 C111	K110-S115 WeakPolarHBondContact CD-O 3.4Å; C111-S115 PolarHBondContact O-N 3.09Å
116	N	76	Confident	74.4	Confident	145 Å²	145	72.1 Å²	72.1	78%	0.775	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.4	176.7	-73.3	-7.2	0	0	0	113.5	H114	H114-N116 PolarHBondContact O-N 3.23Å
117	E	78.8	Confident	75.9	Confident	47 Å²	47	68.6 Å²	68.6	22%	0.22	37%	0.367	C	S	.	.	S	Bend	trans	-104.5	133.4	-177.7	-63.1	-167.1	168.4	0	0	111.9	K110 C111 H114 C130 P131 S132	K110-E117 CarbonylContact C-O 3.57Å; K110-E117 VanDerWaalsContact CA-O 3.29Å; K110-E117 WeakPolarHBondContact CA-O 3.23Å; C111-E117 PolarHBondContact N-O 3.4Å; H114-E117 HydrophobicContact CB-CB 4.02Å; H114-E117 HydrophobicContact CB-CG 3.91Å; H114-E117 PolarHBondContact O-N 3.13Å; E117-C130 HydrophobicContact CB-CB 3.94Å; E117-C130 WeakPolarHBondContact OE2-CB 3.2Å; E117-C130 PolarHBondContact OE2-SG 3.4Å; E117-P131 WeakPolarHBondContact OE2-CD 3.42Å; E117-S132 VanDerWaalsContact CD-OG 3.25Å; E117-S132 WeakPolarHBondContact OE1-CB 3.45Å; E117-S132 PolarHBondContact OE1-OG 3.39Å; E117-S132 VanDerWaalsContact OE2-CB 3.23Å; E117-S132 WeakPolarHBondContact OE2-CB 3.14Å; E117-S132 PolarHBondContact OE2-N 3.45Å; E117-S132 PolarHBondContact OE2-OG 3.35Å
118	E	77.2	Confident	77	Confident	93 Å²	93	66.4 Å²	66.4	44%	0.435	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-75.6	143.4	173.7	-58.9	-171.3	168.3	0	0	110.6	I108	I108-E118 HydrophobicContact CG2-CB 4.42Å; I108-E118 HydrophobicContact CG2-CG 3.8Å
119	L	81.3	Confident	78.1	Confident	29 Å²	29	64.6 Å²	64.6	15%	0.152	35%	0.348	C	S	.	.			trans	-71.3	143.1	172.8	-68.3	176.8	0	0	0	110.6	P109 C111 V128 F129 C130 F147	P109-L119 HydrophobicContact CB-CD1 4.09Å; P109-L119 PolarHBondContact O-N 3.07Å; P109-L119 VanDerWaalsContact O-N 3.09Å; C111-L119 HydrophobicContact CB-CD2 4.12Å; L119-V128 HydrophobicContact CB-CG1 4.01Å; L119-V128 HydrophobicContact CD1-CG1 4.03Å; L119-V128 HydrophobicContact CD2-CG1 4.24Å; L119-V128 HydrophobicContact CG-CG1 4.33Å; L119-F129 CarbonylContact C-O 3.17Å; L119-C130 HydrophobicContact CD2-CB 4.31Å; L119-F147 VanDerWaalsContact C-CB 3.46Å; L119-F147 HydrophobicContact CB-CB 3.63Å; L119-F147 HydrophobicContact CB-CD1 3.85Å; L119-F147 HydrophobicContact CB-CG 3.93Å; L119-F147 HydrophobicContact CD1-CD1 4.03Å; L119-F147 HydrophobicContact CD1-CE1 4.2Å; L119-F147 WeakPolarHBondContact O-CB 3.32Å; L119-F147 PolarHBondContact O-N 3.18Å
120	L	83	Confident	78.8	Confident	18 Å²	18	62.8 Å²	62.8	9%	0.094	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.1	175.5	-63.9	174.4	0	0	0	109	V128 F129 P131 V144 V145	L120-V128 CarbonylContact O-C 3.58Å; L120-V128 VanDerWaalsContact O-CA 3.28Å; L120-V128 WeakPolarHBondContact O-CA 3.48Å; L120-F129 WeakPolarHBondContact CA-O 3.49Å; L120-F129 HydrophobicContact CB-CD2 4.28Å; L120-F129 HydrophobicContact CB-CE2 4.08Å; L120-F129 HydrophobicContact CB-CZ 4.45Å; L120-F129 WeakPolarHBondContact CB-O 3.41Å; L120-F129 HydrophobicContact CD1-CD2 4.45Å; L120-F129 HydrophobicContact CD1-CE2 3.98Å; L120-F129 PolarHBondContact N-O 3.45Å; L120-F129 PolarHBondContact O-N 3.17Å; L120-P131 HydrophobicContact CD1-CG 4.06Å; L120-V144 HydrophobicContact CB-CG1 3.62Å; L120-V144 HydrophobicContact CD1-CG1 4.08Å; L120-V144 HydrophobicContact CD2-CG1 4.32Å; L120-V144 HydrophobicContact CG-CG1 4.22Å; L120-V145 CarbonylContact C-O 3.59Å; L120-V145 WeakPolarHBondContact CA-O 3.36Å
121	F	80.5	Confident	79	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.066	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124	174.8	176.5	-112.2	0	0	0	110	E123 D126 V128 V144 V145 F147 A150 V279	F121-E123 HydrophobicContact CD1-CG 4.27Å; F121-E123 HydrophobicContact CE1-CG 4.13Å; F121-D126 WeakPolarHBondContact CE2-OD1 3.48Å; F121-D126 WeakPolarHBondContact CZ-OD1 3.49Å; F121-V128 HydrophobicContact CD2-CG2 3.96Å; F121-V144 WeakPolarHBondContact O-CA 3.49Å; F121-V145 HydrophobicContact CB-CG2 4.34Å; F121-V145 HydrophobicContact CD1-CG2 4.21Å; F121-V145 PolarHBondContact N-O 3.5Å; F121-V145 PolarHBondContact O-N 3.38Å; F121-F147 HydrophobicContact CB-CD2 4.23Å; F121-A150 HydrophobicContact CB-CB 3.89Å; F121-A150 HydrophobicContact CD1-CB 3.76Å; F121-A150 HydrophobicContact CG-CB 4.04Å; F121-V279 HydrophobicContact CD2-CG1 3.88Å; F121-V279 HydrophobicContact CE1-CG1 4.3Å; F121-V279 HydrophobicContact CE2-CG1 3.44Å; F121-V279 VanDerWaalsContact CE2-CG1 3.44Å; F121-V279 HydrophobicContact CG-CG1 4.46Å; F121-V279 HydrophobicContact CZ-CG1 3.68Å
122	C	82.3	Confident	79	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.9	172.8	174	0	0	0	0	109.9	T124 C125 D126 K127 F129 H142 V144	C122-T124 VanDerWaalsContact C-N 3.27Å; C122-T124 PolarHBondContact O-N 2.96Å; C122-C125 HydrophobicContact CB-CB 4.16Å; C122-C125 PolarHBondContact O-N 2.71Å; C122-C125 VanDerWaalsContact SG-CB 3.59Å; C122-C125 PolarHBondContact SG-N 2.97Å; C122-D126 WeakPolarHBondContact O-CA 3.07Å; C122-D126 PolarHBondContact O-N 3.27Å; C122-K127 PolarHBondContact N-O 3.4Å; C122-F129 HydrophobicContact CB-CE1 3.69Å; C122-F129 HydrophobicContact CB-CZ 4.34Å; C122-H142 WeakPolarHBondContact SG-CB 3.28Å; C122-V144 HydrophobicContact CB-CG2 4.05Å
123	E	77.4	Confident	79.2	Confident	82 Å²	82	60.2 Å²	60.2	38%	0.383	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34	-180	-65.4	-171.1	149.6	0	0	111.8	F121 T143 R153	F121-E123 HydrophobicContact CD1-CG 4.27Å; F121-E123 HydrophobicContact CE1-CG 4.13Å; E123-T143 PolarHBondContact N-O 3.04Å; E123-R153 IonicContact OE1-CZ 3.08Å; E123-R153 IonicContact OE1-NH1 2.68Å; E123-R153 PolarHBondContact OE1-NH1 3.24Å
124	T	77.7	Confident	78.9	Confident	88 Å²	88	55.3 Å²	55.3	54%	0.54	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-35.4	-178.4	-35.9	0	0	0	0	113.4	C122 H142	C122-T124 VanDerWaalsContact C-N 3.27Å; C122-T124 PolarHBondContact O-N 2.96Å; T124-H142 VanDerWaalsContact CB-CG 3.47Å; T124-H142 WeakPolarHBondContact OG1-CB 3.47Å
125	C	79.8	Confident	78	Confident	36 Å²	36	60.7 Å²	60.7	24%	0.243	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-12.9	-177.4	-75.1	0	0	0	0	114.3	C122 K127 C139 H142	C122-C125 HydrophobicContact CB-CB 4.16Å; C122-C125 PolarHBondContact O-N 2.71Å; C122-C125 VanDerWaalsContact SG-CB 3.59Å; C122-C125 PolarHBondContact SG-N 2.97Å; C125-K127 HydrophobicContact CB-CB 4.17Å; C125-K127 HydrophobicContact CB-CD 4.15Å; C125-K127 HydrophobicContact CB-CG 4.06Å; C125-K127 PolarHBondContact O-N 3.33Å; C125-C139 PolarHBondContact SG-SG 2.93Å; C125-H142 PolarHBondContact SG-CE1 2.84Å; C125-H142 PolarHBondContact SG-ND1 3.45Å
126	D	77.5	Confident	77.4	Confident	55 Å²	55	60.2 Å²	60.2	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.4	-169.9	-163.8	37.1	0	0	0	112.7	F121 C122 R280	F121-D126 WeakPolarHBondContact CE2-OD1 3.48Å; F121-D126 WeakPolarHBondContact CZ-OD1 3.49Å; C122-D126 WeakPolarHBondContact O-CA 3.07Å; C122-D126 PolarHBondContact O-N 3.27Å; D126-R280 PolarHBondContact O-NH2 3.37Å
127	K	78.8	Confident	76.7	Confident	89 Å²	89	59.5 Å²	59.5	39%	0.387	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.7	-179.4	-71	-180	-171.4	176.4	0	110.4	C122 C125 E138	C122-K127 PolarHBondContact N-O 3.4Å; C125-K127 HydrophobicContact CB-CB 4.17Å; C125-K127 HydrophobicContact CB-CD 4.15Å; C125-K127 HydrophobicContact CB-CG 4.06Å; C125-K127 PolarHBondContact O-N 3.33Å; K127-E138 IonicContact NZ-OE2 2.68Å; K127-E138 PolarHBondContact NZ-OE2 3.02Å
128	V	78.6	Confident	76.1	Confident	63 Å²	63	62.5 Å²	62.5	38%	0.382	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130	173.9	-177.3	0	0	0	0	108.5	L119 L120 F121 F147	L119-V128 HydrophobicContact CB-CG1 4.01Å; L119-V128 HydrophobicContact CD1-CG1 4.03Å; L119-V128 HydrophobicContact CD2-CG1 4.24Å; L119-V128 HydrophobicContact CG-CG1 4.33Å; L120-V128 CarbonylContact O-C 3.58Å; L120-V128 VanDerWaalsContact O-CA 3.28Å; L120-V128 WeakPolarHBondContact O-CA 3.48Å; F121-V128 HydrophobicContact CD2-CG2 3.96Å; V128-F147 HydrophobicContact CB-CD2 4.39Å; V128-F147 HydrophobicContact CB-CE2 4.25Å; V128-F147 HydrophobicContact CG1-CD1 4.42Å; V128-F147 HydrophobicContact CG1-CD2 3.7Å; V128-F147 HydrophobicContact CG1-CE2 3.79Å; V128-F147 HydrophobicContact CG1-CG 4.04Å; V128-F147 HydrophobicContact CG1-CZ 4.22Å; V128-F147 HydrophobicContact CG2-CD2 3.72Å; V128-F147 HydrophobicContact CG2-CE2 3.36Å; V128-F147 HydrophobicContact CG2-CZ 4.21Å
129	F	82.1	Confident	75.8	Confident	21 Å²	21	58.4 Å²	58.4	9%	0.092	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	170.5	-179.2	57.1	-93.7	0	0	0	110.9	L119 L120 C122 C134 C139 V144	L119-F129 CarbonylContact C-O 3.17Å; L120-F129 WeakPolarHBondContact CA-O 3.49Å; L120-F129 HydrophobicContact CB-CD2 4.28Å; L120-F129 HydrophobicContact CB-CE2 4.08Å; L120-F129 HydrophobicContact CB-CZ 4.45Å; L120-F129 WeakPolarHBondContact CB-O 3.41Å; L120-F129 HydrophobicContact CD1-CD2 4.45Å; L120-F129 HydrophobicContact CD1-CE2 3.98Å; L120-F129 PolarHBondContact N-O 3.45Å; L120-F129 PolarHBondContact O-N 3.17Å; C122-F129 HydrophobicContact CB-CE1 3.69Å; C122-F129 HydrophobicContact CB-CZ 4.34Å; F129-C134 HydrophobicContact CD2-CB 3.63Å; F129-C134 HydrophobicContact CE2-CB 3.98Å; F129-C134 HydrophobicContact CG-CB 4.27Å; F129-C139 HydrophobicContact CE1-CB 4.46Å; F129-C139 HydrophobicContact CZ-CB 4.36Å; F129-V144 HydrophobicContact CE2-CG1 4.35Å; F129-V144 HydrophobicContact CZ-CG1 3.84Å; F129-V144 HydrophobicContact CZ-CG2 3.97Å
130	C	83.3	Confident	75.2	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	33%	0.326	C	S	.	.			trans	-111.4	163	163.9	66.3	0	0	0	0	109.4	C111 H114 E117 L119 S132 C133 C134	C111-C130 HydrophobicContact CB-CB 3.73Å; C111-C130 PolarHBondContact SG-SG 3.27Å; H114-C130 PolarHBondContact ND1-SG 3.28Å; E117-C130 HydrophobicContact CB-CB 3.94Å; E117-C130 WeakPolarHBondContact OE2-CB 3.2Å; E117-C130 PolarHBondContact OE2-SG 3.4Å; L119-C130 HydrophobicContact CD2-CB 4.31Å; C130-S132 PolarHBondContact O-N 3.09Å; C130-S132 VanDerWaalsContact O-N 3.17Å; C130-C133 PolarHBondContact O-N 3.45Å; C130-C133 VanDerWaalsContact O-N 3.07Å; C130-C133 VanDerWaalsContact SG-CB 3.59Å; C130-C133 PolarHBondContact SG-N 3.44Å; C130-C133 VanDerWaalsContact SG-N 3.35Å; C130-C133 PolarHBondContact SG-SG 2.93Å; C130-C134 PolarHBondContact O-N 3.27Å
131	P	76.1	Confident	74.7	Confident	79 Å²	79	66 Å²	66	51%	0.513	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-48.1	-42.3	178.7	-28.7	35.5	0	0	0	113.6	E117 L120	E117-P131 WeakPolarHBondContact OE2-CD 3.42Å; L120-P131 HydrophobicContact CD1-CG 4.06Å
132	S	78.4	Confident	74.7	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-76.4	-27.2	-178.9	-71.9	0	0	0	0	114.5	H114 E117 C130 C134	H114-S132 WeakPolarHBondContact CE1-CB 3.4Å; H114-S132 WeakPolarHBondContact ND1-CB 3.43Å; E117-S132 VanDerWaalsContact CD-OG 3.25Å; E117-S132 WeakPolarHBondContact OE1-CB 3.45Å; E117-S132 PolarHBondContact OE1-OG 3.39Å; E117-S132 VanDerWaalsContact OE2-CB 3.23Å; E117-S132 WeakPolarHBondContact OE2-CB 3.14Å; E117-S132 PolarHBondContact OE2-N 3.45Å; E117-S132 PolarHBondContact OE2-OG 3.35Å; C130-S132 PolarHBondContact O-N 3.09Å; C130-S132 VanDerWaalsContact O-N 3.17Å; S132-C134 VanDerWaalsContact C-N 3.35Å
133	C	79.4	Confident	74.5	Confident	53 Å²	53	70.8 Å²	70.8	36%	0.358	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-82.6	-11.7	176.1	-72.3	0	0	0	0	113.4	H114 C130 E135	H114-C133 PolarHBondContact CE1-SG 3.09Å; H114-C133 PolarHBondContact ND1-SG 3.05Å; C130-C133 PolarHBondContact O-N 3.45Å; C130-C133 VanDerWaalsContact O-N 3.07Å; C130-C133 VanDerWaalsContact SG-CB 3.59Å; C130-C133 PolarHBondContact SG-N 3.44Å; C130-C133 VanDerWaalsContact SG-N 3.35Å; C130-C133 PolarHBondContact SG-SG 2.93Å; C133-E135 VanDerWaalsContact C-N 3.31Å; C133-E135 PolarHBondContact O-N 3.1Å
134	C	73	Confident	74.6	Confident	40 Å²	40	66.9 Å²	66.9	27%	0.27	37%	0.37	S	S	.	.			trans	-83.8	70.2	-177.3	-168.5	0	0	0	0	110.9	F129 C130 S132 T136	F129-C134 HydrophobicContact CD2-CB 3.63Å; F129-C134 HydrophobicContact CE2-CB 3.98Å; F129-C134 HydrophobicContact CG-CB 4.27Å; C130-C134 PolarHBondContact O-N 3.27Å; S132-C134 VanDerWaalsContact C-N 3.35Å; C134-T136 VanDerWaalsContact C-N 3.34Å
135	E	62.7	Low	74.5	Confident	177 Å²	177	63.6 Å²	63.6	83%	0.827	35%	0.35	S	S	*	.			trans	-77.5	-20.3	178	-70	-167.1	168.1	0	0	113.3	C133	C133-E135 VanDerWaalsContact C-N 3.31Å; C133-E135 PolarHBondContact O-N 3.1Å
136	T	61	Low	74.5	Confident	76 Å²	76	62.7 Å²	62.7	47%	0.466	34%	0.343	S	S	.	.	S	Bend	trans	-88.9	123.5	-179.2	61.2	0	0	0	0	110.9	C134 E138	C134-T136 VanDerWaalsContact C-N 3.34Å; T136-E138 PolarHBondContact O-N 3.45Å
137	N	61.9	Low	74.5	Confident	129 Å²	129	61 Å²	61	69%	0.69	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62	8.7	173.4	-86.1	-13.2	0	0	0	114.4	C139 L140	N137-C139 VanDerWaalsContact C-N 3.29Å; N137-C139 PolarHBondContact O-N 2.97Å; N137-L140 HydrophobicContact CB-CD1 3.57Å; N137-L140 HydrophobicContact CB-CG 4.16Å; N137-L140 VanDerWaalsContact CG-CD1 3.44Å; N137-L140 WeakPolarHBondContact O-CG 3.49Å; N137-L140 WeakPolarHBondContact OD1-CD1 3.39Å
138	E	66.9	Low	74.2	Confident	111 Å²	111	58.8 Å²	58.8	52%	0.519	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.7	-30.6	-178.4	-69.4	178.7	175.5	0	0	112.9	K127 T136 H142	K127-E138 IonicContact NZ-OE2 2.68Å; K127-E138 PolarHBondContact NZ-OE2 3.02Å; T136-E138 PolarHBondContact O-N 3.45Å; E138-H142 PolarHBondContact O-CE1 3.37Å; E138-H142 PolarHBondContact O-ND1 3.41Å
139	C	70.4	Confident	74	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.041	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-102.2	8.6	-173.3	-59.6	0	0	0	0	114.8	C125 F129 N137 N141 H142	C125-C139 PolarHBondContact SG-SG 2.93Å; F129-C139 HydrophobicContact CE1-CB 4.46Å; F129-C139 HydrophobicContact CZ-CB 4.36Å; N137-C139 VanDerWaalsContact C-N 3.29Å; N137-C139 PolarHBondContact O-N 2.97Å; C139-N141 VanDerWaalsContact C-N 3.28Å; C139-N141 PolarHBondContact O-N 2.8Å; C139-H142 HydrophobicContact CB-CB 4.47Å; C139-H142 PolarHBondContact O-N 3.38Å; C139-H142 VanDerWaalsContact O-N 3.16Å
140	L	69.2	Low	73.6	Confident	52 Å²	52	57.7 Å²	57.7	27%	0.272	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.3	-174.5	-75.1	172.2	0	0	0	113.7	Y3 N137	Y3-L140 WeakPolarHBondContact O-CD2 3.48Å; N137-L140 HydrophobicContact CB-CD1 3.57Å; N137-L140 HydrophobicContact CB-CG 4.16Å; N137-L140 VanDerWaalsContact CG-CD1 3.44Å; N137-L140 WeakPolarHBondContact O-CG 3.49Å; N137-L140 WeakPolarHBondContact OD1-CD1 3.39Å
141	N	71.8	Confident	73.1	Confident	156 Å²	156	58.5 Å²	58.5	83%	0.834	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	14.5	-177.7	-66.4	-21	0	0	0	112.8	C139	C139-N141 VanDerWaalsContact C-N 3.28Å; C139-N141 PolarHBondContact O-N 2.8Å
142	H	80.5	Confident	73	Confident	48 Å²	48	61.2 Å²	61.2	22%	0.222	33%	0.333	C	S	.	.	S	Bend	trans	-97.4	155.4	-177.4	-65.5	167.9	0	0	0	112.3	C122 T124 C125 E138 C139 V144	C122-H142 WeakPolarHBondContact SG-CB 3.28Å; T124-H142 VanDerWaalsContact CB-CG 3.47Å; T124-H142 WeakPolarHBondContact OG1-CB 3.47Å; C125-H142 PolarHBondContact SG-CE1 2.84Å; C125-H142 PolarHBondContact SG-ND1 3.45Å; E138-H142 PolarHBondContact O-CE1 3.37Å; E138-H142 PolarHBondContact O-ND1 3.41Å; C139-H142 HydrophobicContact CB-CB 4.47Å; C139-H142 PolarHBondContact O-N 3.38Å; C139-H142 VanDerWaalsContact O-N 3.16Å; H142-V144 PolarHBondContact O-N 3Å
143	T	77.4	Confident	72.9	Confident	67 Å²	67	64.7 Å²	64.7	41%	0.411	34%	0.337	S	S	.	.			trans	-75.3	113.2	173.8	-52.7	0	0	0	0	109.2	E123	E123-T143 PolarHBondContact N-O 3.04Å
144	V	79.8	Confident	72.9	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.7	-179.2	-175.6	0	0	0	0	109.3	P5 L120 F121 C122 F129 H142	P5-V144 HydrophobicContact CB-CG2 4.34Å; L120-V144 HydrophobicContact CB-CG1 3.62Å; L120-V144 HydrophobicContact CD1-CG1 4.08Å; L120-V144 HydrophobicContact CD2-CG1 4.32Å; L120-V144 HydrophobicContact CG-CG1 4.22Å; F121-V144 WeakPolarHBondContact O-CA 3.49Å; C122-V144 HydrophobicContact CB-CG2 4.05Å; F129-V144 HydrophobicContact CE2-CG1 4.35Å; F129-V144 HydrophobicContact CZ-CG1 3.84Å; F129-V144 HydrophobicContact CZ-CG2 3.97Å; H142-V144 PolarHBondContact O-N 3Å
145	V	76.9	Confident	72.8	Confident	18 Å²	18	63.3 Å²	63.3	11%	0.109	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.8	179.7	-65.6	0	0	0	0	110.5	L120 F121 F147 A150	L120-V145 CarbonylContact C-O 3.59Å; L120-V145 WeakPolarHBondContact CA-O 3.36Å; F121-V145 HydrophobicContact CB-CG2 4.34Å; F121-V145 HydrophobicContact CD1-CG2 4.21Å; F121-V145 PolarHBondContact N-O 3.5Å; F121-V145 PolarHBondContact O-N 3.38Å; V145-F147 PolarHBondContact O-N 3.4Å; V145-A150 HydrophobicContact CG2-CB 4.04Å
146	P	78.8	Confident	73.4	Confident	17 Å²	17	60.2 Å²	60.2	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	134.1	170.6	-24.5	34	0	0	0	111.3	S148 V149 A150	P146-S148 PolarHBondContact O-N 2.92Å; P146-V149 HydrophobicContact CB-CB 4.37Å; P146-V149 HydrophobicContact CB-CG2 4.02Å; P146-V149 HydrophobicContact CG-CG2 4.27Å; P146-V149 WeakPolarHBondContact O-CA 3.49Å; P146-V149 WeakPolarHBondContact O-CB 3.21Å; P146-V149 PolarHBondContact O-N 3.36Å; P146-A150 PolarHBondContact O-N 2.86Å
147	F	77.5	Confident	74.2	Confident	20 Å²	20	59.6 Å²	59.6	9%	0.088	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-34.2	-175.3	-178.7	-121.2	0	0	0	112.4	P109 L119 F121 V128 V145 V149 A150 I151 V279	P109-F147 HydrophobicContact CB-CD1 3.79Å; P109-F147 HydrophobicContact CB-CE1 4Å; P109-F147 HydrophobicContact CG-CD1 3.69Å; P109-F147 HydrophobicContact CG-CE1 3.96Å; L119-F147 VanDerWaalsContact C-CB 3.46Å; L119-F147 HydrophobicContact CB-CB 3.63Å; L119-F147 HydrophobicContact CB-CD1 3.85Å; L119-F147 HydrophobicContact CB-CG 3.93Å; L119-F147 HydrophobicContact CD1-CD1 4.03Å; L119-F147 HydrophobicContact CD1-CE1 4.2Å; L119-F147 WeakPolarHBondContact O-CB 3.32Å; L119-F147 PolarHBondContact O-N 3.18Å; F121-F147 HydrophobicContact CB-CD2 4.23Å; V128-F147 HydrophobicContact CB-CD2 4.39Å; V128-F147 HydrophobicContact CB-CE2 4.25Å; V128-F147 HydrophobicContact CG1-CD1 4.42Å; V128-F147 HydrophobicContact CG1-CD2 3.7Å; V128-F147 HydrophobicContact CG1-CE2 3.79Å; V128-F147 HydrophobicContact CG1-CG 4.04Å; V128-F147 HydrophobicContact CG1-CZ 4.22Å; V128-F147 HydrophobicContact CG2-CD2 3.72Å; V128-F147 HydrophobicContact CG2-CE2 3.36Å; V128-F147 HydrophobicContact CG2-CZ 4.21Å; V145-F147 PolarHBondContact O-N 3.4Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.18Å; F147-A150 WeakPolarHBondContact O-CB 3.4Å; F147-A150 PolarHBondContact O-N 2.91Å; F147-I151 HydrophobicContact CD1-CD1 3.85Å; F147-I151 HydrophobicContact CE1-CD1 3.49Å; F147-I151 VanDerWaalsContact CE1-CD1 3.49Å; F147-I151 HydrophobicContact CE1-CG1 4.36Å; F147-I151 HydrophobicContact CE2-CD1 4.29Å; F147-I151 HydrophobicContact CE2-CG1 4.31Å; F147-I151 HydrophobicContact CG-CD1 4.38Å; F147-I151 HydrophobicContact CZ-CD1 3.73Å; F147-I151 HydrophobicContact CZ-CG1 4.19Å; F147-I151 WeakPolarHBondContact O-CG1 3.25Å; F147-I151 PolarHBondContact O-N 3.38Å; F147-V279 HydrophobicContact CD2-CG2 3.9Å; F147-V279 HydrophobicContact CE2-CB 3.99Å; F147-V279 HydrophobicContact CE2-CG2 3.26Å; F147-V279 HydrophobicContact CZ-CG2 4.04Å
148	S	71.7	Confident	75	Confident	43 Å²	43	53.9 Å²	53.9	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-38.3	173.4	58.2	0	0	0	0	112.8	P146 K152	P146-S148 PolarHBondContact O-N 2.92Å; S148-K152 WeakPolarHBondContact O-CB 3.5Å; S148-K152 PolarHBondContact O-N 3.41Å; S148-K152 VanDerWaalsContact O-N 3.09Å
149	V	74.7	Confident	75.6	Confident	55 Å²	55	52.6 Å²	52.6	33%	0.333	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-41.5	175.6	176.6	0	0	0	0	110.3	P146 F147 K152 R153	P146-V149 HydrophobicContact CB-CB 4.37Å; P146-V149 HydrophobicContact CB-CG2 4.02Å; P146-V149 HydrophobicContact CG-CG2 4.27Å; P146-V149 WeakPolarHBondContact O-CA 3.49Å; P146-V149 WeakPolarHBondContact O-CB 3.21Å; P146-V149 PolarHBondContact O-N 3.36Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.18Å; V149-K152 PolarHBondContact O-N 2.91Å; V149-R153 VanDerWaalsContact O-CB 3.25Å; V149-R153 WeakPolarHBondContact O-CB 3.27Å; V149-R153 PolarHBondContact O-N 3.42Å
150	A	74.3	Confident	76	Confident	6 Å²	6	59.5 Å²	59.5	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-52.3	175.2	0	0	0	0	0	111.4	F121 V145 P146 F147 K152 R153 M154	F121-A150 HydrophobicContact CB-CB 3.89Å; F121-A150 HydrophobicContact CD1-CB 3.76Å; F121-A150 HydrophobicContact CG-CB 4.04Å; V145-A150 HydrophobicContact CG2-CB 4.04Å; P146-A150 PolarHBondContact O-N 2.86Å; F147-A150 WeakPolarHBondContact O-CB 3.4Å; F147-A150 PolarHBondContact O-N 2.91Å; A150-K152 PolarHBondContact O-N 3.42Å; A150-R153 PolarHBondContact O-N 3.41Å; A150-M154 WeakPolarHBondContact O-CB 3.12Å; A150-M154 WeakPolarHBondContact O-CG 3.35Å; A150-M154 PolarHBondContact O-N 2.93Å
151	I	73.2	Confident	76.6	Confident	18 Å²	18	58.9 Å²	58.9	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-54.9	-53.3	176.7	-69.2	169	0	0	0	110.4	P109 F147 R153 M154 S155 L277 V279	P109-I151 HydrophobicContact CG-CD1 4.39Å; F147-I151 HydrophobicContact CD1-CD1 3.85Å; F147-I151 HydrophobicContact CE1-CD1 3.49Å; F147-I151 VanDerWaalsContact CE1-CD1 3.49Å; F147-I151 HydrophobicContact CE1-CG1 4.36Å; F147-I151 HydrophobicContact CE2-CD1 4.29Å; F147-I151 HydrophobicContact CE2-CG1 4.31Å; F147-I151 HydrophobicContact CG-CD1 4.38Å; F147-I151 HydrophobicContact CZ-CD1 3.73Å; F147-I151 HydrophobicContact CZ-CG1 4.19Å; F147-I151 WeakPolarHBondContact O-CG1 3.25Å; F147-I151 PolarHBondContact O-N 3.38Å; I151-R153 PolarHBondContact O-N 2.98Å; I151-M154 PolarHBondContact O-N 3.41Å; I151-S155 PolarHBondContact O-N 3.06Å; I151-S155 PolarHBondContact O-OG 3.37Å; I151-S155 VanDerWaalsContact O-OG 3.05Å; I151-L277 WeakPolarHBondContact CD1-O 3.48Å; I151-V279 HydrophobicContact CG1-CG2 3.8Å
152	K	72.9	Confident	77	Confident	135 Å²	135	51.5 Å²	51.5	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-58.9	-48.8	-176.9	-173.4	-178	177.5	-169.7	0	111.8	S148 V149 A150 M154 S155 E156	S148-K152 WeakPolarHBondContact O-CB 3.5Å; S148-K152 PolarHBondContact O-N 3.41Å; S148-K152 VanDerWaalsContact O-N 3.09Å; V149-K152 PolarHBondContact O-N 2.91Å; A150-K152 PolarHBondContact O-N 3.42Å; K152-M154 VanDerWaalsContact C-N 3.3Å; K152-M154 PolarHBondContact O-N 2.9Å; K152-S155 PolarHBondContact O-N 3.22Å; K152-E156 WeakPolarHBondContact CE-OE1 3.35Å; K152-E156 WeakPolarHBondContact O-CG 2.89Å; K152-E156 PolarHBondContact O-N 3.15Å
153	R	78.1	Confident	77.2	Confident	131 Å²	131	52.8 Å²	52.8	49%	0.494	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-41.8	178.4	-178.4	178.4	172.1	-158.7	-4.1	111.1	E123 V149 A150 I151 E156 I157	E123-R153 IonicContact OE1-CZ 3.08Å; E123-R153 IonicContact OE1-NH1 2.68Å; E123-R153 PolarHBondContact OE1-NH1 3.24Å; V149-R153 VanDerWaalsContact O-CB 3.25Å; V149-R153 WeakPolarHBondContact O-CB 3.27Å; V149-R153 PolarHBondContact O-N 3.42Å; A150-R153 PolarHBondContact O-N 3.41Å; I151-R153 PolarHBondContact O-N 2.98Å; R153-E156 PolarHBondContact O-N 3Å; R153-I157 HydrophobicContact CG-CD1 3.86Å; R153-I157 WeakPolarHBondContact O-CB 3.37Å; R153-I157 WeakPolarHBondContact O-CD1 3.4Å; R153-I157 WeakPolarHBondContact O-CG1 3.11Å; R153-I157 PolarHBondContact O-N 2.91Å
154	M	77.5	Confident	77.5	Confident	19 Å²	19	52.8 Å²	52.8	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-41.1	179.8	-68.8	168.2	78.3	0	0	112.5	A150 I151 K152 E156 I157 M158 V279 L282 T283 I286	A150-M154 WeakPolarHBondContact O-CB 3.12Å; A150-M154 WeakPolarHBondContact O-CG 3.35Å; A150-M154 PolarHBondContact O-N 2.93Å; I151-M154 PolarHBondContact O-N 3.41Å; K152-M154 VanDerWaalsContact C-N 3.3Å; K152-M154 PolarHBondContact O-N 2.9Å; M154-E156 VanDerWaalsContact C-N 3.3Å; M154-E156 PolarHBondContact O-N 3.01Å; M154-I157 PolarHBondContact O-N 2.99Å; M154-M158 WeakPolarHBondContact O-CB 3.38Å; M154-M158 PolarHBondContact O-N 3.48Å; M154-V279 HydrophobicContact CE-CB 4.24Å; M154-V279 HydrophobicContact CE-CG1 3.69Å; M154-V279 WeakPolarHBondContact CE-O 3.43Å; M154-V279 HydrophobicContact SD-CB 4.14Å; M154-V279 HydrophobicContact SD-CG1 3.64Å; M154-V279 HydrophobicContact SD-CG2 3.89Å; M154-L282 HydrophobicContact CB-CB 4.34Å; M154-L282 HydrophobicContact CB-CD1 4.05Å; M154-L282 HydrophobicContact CE-CB 3.82Å; M154-T283 WeakPolarHBondContact CE-OG1 3.3Å; M154-I286 HydrophobicContact CB-CD1 4.44Å
155	S	71.9	Confident	77.7	Confident	45 Å²	45	52.9 Å²	52.9	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-40.6	172.8	-58.6	0	0	0	0	111.6	I151 K152 M158 L159	I151-S155 PolarHBondContact O-N 3.06Å; I151-S155 PolarHBondContact O-OG 3.37Å; I151-S155 VanDerWaalsContact O-OG 3.05Å; K152-S155 PolarHBondContact O-N 3.22Å; S155-M158 PolarHBondContact O-N 3.01Å; S155-L159 WeakPolarHBondContact O-CB 3.31Å; S155-L159 PolarHBondContact O-N 2.95Å
156	E	76.3	Confident	78	Confident	113 Å²	113	53.3 Å²	53.3	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-46.5	175.6	-73.6	175.1	-171.3	0	0	112.1	K152 R153 M154 M158 L159 Y160	K152-E156 WeakPolarHBondContact CE-OE1 3.35Å; K152-E156 WeakPolarHBondContact O-CG 2.89Å; K152-E156 PolarHBondContact O-N 3.15Å; R153-E156 PolarHBondContact O-N 3Å; M154-E156 VanDerWaalsContact C-N 3.3Å; M154-E156 PolarHBondContact O-N 3.01Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 2.95Å; E156-L159 PolarHBondContact O-N 3.45Å; E156-Y160 VanDerWaalsContact O-CB 3.27Å; E156-Y160 WeakPolarHBondContact O-CB 3.29Å; E156-Y160 PolarHBondContact O-N 3.13Å
157	I	77.3	Confident	78.3	Confident	62 Å²	62	59.2 Å²	59.2	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.8	175.7	-69.7	165.1	0	0	0	110.5	R153 M154 Y160 K161 I286	R153-I157 HydrophobicContact CG-CD1 3.86Å; R153-I157 WeakPolarHBondContact O-CB 3.37Å; R153-I157 WeakPolarHBondContact O-CD1 3.4Å; R153-I157 WeakPolarHBondContact O-CG1 3.11Å; R153-I157 PolarHBondContact O-N 2.91Å; M154-I157 PolarHBondContact O-N 2.99Å; I157-Y160 WeakPolarHBondContact O-CB 2.95Å; I157-Y160 PolarHBondContact O-N 2.88Å; I157-K161 HydrophobicContact CG2-CD 4.49Å; I157-K161 WeakPolarHBondContact O-CG 2.88Å; I157-K161 PolarHBondContact O-N 3.19Å; I157-I286 HydrophobicContact CB-CD1 4.39Å; I157-I286 HydrophobicContact CG2-CD1 4.01Å
158	M	77.7	Confident	78.6	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-52.5	178	178.5	-169.1	-134.7	0	0	111.7	M154 S155 E156 Y160 K161 A162 F273 L282 Y285 I286 L289	M154-M158 WeakPolarHBondContact O-CB 3.38Å; M154-M158 PolarHBondContact O-N 3.48Å; S155-M158 PolarHBondContact O-N 3.01Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 2.95Å; M158-Y160 PolarHBondContact O-N 2.98Å; M158-K161 PolarHBondContact O-N 3.37Å; M158-K161 VanDerWaalsContact O-N 3.11Å; M158-A162 PolarHBondContact O-N 3.3Å; M158-F273 HydrophobicContact CE-CB 3.6Å; M158-F273 HydrophobicContact CE-CD1 3.83Å; M158-F273 HydrophobicContact CE-CD2 3.02Å; M158-F273 HydrophobicContact CE-CE1 4.27Å; M158-F273 HydrophobicContact CE-CE2 3.49Å; M158-F273 VanDerWaalsContact CE-CE2 3.49Å; M158-F273 HydrophobicContact CE-CG 3.2Å; M158-F273 HydrophobicContact CE-CZ 4.1Å; M158-F273 HydrophobicContact SD-CB 3.54Å; M158-F273 VanDerWaalsContact SD-CB 3.54Å; M158-F273 HydrophobicContact SD-CD2 3.8Å; M158-F273 HydrophobicContact SD-CG 3.85Å; M158-L282 HydrophobicContact CE-CD2 4.17Å; M158-L282 HydrophobicContact SD-CD2 3.72Å; M158-Y285 HydrophobicContact CE-CD2 3.81Å; M158-Y285 HydrophobicContact CE-CG 3.82Å; M158-I286 HydrophobicContact CB-CD1 4.4Å; M158-I286 HydrophobicContact CB-CG1 4.03Å; M158-L289 HydrophobicContact CG-CD1 4Å
159	L	79.3	Confident	79.2	Confident	84 Å²	84	57.3 Å²	57.3	44%	0.44	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-40.1	178.7	-178	64.8	0	0	0	110.9	S155 E156 N163	S155-L159 WeakPolarHBondContact O-CB 3.31Å; S155-L159 PolarHBondContact O-N 2.95Å; E156-L159 PolarHBondContact O-N 3.45Å; L159-N163 WeakPolarHBondContact O-CB 3Å; L159-N163 VanDerWaalsContact O-CG 3.3Å; L159-N163 PolarHBondContact O-N 3.17Å; L159-N163 PolarHBondContact O-ND2 3.33Å
160	Y	80.5	Confident	79.7	Confident	151 Å²	151	57.9 Å²	57.9	59%	0.592	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-46.9	174.5	177.1	-107.5	0	0	0	112.1	E156 I157 M158 N163 Q164	E156-Y160 VanDerWaalsContact O-CB 3.27Å; E156-Y160 WeakPolarHBondContact O-CB 3.29Å; E156-Y160 PolarHBondContact O-N 3.13Å; I157-Y160 WeakPolarHBondContact O-CB 2.95Å; I157-Y160 PolarHBondContact O-N 2.88Å; M158-Y160 PolarHBondContact O-N 2.98Å; Y160-N163 PolarHBondContact O-N 2.86Å; Y160-Q164 HydrophobicContact CE1-CG 4.48Å; Y160-Q164 WeakPolarHBondContact O-CG 3.04Å; Y160-Q164 PolarHBondContact O-N 2.91Å; Y160-Q164 PolarHBondContact OH-NE2 2.83Å
161	K	81.2	Confident	80.2	Confident	39 Å²	39	64.2 Å²	64.2	17%	0.17	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-40.8	177.7	-74.7	-168.6	-177.1	-168.3	0	113.3	I157 M158 N163 Q164 C165 I286 L289 N290	I157-K161 HydrophobicContact CG2-CD 4.49Å; I157-K161 WeakPolarHBondContact O-CG 2.88Å; I157-K161 PolarHBondContact O-N 3.19Å; M158-K161 PolarHBondContact O-N 3.37Å; M158-K161 VanDerWaalsContact O-N 3.11Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.11Å; K161-Q164 WeakPolarHBondContact O-CB 3.49Å; K161-Q164 PolarHBondContact O-N 3.29Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; K161-C165 PolarHBondContact O-N 2.94Å; K161-C165 PolarHBondContact O-SG 3.38Å; K161-I286 HydrophobicContact CD-CG2 3.9Å; K161-L289 HydrophobicContact CB-CB 4.39Å; K161-L289 HydrophobicContact CB-CD1 4.24Å; K161-N290 WeakPolarHBondContact CD-OD1 3.38Å; K161-N290 WeakPolarHBondContact CE-OD1 3.37Å; K161-N290 PolarHBondContact NZ-ND2 3.04Å; K161-N290 PolarHBondContact NZ-OD1 2.81Å
162	A	80.7	Confident	80.6	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-43.9	175	0	0	0	0	0	111.7	M158 Q164 C165 I166 I266 C270 L289	M158-A162 PolarHBondContact O-N 3.3Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.18Å; A162-C165 WeakPolarHBondContact O-CB 3.12Å; A162-C165 PolarHBondContact O-N 3.14Å; A162-C165 VanDerWaalsContact O-N 3.12Å; A162-I166 WeakPolarHBondContact O-CG1 3.2Å; A162-I166 PolarHBondContact O-N 2.91Å; A162-I266 HydrophobicContact CB-CG2 4.46Å; A162-C270 WeakPolarHBondContact CB-SG 3.46Å; A162-L289 HydrophobicContact CB-CD1 4.2Å; A162-L289 HydrophobicContact CB-CD2 4.42Å
163	N	82.9	Confident	81.2	Confident	74 Å²	74	58 Å²	58	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-34.4	173.7	-78.6	-45.7	0	0	0	112.4	L159 Y160 K161 K167	L159-N163 WeakPolarHBondContact O-CB 3Å; L159-N163 VanDerWaalsContact O-CG 3.3Å; L159-N163 PolarHBondContact O-N 3.17Å; L159-N163 PolarHBondContact O-ND2 3.33Å; Y160-N163 PolarHBondContact O-N 2.86Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.11Å; N163-K167 WeakPolarHBondContact O-CB 3.36Å; N163-K167 VanDerWaalsContact O-CG 3.23Å; N163-K167 WeakPolarHBondContact O-CG 3.43Å; N163-K167 PolarHBondContact O-N 3.43Å
164	Q	84.5	Confident	81.5	Confident	68 Å²	68	54.1 Å²	54.1	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-46.9	170.9	-73.7	-160.5	39.5	0	0	111.8	Y160 K161 A162 I166 K167 T168 L293	Y160-Q164 HydrophobicContact CE1-CG 4.48Å; Y160-Q164 WeakPolarHBondContact O-CG 3.04Å; Y160-Q164 PolarHBondContact O-N 2.91Å; Y160-Q164 PolarHBondContact OH-NE2 2.83Å; K161-Q164 WeakPolarHBondContact O-CB 3.49Å; K161-Q164 PolarHBondContact O-N 3.29Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.18Å; Q164-I166 PolarHBondContact O-N 3.28Å; Q164-K167 PolarHBondContact O-N 3.12Å; Q164-T168 PolarHBondContact O-N 3.37Å; Q164-T168 PolarHBondContact O-OG1 3.49Å; Q164-T168 VanDerWaalsContact O-OG1 3.06Å; Q164-L293 HydrophobicContact CB-CD1 4.43Å
165	C	83.5	Confident	81.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-47.7	178.3	-61.2	0	0	0	0	111.5	K161 A162 K167 T168 L169 I266	K161-C165 PolarHBondContact O-N 2.94Å; K161-C165 PolarHBondContact O-SG 3.38Å; A162-C165 WeakPolarHBondContact O-CB 3.12Å; A162-C165 PolarHBondContact O-N 3.14Å; A162-C165 VanDerWaalsContact O-N 3.12Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.42Å; C165-T168 PolarHBondContact O-N 3.36Å; C165-L169 WeakPolarHBondContact O-CG 3.27Å; C165-L169 PolarHBondContact O-N 2.77Å; C165-I266 HydrophobicContact CB-CD1 3.9Å
166	I	84.7	Confident	82.2	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.138	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-43.3	177.5	-67.2	168.1	0	0	0	111.1	A162 Q164 T168 L169 N170 I266 E267	A162-I166 WeakPolarHBondContact O-CG1 3.2Å; A162-I166 PolarHBondContact O-N 2.91Å; Q164-I166 PolarHBondContact O-N 3.28Å; I166-T168 VanDerWaalsContact C-N 3.35Å; I166-T168 PolarHBondContact O-N 3.44Å; I166-L169 PolarHBondContact O-N 2.9Å; I166-N170 WeakPolarHBondContact CG2-ND2 3.21Å; I166-N170 WeakPolarHBondContact O-CB 3.2Å; I166-N170 VanDerWaalsContact O-CG 3.29Å; I166-N170 PolarHBondContact O-N 2.94Å; I166-N170 PolarHBondContact O-ND2 3.15Å; I166-I266 HydrophobicContact CD1-CG2 4.36Å; I166-I266 HydrophobicContact CG1-CG2 4.05Å; I166-E267 HydrophobicContact CD1-CG 3.97Å
167	K	84.5	Confident	82.5	Confident	142 Å²	142	52.5 Å²	52.5	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-60.8	-43.3	175.9	-79	175.4	-179.2	-179.1	0	111.7	N163 Q164 C165 K171	N163-K167 WeakPolarHBondContact O-CB 3.36Å; N163-K167 VanDerWaalsContact O-CG 3.23Å; N163-K167 WeakPolarHBondContact O-CG 3.43Å; N163-K167 PolarHBondContact O-N 3.43Å; Q164-K167 PolarHBondContact O-N 3.12Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.42Å; K167-K171 WeakPolarHBondContact O-CG 2.98Å; K167-K171 PolarHBondContact O-N 3.25Å; K167-K171 VanDerWaalsContact O-N 3.1Å
168	T	83.4	Confident	82.8	Confident	23 Å²	23	55.4 Å²	55.4	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-47	177.4	-58	0	0	0	0	111.3	Q164 C165 I166 N170 K171 A172 M300	Q164-T168 PolarHBondContact O-N 3.37Å; Q164-T168 PolarHBondContact O-OG1 3.49Å; Q164-T168 VanDerWaalsContact O-OG1 3.06Å; C165-T168 PolarHBondContact O-N 3.36Å; I166-T168 VanDerWaalsContact C-N 3.35Å; I166-T168 PolarHBondContact O-N 3.44Å; T168-N170 PolarHBondContact O-N 3.38Å; T168-K171 PolarHBondContact O-N 2.96Å; T168-A172 PolarHBondContact O-N 2.97Å; T168-M300 HydrophobicContact CG2-CG 4.22Å; T168-M300 HydrophobicContact CG2-SD 4Å
169	L	84.2	Confident	82.8	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-40.1	178	-71.1	172.6	0	0	0	112.9	C165 I166 K171 A172 A173 I259 E262 K263 I266 L299	C165-L169 WeakPolarHBondContact O-CG 3.27Å; C165-L169 PolarHBondContact O-N 2.77Å; I166-L169 PolarHBondContact O-N 2.9Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 2.92Å; L169-A172 WeakPolarHBondContact O-CB 3.4Å; L169-A172 PolarHBondContact O-N 3.21Å; L169-A173 PolarHBondContact O-N 3.48Å; L169-I259 HydrophobicContact CB-CG2 4.25Å; L169-I259 HydrophobicContact CD2-CG2 4.2Å; L169-I259 WeakPolarHBondContact O-CG2 3.49Å; L169-E262 HydrophobicContact CD1-CB 4.43Å; L169-E262 HydrophobicContact CD1-CG 4.43Å; L169-K263 HydrophobicContact CD1-CB 4.1Å; L169-I266 HydrophobicContact CD1-CD1 3.68Å; L169-L299 HydrophobicContact CD2-CD1 4.25Å
170	N	86.3	Confident	83	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-39	175.4	-75.3	-32.8	0	0	0	111.7	I166 T168 A174 K263	I166-N170 WeakPolarHBondContact CG2-ND2 3.21Å; I166-N170 WeakPolarHBondContact O-CB 3.2Å; I166-N170 VanDerWaalsContact O-CG 3.29Å; I166-N170 PolarHBondContact O-N 2.94Å; I166-N170 PolarHBondContact O-ND2 3.15Å; T168-N170 PolarHBondContact O-N 3.38Å; N170-A174 WeakPolarHBondContact O-CB 3.41Å; N170-A174 PolarHBondContact O-N 3.33Å; N170-K263 PolarHBondContact OD1-NZ 3.32Å
171	K	84.3	Confident	83.2	Confident	139 Å²	139	52.6 Å²	52.6	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-65.5	-41.1	174.1	-71.8	177.4	177.1	-175.9	0	111.5	K167 T168 L169 A174 N175 M300	K167-K171 WeakPolarHBondContact O-CG 2.98Å; K167-K171 PolarHBondContact O-N 3.25Å; K167-K171 VanDerWaalsContact O-N 3.1Å; T168-K171 PolarHBondContact O-N 2.96Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 2.92Å; K171-A174 PolarHBondContact O-N 3.23Å; K171-N175 PolarHBondContact O-N 2.84Å; K171-M300 HydrophobicContact CB-CE 3.59Å
172	A	80.8	Confident	83.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-48	175.9	0	0	0	0	0	111.3	T168 L169 A174 N175 V176 I259 L299 M300	T168-A172 PolarHBondContact O-N 2.97Å; L169-A172 WeakPolarHBondContact O-CB 3.4Å; L169-A172 PolarHBondContact O-N 3.21Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.27Å; A172-N175 WeakPolarHBondContact O-CB 3.49Å; A172-N175 PolarHBondContact O-N 2.91Å; A172-N175 VanDerWaalsContact O-N 3.09Å; A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 3.42Å; A172-I259 HydrophobicContact CB-CD1 3.94Å; A172-L299 HydrophobicContact CB-CB 4.45Å; A172-L299 VanDerWaalsContact CB-O 3.31Å; A172-L299 WeakPolarHBondContact CB-O 3.41Å; A172-M300 HydrophobicContact CB-CE 3.82Å
173	A	84.9	Confident	83.3	Confident	22 Å²	22	54.1 Å²	54.1	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-43	176.2	0	0	0	0	0	112.3	L169 N175 V176 Q177 L256 I259	L169-A173 PolarHBondContact O-N 3.48Å; A173-N175 VanDerWaalsContact C-N 3.27Å; A173-N175 PolarHBondContact O-N 3Å; A173-V176 PolarHBondContact O-N 3.21Å; A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 3.2Å; A173-L256 HydrophobicContact CB-CD1 4.18Å; A173-I259 HydrophobicContact CB-CG2 3.96Å
174	A	85.5	Confident	83.4	Confident	50 Å²	50	56 Å²	56	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-33.3	176.7	0	0	0	0	0	112.6	N170 K171 A172 R178	N170-A174 WeakPolarHBondContact O-CB 3.41Å; N170-A174 PolarHBondContact O-N 3.33Å; K171-A174 PolarHBondContact O-N 3.23Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.27Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.35Å; A174-R178 VanDerWaalsContact O-N 3.17Å
175	N	82.2	Confident	83.4	Confident	42 Å²	42	57.6 Å²	57.6	23%	0.225	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-48.5	174.8	-70.3	-14.9	0	0	0	112	K171 A172 A173 Q177 R178 E179 M300 P302	K171-N175 PolarHBondContact O-N 2.84Å; A172-N175 WeakPolarHBondContact O-CB 3.49Å; A172-N175 PolarHBondContact O-N 2.91Å; A172-N175 VanDerWaalsContact O-N 3.09Å; A173-N175 VanDerWaalsContact C-N 3.27Å; A173-N175 PolarHBondContact O-N 3Å; N175-Q177 VanDerWaalsContact C-N 3.32Å; N175-Q177 PolarHBondContact O-N 2.73Å; N175-R178 WeakPolarHBondContact O-CB 3.38Å; N175-R178 PolarHBondContact O-N 3.4Å; N175-R178 PolarHBondContact OD1-NH1 3.32Å; N175-R178 PolarHBondContact OD1-NH2 3.04Å; N175-E179 PolarHBondContact O-N 3.04Å; N175-E179 VanDerWaalsContact O-N 3.1Å; N175-M300 PolarHBondContact ND2-O 3.34Å; N175-P302 HydrophobicContact CB-CG 4.22Å
176	V	81.2	Confident	83.3	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-42.9	177.2	176.1	0	0	0	0	111.2	A172 A173 R178 E179 L180 V252 Q255 L256 I259 P302	A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 3.42Å; A173-V176 PolarHBondContact O-N 3.21Å; V176-R178 VanDerWaalsContact C-N 3.3Å; V176-R178 PolarHBondContact O-N 3.26Å; V176-E179 PolarHBondContact O-N 2.94Å; V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 PolarHBondContact O-N 3.37Å; V176-V252 HydrophobicContact CG1-CG1 3.58Å; V176-Q255 HydrophobicContact CG2-CG 4.11Å; V176-L256 HydrophobicContact CG1-CB 4.24Å; V176-I259 HydrophobicContact CG2-CD1 4.01Å; V176-P302 HydrophobicContact CG2-CG 4.36Å
177	Q	83.7	Confident	83.3	Confident	99 Å²	99	58.8 Å²	58.8	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-35.4	178.4	-171.9	63.7	38.5	0	0	112.7	A173 N175 K181	A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 3.2Å; N175-Q177 VanDerWaalsContact C-N 3.32Å; N175-Q177 PolarHBondContact O-N 2.73Å; Q177-K181 PolarHBondContact O-N 2.82Å
178	R	82.2	Confident	83.4	Confident	124 Å²	124	58.5 Å²	58.5	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-48.7	176.7	-169.4	-170.8	-47	102.6	7.4	110.9	A174 N175 V176 L180 K181 L182	A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.35Å; A174-R178 VanDerWaalsContact O-N 3.17Å; N175-R178 WeakPolarHBondContact O-CB 3.38Å; N175-R178 PolarHBondContact O-N 3.4Å; N175-R178 PolarHBondContact OD1-NH1 3.32Å; N175-R178 PolarHBondContact OD1-NH2 3.04Å; V176-R178 VanDerWaalsContact C-N 3.3Å; V176-R178 PolarHBondContact O-N 3.26Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.01Å; R178-K181 PolarHBondContact O-N 3.28Å; R178-L182 WeakPolarHBondContact O-CG 3.23Å; R178-L182 PolarHBondContact O-N 3.42Å
179	E	78.9	Confident	83.4	Confident	43 Å²	43	60.5 Å²	60.5	20%	0.201	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-40.3	176.8	-72.5	-52.6	130	0	0	112	N175 V176 K181 L182 L183 P302 S306	N175-E179 PolarHBondContact O-N 3.04Å; N175-E179 VanDerWaalsContact O-N 3.1Å; V176-E179 PolarHBondContact O-N 2.94Å; E179-K181 VanDerWaalsContact C-N 3.31Å; E179-K181 PolarHBondContact O-N 2.89Å; E179-L182 PolarHBondContact O-N 3.28Å; E179-L183 WeakPolarHBondContact O-CB 3.48Å; E179-L183 PolarHBondContact O-N 3.49Å; E179-P302 HydrophobicContact CB-CB 4.36Å; E179-P302 HydrophobicContact CB-CG 4.32Å; E179-P302 HydrophobicContact CG-CB 3.82Å; E179-P302 HydrophobicContact CG-CG 3.51Å; E179-S306 PolarHBondContact OE2-N 3.33Å
180	L	82.4	Confident	83.4	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-40.3	177.7	-169.6	131.7	0	0	0	112.2	V176 R178 L183 E184 V252 K253	V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 PolarHBondContact O-N 3.37Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.01Å; L180-L183 PolarHBondContact O-N 3Å; L180-E184 WeakPolarHBondContact O-CG 3.36Å; L180-E184 PolarHBondContact O-N 2.96Å; L180-V252 HydrophobicContact CB-CG1 4.12Å; L180-V252 HydrophobicContact CD1-CB 4.37Å; L180-V252 HydrophobicContact CD1-CG1 3.82Å; L180-K253 HydrophobicContact CD1-CG 4.28Å
181	K	85.3	Confident	83.4	Confident	124 Å²	124	61.4 Å²	61.4	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-40.9	175.9	-173.6	179.8	178.5	-178	0	112.2	Q177 R178 E179 L183 E184 Q185	Q177-K181 PolarHBondContact O-N 2.82Å; R178-K181 PolarHBondContact O-N 3.28Å; E179-K181 VanDerWaalsContact C-N 3.31Å; E179-K181 PolarHBondContact O-N 2.89Å; K181-L183 VanDerWaalsContact C-N 3.29Å; K181-E184 PolarHBondContact O-N 3.43Å; K181-Q185 WeakPolarHBondContact O-CG 3.4Å; K181-Q185 PolarHBondContact O-N 3.36Å; K181-Q185 VanDerWaalsContact O-N 3.17Å
182	L	83.6	Confident	83.6	Confident	66 Å²	66	58.3 Å²	58.3	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-37.3	175.9	-67.4	175.6	0	0	0	111.2	R178 E179 Q185 S186	R178-L182 WeakPolarHBondContact O-CG 3.23Å; R178-L182 PolarHBondContact O-N 3.42Å; E179-L182 PolarHBondContact O-N 3.28Å; L182-Q185 PolarHBondContact O-N 3.09Å; L182-S186 WeakPolarHBondContact O-CB 3.4Å; L182-S186 PolarHBondContact O-N 3.23Å
183	L	81.5	Confident	83.8	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-45.7	176.1	177.1	63.1	0	0	0	111.2	E179 L180 K181 Q185 S186 V187 I248 T249 V308	E179-L183 WeakPolarHBondContact O-CB 3.48Å; E179-L183 PolarHBondContact O-N 3.49Å; L180-L183 PolarHBondContact O-N 3Å; K181-L183 VanDerWaalsContact C-N 3.29Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.44Å; L183-S186 PolarHBondContact O-N 3.16Å; L183-V187 HydrophobicContact CD1-CG2 4.23Å; L183-V187 WeakPolarHBondContact O-CB 3.49Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.31Å; L183-V187 PolarHBondContact O-N 3.49Å; L183-I248 HydrophobicContact CD1-CG2 4.06Å; L183-I248 HydrophobicContact CD2-CG2 4.06Å; L183-T249 HydrophobicContact CD2-CG2 4.16Å; L183-V308 HydrophobicContact CD1-CG2 3.57Å
184	E	83.8	Confident	83.7	Confident	112 Å²	112	62.7 Å²	62.7	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-44.2	175.3	-74	172.4	170.8	0	0	111.7	L180 K181 V187 E188	L180-E184 WeakPolarHBondContact O-CG 3.36Å; L180-E184 PolarHBondContact O-N 2.96Å; K181-E184 PolarHBondContact O-N 3.43Å; E184-V187 PolarHBondContact O-N 3.31Å; E184-E188 PolarHBondContact O-N 3.02Å
185	Q	85.1	Confident	83.7	Confident	102 Å²	102	64.4 Å²	64.4	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-65.8	-41.4	176.9	-69.4	176.9	-24.4	0	0	112.7	K181 L182 L183 E188 S189	K181-Q185 WeakPolarHBondContact O-CG 3.4Å; K181-Q185 PolarHBondContact O-N 3.36Å; K181-Q185 VanDerWaalsContact O-N 3.17Å; L182-Q185 PolarHBondContact O-N 3.09Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.44Å; Q185-E188 PolarHBondContact O-N 3.42Å; Q185-S189 WeakPolarHBondContact O-CB 3.43Å; Q185-S189 PolarHBondContact O-N 3.48Å
186	S	81	Confident	83.8	Confident	26 Å²	26	66.9 Å²	66.9	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-40.5	178.2	-177.3	0	0	0	0	111.5	L182 L183 V190 S306 V308	L182-S186 WeakPolarHBondContact O-CB 3.4Å; L182-S186 PolarHBondContact O-N 3.23Å; L183-S186 PolarHBondContact O-N 3.16Å; S186-V190 WeakPolarHBondContact O-CB 3.49Å; S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.5Å; S186-V190 PolarHBondContact O-N 3.24Å; S186-S306 WeakPolarHBondContact CB-O 3.5Å; S186-S306 PolarHBondContact OG-O 3.35Å; S186-V308 WeakPolarHBondContact OG-CB 3.28Å; S186-V308 PolarHBondContact OG-N 3.1Å; S186-V308 PolarHBondContact OG-O 3.05Å
187	V	85	Confident	83.8	Confident	27 Å²	27	67.2 Å²	67.2	16%	0.164	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-45.6	174.2	168.7	0	0	0	0	111.6	L183 E184 V190 T191 L245 V308	L183-V187 HydrophobicContact CD1-CG2 4.23Å; L183-V187 WeakPolarHBondContact O-CB 3.49Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.31Å; L183-V187 PolarHBondContact O-N 3.49Å; E184-V187 PolarHBondContact O-N 3.31Å; V187-V190 PolarHBondContact O-N 3.35Å; V187-T191 WeakPolarHBondContact O-CB 3.37Å; V187-T191 PolarHBondContact O-N 3.18Å; V187-T191 PolarHBondContact O-OG1 3.42Å; V187-L245 HydrophobicContact CB-CD1 4.42Å; V187-L245 HydrophobicContact CG1-CD1 3.76Å; V187-L245 HydrophobicContact CG2-CD1 4.06Å; V187-V308 HydrophobicContact CG2-CG2 4.08Å
188	E	85.7	Confident	83.7	Confident	136 Å²	136	67.9 Å²	67.9	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-46.5	178.6	-174.2	175.9	-167.4	0	0	111	E184 Q185 V190 T191 V192	E184-E188 PolarHBondContact O-N 3.02Å; Q185-E188 PolarHBondContact O-N 3.42Å; E188-V190 PolarHBondContact O-N 3.03Å; E188-T191 WeakPolarHBondContact O-CB 3.19Å; E188-T191 PolarHBondContact O-N 3.37Å; E188-V192 WeakPolarHBondContact O-CG2 3.43Å; E188-V192 PolarHBondContact O-N 3.08Å; E188-V192 VanDerWaalsContact O-N 3.1Å
189	S	83.8	Confident	83.8	Confident	65 Å²	65	64.9 Å²	64.9	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-49.7	175.6	-170	0	0	0	0	111.9	Q185 T191 V192 D193	Q185-S189 WeakPolarHBondContact O-CB 3.43Å; Q185-S189 PolarHBondContact O-N 3.48Å; S189-T191 VanDerWaalsContact C-N 3.28Å; S189-T191 PolarHBondContact O-N 3.14Å; S189-V192 PolarHBondContact O-N 2.91Å; S189-D193 VanDerWaalsContact O-CG 3.3Å; S189-D193 PolarHBondContact O-N 3.36Å
190	V	85.3	Confident	83.9	Confident	18 Å²	18	67.1 Å²	67.1	11%	0.109	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-35.4	179.5	161.9	0	0	0	0	112.1	S186 V187 E188 D193 I194 V308 F310	S186-V190 WeakPolarHBondContact O-CB 3.49Å; S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.5Å; S186-V190 PolarHBondContact O-N 3.24Å; V187-V190 PolarHBondContact O-N 3.35Å; E188-V190 PolarHBondContact O-N 3.03Å; V190-D193 PolarHBondContact O-N 2.83Å; V190-I194 HydrophobicContact CG1-CD1 3.97Å; V190-I194 VanDerWaalsContact O-CG1 3.29Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.33Å; V190-V308 HydrophobicContact CB-CG1 4.31Å; V190-V308 HydrophobicContact CG1-CG1 4.2Å; V190-V308 HydrophobicContact CG2-CB 4.28Å; V190-V308 HydrophobicContact CG2-CG1 4.02Å; V190-V308 WeakPolarHBondContact CG2-O 3.36Å; V190-F310 HydrophobicContact CG1-CB 4.01Å
191	T	86.4	Confident	83.8	Confident	68 Å²	68	68.5 Å²	68.5	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-45.3	176.8	-55.5	0	0	0	0	110.9	V187 E188 S189 D193 I194 D195	V187-T191 WeakPolarHBondContact O-CB 3.37Å; V187-T191 PolarHBondContact O-N 3.18Å; V187-T191 PolarHBondContact O-OG1 3.42Å; E188-T191 WeakPolarHBondContact O-CB 3.19Å; E188-T191 PolarHBondContact O-N 3.37Å; S189-T191 VanDerWaalsContact C-N 3.28Å; S189-T191 PolarHBondContact O-N 3.14Å; T191-D193 VanDerWaalsContact C-N 3.33Å; T191-D193 PolarHBondContact O-N 3.33Å; T191-I194 PolarHBondContact O-N 3.02Å; T191-D195 PolarHBondContact O-N 3.18Å
192	V	87.2	Confident	83.7	Confident	74 Å²	74	67.1 Å²	67.1	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-41	175.3	172.9	0	0	0	0	111.4	E188 S189 I194 D195 N196	E188-V192 WeakPolarHBondContact O-CG2 3.43Å; E188-V192 PolarHBondContact O-N 3.08Å; E188-V192 VanDerWaalsContact O-N 3.1Å; S189-V192 PolarHBondContact O-N 2.91Å; V192-I194 VanDerWaalsContact C-N 3.33Å; V192-I194 PolarHBondContact O-N 2.86Å; V192-D195 PolarHBondContact O-N 2.75Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.42Å; V192-N196 WeakPolarHBondContact O-CB 3.44Å; V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.39Å; V192-N196 PolarHBondContact O-ND2 2.94Å; V192-N196 VanDerWaalsContact O-ND2 3.16Å
193	D	84.4	Confident	83.8	Confident	68 Å²	68	70.7 Å²	70.7	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-36.8	178.8	-67.8	-26.5	0	0	0	112.7	S189 V190 T191 A197 F310 R312	S189-D193 VanDerWaalsContact O-CG 3.3Å; S189-D193 PolarHBondContact O-N 3.36Å; V190-D193 PolarHBondContact O-N 2.83Å; T191-D193 VanDerWaalsContact C-N 3.33Å; T191-D193 PolarHBondContact O-N 3.33Å; D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.39Å; D193-A197 VanDerWaalsContact O-N 3.11Å; D193-F310 HydrophobicContact CB-CD1 4.05Å; D193-R312 PolarHBondContact O-NH2 2.94Å
194	I	83.2	Confident	83.8	Confident	46 Å²	46	71.4 Å²	71.4	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-52.4	173.6	-70.1	167.4	0	0	0	110.1	V190 T191 V192 N196 A197 F198 F310	V190-I194 HydrophobicContact CG1-CD1 3.97Å; V190-I194 VanDerWaalsContact O-CG1 3.29Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.33Å; T191-I194 PolarHBondContact O-N 3.02Å; V192-I194 VanDerWaalsContact C-N 3.33Å; V192-I194 PolarHBondContact O-N 2.86Å; I194-N196 VanDerWaalsContact C-N 3.27Å; I194-N196 PolarHBondContact O-N 3.04Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.31Å; I194-F198 HydrophobicContact CG2-CD2 3.79Å; I194-F198 HydrophobicContact CG2-CE2 4Å; I194-F198 WeakPolarHBondContact O-CD2 3.45Å; I194-F198 PolarHBondContact O-N 2.95Å; I194-F310 HydrophobicContact CD1-CD2 4.49Å; I194-F310 HydrophobicContact CG1-CB 4.36Å; I194-F310 HydrophobicContact CG1-CD1 4.07Å; I194-F310 HydrophobicContact CG1-CD2 3.89Å; I194-F310 HydrophobicContact CG1-CE1 4.3Å; I194-F310 HydrophobicContact CG1-CE2 4.15Å; I194-F310 HydrophobicContact CG1-CG 3.86Å; I194-F310 HydrophobicContact CG1-CZ 4.35Å
195	D	85.6	Confident	83.8	Confident	86 Å²	86	69.1 Å²	69.1	46%	0.46	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-39.6	-178.3	-78.3	-24.9	0	0	0	111.9	T191 V192 S199	T191-D195 PolarHBondContact O-N 3.18Å; V192-D195 PolarHBondContact O-N 2.75Å; D195-S199 WeakPolarHBondContact O-CB 3.32Å; D195-S199 PolarHBondContact O-N 3.48Å; D195-S199 PolarHBondContact O-OG 3.17Å
196	N	84.6	Confident	83.8	Confident	94 Å²	94	69.1 Å²	69.1	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-43.5	174.8	-72.7	-29.7	0	0	0	111.9	V192 I194 S199 E200	V192-N196 WeakPolarHBondContact CG1-ND2 3.42Å; V192-N196 WeakPolarHBondContact O-CB 3.44Å; V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.39Å; V192-N196 PolarHBondContact O-ND2 2.94Å; V192-N196 VanDerWaalsContact O-ND2 3.16Å; I194-N196 VanDerWaalsContact C-N 3.27Å; I194-N196 PolarHBondContact O-N 3.04Å; N196-S199 PolarHBondContact O-N 3.06Å; N196-E200 PolarHBondContact O-N 3.4Å; N196-E200 VanDerWaalsContact O-N 3.15Å
197	A	80.4	Confident	83.9	Confident	8 Å²	8	73.2 Å²	73.2	7%	0.066	38%	0.384	C	S	.	.	H	α-helix	trans	-58.3	-52.4	177.1	0	0	0	0	0	111.6	D193 I194 S199 E200 L201 F310	D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.39Å; D193-A197 VanDerWaalsContact O-N 3.11Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.31Å; A197-S199 VanDerWaalsContact C-N 3.33Å; A197-S199 PolarHBondContact O-N 2.92Å; A197-E200 WeakPolarHBondContact O-CB 3.45Å; A197-E200 PolarHBondContact O-N 2.92Å; A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 3.25Å; A197-L201 VanDerWaalsContact O-N 3.12Å; A197-F310 HydrophobicContact CB-CE1 3.85Å; A197-F310 HydrophobicContact CB-CZ 4.14Å
198	F	82.6	Confident	83.8	Confident	113 Å²	113	73.5 Å²	73.5	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-71.8	-29.9	-177.1	-80.3	-87.6	0	0	0	112	I194 E200 L201 N202	I194-F198 HydrophobicContact CG2-CD2 3.79Å; I194-F198 HydrophobicContact CG2-CE2 4Å; I194-F198 WeakPolarHBondContact O-CD2 3.45Å; I194-F198 PolarHBondContact O-N 2.95Å; F198-E200 VanDerWaalsContact C-N 3.31Å; F198-E200 PolarHBondContact O-N 3.46Å; F198-L201 PolarHBondContact O-N 3.23Å; F198-N202 WeakPolarHBondContact O-CB 3.41Å; F198-N202 PolarHBondContact O-N 3.1Å; F198-N202 PolarHBondContact O-ND2 3.42Å; F198-N202 VanDerWaalsContact O-ND2 3.13Å
199	S	84.3	Confident	83.7	Confident	61 Å²	61	71.8 Å²	71.8	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-37.1	172.4	-67.2	0	0	0	0	112.5	D195 N196 A197 K203	D195-S199 WeakPolarHBondContact O-CB 3.32Å; D195-S199 PolarHBondContact O-N 3.48Å; D195-S199 PolarHBondContact O-OG 3.17Å; N196-S199 PolarHBondContact O-N 3.06Å; A197-S199 VanDerWaalsContact C-N 3.33Å; A197-S199 PolarHBondContact O-N 2.92Å; S199-K203 WeakPolarHBondContact O-CG 3.46Å; S199-K203 PolarHBondContact O-N 3.21Å
200	E	81.4	Confident	83.5	Confident	90 Å²	90	71.4 Å²	71.4	42%	0.421	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-50.9	174	-176.7	173.5	-159.2	0	0	111.2	N196 A197 F198 N202 K203 I204	N196-E200 PolarHBondContact O-N 3.4Å; N196-E200 VanDerWaalsContact O-N 3.15Å; A197-E200 WeakPolarHBondContact O-CB 3.45Å; A197-E200 PolarHBondContact O-N 2.92Å; F198-E200 VanDerWaalsContact C-N 3.31Å; F198-E200 PolarHBondContact O-N 3.46Å; E200-N202 VanDerWaalsContact C-N 3.34Å; E200-N202 PolarHBondContact O-N 3.19Å; E200-K203 WeakPolarHBondContact O-CB 3.42Å; E200-K203 PolarHBondContact O-N 2.95Å; E200-K203 VanDerWaalsContact O-N 3.1Å; E200-I204 PolarHBondContact O-N 3.02Å
201	L	79.9	Confident	83.2	Confident	48 Å²	48	74.7 Å²	74.7	25%	0.251	39%	0.387	S	S	.	.	H	α-helix	trans	-59.6	-42.9	178.2	-63.5	179.8	0	0	0	112.4	A197 F198 K203 I204 V205 V324	A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 3.25Å; A197-L201 VanDerWaalsContact O-N 3.12Å; F198-L201 PolarHBondContact O-N 3.23Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 2.88Å; L201-I204 HydrophobicContact CD2-CD1 4.49Å; L201-I204 PolarHBondContact O-N 2.97Å; L201-I204 VanDerWaalsContact O-N 3.12Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.1Å; L201-V324 HydrophobicContact CD2-CB 3.95Å; L201-V324 HydrophobicContact CD2-CG1 3.93Å; L201-V324 HydrophobicContact CD2-CG2 3.85Å
202	N	84.1	Confident	82.7	Confident	94 Å²	94	72.9 Å²	72.9	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-60.3	-34.6	177.2	-77.3	-28.3	0	0	0	112.2	F198 E200 E206	F198-N202 WeakPolarHBondContact O-CB 3.41Å; F198-N202 PolarHBondContact O-N 3.1Å; F198-N202 PolarHBondContact O-ND2 3.42Å; F198-N202 VanDerWaalsContact O-ND2 3.13Å; E200-N202 VanDerWaalsContact C-N 3.34Å; E200-N202 PolarHBondContact O-N 3.19Å; N202-E206 WeakPolarHBondContact O-CB 3.35Å; N202-E206 WeakPolarHBondContact O-CG 3.4Å; N202-E206 PolarHBondContact O-N 2.92Å
203	K	84.1	Confident	82.4	Confident	142 Å²	142	74.5 Å²	74.5	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-64.9	-44.5	174.1	-73.2	170.2	-175.7	174.1	0	111.6	S199 E200 L201 V205 E206 Q207	S199-K203 WeakPolarHBondContact O-CG 3.46Å; S199-K203 PolarHBondContact O-N 3.21Å; E200-K203 WeakPolarHBondContact O-CB 3.42Å; E200-K203 PolarHBondContact O-N 2.95Å; E200-K203 VanDerWaalsContact O-N 3.1Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 2.88Å; K203-V205 VanDerWaalsContact C-N 3.33Å; K203-V205 PolarHBondContact O-N 3.49Å; K203-E206 PolarHBondContact O-N 3.37Å; K203-Q207 WeakPolarHBondContact O-CB 3.46Å; K203-Q207 VanDerWaalsContact O-CG 3.25Å; K203-Q207 WeakPolarHBondContact O-CG 3.47Å; K203-Q207 PolarHBondContact O-N 3.06Å
204	I	82.7	Confident	82	Confident	22 Å²	22	78 Å²	78	11%	0.113	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-42.7	179.4	-52.1	171.2	0	0	0	109.8	E200 L201 Q207 R208 A321 E325 L328	E200-I204 PolarHBondContact O-N 3.02Å; L201-I204 HydrophobicContact CD2-CD1 4.49Å; L201-I204 PolarHBondContact O-N 2.97Å; L201-I204 VanDerWaalsContact O-N 3.12Å; I204-Q207 PolarHBondContact O-N 3.05Å; I204-R208 PolarHBondContact O-N 3.42Å; I204-A321 HydrophobicContact CD1-CB 4.24Å; I204-E325 HydrophobicContact CG2-CB 4.11Å; I204-E325 HydrophobicContact CG2-CG 4.28Å; I204-L328 HydrophobicContact CB-CD1 4.01Å; I204-L328 HydrophobicContact CG2-CD1 3.5Å
205	V	82.3	Confident	81.6	Confident	63 Å²	63	80.2 Å²	80.2	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-49.3	175.8	173.6	0	0	0	0	111.7	L201 K203 Q207 R208 K209 L328	L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.1Å; K203-V205 VanDerWaalsContact C-N 3.33Å; K203-V205 PolarHBondContact O-N 3.49Å; V205-Q207 VanDerWaalsContact C-N 3.34Å; V205-Q207 PolarHBondContact O-N 3.3Å; V205-R208 PolarHBondContact O-N 3.37Å; V205-K209 WeakPolarHBondContact O-CB 3.37Å; V205-K209 PolarHBondContact O-N 3.43Å; V205-L328 HydrophobicContact CG2-CD1 3.75Å; V205-L328 HydrophobicContact CG2-CD2 4.23Å
206	E	85.2	Confident	80.9	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-34.8	179.3	-77.1	-63.4	149	0	0	112.3	N202 K203 K209 A210	N202-E206 WeakPolarHBondContact O-CB 3.35Å; N202-E206 WeakPolarHBondContact O-CG 3.4Å; N202-E206 PolarHBondContact O-N 2.92Å; K203-E206 PolarHBondContact O-N 3.37Å; E206-K209 VanDerWaalsContact CD-NZ 3.29Å; E206-K209 PolarHBondContact O-N 3.39Å; E206-K209 IonicContact OE1-NZ 2.82Å; E206-K209 PolarHBondContact OE1-NZ 3.34Å; E206-K209 WeakPolarHBondContact OE2-CD 3.47Å; E206-K209 IonicContact OE2-NZ 2.73Å; E206-K209 PolarHBondContact OE2-NZ 3.09Å; E206-A210 WeakPolarHBondContact O-CB 3.41Å; E206-A210 PolarHBondContact O-N 3.46Å
207	Q	82.9	Confident	80.2	Confident	112 Å²	112	77.7 Å²	77.7	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-62.8	-47.6	172.2	-76.7	175.3	1.7	0	0	111.7	K203 I204 V205 K209 A210 Q211	K203-Q207 WeakPolarHBondContact O-CB 3.46Å; K203-Q207 VanDerWaalsContact O-CG 3.25Å; K203-Q207 WeakPolarHBondContact O-CG 3.47Å; K203-Q207 PolarHBondContact O-N 3.06Å; I204-Q207 PolarHBondContact O-N 3.05Å; V205-Q207 VanDerWaalsContact C-N 3.34Å; V205-Q207 PolarHBondContact O-N 3.3Å; Q207-K209 VanDerWaalsContact C-N 3.33Å; Q207-K209 PolarHBondContact O-N 3.02Å; Q207-A210 PolarHBondContact O-N 3.32Å; Q207-Q211 WeakPolarHBondContact O-CG 3.3Å; Q207-Q211 PolarHBondContact O-N 3.39Å
208	R	84.7	Confident	79.6	Confident	33 Å²	33	78.9 Å²	78.9	13%	0.125	41%	0.413	C	S	.	.	H	α-helix	trans	-60.4	-43.9	177.7	177.3	57.7	-175.3	161	-6.9	111.7	I204 V205 A210 Q211 L212 L328 L329 F331 G332	I204-R208 PolarHBondContact O-N 3.42Å; V205-R208 PolarHBondContact O-N 3.37Å; R208-A210 PolarHBondContact O-N 3.13Å; R208-Q211 WeakPolarHBondContact O-CB 3.34Å; R208-Q211 PolarHBondContact O-N 3.07Å; R208-L212 HydrophobicContact CG-CD1 4.38Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å; R208-L212 PolarHBondContact O-N 3.21Å; R208-L328 HydrophobicContact CB-CB 4.43Å; R208-L328 VanDerWaalsContact CD-O 3.23Å; R208-L328 WeakPolarHBondContact CD-O 3.2Å; R208-L328 HydrophobicContact CG-CB 4.34Å; R208-L328 WeakPolarHBondContact CG-O 3.34Å; R208-L328 PolarHBondContact NE-O 3.31Å; R208-L329 PolarHBondContact NH2-O 3.22Å; R208-F331 PolarHBondContact NE-O 3.25Å; R208-F331 PolarHBondContact NH2-O 2.95Å; R208-G332 PolarHBondContact NH2-O 2.71Å
209	K	82.7	Confident	79	Confident	100 Å²	100	75.5 Å²	75.5	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-45.7	174.2	174.5	-178	162.9	-153.6	0	111.8	V205 E206 Q207 Q211 L212 L213	V205-K209 WeakPolarHBondContact O-CB 3.37Å; V205-K209 PolarHBondContact O-N 3.43Å; E206-K209 VanDerWaalsContact CD-NZ 3.29Å; E206-K209 PolarHBondContact O-N 3.39Å; E206-K209 IonicContact OE1-NZ 2.82Å; E206-K209 PolarHBondContact OE1-NZ 3.34Å; E206-K209 WeakPolarHBondContact OE2-CD 3.47Å; E206-K209 IonicContact OE2-NZ 2.73Å; E206-K209 PolarHBondContact OE2-NZ 3.09Å; Q207-K209 VanDerWaalsContact C-N 3.33Å; Q207-K209 PolarHBondContact O-N 3.02Å; K209-Q211 PolarHBondContact O-N 2.66Å; K209-L212 PolarHBondContact O-N 2.86Å; K209-L213 HydrophobicContact CG-CD1 4.25Å; K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 2.82Å
210	A	79.9	Confident	78.2	Confident	56 Å²	56	78.8 Å²	78.8	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-41.9	177.2	0	0	0	0	0	112.4	E206 Q207 R208 L213 Q214	E206-A210 WeakPolarHBondContact O-CB 3.41Å; E206-A210 PolarHBondContact O-N 3.46Å; Q207-A210 PolarHBondContact O-N 3.32Å; R208-A210 PolarHBondContact O-N 3.13Å; A210-L213 PolarHBondContact O-N 3.18Å; A210-Q214 WeakPolarHBondContact O-CB 3.43Å; A210-Q214 PolarHBondContact O-N 3.08Å
211	Q	78.3	Confident	77.4	Confident	87 Å²	87	80.8 Å²	80.8	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-60.1	-46.4	174.8	-70.5	172.4	-0.8	0	0	111.9	Q207 R208 K209 L213 Q214 L215	Q207-Q211 WeakPolarHBondContact O-CG 3.3Å; Q207-Q211 PolarHBondContact O-N 3.39Å; R208-Q211 WeakPolarHBondContact O-CB 3.34Å; R208-Q211 PolarHBondContact O-N 3.07Å; K209-Q211 PolarHBondContact O-N 2.66Å; Q211-L213 PolarHBondContact O-N 3.5Å; Q211-Q214 PolarHBondContact O-N 2.94Å; Q211-L215 WeakPolarHBondContact O-CG 3.31Å; Q211-L215 PolarHBondContact O-N 3.41Å
212	L	76	Confident	76.5	Confident	30 Å²	30	81.7 Å²	81.7	16%	0.157	43%	0.432	C	S	.	.	H	α-helix	trans	-61.7	-43.2	177.5	-73.7	171.7	0	0	0	111.7	R208 K209 Q214 L215 V216 V334	R208-L212 HydrophobicContact CG-CD1 4.38Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å; R208-L212 PolarHBondContact O-N 3.21Å; K209-L212 PolarHBondContact O-N 2.86Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 3.48Å; L212-L215 PolarHBondContact O-N 3.09Å; L212-V216 WeakPolarHBondContact O-CG2 3.43Å; L212-V216 PolarHBondContact O-N 3.07Å; L212-V334 HydrophobicContact CD2-CG2 4.01Å
213	L	80.6	Confident	75.4	Confident	109 Å²	109	82.2 Å²	82.2	57%	0.571	43%	0.43	S	S	*	.	H	α-helix	trans	-62	-40.1	175.8	-71.9	171.5	0	0	0	112.1	K209 A210 Q211 V216 S217	K209-L213 HydrophobicContact CG-CD1 4.25Å; K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 2.82Å; A210-L213 PolarHBondContact O-N 3.18Å; Q211-L213 PolarHBondContact O-N 3.5Å; L213-V216 PolarHBondContact O-N 2.87Å; L213-S217 PolarHBondContact O-N 3.32Å; L213-S217 PolarHBondContact O-OG 3.4Å
214	Q	76.4	Confident	73.6	Confident	140 Å²	140	77 Å²	77	65%	0.654	42%	0.416	S	S	*	.	H	α-helix	trans	-65.6	-39.2	175.6	-171.8	-177.1	8.3	0	0	112.2	A210 Q211 L212 S217 G218	A210-Q214 WeakPolarHBondContact O-CB 3.43Å; A210-Q214 PolarHBondContact O-N 3.08Å; Q211-Q214 PolarHBondContact O-N 2.94Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 3.48Å; Q214-S217 WeakPolarHBondContact CA-OG 3.49Å; Q214-S217 PolarHBondContact O-N 3.41Å; Q214-S217 PolarHBondContact O-OG 3.42Å; Q214-G218 PolarHBondContact O-N 2.99Å
215	L	74.5	Confident	72.1	Confident	93 Å²	93	84.4 Å²	84.4	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-44.5	173.6	-72.5	170.6	0	0	0	110.9	Q211 L212 S217 G218 V219 V334	Q211-L215 WeakPolarHBondContact O-CG 3.31Å; Q211-L215 PolarHBondContact O-N 3.41Å; L212-L215 PolarHBondContact O-N 3.09Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.06Å; L215-G218 PolarHBondContact O-N 3.04Å; L215-V219 WeakPolarHBondContact O-CB 3.34Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 3.17Å; L215-V334 HydrophobicContact CB-CB 4.34Å; L215-V334 HydrophobicContact CB-CG2 4.16Å
216	V	70.8	Confident	70.7	Confident	74 Å²	74	86.7 Å²	86.7	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.1	173.6	0	0	0	0	111.3	L212 L213 V219 K220 V334	L212-V216 WeakPolarHBondContact O-CG2 3.43Å; L212-V216 PolarHBondContact O-N 3.07Å; L213-V216 PolarHBondContact O-N 2.87Å; V216-V219 PolarHBondContact O-N 3.04Å; V216-K220 VanDerWaalsContact O-CB 3.31Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 PolarHBondContact O-N 3.37Å; V216-V334 HydrophobicContact CG2-CB 4.47Å; V216-V334 HydrophobicContact CG2-CG1 3.96Å; V216-V334 HydrophobicContact CG2-CG2 3.6Å
217	S	69.9	Low	68.5	Low	54 Å²	54	88.5 Å²	88.5	38%	0.378	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-41.7	177.4	58.7	0	0	0	0	112.1	L213 Q214 L215 K220 E221	L213-S217 PolarHBondContact O-N 3.32Å; L213-S217 PolarHBondContact O-OG 3.4Å; Q214-S217 WeakPolarHBondContact CA-OG 3.49Å; Q214-S217 PolarHBondContact O-N 3.41Å; Q214-S217 PolarHBondContact O-OG 3.42Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.06Å; S217-K220 CarbonylContact O-C 3.59Å; S217-K220 WeakPolarHBondContact O-CB 3.46Å; S217-K220 PolarHBondContact O-N 3.37Å; S217-E221 WeakPolarHBondContact O-CG 3.45Å; S217-E221 PolarHBondContact O-N 3.22Å
218	G	68.8	Low	66.1	Low	33 Å²	33	91.8 Å²	91.8	34%	0.34	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-40.5	176.3	0	0	0	0	0	112.8	Q214 L215 E221 A222	Q214-G218 PolarHBondContact O-N 2.99Å; L215-G218 PolarHBondContact O-N 3.04Å; G218-E221 PolarHBondContact O-N 3.1Å; G218-A222 WeakPolarHBondContact O-CB 3.36Å; G218-A222 PolarHBondContact O-N 3.4Å
219	V	69.5	Low	63.5	Low	42 Å²	42	96.4 Å²	96.4	26%	0.255	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-44.5	172	166.5	0	0	0	0	111	L215 V216 E221 A222 K223 V334 V336	L215-V219 WeakPolarHBondContact O-CB 3.34Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 3.17Å; V216-V219 PolarHBondContact O-N 3.04Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 PolarHBondContact O-N 2.89Å; V219-A222 PolarHBondContact O-N 2.83Å; V219-K223 HydrophobicContact CG1-CD 4.35Å; V219-K223 WeakPolarHBondContact O-CB 3.44Å; V219-K223 PolarHBondContact O-N 3.22Å; V219-V334 HydrophobicContact CG2-CG1 4.15Å; V219-V336 HydrophobicContact CB-CG2 4.02Å; V219-V336 HydrophobicContact CG1-CG2 3.29Å; V219-V336 HydrophobicContact CG2-CG2 3.45Å; V219-V336 VanDerWaalsContact CG2-CG2 3.45Å
220	K	68.5	Low	60.9	Low	129 Å²	129	94.8 Å²	94.8	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-62.7	-36	176.2	179.8	-172.3	171.9	-169.4	0	111.3	V216 S217 G224	V216-K220 VanDerWaalsContact O-CB 3.31Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 PolarHBondContact O-N 3.37Å; S217-K220 CarbonylContact O-C 3.59Å; S217-K220 WeakPolarHBondContact O-CB 3.46Å; S217-K220 PolarHBondContact O-N 3.37Å; K220-G224 WeakPolarHBondContact O-CA 3.44Å; K220-G224 PolarHBondContact O-N 3.03Å
221	E	62.7	Low	58.4	Low	132 Å²	132	97.1 Å²	97.1	62%	0.617	54%	0.541	S	S	*	.	H	α-helix	trans	-69.5	-46.5	175.7	-74.7	170.6	-173.4	0	0	111.2	S217 G218 V219 G224 Q225	S217-E221 WeakPolarHBondContact O-CG 3.45Å; S217-E221 PolarHBondContact O-N 3.22Å; G218-E221 PolarHBondContact O-N 3.1Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 PolarHBondContact O-N 2.89Å; E221-G224 PolarHBondContact O-N 2.87Å; E221-Q225 WeakPolarHBondContact O-CG 3.38Å; E221-Q225 PolarHBondContact O-N 3.26Å
222	A	61.4	Low	55.7	Low	67 Å²	67	103.3 Å²	103.3	55%	0.554	56%	0.562	S	S	*	*	H	α-helix	trans	-64.2	-44.8	178.3	0	0	0	0	0	112.7	G218 V219	G218-A222 WeakPolarHBondContact O-CB 3.36Å; G218-A222 PolarHBondContact O-N 3.4Å; V219-A222 PolarHBondContact O-N 2.83Å
223	K	61.1	Low	53.3	Low	106 Å²	106	112.8 Å²	112.8	46%	0.461	60%	0.596	S	S	.	*	H	α-helix	trans	-76.5	-31.6	174	-78.1	-167.5	168.3	-178	0	112.4	V219 V226 L227 V336	V219-K223 HydrophobicContact CG1-CD 4.35Å; V219-K223 WeakPolarHBondContact O-CB 3.44Å; V219-K223 PolarHBondContact O-N 3.22Å; K223-V226 CarbonylContact O-C 3.49Å; K223-V226 VanDerWaalsContact O-C 3.32Å; K223-V226 WeakPolarHBondContact O-CA 3.47Å; K223-V226 VanDerWaalsContact O-CB 3.26Å; K223-V226 WeakPolarHBondContact O-CB 3.41Å; K223-V226 PolarHBondContact O-N 2.98Å; K223-L227 PolarHBondContact O-N 3.17Å; K223-V336 VanDerWaalsContact CE-CG1 3.44Å
224	G	47.7	Very low	50.7	Low	31 Å²	31	113.8 Å²	113.8	32%	0.32	61%	0.607	S	S	.	*	H	α-helix	trans	-74.6	-27	-176.2	0	0	0	0	0	113.7	K220 E221 V226 L227	K220-G224 WeakPolarHBondContact O-CA 3.44Å; K220-G224 PolarHBondContact O-N 3.03Å; E221-G224 PolarHBondContact O-N 2.87Å; G224-V226 PolarHBondContact O-N 3.35Å; G224-L227 WeakPolarHBondContact CA-O 3.45Å
225	Q	50.5	Low	48.4	Very low	179 Å²	179	113.4 Å²	113.4	84%	0.836	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-16.3	161	-74.7	-179.5	15.1	0	0	112.2	E221	E221-Q225 WeakPolarHBondContact O-CG 3.38Å; E221-Q225 PolarHBondContact O-N 3.26Å
226	V	52.7	Low	46.4	Very low	110 Å²	110	113.4 Å²	113.4	67%	0.667	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-35.4	179	-172	0	0	0	0	112.2	K223 G224	K223-V226 CarbonylContact O-C 3.49Å; K223-V226 VanDerWaalsContact O-C 3.32Å; K223-V226 WeakPolarHBondContact O-CA 3.47Å; K223-V226 VanDerWaalsContact O-CB 3.26Å; K223-V226 WeakPolarHBondContact O-CB 3.41Å; K223-V226 PolarHBondContact O-N 2.98Å; G224-V226 PolarHBondContact O-N 3.35Å
227	L	39	Very low	44.4	Very low	141 Å²	141	115 Å²	115	74%	0.738	64%	0.635	S	S	*	*	S	Bend	trans	-156.1	119.2	-173.1	-65	169.8	0	0	0	112.2	K223 G224	K223-L227 PolarHBondContact O-N 3.17Å; G224-L227 WeakPolarHBondContact CA-O 3.45Å
228	Q	31.4	Very low	42.4	Very low	181 Å²	181	120.2 Å²	120.2	85%	0.846	65%	0.653	S	S	*	*			trans	-77	164.6	-174.2	-93.8	179.4	-11.2	0	0	116.6
229	V	31.1	Very low	40.6	Very low	131 Å²	131	123.2 Å²	123.2	79%	0.794	67%	0.674	S	S	*	*			trans	94.6	103.5	163.1	-167.6	0	0	0	0	116.3
230	A	27.2	Very low	38.7	Very low	65 Å²	65	129.3 Å²	129.3	54%	0.537	71%	0.705	S	S	.	*				62.4	132.6	95.4	0	0	0	0	0	114.5
231	S	27.4	Very low	36.9	Very low	106 Å²	106	131.9 Å²	131.9	74%	0.741	72%	0.719	S	S	*	*			cis	-178.8	159.1	48.5	6.1	0	0	0	0	113.2
232	Y	22.8	Very low	35.6	Very low	217 Å²	217	129.2 Å²	129.2	85%	0.851	73%	0.727	S	S	*	*			trans	3.6	144.1	158.3	-58.7	-85.1	0	0	0	125
233	W	26.3	Very low	34.5	Very low	229 Å²	229	133.2 Å²	133.2	87%	0.867	74%	0.738	S	S	*	*			trans	-154	145.2	143.4	-103.1	79.1	0	0	0	111.6	I235	W233-I235 HydrophobicContact CE3-CD1 3.99Å; W233-I235 HydrophobicContact CE3-CG1 4.28Å; W233-I235 HydrophobicContact CH2-CD1 4.38Å; W233-I235 HydrophobicContact CZ3-CD1 3.47Å; W233-I235 VanDerWaalsContact CZ3-CD1 3.47Å; W233-I235 HydrophobicContact CZ3-CG1 4.24Å
234	T	26	Very low	33.8	Very low	129 Å²	129	133.8 Å²	133.8	79%	0.791	75%	0.75	S	S	*	*			trans	-157.2	132.3	175.2	-62.4	0	0	0	0	109.3
235	I	27.5	Very low	33.6	Very low	132 Å²	132	137.1 Å²	137.1	68%	0.677	76%	0.76	S	S	*	*			trans	-145.3	133.5	167.6	-54.1	-179.3	0	0	0	109.4	W233	W233-I235 HydrophobicContact CE3-CD1 3.99Å; W233-I235 HydrophobicContact CE3-CG1 4.28Å; W233-I235 HydrophobicContact CH2-CD1 4.38Å; W233-I235 HydrophobicContact CZ3-CD1 3.47Å; W233-I235 VanDerWaalsContact CZ3-CD1 3.47Å; W233-I235 HydrophobicContact CZ3-CG1 4.24Å
236	P	31.3	Very low	33.7	Very low	93 Å²	93	132.4 Å²	132.4	60%	0.604	75%	0.747	S	S	*	*			trans	-96.6	158.2	175.4	27.3	-13.1	0	0	0	112.9
237	A	29.3	Very low	33.8	Very low	108 Å²	108	137.4 Å²	137.4	89%	0.893	75%	0.754	S	S	*	*			trans	-132.3	109.8	171.3	0	0	0	0	0	109.6
238	E	28.8	Very low	34.6	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	74%	0.737	S	S	*	*			trans	-102.3	155.3	172.7	-66.6	96.6	-171.2	0	0	113.1
239	A	30	Very low	35.9	Very low	95 Å²	95	126.6 Å²	126.6	79%	0.785	70%	0.702	S	S	*	*			trans	80.3	102.5	148.8	0	0	0	0	0	119.2
240	L	30	Very low	37.4	Very low	170 Å²	170	126.7 Å²	126.7	89%	0.89	69%	0.692	S	S	*	*			trans	-155.7	96.8	153.3	-141.1	114.9	0	0	0	112.2
241	Q	30.9	Very low	39.1	Very low	184 Å²	184	125.9 Å²	125.9	86%	0.86	68%	0.681	S	S	*	*			trans	-159.7	128.7	160.9	-122.9	122	8.1	0	0	111.9
242	G	34.5	Very low	40.7	Very low	76 Å²	76	121.1 Å²	121.1	78%	0.784	65%	0.648	S	S	*	*			trans	152.3	50.1	167.9	0	0	0	0	0	116.3
243	L	38.6	Very low	42.8	Very low	151 Å²	151	116.1 Å²	116.1	79%	0.791	63%	0.631	S	S	*	*	S	Bend	trans	-141.2	-6.4	176.5	-96.6	158	0	0	0	116.3
244	V	46.9	Very low	45	Very low	117 Å²	117	108.7 Å²	108.7	71%	0.709	61%	0.608	S	S	*	*	S	Bend	trans	-86.5	-32.7	-169.7	-177.2	0	0	0	0	113.5	S246 I248	V244-S246 PolarHBondContact O-N 3.47Å; V244-I248 HydrophobicContact CG1-CD1 4.49Å
245	L	44.4	Very low	47.4	Very low	101 Å²	101	102.7 Å²	102.7	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-68.8	-26.6	-170.7	-168.3	57.4	0	0	0	114.8	V187 R247 T249	V187-L245 HydrophobicContact CB-CD1 4.42Å; V187-L245 HydrophobicContact CG1-CD1 3.76Å; V187-L245 HydrophobicContact CG2-CD1 4.06Å; L245-R247 PolarHBondContact O-N 3.41Å; L245-T249 PolarHBondContact O-OG1 3.05Å
246	S	52.7	Low	49.7	Very low	81 Å²	81	97.9 Å²	97.9	57%	0.566	55%	0.547	S	S	*	.	H	α-helix	trans	-74.9	-23.2	-174.9	67.7	0	0	0	0	113.8	V244	V244-S246 PolarHBondContact O-N 3.47Å
247	R	53.5	Low	51.9	Low	214 Å²	214	97.4 Å²	97.4	81%	0.808	54%	0.539	S	S	*	.	H	α-helix	trans	-79.5	-36	-178.2	-80	-175.3	175.6	-178.2	-0.3	113.4	L245	L245-R247 PolarHBondContact O-N 3.41Å
248	I	56.7	Low	54.4	Low	74 Å²	74	95.8 Å²	95.8	38%	0.379	51%	0.514	S	S	.	.	H	α-helix	trans	-79.1	-33.8	-173.7	-51.2	170.3	0	0	0	111.5	L183 V244 K250 P251	L183-I248 HydrophobicContact CD1-CG2 4.06Å; L183-I248 HydrophobicContact CD2-CG2 4.06Å; V244-I248 HydrophobicContact CG1-CD1 4.49Å; I248-K250 PolarHBondContact O-N 3.32Å; I248-P251 WeakPolarHBondContact O-CD 3.27Å
249	T	57.8	Low	56.5	Low	21 Å²	21	88.1 Å²	88.1	13%	0.129	48%	0.479	C	S	.	.	S	Bend	trans	-79.8	-14.6	-177	52.5	0	0	0	0	114.5	L183 L245 K253	L183-T249 HydrophobicContact CD2-CG2 4.16Å; L245-T249 PolarHBondContact O-OG1 3.05Å; T249-K253 WeakPolarHBondContact O-CG 3.49Å; T249-K253 PolarHBondContact O-N 3.04Å
250	K	63.4	Low	59	Low	134 Å²	134	88.2 Å²	88.2	58%	0.583	46%	0.463	S	S	*	.	H	α-helix	trans	-62.9	-50.3	-173.7	-175.2	-177.7	177.6	-173.9	0	113.5	I248 V252 K253 D254	I248-K250 PolarHBondContact O-N 3.32Å; K250-V252 VanDerWaalsContact C-N 3.32Å; K250-V252 PolarHBondContact O-N 3.46Å; K250-K253 PolarHBondContact O-N 3.35Å; K250-D254 VanDerWaalsContact O-CG 3.23Å; K250-D254 PolarHBondContact O-N 2.65Å
251	P	61.9	Low	61.4	Low	47 Å²	47	85.8 Å²	85.8	31%	0.305	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-37.5	-177.1	-20.9	33.5	0	0	0	113.3	I248 D254 Q255 E304	I248-P251 WeakPolarHBondContact O-CD 3.27Å; P251-D254 PolarHBondContact O-N 3.21Å; P251-Q255 PolarHBondContact O-N 3.35Å; P251-E304 HydrophobicContact CB-CG 4.04Å; P251-E304 HydrophobicContact CG-CG 4.43Å
252	V	60.9	Low	63.8	Low	7 Å²	7	79.3 Å²	79.3	4%	0.042	42%	0.42	C	S	.	.	H	α-helix	trans	-68.1	-43.1	-179.6	-174.9	0	0	0	0	111	V176 L180 K250 D254 Q255 L256 E304	V176-V252 HydrophobicContact CG1-CG1 3.58Å; L180-V252 HydrophobicContact CB-CG1 4.12Å; L180-V252 HydrophobicContact CD1-CB 4.37Å; L180-V252 HydrophobicContact CD1-CG1 3.82Å; K250-V252 VanDerWaalsContact C-N 3.32Å; K250-V252 PolarHBondContact O-N 3.46Å; V252-D254 VanDerWaalsContact C-N 3.34Å; V252-Q255 PolarHBondContact O-N 3.36Å; V252-L256 PolarHBondContact O-N 3.28Å; V252-L256 VanDerWaalsContact O-N 3.13Å; V252-E304 HydrophobicContact CG2-CB 4.11Å
253	K	67.8	Low	65.9	Low	111 Å²	111	78.5 Å²	78.5	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-39.4	174.6	-74.7	177.7	177.7	173.9	0	112	L180 T249 K250 L256 N257	L180-K253 HydrophobicContact CD1-CG 4.28Å; T249-K253 WeakPolarHBondContact O-CG 3.49Å; T249-K253 PolarHBondContact O-N 3.04Å; K250-K253 PolarHBondContact O-N 3.35Å; K253-L256 PolarHBondContact O-N 3.28Å; K253-N257 PolarHBondContact O-N 3.03Å; K253-N257 VanDerWaalsContact O-N 3.09Å; K253-N257 PolarHBondContact O-ND2 2.73Å
254	D	73.1	Confident	67.8	Low	74 Å²	74	76.7 Å²	76.7	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-40.2	177.5	-68.1	-18	0	0	0	111.3	K250 P251 V252 N257 I258	K250-D254 VanDerWaalsContact O-CG 3.23Å; K250-D254 PolarHBondContact O-N 2.65Å; P251-D254 PolarHBondContact O-N 3.21Å; V252-D254 VanDerWaalsContact C-N 3.34Å; D254-N257 PolarHBondContact O-N 3.29Å; D254-I258 WeakPolarHBondContact O-CG1 3.3Å; D254-I258 PolarHBondContact O-N 3.31Å; D254-I258 VanDerWaalsContact O-N 3.1Å
255	Q	75.3	Confident	69.4	Low	2 Å²	2	76 Å²	76	1%	0.009	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-40.9	175.3	-173.2	173.6	-1.7	0	0	112.2	V176 P251 V252 N257 I258 I259 L299 E301	V176-Q255 HydrophobicContact CG2-CG 4.11Å; P251-Q255 PolarHBondContact O-N 3.35Å; V252-Q255 PolarHBondContact O-N 3.36Å; Q255-N257 VanDerWaalsContact C-N 3.33Å; Q255-N257 PolarHBondContact O-N 3.35Å; Q255-I258 PolarHBondContact O-N 3.46Å; Q255-I259 HydrophobicContact CG-CD1 4.08Å; Q255-I259 WeakPolarHBondContact O-CG1 3.44Å; Q255-I259 PolarHBondContact O-N 2.92Å; Q255-I259 VanDerWaalsContact O-N 3.07Å; Q255-L299 PolarHBondContact NE2-O 3.2Å; Q255-E301 PolarHBondContact NE2-O 3.38Å
256	L	75.3	Confident	70.9	Confident	32 Å²	32	71.3 Å²	71.3	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.5	-173.2	64.7	0	0	0	111.7	A173 V176 V252 K253 I258 I259 Q260	A173-L256 HydrophobicContact CB-CD1 4.18Å; V176-L256 HydrophobicContact CG1-CB 4.24Å; V252-L256 PolarHBondContact O-N 3.28Å; V252-L256 VanDerWaalsContact O-N 3.13Å; K253-L256 PolarHBondContact O-N 3.28Å; L256-I258 PolarHBondContact O-N 3Å; L256-I259 PolarHBondContact O-N 3.46Å; L256-Q260 WeakPolarHBondContact O-CG 3.45Å; L256-Q260 PolarHBondContact O-N 3.49Å
257	N	78.3	Confident	72.1	Confident	82 Å²	82	71 Å²	71	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-41.6	177	-73.2	-24.9	0	0	0	112.1	K253 D254 Q255 Q260 L261	K253-N257 PolarHBondContact O-N 3.03Å; K253-N257 VanDerWaalsContact O-N 3.09Å; K253-N257 PolarHBondContact O-ND2 2.73Å; D254-N257 PolarHBondContact O-N 3.29Å; Q255-N257 VanDerWaalsContact C-N 3.33Å; Q255-N257 PolarHBondContact O-N 3.35Å; N257-Q260 PolarHBondContact O-N 3.32Å; N257-L261 WeakPolarHBondContact O-CG 3.48Å; N257-L261 PolarHBondContact O-N 3.47Å
258	I	80.7	Confident	73.1	Confident	75 Å²	75	67.1 Å²	67.1	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-45.9	176.6	-67.8	165	0	0	0	110.8	D254 Q255 L256 Q260 L261 E262	D254-I258 WeakPolarHBondContact O-CG1 3.3Å; D254-I258 PolarHBondContact O-N 3.31Å; D254-I258 VanDerWaalsContact O-N 3.1Å; Q255-I258 PolarHBondContact O-N 3.46Å; L256-I258 PolarHBondContact O-N 3Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.23Å; I258-L261 PolarHBondContact O-N 3.1Å; I258-E262 PolarHBondContact O-N 2.91Å
259	I	74.8	Confident	73.8	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-41.9	179.5	-67.2	164.3	0	0	0	111	L169 A172 A173 V176 Q255 L256 K263 L299	L169-I259 HydrophobicContact CB-CG2 4.25Å; L169-I259 HydrophobicContact CD2-CG2 4.2Å; L169-I259 WeakPolarHBondContact O-CG2 3.49Å; A172-I259 HydrophobicContact CB-CD1 3.94Å; A173-I259 HydrophobicContact CB-CG2 3.96Å; V176-I259 HydrophobicContact CG2-CD1 4.01Å; Q255-I259 HydrophobicContact CG-CD1 4.08Å; Q255-I259 WeakPolarHBondContact O-CG1 3.44Å; Q255-I259 PolarHBondContact O-N 2.92Å; Q255-I259 VanDerWaalsContact O-N 3.07Å; L256-I259 PolarHBondContact O-N 3.46Å; I259-K263 WeakPolarHBondContact O-CB 3.31Å; I259-K263 PolarHBondContact O-N 3.03Å; I259-K263 VanDerWaalsContact O-N 3.08Å; I259-L299 HydrophobicContact CG1-CB 4.37Å; I259-L299 HydrophobicContact CG1-CD1 4.15Å
260	Q	81.2	Confident	74.2	Confident	96 Å²	96	66 Å²	66	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-43.4	178.5	-73.5	-179	-0.9	0	0	112.4	L256 N257 I258 K263 M264	L256-Q260 WeakPolarHBondContact O-CG 3.45Å; L256-Q260 PolarHBondContact O-N 3.49Å; N257-Q260 PolarHBondContact O-N 3.32Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.23Å; Q260-K263 PolarHBondContact O-N 3.35Å; Q260-M264 WeakPolarHBondContact O-CG 3.39Å; Q260-M264 PolarHBondContact O-N 2.99Å
261	L	80.3	Confident	74.3	Confident	119 Å²	119	64.8 Å²	64.8	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-63.6	-43.6	178.3	-74.4	168.1	0	0	0	112	N257 I258 K263 M264 K265	N257-L261 WeakPolarHBondContact O-CG 3.48Å; N257-L261 PolarHBondContact O-N 3.47Å; I258-L261 PolarHBondContact O-N 3.1Å; L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 PolarHBondContact O-N 3.39Å; L261-M264 PolarHBondContact O-N 3.06Å; L261-K265 WeakPolarHBondContact O-CB 3.39Å; L261-K265 PolarHBondContact O-N 3.26Å
262	E	81	Confident	74.4	Confident	49 Å²	49	67.6 Å²	67.6	23%	0.229	33%	0.334	C	S	.	.	H	α-helix	trans	-69.1	-35.4	179.9	-164.4	58.4	-147.3	0	0	111.8	L169 I258 K265 I266 K292	L169-E262 HydrophobicContact CD1-CB 4.43Å; L169-E262 HydrophobicContact CD1-CG 4.43Å; I258-E262 PolarHBondContact O-N 2.91Å; E262-K265 WeakPolarHBondContact O-CB 3.47Å; E262-K265 PolarHBondContact O-N 2.71Å; E262-I266 HydrophobicContact CG-CD1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.33Å; E262-I266 PolarHBondContact O-N 2.99Å; E262-K292 WeakPolarHBondContact OE1-CD 3.47Å; E262-K292 WeakPolarHBondContact OE1-CE 3.49Å; E262-K292 IonicContact OE1-NZ 2.77Å; E262-K292 PolarHBondContact OE1-NZ 3.33Å
263	K	79.9	Confident	74.3	Confident	59 Å²	59	67.9 Å²	67.9	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-50.9	172.6	177.5	-179.8	171.1	178.1	0	111.5	L169 N170 I259 Q260 L261 K265 I266 E267	L169-K263 HydrophobicContact CD1-CB 4.1Å; N170-K263 PolarHBondContact OD1-NZ 3.32Å; I259-K263 WeakPolarHBondContact O-CB 3.31Å; I259-K263 PolarHBondContact O-N 3.03Å; I259-K263 VanDerWaalsContact O-N 3.08Å; Q260-K263 PolarHBondContact O-N 3.35Å; L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 PolarHBondContact O-N 3.39Å; K263-K265 PolarHBondContact O-N 3.29Å; K263-I266 PolarHBondContact O-N 3.18Å; K263-E267 WeakPolarHBondContact CE-OE1 3.18Å; K263-E267 HydrophobicContact CG-CG 4.44Å; K263-E267 IonicContact NZ-OE1 2.77Å; K263-E267 WeakPolarHBondContact O-CG 3.21Å; K263-E267 PolarHBondContact O-N 3.44Å
264	M	78.2	Confident	73.8	Confident	113 Å²	113	70.1 Å²	70.1	56%	0.557	35%	0.347	S	S	*	.	H	α-helix	trans	-58	-40	178.4	-74.5	-178.7	174.9	0	0	111.5	Q260 L261 E267 M268	Q260-M264 WeakPolarHBondContact O-CG 3.39Å; Q260-M264 PolarHBondContact O-N 2.99Å; L261-M264 PolarHBondContact O-N 3.06Å; M264-E267 PolarHBondContact O-N 3.2Å; M264-M268 WeakPolarHBondContact O-CG 3.34Å; M264-M268 PolarHBondContact O-N 3.36Å
265	K	80.9	Confident	73.1	Confident	103 Å²	103	74.4 Å²	74.4	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-45.2	177.3	-171.3	179.9	178.7	-173.4	0	112.2	L261 E262 K263 M268 E269	L261-K265 WeakPolarHBondContact O-CB 3.39Å; L261-K265 PolarHBondContact O-N 3.26Å; E262-K265 WeakPolarHBondContact O-CB 3.47Å; E262-K265 PolarHBondContact O-N 2.71Å; K263-K265 PolarHBondContact O-N 3.29Å; K265-M268 PolarHBondContact O-N 3.22Å; K265-E269 WeakPolarHBondContact CE-OE1 3.38Å; K265-E269 VanDerWaalsContact O-CB 3.31Å; K265-E269 WeakPolarHBondContact O-CB 3.4Å; K265-E269 VanDerWaalsContact O-CG 3.3Å; K265-E269 WeakPolarHBondContact O-CG 3.29Å; K265-E269 PolarHBondContact O-N 2.97Å
266	I	76.3	Confident	72.4	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-39.7	177.6	-67.1	165.9	0	0	0	111.2	A162 C165 I166 L169 E262 K263 E269 C270 L289 K292	A162-I266 HydrophobicContact CB-CG2 4.46Å; C165-I266 HydrophobicContact CB-CD1 3.9Å; I166-I266 HydrophobicContact CD1-CG2 4.36Å; I166-I266 HydrophobicContact CG1-CG2 4.05Å; L169-I266 HydrophobicContact CD1-CD1 3.68Å; E262-I266 HydrophobicContact CG-CD1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.33Å; E262-I266 PolarHBondContact O-N 2.99Å; K263-I266 PolarHBondContact O-N 3.18Å; I266-E269 PolarHBondContact O-N 3.02Å; I266-C270 PolarHBondContact O-N 3.33Å; I266-C270 PolarHBondContact O-SG 3.47Å; I266-L289 HydrophobicContact CG2-CD2 4.43Å; I266-K292 HydrophobicContact CD1-CD 4.25Å; I266-K292 HydrophobicContact CG1-CD 4.04Å
267	E	76.4	Confident	71.7	Confident	76 Å²	76	81 Å²	81	36%	0.355	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-42.6	177.6	-73.8	174.7	167.9	0	0	111.9	I166 K263 M264 C270 I271	I166-E267 HydrophobicContact CD1-CG 3.97Å; K263-E267 WeakPolarHBondContact CE-OE1 3.18Å; K263-E267 HydrophobicContact CG-CG 4.44Å; K263-E267 IonicContact NZ-OE1 2.77Å; K263-E267 WeakPolarHBondContact O-CG 3.21Å; K263-E267 PolarHBondContact O-N 3.44Å; M264-E267 PolarHBondContact O-N 3.2Å; E267-C270 WeakPolarHBondContact O-CB 3.18Å; E267-C270 PolarHBondContact O-N 3.16Å; E267-I271 PolarHBondContact O-N 3.42Å
268	M	75.2	Confident	71.2	Confident	131 Å²	131	80.8 Å²	80.8	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-64.3	-48.1	174.1	-74.6	-177.8	65.9	0	0	112	M264 K265 C270 I271 D272	M264-M268 WeakPolarHBondContact O-CG 3.34Å; M264-M268 PolarHBondContact O-N 3.36Å; K265-M268 PolarHBondContact O-N 3.22Å; M268-C270 VanDerWaalsContact C-N 3.26Å; M268-C270 PolarHBondContact O-N 3.13Å; M268-I271 PolarHBondContact O-N 2.9Å; M268-I271 VanDerWaalsContact O-N 3.09Å; M268-D272 PolarHBondContact O-N 3.46Å
269	E	71.4	Confident	70.5	Confident	49 Å²	49	77.3 Å²	77.3	23%	0.229	38%	0.376	C	S	.	.	H	α-helix	trans	-55	-42.5	177	-82.6	175.9	-160.8	0	0	110.9	K265 I266 I271 D272 F273 K292	K265-E269 WeakPolarHBondContact CE-OE1 3.38Å; K265-E269 VanDerWaalsContact O-CB 3.31Å; K265-E269 WeakPolarHBondContact O-CB 3.4Å; K265-E269 VanDerWaalsContact O-CG 3.3Å; K265-E269 WeakPolarHBondContact O-CG 3.29Å; K265-E269 PolarHBondContact O-N 2.97Å; I266-E269 PolarHBondContact O-N 3.02Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.83Å; E269-D272 PolarHBondContact O-N 2.98Å; E269-F273 VanDerWaalsContact C-CE2 3.45Å; E269-F273 HydrophobicContact CB-CD2 4.36Å; E269-F273 HydrophobicContact CB-CE1 4.48Å; E269-F273 HydrophobicContact CB-CE2 3.52Å; E269-F273 HydrophobicContact CB-CZ 3.59Å; E269-F273 HydrophobicContact CG-CE2 4.43Å; E269-F273 HydrophobicContact CG-CZ 4.04Å; E269-F273 WeakPolarHBondContact O-CD1 3.36Å; E269-F273 WeakPolarHBondContact O-CD2 3.4Å; E269-F273 VanDerWaalsContact O-CE2 3.29Å; E269-F273 WeakPolarHBondContact O-CE2 3.38Å; E269-F273 WeakPolarHBondContact O-CG 3.46Å; E269-F273 PolarHBondContact O-N 3.06Å; E269-F273 VanDerWaalsContact O-N 3.1Å; E269-K292 IonicContact OE1-NZ 3.87Å; E269-K292 PolarHBondContact OE1-NZ 3.45Å; E269-K292 IonicContact OE2-NZ 3.95Å; E269-K292 PolarHBondContact OE2-NZ 3.26Å
270	C	66	Low	70.3	Confident	24 Å²	24	84.4 Å²	84.4	16%	0.162	40%	0.402	C	S	.	.	H	α-helix	trans	-58.2	-36.5	176.8	-74.4	0	0	0	0	114.7	A162 I266 E267 M268 Q274	A162-C270 WeakPolarHBondContact CB-SG 3.46Å; I266-C270 PolarHBondContact O-N 3.33Å; I266-C270 PolarHBondContact O-SG 3.47Å; E267-C270 WeakPolarHBondContact O-CB 3.18Å; E267-C270 PolarHBondContact O-N 3.16Å; M268-C270 VanDerWaalsContact C-N 3.26Å; M268-C270 PolarHBondContact O-N 3.13Å; C270-Q274 PolarHBondContact O-N 3.11Å
271	I	64.7	Low	69.8	Low	107 Å²	107	81.1 Å²	81.1	55%	0.549	39%	0.389	S	S	.	.	H	α-helix	trans	-70.3	-43.5	-179.1	-65.5	168.6	0	0	0	110.1	E267 M268 E269 F273	E267-I271 PolarHBondContact O-N 3.42Å; M268-I271 PolarHBondContact O-N 2.9Å; M268-I271 VanDerWaalsContact O-N 3.09Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.83Å; I271-F273 VanDerWaalsContact C-N 3.25Å; I271-F273 PolarHBondContact O-N 3.42Å
272	D	64	Low	69.3	Low	106 Å²	106	75.5 Å²	75.5	57%	0.567	36%	0.359	S	S	*	.	H	α-helix	trans	-64.6	-33.8	178.2	-72.9	-23	0	0	0	111.3	M268 E269 K275	M268-D272 PolarHBondContact O-N 3.46Å; E269-D272 PolarHBondContact O-N 2.98Å; D272-K275 PolarHBondContact O-N 3.4Å
273	F	59	Low	69	Low	14 Å²	14	76 Å²	76	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-73.1	-28.2	-177.5	-58.3	-31.7	0	0	0	115.6	M158 E269 I271 K275 E276 Y285	M158-F273 HydrophobicContact CE-CB 3.6Å; M158-F273 HydrophobicContact CE-CD1 3.83Å; M158-F273 HydrophobicContact CE-CD2 3.02Å; M158-F273 HydrophobicContact CE-CE1 4.27Å; M158-F273 HydrophobicContact CE-CE2 3.49Å; M158-F273 VanDerWaalsContact CE-CE2 3.49Å; M158-F273 HydrophobicContact CE-CG 3.2Å; M158-F273 HydrophobicContact CE-CZ 4.1Å; M158-F273 HydrophobicContact SD-CB 3.54Å; M158-F273 VanDerWaalsContact SD-CB 3.54Å; M158-F273 HydrophobicContact SD-CD2 3.8Å; M158-F273 HydrophobicContact SD-CG 3.85Å; E269-F273 VanDerWaalsContact C-CE2 3.45Å; E269-F273 HydrophobicContact CB-CD2 4.36Å; E269-F273 HydrophobicContact CB-CE1 4.48Å; E269-F273 HydrophobicContact CB-CE2 3.52Å; E269-F273 HydrophobicContact CB-CZ 3.59Å; E269-F273 HydrophobicContact CG-CE2 4.43Å; E269-F273 HydrophobicContact CG-CZ 4.04Å; E269-F273 WeakPolarHBondContact O-CD1 3.36Å; E269-F273 WeakPolarHBondContact O-CD2 3.4Å; E269-F273 VanDerWaalsContact O-CE2 3.29Å; E269-F273 WeakPolarHBondContact O-CE2 3.38Å; E269-F273 WeakPolarHBondContact O-CG 3.46Å; E269-F273 PolarHBondContact O-N 3.06Å; E269-F273 VanDerWaalsContact O-N 3.1Å; I271-F273 VanDerWaalsContact C-N 3.25Å; I271-F273 PolarHBondContact O-N 3.42Å; F273-K275 PolarHBondContact O-N 3.15Å; F273-E276 PolarHBondContact O-N 3.32Å; F273-Y285 AromaticContact CD1-CD2 3.68Å; F273-Y285 HydrophobicContact CD1-CD2 3.68Å; F273-Y285 HydrophobicContact CD1-CE1 4.42Å; F273-Y285 AromaticContact CD1-CE2 3.5Å; F273-Y285 HydrophobicContact CD1-CE2 3.5Å; F273-Y285 VanDerWaalsContact CD1-CE2 3.5Å; F273-Y285 HydrophobicContact CD1-CG 4.21Å; F273-Y285 AromaticContact CD1-CZ 3.96Å; F273-Y285 AromaticContact CE1-CD1 3.54Å; F273-Y285 HydrophobicContact CE1-CD1 3.54Å; F273-Y285 AromaticContact CE1-CD2 3.49Å; F273-Y285 HydrophobicContact CE1-CD2 3.49Å; F273-Y285 VanDerWaalsContact CE1-CD2 3.49Å; F273-Y285 AromaticContact CE1-CE1 3.36Å; F273-Y285 HydrophobicContact CE1-CE1 3.36Å; F273-Y285 AromaticContact CE1-CE2 3.24Å; F273-Y285 HydrophobicContact CE1-CE2 3.24Å; F273-Y285 AromaticContact CE1-CG 3.65Å; F273-Y285 HydrophobicContact CE1-CG 3.65Å; F273-Y285 AromaticContact CE1-CZ 3.23Å; F273-Y285 HydrophobicContact CE2-CD1 4.41Å; F273-Y285 HydrophobicContact CE2-CG 4.37Å; F273-Y285 HydrophobicContact CG-CD2 4.45Å; F273-Y285 AromaticContact CZ-CD1 3.45Å; F273-Y285 HydrophobicContact CZ-CD1 3.45Å; F273-Y285 VanDerWaalsContact CZ-CD1 3.45Å; F273-Y285 HydrophobicContact CZ-CD2 4.04Å; F273-Y285 AromaticContact CZ-CE1 3.65Å; F273-Y285 HydrophobicContact CZ-CE1 3.65Å; F273-Y285 HydrophobicContact CZ-CE2 4.15Å; F273-Y285 AromaticContact CZ-CG 3.71Å; F273-Y285 HydrophobicContact CZ-CG 3.71Å
274	Q	57.3	Low	68.9	Low	157 Å²	157	80.5 Å²	80.5	73%	0.734	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.5	176.1	-74.7	-175.9	-4.5	0	0	113	C270	C270-Q274 PolarHBondContact O-N 3.11Å
275	K	58.2	Low	68.7	Low	164 Å²	164	77.7 Å²	77.7	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.6	178.5	-59	175.4	-176.1	169.3	0	114	D272 F273	D272-K275 PolarHBondContact O-N 3.4Å; F273-K275 PolarHBondContact O-N 3.15Å
276	E	62.1	Low	68.5	Low	65 Å²	65	73.8 Å²	73.8	30%	0.304	35%	0.349	S	S	.	.			trans	-86	124	-173.2	-174.7	63	-122.7	0	0	112.1	F273 N278 T281 L282	F273-E276 PolarHBondContact O-N 3.32Å; E276-N278 WeakPolarHBondContact OE1-CB 3.43Å; E276-N278 PolarHBondContact OE1-N 2.84Å; E276-T281 HydrophobicContact CG-CG2 3.73Å; E276-L282 HydrophobicContact CB-CD2 4.45Å
277	L	59.7	Low	68.7	Low	109 Å²	109	75.1 Å²	75.1	57%	0.571	36%	0.363	S	S	*	.			trans	-102.9	-0.4	179.8	-67.3	170.5	0	0	0	113.2	I151	I151-L277 WeakPolarHBondContact CD1-O 3.48Å
278	N	67.5	Low	68.9	Low	76 Å²	76	73.1 Å²	73.1	41%	0.406	36%	0.359	S	S	.	.			trans	-92.3	113.7	-179.1	-168.8	-30.5	0	0	0	112.2	E276 R280 T281 L282	E276-N278 WeakPolarHBondContact OE1-CB 3.43Å; E276-N278 PolarHBondContact OE1-N 2.84Å; N278-R280 PolarHBondContact O-N 3.3Å; N278-R280 PolarHBondContact OD1-N 3.46Å; N278-T281 WeakPolarHBondContact O-CB 3.44Å; N278-T281 PolarHBondContact O-N 2.88Å; N278-T281 VanDerWaalsContact O-N 3.15Å; N278-L282 PolarHBondContact O-N 2.93Å
279	V	67	Low	69.1	Low	2 Å²	2	67 Å²	67	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-53.3	-45.7	176.8	161.7	0	0	0	0	112.8	F121 F147 I151 M154 T281 L282 T283	F121-V279 HydrophobicContact CD2-CG1 3.88Å; F121-V279 HydrophobicContact CE1-CG1 4.3Å; F121-V279 HydrophobicContact CE2-CG1 3.44Å; F121-V279 VanDerWaalsContact CE2-CG1 3.44Å; F121-V279 HydrophobicContact CG-CG1 4.46Å; F121-V279 HydrophobicContact CZ-CG1 3.68Å; F147-V279 HydrophobicContact CD2-CG2 3.9Å; F147-V279 HydrophobicContact CE2-CB 3.99Å; F147-V279 HydrophobicContact CE2-CG2 3.26Å; F147-V279 HydrophobicContact CZ-CG2 4.04Å; I151-V279 HydrophobicContact CG1-CG2 3.8Å; M154-V279 HydrophobicContact CE-CB 4.24Å; M154-V279 HydrophobicContact CE-CG1 3.69Å; M154-V279 WeakPolarHBondContact CE-O 3.43Å; M154-V279 HydrophobicContact SD-CB 4.14Å; M154-V279 HydrophobicContact SD-CG1 3.64Å; M154-V279 HydrophobicContact SD-CG2 3.89Å; V279-T281 VanDerWaalsContact C-N 3.28Å; V279-T281 PolarHBondContact O-N 3.12Å; V279-L282 WeakPolarHBondContact O-CB 3.48Å; V279-L282 PolarHBondContact O-N 3.27Å; V279-T283 PolarHBondContact O-N 3.39Å; V279-T283 PolarHBondContact O-OG1 2.97Å; V279-T283 VanDerWaalsContact O-OG1 3.13Å
280	R	70	Confident	69.6	Low	152 Å²	152	67.7 Å²	67.7	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-39	179.8	-72.8	-175.2	-179.9	148.7	3	112.1	D126 N278 T283 R284	D126-R280 PolarHBondContact O-NH2 3.37Å; N278-R280 PolarHBondContact O-N 3.3Å; N278-R280 PolarHBondContact OD1-N 3.46Å; R280-T283 PolarHBondContact O-N 2.93Å; R280-R284 PolarHBondContact O-N 2.95Å
281	T	70.9	Confident	70.3	Confident	28 Å²	28	73.3 Å²	73.3	17%	0.172	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-45.7	176.8	-57.2	0	0	0	0	110.4	E276 N278 V279 R284 Y285	E276-T281 HydrophobicContact CG-CG2 3.73Å; N278-T281 WeakPolarHBondContact O-CB 3.44Å; N278-T281 PolarHBondContact O-N 2.88Å; N278-T281 VanDerWaalsContact O-N 3.15Å; V279-T281 VanDerWaalsContact C-N 3.28Å; V279-T281 PolarHBondContact O-N 3.12Å; T281-R284 PolarHBondContact O-N 3.41Å; T281-Y285 HydrophobicContact CG2-CD2 3.76Å; T281-Y285 HydrophobicContact CG2-CE2 3.18Å; T281-Y285 WeakPolarHBondContact O-CD2 3.39Å; T281-Y285 PolarHBondContact O-N 2.97Å
282	L	70.3	Confident	71	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-43.8	174.4	-69.5	173.6	0	0	0	112.5	M154 M158 E276 N278 V279 R284 Y285 I286	M154-L282 HydrophobicContact CB-CB 4.34Å; M154-L282 HydrophobicContact CB-CD1 4.05Å; M154-L282 HydrophobicContact CE-CB 3.82Å; M158-L282 HydrophobicContact CE-CD2 4.17Å; M158-L282 HydrophobicContact SD-CD2 3.72Å; E276-L282 HydrophobicContact CB-CD2 4.45Å; N278-L282 PolarHBondContact O-N 2.93Å; V279-L282 WeakPolarHBondContact O-CB 3.48Å; V279-L282 PolarHBondContact O-N 3.27Å; L282-R284 PolarHBondContact O-N 2.9Å; L282-Y285 PolarHBondContact O-N 2.97Å; L282-I286 WeakPolarHBondContact O-CB 3.41Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.2Å
283	T	74.4	Confident	71.8	Confident	61 Å²	61	65.9 Å²	65.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-47	176.1	-57.5	0	0	0	0	111.5	M154 V279 R280 Y285 I286 G287	M154-T283 WeakPolarHBondContact CE-OG1 3.3Å; V279-T283 PolarHBondContact O-N 3.39Å; V279-T283 PolarHBondContact O-OG1 2.97Å; V279-T283 VanDerWaalsContact O-OG1 3.13Å; R280-T283 PolarHBondContact O-N 2.93Å; T283-Y285 VanDerWaalsContact C-N 3.31Å; T283-Y285 PolarHBondContact O-N 3.12Å; T283-I286 PolarHBondContact O-N 3.49Å; T283-G287 PolarHBondContact O-N 3.43Å
284	R	76.5	Confident	72.6	Confident	152 Å²	152	70.3 Å²	70.3	57%	0.574	34%	0.342	S	S	*	.	H	α-helix	trans	-59.7	-41.7	177.2	-174.5	-178.2	64	90.3	2.7	111.6	R280 T281 L282 G287 A288	R280-R284 PolarHBondContact O-N 2.95Å; T281-R284 PolarHBondContact O-N 3.41Å; L282-R284 PolarHBondContact O-N 2.9Å; R284-G287 PolarHBondContact O-N 3.49Å; R284-A288 PolarHBondContact O-N 3.5Å
285	Y	75	Confident	73.5	Confident	54 Å²	54	66 Å²	66	21%	0.212	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-38.8	177.5	-71.3	-49.4	0	0	0	113.3	M158 F273 T281 L282 T283 G287 A288 L289	M158-Y285 HydrophobicContact CE-CD2 3.81Å; M158-Y285 HydrophobicContact CE-CG 3.82Å; F273-Y285 AromaticContact CD1-CD2 3.68Å; F273-Y285 HydrophobicContact CD1-CD2 3.68Å; F273-Y285 HydrophobicContact CD1-CE1 4.42Å; F273-Y285 AromaticContact CD1-CE2 3.5Å; F273-Y285 HydrophobicContact CD1-CE2 3.5Å; F273-Y285 VanDerWaalsContact CD1-CE2 3.5Å; F273-Y285 HydrophobicContact CD1-CG 4.21Å; F273-Y285 AromaticContact CD1-CZ 3.96Å; F273-Y285 AromaticContact CE1-CD1 3.54Å; F273-Y285 HydrophobicContact CE1-CD1 3.54Å; F273-Y285 AromaticContact CE1-CD2 3.49Å; F273-Y285 HydrophobicContact CE1-CD2 3.49Å; F273-Y285 VanDerWaalsContact CE1-CD2 3.49Å; F273-Y285 AromaticContact CE1-CE1 3.36Å; F273-Y285 HydrophobicContact CE1-CE1 3.36Å; F273-Y285 AromaticContact CE1-CE2 3.24Å; F273-Y285 HydrophobicContact CE1-CE2 3.24Å; F273-Y285 AromaticContact CE1-CG 3.65Å; F273-Y285 HydrophobicContact CE1-CG 3.65Å; F273-Y285 AromaticContact CE1-CZ 3.23Å; F273-Y285 HydrophobicContact CE2-CD1 4.41Å; F273-Y285 HydrophobicContact CE2-CG 4.37Å; F273-Y285 HydrophobicContact CG-CD2 4.45Å; F273-Y285 AromaticContact CZ-CD1 3.45Å; F273-Y285 HydrophobicContact CZ-CD1 3.45Å; F273-Y285 VanDerWaalsContact CZ-CD1 3.45Å; F273-Y285 HydrophobicContact CZ-CD2 4.04Å; F273-Y285 AromaticContact CZ-CE1 3.65Å; F273-Y285 HydrophobicContact CZ-CE1 3.65Å; F273-Y285 HydrophobicContact CZ-CE2 4.15Å; F273-Y285 AromaticContact CZ-CG 3.71Å; F273-Y285 HydrophobicContact CZ-CG 3.71Å; T281-Y285 HydrophobicContact CG2-CD2 3.76Å; T281-Y285 HydrophobicContact CG2-CE2 3.18Å; T281-Y285 WeakPolarHBondContact O-CD2 3.39Å; T281-Y285 PolarHBondContact O-N 2.97Å; L282-Y285 PolarHBondContact O-N 2.97Å; T283-Y285 VanDerWaalsContact C-N 3.31Å; T283-Y285 PolarHBondContact O-N 3.12Å; Y285-G287 PolarHBondContact O-N 3.28Å; Y285-A288 PolarHBondContact O-N 3.31Å; Y285-L289 WeakPolarHBondContact O-CB 3.36Å; Y285-L289 WeakPolarHBondContact O-CG 3.47Å; Y285-L289 PolarHBondContact O-N 3.17Å
286	I	77.1	Confident	74.3	Confident	22 Å²	22	58.3 Å²	58.3	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-38.6	171.9	-73.6	169.8	0	0	0	110.4	M154 I157 M158 K161 L282 T283 N290	M154-I286 HydrophobicContact CB-CD1 4.44Å; I157-I286 HydrophobicContact CB-CD1 4.39Å; I157-I286 HydrophobicContact CG2-CD1 4.01Å; M158-I286 HydrophobicContact CB-CD1 4.4Å; M158-I286 HydrophobicContact CB-CG1 4.03Å; K161-I286 HydrophobicContact CD-CG2 3.9Å; L282-I286 WeakPolarHBondContact O-CB 3.41Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.2Å; T283-I286 PolarHBondContact O-N 3.49Å; I286-N290 PolarHBondContact O-N 3.1Å; I286-N290 VanDerWaalsContact O-N 3.14Å
287	G	79.5	Confident	74.8	Confident	28 Å²	28	60 Å²	60	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-51.4	171.3	0	0	0	0	0	112.4	T283 R284 Y285 L289 N290 E291	T283-G287 PolarHBondContact O-N 3.43Å; R284-G287 PolarHBondContact O-N 3.49Å; Y285-G287 PolarHBondContact O-N 3.28Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.84Å; G287-N290 WeakPolarHBondContact O-CB 3.25Å; G287-N290 PolarHBondContact O-N 3.43Å; G287-E291 PolarHBondContact O-N 2.95Å
288	A	81.7	Confident	75.5	Confident	34 Å²	34	59 Å²	59	28%	0.281	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-37	178.5	0	0	0	0	0	113	R284 Y285 N290 E291 K292	R284-A288 PolarHBondContact O-N 3.5Å; Y285-A288 PolarHBondContact O-N 3.31Å; A288-N290 VanDerWaalsContact C-N 3.34Å; A288-E291 PolarHBondContact O-N 3.46Å; A288-K292 WeakPolarHBondContact O-CB 3.23Å; A288-K292 WeakPolarHBondContact O-CG 3.4Å; A288-K292 PolarHBondContact O-N 3.26Å
289	L	78.8	Confident	75.7	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-34.6	174.3	-75.8	172.2	0	0	0	112.3	M158 K161 A162 I266 Y285 G287 L293	M158-L289 HydrophobicContact CG-CD1 4Å; K161-L289 HydrophobicContact CB-CB 4.39Å; K161-L289 HydrophobicContact CB-CD1 4.24Å; A162-L289 HydrophobicContact CB-CD1 4.2Å; A162-L289 HydrophobicContact CB-CD2 4.42Å; I266-L289 HydrophobicContact CG2-CD2 4.43Å; Y285-L289 WeakPolarHBondContact O-CB 3.36Å; Y285-L289 WeakPolarHBondContact O-CG 3.47Å; Y285-L289 PolarHBondContact O-N 3.17Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.84Å; L289-L293 WeakPolarHBondContact O-CB 3.36Å; L289-L293 PolarHBondContact O-N 3.22Å
290	N	81.1	Confident	76	Confident	63 Å²	63	58.1 Å²	58.1	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-47.4	172.5	-80.4	-14.8	0	0	0	111.2	K161 I286 G287 A288 K292 L293 D294	K161-N290 WeakPolarHBondContact CD-OD1 3.38Å; K161-N290 WeakPolarHBondContact CE-OD1 3.37Å; K161-N290 PolarHBondContact NZ-ND2 3.04Å; K161-N290 PolarHBondContact NZ-OD1 2.81Å; I286-N290 PolarHBondContact O-N 3.1Å; I286-N290 VanDerWaalsContact O-N 3.14Å; G287-N290 WeakPolarHBondContact O-CB 3.25Å; G287-N290 PolarHBondContact O-N 3.43Å; A288-N290 VanDerWaalsContact C-N 3.34Å; N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.93Å; N290-L293 WeakPolarHBondContact O-CB 3.22Å; N290-L293 PolarHBondContact O-N 2.95Å; N290-L293 VanDerWaalsContact O-N 3.08Å; N290-D294 PolarHBondContact O-N 3.34Å
291	E	82.4	Confident	76.1	Confident	142 Å²	142	58.4 Å²	58.4	66%	0.664	31%	0.312	S	S	*	.	H	α-helix	trans	-60.9	-39	177.2	-67.3	175.4	-173.3	0	0	111.8	G287 A288 D294 S295	G287-E291 PolarHBondContact O-N 2.95Å; A288-E291 PolarHBondContact O-N 3.46Å; E291-D294 PolarHBondContact O-N 2.99Å; E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.35Å; E291-S295 PolarHBondContact O-OG 3.49Å
292	K	79.3	Confident	76.1	Confident	28 Å²	28	58.8 Å²	58.8	12%	0.122	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-39.5	172.3	-77.5	-173.9	-179.7	-174.3	0	112.5	E262 I266 E269 A288 N290 S295 S296	E262-K292 WeakPolarHBondContact OE1-CD 3.47Å; E262-K292 WeakPolarHBondContact OE1-CE 3.49Å; E262-K292 IonicContact OE1-NZ 2.77Å; E262-K292 PolarHBondContact OE1-NZ 3.33Å; I266-K292 HydrophobicContact CD1-CD 4.25Å; I266-K292 HydrophobicContact CG1-CD 4.04Å; E269-K292 IonicContact OE1-NZ 3.87Å; E269-K292 PolarHBondContact OE1-NZ 3.45Å; E269-K292 IonicContact OE2-NZ 3.95Å; E269-K292 PolarHBondContact OE2-NZ 3.26Å; A288-K292 WeakPolarHBondContact O-CB 3.23Å; A288-K292 WeakPolarHBondContact O-CG 3.4Å; A288-K292 PolarHBondContact O-N 3.26Å; N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.93Å; K292-S295 VanDerWaalsContact CA-OG 3.3Å; K292-S295 WeakPolarHBondContact CA-OG 3.48Å; K292-S295 PolarHBondContact O-OG 3.31Å; K292-S295 VanDerWaalsContact O-OG 3.07Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.78Å; K292-S296 PolarHBondContact O-OG 3Å
293	L	79.3	Confident	76.1	Confident	30 Å²	30	66.4 Å²	66.4	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-47.6	176.4	-172.7	67.6	0	0	0	110.2	Q164 L289 N290 S296 L297	Q164-L293 HydrophobicContact CB-CD1 4.43Å; L289-L293 WeakPolarHBondContact O-CB 3.36Å; L289-L293 PolarHBondContact O-N 3.22Å; N290-L293 WeakPolarHBondContact O-CB 3.22Å; N290-L293 PolarHBondContact O-N 2.95Å; N290-L293 VanDerWaalsContact O-N 3.08Å; L293-S296 PolarHBondContact O-N 2.76Å; L293-L297 WeakPolarHBondContact O-CG 3.22Å; L293-L297 PolarHBondContact O-N 3.49Å
294	D	77.2	Confident	75.8	Confident	106 Å²	106	68.3 Å²	68.3	57%	0.567	35%	0.348	S	S	*	.	H	α-helix	trans	-62.4	-43.8	179.3	-69.3	-24.7	0	0	0	111.6	N290 E291 L297	N290-D294 PolarHBondContact O-N 3.34Å; E291-D294 PolarHBondContact O-N 2.99Å; D294-L297 WeakPolarHBondContact O-CB 3.46Å; D294-L297 PolarHBondContact O-N 2.96Å
295	S	75.8	Confident	75.7	Confident	66 Å²	66	66.2 Å²	66.2	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-68.9	-33.1	175.2	52.6	0	0	0	0	113.1	E291 K292 L297 S298	E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.35Å; E291-S295 PolarHBondContact O-OG 3.49Å; K292-S295 VanDerWaalsContact CA-OG 3.3Å; K292-S295 WeakPolarHBondContact CA-OG 3.48Å; K292-S295 PolarHBondContact O-OG 3.31Å; K292-S295 VanDerWaalsContact O-OG 3.07Å; S295-L297 PolarHBondContact O-N 3.33Å; S295-S298 WeakPolarHBondContact O-CB 3.29Å; S295-S298 PolarHBondContact O-N 3.01Å; S295-S298 PolarHBondContact O-OG 3.34Å
296	S	74.8	Confident	75.8	Confident	3 Å²	3	65 Å²	65	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-23.2	176.3	-63.4	0	0	0	0	113.2	K292 L293 S298 L299	K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.78Å; K292-S296 PolarHBondContact O-OG 3Å; L293-S296 PolarHBondContact O-N 2.76Å; S296-S298 PolarHBondContact O-N 3.34Å; S296-L299 WeakPolarHBondContact O-CB 3.39Å; S296-L299 PolarHBondContact O-N 3.5Å
297	L	73.5	Confident	75.6	Confident	100 Å²	100	71.3 Å²	71.3	52%	0.524	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-33.2	174.1	-66.7	171.3	0	0	0	111.5	L293 D294 S295 L299 M300	L293-L297 WeakPolarHBondContact O-CG 3.22Å; L293-L297 PolarHBondContact O-N 3.49Å; D294-L297 WeakPolarHBondContact O-CB 3.46Å; D294-L297 PolarHBondContact O-N 2.96Å; S295-L297 PolarHBondContact O-N 3.33Å; L297-L299 PolarHBondContact O-N 2.86Å; L297-M300 VanDerWaalsContact O-CB 3.27Å; L297-M300 WeakPolarHBondContact O-CB 3.38Å; L297-M300 WeakPolarHBondContact O-CG 3.49Å; L297-M300 PolarHBondContact O-N 2.93Å
298	S	72.9	Confident	75.5	Confident	90 Å²	90	71.8 Å²	71.8	63%	0.629	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.9	175.8	73.4	0	0	0	0	113.8	S295 S296	S295-S298 WeakPolarHBondContact O-CB 3.29Å; S295-S298 PolarHBondContact O-N 3.01Å; S295-S298 PolarHBondContact O-OG 3.34Å; S296-S298 PolarHBondContact O-N 3.34Å
299	L	72.8	Confident	75.4	Confident	17 Å²	17	73.9 Å²	73.9	9%	0.089	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6	177.3	-61.1	173.9	0	0	0	112.5	L169 A172 Q255 I259 S296 L297 E301	L169-L299 HydrophobicContact CD2-CD1 4.25Å; A172-L299 HydrophobicContact CB-CB 4.45Å; A172-L299 VanDerWaalsContact CB-O 3.31Å; A172-L299 WeakPolarHBondContact CB-O 3.41Å; Q255-L299 PolarHBondContact NE2-O 3.2Å; I259-L299 HydrophobicContact CG1-CB 4.37Å; I259-L299 HydrophobicContact CG1-CD1 4.15Å; S296-L299 WeakPolarHBondContact O-CB 3.39Å; S296-L299 PolarHBondContact O-N 3.5Å; L297-L299 PolarHBondContact O-N 2.86Å; L299-E301 VanDerWaalsContact C-N 3.27Å; L299-E301 PolarHBondContact O-N 3.22Å
300	M	73.1	Confident	75.4	Confident	42 Å²	42	76.9 Å²	76.9	21%	0.207	40%	0.396	C	S	.	.	S	Bend	trans	-64.7	-34.1	-176.9	-77.2	-97.3	61.4	0	0	112.9	T168 K171 A172 N175 L297	T168-M300 HydrophobicContact CG2-CG 4.22Å; T168-M300 HydrophobicContact CG2-SD 4Å; K171-M300 HydrophobicContact CB-CE 3.59Å; A172-M300 HydrophobicContact CB-CE 3.82Å; N175-M300 PolarHBondContact ND2-O 3.34Å; L297-M300 VanDerWaalsContact O-CB 3.27Å; L297-M300 WeakPolarHBondContact O-CB 3.38Å; L297-M300 WeakPolarHBondContact O-CG 3.49Å; L297-M300 PolarHBondContact O-N 2.93Å
301	E	71.9	Confident	74.9	Confident	158 Å²	158	81.1 Å²	81.1	74%	0.738	41%	0.414	S	S	*	.	S	Bend	trans	-96.8	132.3	176	-65.9	-165.2	163.1	0	0	110.4	Q255 L299 R303	Q255-E301 PolarHBondContact NE2-O 3.38Å; L299-E301 VanDerWaalsContact C-N 3.27Å; L299-E301 PolarHBondContact O-N 3.22Å; E301-R303 PolarHBondContact O-N 2.65Å
302	P	70.7	Confident	74.2	Confident	35 Å²	35	79 Å²	79	23%	0.227	40%	0.4	C	S	.	.			trans	-56.6	135.6	168.2	-25.9	38.3	0	0	0	110.3	N175 V176 E179 E304	N175-P302 HydrophobicContact CB-CG 4.22Å; V176-P302 HydrophobicContact CG2-CG 4.36Å; E179-P302 HydrophobicContact CB-CB 4.36Å; E179-P302 HydrophobicContact CB-CG 4.32Å; E179-P302 HydrophobicContact CG-CB 3.82Å; E179-P302 HydrophobicContact CG-CG 3.51Å; P302-E304 WeakPolarHBondContact CB-O 3.41Å; P302-E304 PolarHBondContact O-N 3.23Å
303	R	70.8	Confident	73.1	Confident	161 Å²	161	86.1 Å²	86.1	61%	0.608	43%	0.434	S	S	*	.	S	Bend	trans	-69.2	-19.8	-179.4	-70.8	177	-179.5	-177.7	0.5	113.5	E301	E301-R303 PolarHBondContact O-N 2.65Å
304	E	68.7	Low	71.6	Confident	100 Å²	100	89.7 Å²	89.7	47%	0.467	46%	0.461	S	S	.	.	S	Bend	trans	-131.2	151.3	-179.8	-65.3	-69.1	-179.5	0	0	108.6	P251 V252 P302	P251-E304 HydrophobicContact CB-CG 4.04Å; P251-E304 HydrophobicContact CG-CG 4.43Å; V252-E304 HydrophobicContact CG2-CB 4.11Å; P302-E304 WeakPolarHBondContact CB-O 3.41Å; P302-E304 PolarHBondContact O-N 3.23Å
305	N	74.3	Confident	70.4	Confident	108 Å²	108	88.1 Å²	88.1	58%	0.578	47%	0.47	S	S	*	.			trans	-102.1	168.1	176.4	62.1	55.6	0	0	0	111.3	F307	N305-F307 VanDerWaalsContact C-N 3.26Å; N305-F307 PolarHBondContact O-N 3.26Å; N305-F307 WeakPolarHBondContact OD1-CB 3Å; N305-F307 PolarHBondContact OD1-N 2.92Å
306	S	75.7	Confident	69.2	Low	28 Å²	28	88.1 Å²	88.1	20%	0.196	47%	0.467	C	S	.	.			trans	-82.3	11.2	179.9	70.6	0	0	0	0	115.2	E179 S186 V308	E179-S306 PolarHBondContact OE2-N 3.33Å; S186-S306 WeakPolarHBondContact CB-O 3.5Å; S186-S306 PolarHBondContact OG-O 3.35Å; S306-V308 PolarHBondContact O-N 3.01Å
307	F	74.3	Confident	68.1	Low	156 Å²	156	93 Å²	93	68%	0.684	50%	0.501	S	S	*	.			trans	-75.8	110.6	-171.1	-176	-100.2	0	0	0	111.3	N305 C309	N305-F307 VanDerWaalsContact C-N 3.26Å; N305-F307 PolarHBondContact O-N 3.26Å; N305-F307 WeakPolarHBondContact OD1-CB 3Å; N305-F307 PolarHBondContact OD1-N 2.92Å; F307-C309 HydrophobicContact CE1-CB 3.85Å; F307-C309 HydrophobicContact CE2-CB 4.23Å; F307-C309 HydrophobicContact CZ-CB 3.58Å
308	V	76.8	Confident	67.1	Low	37 Å²	37	94 Å²	94	22%	0.224	51%	0.507	C	S	.	.			trans	-127	126.9	166.6	-167.5	0	0	0	0	107.4	L183 S186 V187 V190 S306	L183-V308 HydrophobicContact CD1-CG2 3.57Å; S186-V308 WeakPolarHBondContact OG-CB 3.28Å; S186-V308 PolarHBondContact OG-N 3.1Å; S186-V308 PolarHBondContact OG-O 3.05Å; V187-V308 HydrophobicContact CG2-CG2 4.08Å; V190-V308 HydrophobicContact CB-CG1 4.31Å; V190-V308 HydrophobicContact CG1-CG1 4.2Å; V190-V308 HydrophobicContact CG2-CB 4.28Å; V190-V308 HydrophobicContact CG2-CG1 4.02Å; V190-V308 WeakPolarHBondContact CG2-O 3.36Å; S306-V308 PolarHBondContact O-N 3.01Å
309	C	79.1	Confident	66.5	Low	79 Å²	79	93.5 Å²	93.5	53%	0.534	50%	0.497	S	S	.	.			trans	-134	133.4	-178.2	-173.5	0	0	0	0	109.7	F307	F307-C309 HydrophobicContact CE1-CB 3.85Å; F307-C309 HydrophobicContact CE2-CB 4.23Å; F307-C309 HydrophobicContact CZ-CB 3.58Å
310	F	77.9	Confident	66.1	Low	66 Å²	66	94.8 Å²	94.8	29%	0.289	51%	0.508	S	S	.	.			trans	-92.7	100.7	165.4	172.9	-128.6	0	0	0	108.3	V190 D193 I194 A197 R312	V190-F310 HydrophobicContact CG1-CB 4.01Å; D193-F310 HydrophobicContact CB-CD1 4.05Å; I194-F310 HydrophobicContact CD1-CD2 4.49Å; I194-F310 HydrophobicContact CG1-CB 4.36Å; I194-F310 HydrophobicContact CG1-CD1 4.07Å; I194-F310 HydrophobicContact CG1-CD2 3.89Å; I194-F310 HydrophobicContact CG1-CE1 4.3Å; I194-F310 HydrophobicContact CG1-CE2 4.15Å; I194-F310 HydrophobicContact CG1-CG 3.86Å; I194-F310 HydrophobicContact CG1-CZ 4.35Å; A197-F310 HydrophobicContact CB-CE1 3.85Å; A197-F310 HydrophobicContact CB-CZ 4.14Å; F310-R312 HydrophobicContact CD1-CG 4.41Å; F310-R312 HydrophobicContact CE1-CG 3.92Å; F310-R312 HydrophobicContact CZ-CG 4.2Å
311	E	71.5	Confident	65.8	Low	152 Å²	152	93.5 Å²	93.5	71%	0.71	50%	0.504	S	S	*	.			trans	-81.8	121.6	179.5	-167.3	167.7	-162.9	0	0	110
312	R	66.9	Low	65.7	Low	98 Å²	98	89.9 Å²	89.9	37%	0.37	49%	0.49	S	S	.	.			trans	-96.1	148.1	159.7	-58.9	-173.7	-171.5	-173.1	5.2	106.9	D193 F310 S314	D193-R312 PolarHBondContact O-NH2 2.94Å; F310-R312 HydrophobicContact CD1-CG 4.41Å; F310-R312 HydrophobicContact CE1-CG 3.92Å; F310-R312 HydrophobicContact CZ-CG 4.2Å; R312-S314 PolarHBondContact O-N 2.85Å; R312-S314 PolarHBondContact O-OG 3.22Å
313	E	57.4	Low	65.9	Low	177 Å²	177	93.2 Å²	93.2	83%	0.827	51%	0.505	S	S	*	.			trans	-51.9	110	-179.8	-157.4	164.8	-157.4	0	0	109.5	G315	E313-G315 PolarHBondContact O-N 3.17Å
314	S	48.1	Very low	66	Low	105 Å²	105	87.5 Å²	87.5	73%	0.734	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	104.8	-166.2	-70.5	0	0	0	0	109.1	R312	R312-S314 PolarHBondContact O-N 2.85Å; R312-S314 PolarHBondContact O-OG 3.22Å
315	G	51	Low	66.3	Low	73 Å²	73	87 Å²	87	75%	0.753	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	168.2	-27.4	177.5	0	0	0	0	0	113	E313	E313-G315 PolarHBondContact O-N 3.17Å
316	V	50.1	Low	66.4	Low	65 Å²	65	83.8 Å²	83.8	39%	0.394	48%	0.478	S	S	.	.			trans	-152.6	83.8	-178.3	-153.4	0	0	0	0	110.2	D318 D319	V316-D318 PolarHBondContact O-N 2.97Å; V316-D319 HydrophobicContact CB-CB 3.53Å; V316-D319 WeakPolarHBondContact CB-OD2 3.31Å; V316-D319 HydrophobicContact CG1-CB 3.44Å; V316-D319 VanDerWaalsContact CG1-CB 3.44Å; V316-D319 WeakPolarHBondContact CG1-OD2 3.46Å; V316-D319 HydrophobicContact CG2-CB 4.26Å; V316-D319 WeakPolarHBondContact CG2-OD2 3.3Å; V316-D319 PolarHBondContact O-N 3.36Å
317	S	52.9	Low	66.5	Low	107 Å²	107	87 Å²	87	75%	0.748	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	179.6	53.3	0	0	0	0	113
318	D	53	Low	66.7	Low	119 Å²	119	80.5 Å²	80.5	64%	0.636	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.3	173.4	-71.2	-12.7	0	0	0	112.7	V316 N322	V316-D318 PolarHBondContact O-N 2.97Å; D318-N322 PolarHBondContact O-N 2.84Å; D318-N322 PolarHBondContact O-ND2 2.66Å
319	D	59.3	Low	66.6	Low	80 Å²	80	83.9 Å²	83.9	43%	0.428	48%	0.48	S	S	.	.	H	α-helix	trans	-81.4	-24.1	-177	-78.3	-14.4	0	0	0	113.3	V316 A321 N322 L323	V316-D319 HydrophobicContact CB-CB 3.53Å; V316-D319 WeakPolarHBondContact CB-OD2 3.31Å; V316-D319 HydrophobicContact CG1-CB 3.44Å; V316-D319 VanDerWaalsContact CG1-CB 3.44Å; V316-D319 WeakPolarHBondContact CG1-OD2 3.46Å; V316-D319 HydrophobicContact CG2-CB 4.26Å; V316-D319 WeakPolarHBondContact CG2-OD2 3.3Å; V316-D319 PolarHBondContact O-N 3.36Å; D319-A321 PolarHBondContact O-N 3.45Å; D319-N322 CarbonylContact O-C 3.56Å; D319-N322 PolarHBondContact O-N 2.8Å; D319-L323 WeakPolarHBondContact O-CA 3.33Å; D319-L323 WeakPolarHBondContact O-CB 3.24Å; D319-L323 PolarHBondContact O-N 3.38Å
320	S	64.6	Low	66.3	Low	44 Å²	44	84.5 Å²	84.5	31%	0.308	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-42.2	-179.2	-11.6	0	0	0	0	110.1	V324	S320-V324 WeakPolarHBondContact O-CB 3.48Å; S320-V324 VanDerWaalsContact O-CG2 3.29Å; S320-V324 WeakPolarHBondContact O-CG2 2.98Å; S320-V324 PolarHBondContact O-N 2.88Å
321	A	67.1	Low	66.2	Low	15 Å²	15	87.7 Å²	87.7	12%	0.124	50%	0.5	C	S	.	.	H	α-helix	trans	-65.7	-47.4	172.9	0	0	0	0	0	111.5	I204 D319 L323 V324 E325	I204-A321 HydrophobicContact CD1-CB 4.24Å; D319-A321 PolarHBondContact O-N 3.45Å; A321-L323 VanDerWaalsContact C-N 3.31Å; A321-L323 PolarHBondContact O-N 3.29Å; A321-V324 PolarHBondContact O-N 3.29Å; A321-E325 VanDerWaalsContact O-CB 3.28Å; A321-E325 WeakPolarHBondContact O-CB 3.4Å; A321-E325 PolarHBondContact O-N 3.29Å
322	N	70.2	Confident	66.1	Low	83 Å²	83	82.2 Å²	82.2	44%	0.444	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-33.4	178.5	-62.8	-27.9	0	0	0	113.2	D318 D319 G326	D318-N322 PolarHBondContact O-N 2.84Å; D318-N322 PolarHBondContact O-ND2 2.66Å; D319-N322 CarbonylContact O-C 3.56Å; D319-N322 PolarHBondContact O-N 2.8Å; N322-G326 PolarHBondContact O-N 3.01Å
323	L	73.3	Confident	66.3	Low	105 Å²	105	82.1 Å²	82.1	55%	0.55	50%	0.499	S	S	.	.	H	α-helix	trans	-71.1	-46.4	178.2	-178.9	70.6	0	0	0	109.2	D319 A321 E325 G326 I327	D319-L323 WeakPolarHBondContact O-CA 3.33Å; D319-L323 WeakPolarHBondContact O-CB 3.24Å; D319-L323 PolarHBondContact O-N 3.38Å; A321-L323 VanDerWaalsContact C-N 3.31Å; A321-L323 PolarHBondContact O-N 3.29Å; L323-E325 VanDerWaalsContact C-N 3.34Å; L323-G326 PolarHBondContact O-N 3.42Å; L323-I327 HydrophobicContact CG-CD1 4.09Å; L323-I327 WeakPolarHBondContact O-CB 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.26Å; L323-I327 PolarHBondContact O-N 2.98Å
324	V	74.8	Confident	66.8	Low	41 Å²	41	76.1 Å²	76.1	25%	0.248	47%	0.474	C	S	.	.	H	α-helix	trans	-64.9	-40.7	174.3	172.9	0	0	0	0	110.7	L201 S320 A321 G326 I327 L328	L201-V324 HydrophobicContact CD2-CB 3.95Å; L201-V324 HydrophobicContact CD2-CG1 3.93Å; L201-V324 HydrophobicContact CD2-CG2 3.85Å; S320-V324 WeakPolarHBondContact O-CB 3.48Å; S320-V324 VanDerWaalsContact O-CG2 3.29Å; S320-V324 WeakPolarHBondContact O-CG2 2.98Å; S320-V324 PolarHBondContact O-N 2.88Å; A321-V324 PolarHBondContact O-N 3.29Å; V324-G326 VanDerWaalsContact C-N 3.34Å; V324-G326 PolarHBondContact O-N 2.75Å; V324-I327 PolarHBondContact O-N 3.39Å; V324-L328 HydrophobicContact CG1-CD1 3.58Å; V324-L328 HydrophobicContact CG1-CG 4.05Å; V324-L328 WeakPolarHBondContact O-CB 3.16Å; V324-L328 WeakPolarHBondContact O-CG 3.43Å; V324-L328 PolarHBondContact O-N 3.04Å
325	E	75.1	Confident	67.8	Low	89 Å²	89	75.4 Å²	75.4	42%	0.416	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-45.1	172.1	-172.2	173	-155.6	0	0	110.8	I204 A321 L323 I327 L328 L329	I204-E325 HydrophobicContact CG2-CB 4.11Å; I204-E325 HydrophobicContact CG2-CG 4.28Å; A321-E325 VanDerWaalsContact O-CB 3.28Å; A321-E325 WeakPolarHBondContact O-CB 3.4Å; A321-E325 PolarHBondContact O-N 3.29Å; L323-E325 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.09Å; E325-L328 PolarHBondContact O-N 3.06Å; E325-L329 VanDerWaalsContact O-CG 3.26Å; E325-L329 WeakPolarHBondContact O-CG 3.26Å; E325-L329 PolarHBondContact O-N 3.41Å
326	G	75.2	Confident	68.8	Low	41 Å²	41	74.7 Å²	74.7	42%	0.423	45%	0.446	S	S	.	.	H	α-helix	trans	-58.8	-45	174.7	0	0	0	0	0	113.3	N322 L323 V324	N322-G326 PolarHBondContact O-N 3.01Å; L323-G326 PolarHBondContact O-N 3.42Å; V324-G326 VanDerWaalsContact C-N 3.34Å; V324-G326 PolarHBondContact O-N 2.75Å
327	I	78.1	Confident	70.2	Confident	96 Å²	96	72.8 Å²	72.8	49%	0.492	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-45.5	174.5	-68	164.7	0	0	0	110	L323 V324 E325 L329 S330 F331	L323-I327 HydrophobicContact CG-CD1 4.09Å; L323-I327 WeakPolarHBondContact O-CB 3.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.26Å; L323-I327 PolarHBondContact O-N 2.98Å; V324-I327 PolarHBondContact O-N 3.39Å; E325-I327 PolarHBondContact O-N 3.09Å; I327-L329 VanDerWaalsContact C-N 3.32Å; I327-L329 PolarHBondContact O-N 2.82Å; I327-S330 PolarHBondContact O-N 2.68Å; I327-S330 PolarHBondContact O-OG 3.3Å; I327-F331 PolarHBondContact O-N 2.8Å; I327-F331 VanDerWaalsContact O-N 3.09Å
328	L	78.4	Confident	71.5	Confident	19 Å²	19	73.8 Å²	73.8	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-68.4	-29.1	-177.6	-76.4	172.1	0	0	0	113	I204 V205 R208 V324 E325 S330 F331	I204-L328 HydrophobicContact CB-CD1 4.01Å; I204-L328 HydrophobicContact CG2-CD1 3.5Å; V205-L328 HydrophobicContact CG2-CD1 3.75Å; V205-L328 HydrophobicContact CG2-CD2 4.23Å; R208-L328 HydrophobicContact CB-CB 4.43Å; R208-L328 VanDerWaalsContact CD-O 3.23Å; R208-L328 WeakPolarHBondContact CD-O 3.2Å; R208-L328 HydrophobicContact CG-CB 4.34Å; R208-L328 WeakPolarHBondContact CG-O 3.34Å; R208-L328 PolarHBondContact NE-O 3.31Å; V324-L328 HydrophobicContact CG1-CD1 3.58Å; V324-L328 HydrophobicContact CG1-CG 4.05Å; V324-L328 WeakPolarHBondContact O-CB 3.16Å; V324-L328 WeakPolarHBondContact O-CG 3.43Å; V324-L328 PolarHBondContact O-N 3.04Å; E325-L328 PolarHBondContact O-N 3.06Å; L328-S330 PolarHBondContact O-N 3.22Å; L328-F331 HydrophobicContact CD2-CB 3.99Å; L328-F331 HydrophobicContact CD2-CD1 4.23Å; L328-F331 HydrophobicContact CD2-CG 4.17Å; L328-F331 WeakPolarHBondContact O-CB 3.22Å; L328-F331 PolarHBondContact O-N 3.47Å
329	L	74.9	Confident	73.2	Confident	107 Å²	107	68.6 Å²	68.6	56%	0.56	40%	0.4	S	S	*	.	H	α-helix	trans	-57.8	-35.2	170.7	-78.1	167.6	0	0	0	111.4	R208 E325 I327	R208-L329 PolarHBondContact NH2-O 3.22Å; E325-L329 VanDerWaalsContact O-CG 3.26Å; E325-L329 WeakPolarHBondContact O-CG 3.26Å; E325-L329 PolarHBondContact O-N 3.41Å; I327-L329 VanDerWaalsContact C-N 3.32Å; I327-L329 PolarHBondContact O-N 2.82Å
330	S	73.1	Confident	74.6	Confident	93 Å²	93	68.7 Å²	68.7	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-85	-15	173	77.9	0	0	0	0	114.1	I327 L328 G332	I327-S330 PolarHBondContact O-N 2.68Å; I327-S330 PolarHBondContact O-OG 3.3Å; L328-S330 PolarHBondContact O-N 3.22Å; S330-G332 PolarHBondContact O-N 2.76Å
331	F	76.1	Confident	75.9	Confident	132 Å²	132	66.9 Å²	66.9	58%	0.579	38%	0.384	S	S	*	.	S	Bend	trans	-74.9	112.2	-177	-175.8	-96.5	0	0	0	110.7	R208 I327 L328	R208-F331 PolarHBondContact NE-O 3.25Å; R208-F331 PolarHBondContact NH2-O 2.95Å; I327-F331 PolarHBondContact O-N 2.8Å; I327-F331 VanDerWaalsContact O-N 3.09Å; L328-F331 HydrophobicContact CD2-CB 3.99Å; L328-F331 HydrophobicContact CD2-CD1 4.23Å; L328-F331 HydrophobicContact CD2-CG 4.17Å; L328-F331 WeakPolarHBondContact O-CB 3.22Å; L328-F331 PolarHBondContact O-N 3.47Å
332	G	69.5	Low	77	Confident	38 Å²	38	72.4 Å²	72.4	39%	0.392	41%	0.408	S	S	.	.			trans	71.9	144.2	-177.1	0	0	0	0	0	112.6	R208 S330	R208-G332 PolarHBondContact NH2-O 2.71Å; S330-G332 PolarHBondContact O-N 2.76Å
333	S	70.9	Confident	78.1	Confident	96 Å²	96	71.6 Å²	71.6	67%	0.671	40%	0.404	S	S	*	.			trans	-140.8	148.2	171.8	65.4	0	0	0	0	109.6
334	V	68.2	Low	79.2	Confident	51 Å²	51	66.6 Å²	66.6	31%	0.309	38%	0.378	S	S	.	.			trans	-106.2	101.8	173.2	-178.1	0	0	0	0	106.5	L212 L215 V216 V219	L212-V334 HydrophobicContact CD2-CG2 4.01Å; L215-V334 HydrophobicContact CB-CB 4.34Å; L215-V334 HydrophobicContact CB-CG2 4.16Å; V216-V334 HydrophobicContact CG2-CB 4.47Å; V216-V334 HydrophobicContact CG2-CG1 3.96Å; V216-V334 HydrophobicContact CG2-CG2 3.6Å; V219-V334 HydrophobicContact CG2-CG1 4.15Å
335	T	68.9	Low	80.3	Confident	89 Å²	89	66.9 Å²	66.9	55%	0.546	38%	0.379	S	S	.	.			trans	-94.9	137.1	179.4	54.3	0	0	0	0	110.6
336	V	71.6	Confident	81.4	Confident	58 Å²	58	62.8 Å²	62.8	35%	0.352	36%	0.36	S	S	.	.			trans	-119	116.6	171.2	174.1	0	0	0	0	108.4	V219 K223	V219-V336 HydrophobicContact CB-CG2 4.02Å; V219-V336 HydrophobicContact CG1-CG2 3.29Å; V219-V336 HydrophobicContact CG2-CG2 3.45Å; V219-V336 VanDerWaalsContact CG2-CG2 3.45Å; K223-V336 VanDerWaalsContact CE-CG1 3.44Å
337	S	79.9	Confident	82.5	Confident	26 Å²	26	65.5 Å²	65.5	18%	0.182	37%	0.365	C	S	.	.			trans	-89.1	138.1	175	-172.1	0	0	0	0	112.6	T339 D376	S337-T339 WeakPolarHBondContact OG-CB 3.39Å; S337-T339 PolarHBondContact OG-N 3.08Å; S337-T339 PolarHBondContact OG-OG1 3.39Å; S337-D376 WeakPolarHBondContact CB-OD1 2.95Å; S337-D376 PolarHBondContact OG-OD1 3.01Å
338	K	79.8	Confident	83.3	Confident	128 Å²	128	63.8 Å²	63.8	56%	0.557	36%	0.359	S	S	*	.			trans	-106.1	6.8	163.8	-64.3	-177.5	178.2	-177.4	0	111.7	F340 D365	K338-F340 PolarHBondContact O-N 2.83Å; K338-D365 HydrophobicContact CB-CB 4.3Å; K338-D365 WeakPolarHBondContact O-CA 3.24Å
339	T	88.4	Confident	83.8	Confident	10 Å²	10	64.1 Å²	64.1	6%	0.061	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-55.3	130.6	-178.2	-62.7	0	0	0	0	109.6	S337 P341 T363 V364 R371 D376 I426	S337-T339 WeakPolarHBondContact OG-CB 3.39Å; S337-T339 PolarHBondContact OG-N 3.08Å; S337-T339 PolarHBondContact OG-OG1 3.39Å; T339-P341 WeakPolarHBondContact O-CD 3.45Å; T339-T363 HydrophobicContact CG2-CG2 4.1Å; T339-V364 CarbonylContact C-O 3.59Å; T339-V364 WeakPolarHBondContact CA-O 3.18Å; T339-R371 WeakPolarHBondContact OG1-CD 3.17Å; T339-R371 WeakPolarHBondContact OG1-CG 3.26Å; T339-R371 PolarHBondContact OG1-NE 3.33Å; T339-D376 VanDerWaalsContact CB-OD2 3.26Å; T339-D376 WeakPolarHBondContact CB-OD2 3.35Å; T339-D376 WeakPolarHBondContact CG2-OD2 3.18Å; T339-D376 PolarHBondContact OG1-OD1 2.91Å; T339-D376 PolarHBondContact OG1-OD2 2.61Å; T339-I426 HydrophobicContact CG2-CD1 4.04Å; T339-I426 HydrophobicContact CG2-CG2 4.33Å
340	F	88.2	Confident	84.3	Confident	82 Å²	82	63.1 Å²	63.1	36%	0.36	37%	0.367	S	S	.	.			trans	-110.7	100.8	179.7	-168.1	-103.8	0	0	0	109.2	K338 M342 L343 C344 V364	K338-F340 PolarHBondContact O-N 2.83Å; F340-M342 VanDerWaalsContact C-N 3.3Å; F340-M342 HydrophobicContact CD1-CB 4.34Å; F340-M342 HydrophobicContact CE1-CB 3.87Å; F340-M342 PolarHBondContact O-N 2.82Å; F340-M342 VanDerWaalsContact O-N 3.15Å; F340-L343 HydrophobicContact CD1-CB 4.23Å; F340-L343 HydrophobicContact CD1-CD1 3.9Å; F340-L343 HydrophobicContact CD1-CG 3.75Å; F340-L343 HydrophobicContact CE1-CG 4.23Å; F340-L343 PolarHBondContact O-N 3.21Å; F340-L343 VanDerWaalsContact O-N 3.11Å; F340-C344 PolarHBondContact O-SG 3.34Å; F340-V364 PolarHBondContact N-O 2.87Å
341	P	92.6	Very high	85.1	Confident	6 Å²	6	59 Å²	59	4%	0.039	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-55.4	-42.3	-166.3	-27.5	34.9	0	0	0	113.5	T339 L343 C344 I426 F427 R429 I431	T339-P341 WeakPolarHBondContact O-CD 3.45Å; P341-L343 PolarHBondContact O-N 3.29Å; P341-C344 VanDerWaalsContact O-CB 3.31Å; P341-C344 WeakPolarHBondContact O-CB 3.38Å; P341-C344 PolarHBondContact O-N 2.71Å; P341-I426 HydrophobicContact CB-CB 4.06Å; P341-I426 HydrophobicContact CG-CB 3.9Å; P341-I426 HydrophobicContact CG-CG2 4.47Å; P341-I426 VanDerWaalsContact CG-O 3.24Å; P341-I426 WeakPolarHBondContact CG-O 3.43Å; P341-F427 HydrophobicContact CG-CD2 4Å; P341-R429 HydrophobicContact CB-CB 4.07Å; P341-R429 HydrophobicContact CG-CB 4.1Å; P341-I431 VanDerWaalsContact O-CA 3.25Å; P341-I431 WeakPolarHBondContact O-CA 3.45Å
342	M	89.1	Confident	85.7	Confident	130 Å²	130	53.6 Å²	53.6	64%	0.64	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-66.8	-8.3	-175.1	-172	168.3	-87.5	0	0	114.7	F340 K432	F340-M342 VanDerWaalsContact C-N 3.3Å; F340-M342 HydrophobicContact CD1-CB 4.34Å; F340-M342 HydrophobicContact CE1-CB 3.87Å; F340-M342 PolarHBondContact O-N 2.82Å; F340-M342 VanDerWaalsContact O-N 3.15Å; M342-K432 WeakPolarHBondContact O-CB 3.46Å
343	L	93.8	Very high	86.5	Confident	67 Å²	67	55.8 Å²	55.8	35%	0.351	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-106.2	-13	171.1	-68	177.6	0	0	0	113.2	F340 P341 V364	F340-L343 HydrophobicContact CD1-CB 4.23Å; F340-L343 HydrophobicContact CD1-CD1 3.9Å; F340-L343 HydrophobicContact CD1-CG 3.75Å; F340-L343 HydrophobicContact CE1-CG 4.23Å; F340-L343 PolarHBondContact O-N 3.21Å; F340-L343 VanDerWaalsContact O-N 3.11Å; P341-L343 PolarHBondContact O-N 3.29Å; L343-V364 VanDerWaalsContact C-CG2 3.42Å; L343-V364 HydrophobicContact CB-CG2 3.39Å; L343-V364 WeakPolarHBondContact O-CG2 3.45Å
344	C	97.6	Very high	87.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.			trans	-69.9	149.7	177.1	-56.5	0	0	0	0	110.3	F340 P341 L361 V364 I426 I431 K432	F340-C344 PolarHBondContact O-SG 3.34Å; P341-C344 VanDerWaalsContact O-CB 3.31Å; P341-C344 WeakPolarHBondContact O-CB 3.38Å; P341-C344 PolarHBondContact O-N 2.71Å; C344-L361 HydrophobicContact CB-CD1 4.24Å; C344-V364 PolarHBondContact SG-N 2.78Å; C344-V364 VanDerWaalsContact SG-N 3.37Å; C344-I426 HydrophobicContact CB-CD1 4.08Å; C344-I431 HydrophobicContact CB-CB 4.29Å; C344-I431 HydrophobicContact CB-CG2 4Å; C344-K432 WeakPolarHBondContact O-CB 3.23Å; C344-K432 PolarHBondContact O-N 3.38Å
345	V	97.9	Very high	88	Confident	47 Å²	47	52.1 Å²	52.1	29%	0.285	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.8	-177	-68.4	0	0	0	0	110.5	T362 K432 N433	V345-T362 PolarHBondContact N-O 2.97Å; V345-T362 PolarHBondContact O-N 2.87Å; V345-K432 HydrophobicContact CG1-CB 4.25Å; V345-K432 HydrophobicContact CG1-CD 4.13Å; V345-N433 WeakPolarHBondContact CA-OD1 2.95Å
346	A	98.2	Very high	88.8	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.5	176.7	0	0	0	0	0	111.1	V359 L360 L361 I431 N433 L436	A346-V359 HydrophobicContact CB-CG1 3.74Å; A346-L360 CarbonylContact C-O 3.55Å; A346-L360 VanDerWaalsContact CA-O 3.28Å; A346-L360 WeakPolarHBondContact CA-O 3.34Å; A346-L361 HydrophobicContact CB-CB 4.37Å; A346-L361 HydrophobicContact CB-CD1 4.13Å; A346-I431 HydrophobicContact CB-CD1 3.48Å; A346-I431 VanDerWaalsContact CB-CD1 3.48Å; A346-N433 PolarHBondContact N-OD1 2.75Å; A346-N433 VanDerWaalsContact N-OD1 3.11Å; A346-N433 PolarHBondContact O-ND2 2.79Å; A346-L436 HydrophobicContact CB-CD1 3.75Å; A346-L436 HydrophobicContact CB-CD2 4.33Å; A346-L436 WeakPolarHBondContact O-CD2 3.36Å
347	D	97.6	Very high	89.7	Confident	98 Å²	98	48.4 Å²	48.4	52%	0.524	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124	-177.4	-69.1	-50	0	0	0	110.5	V359 L360	D347-V359 WeakPolarHBondContact O-CA 3.44Å; D347-V359 VanDerWaalsContact O-CG1 3.31Å; D347-V359 WeakPolarHBondContact O-CG1 3.37Å; D347-L360 PolarHBondContact N-O 2.6Å; D347-L360 PolarHBondContact O-N 3.28Å
348	V	95.1	Very high	90.2	Very high	61 Å²	61	48.6 Å²	48.6	37%	0.37	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.7	-176.1	178.4	0	0	0	0	110.1	V359 L436 I438	V348-V359 HydrophobicContact CG1-CG2 4.5Å; V348-V359 HydrophobicContact CG2-CG1 4.45Å; V348-V359 HydrophobicContact CG2-CG2 4.18Å; V348-L436 HydrophobicContact CG2-CB 3.88Å; V348-L436 HydrophobicContact CG2-CD1 3.95Å; V348-L436 HydrophobicContact CG2-CD2 4.37Å; V348-L436 HydrophobicContact CG2-CG 4.3Å; V348-I438 HydrophobicContact CG1-CB 4.27Å; V348-I438 HydrophobicContact CG1-CD1 4.26Å; V348-I438 HydrophobicContact CG1-CG1 3.81Å; V348-I438 HydrophobicContact CG1-CG2 3.95Å; V348-I438 HydrophobicContact CG2-CG1 4.15Å
349	G	87.9	Confident	91.1	Very high	25 Å²	25	42.5 Å²	42.5	26%	0.258	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-76.2	171.7	171.5	0	0	0	0	0	113.2	A351 S358	G349-A351 PolarHBondContact O-N 3.38Å; G349-S358 PolarHBondContact N-O 2.86Å; G349-S358 VanDerWaalsContact N-O 3.16Å
350	P	86.1	Confident	91.6	Very high	86 Å²	86	45.5 Å²	45.5	56%	0.558	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-63.3	129	175.8	26.7	-33.6	0	0	0	110.9	L447 R731	P350-L447 HydrophobicContact CG-CD2 4.38Å; P350-R731 PolarHBondContact O-NH1 2.49Å
351	A	90.1	Very high	92	Very high	8 Å²	8	41.6 Å²	41.6	7%	0.066	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.2	-175.6	0	0	0	0	0	112.1	G349 C357 Y412 I438 V440 S441	G349-A351 PolarHBondContact O-N 3.38Å; A351-C357 HydrophobicContact CB-CB 4.31Å; A351-Y412 WeakPolarHBondContact CB-OH 3.46Å; A351-I438 HydrophobicContact CB-CG2 3.57Å; A351-V440 HydrophobicContact CB-CG2 3.92Å; A351-S441 PolarHBondContact O-N 3.24Å
352	T	87.6	Confident	92.3	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.104	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	-179.2	-59.6	0	0	0	0	109.7	N354 L355 C357 P414 N444	T352-N354 PolarHBondContact O-N 2.97Å; T352-L355 HydrophobicContact CG2-CD1 3.76Å; T352-L355 HydrophobicContact CG2-CG 4.13Å; T352-L355 PolarHBondContact O-N 2.96Å; T352-C357 PolarHBondContact N-SG 2.97Å; T352-P414 WeakPolarHBondContact O-CG 3.2Å; T352-N444 HydrophobicContact CG2-CB 4.04Å
353	K	87.3	Confident	92.7	Very high	84 Å²	84	36.6 Å²	36.6	37%	0.365	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	132.9	176.1	-176.9	-173.9	175.4	-177.6	0	111.1	L355 R415 V440 S441	K353-L355 PolarHBondContact O-N 2.97Å; K353-R415 WeakPolarHBondContact CE-O 3.46Å; K353-R415 WeakPolarHBondContact CG-O 3.43Å; K353-V440 HydrophobicContact CB-CG1 4.23Å; K353-V440 VanDerWaalsContact N-CG1 3.25Å; K353-S441 PolarHBondContact N-O 2.87Å
354	N	84.4	Confident	92.8	Very high	67 Å²	67	34.2 Å²	34.2	36%	0.358	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	12.6	176.8	-61.5	-36.7	0	0	0	116.4	T352 P414 K733	T352-N354 PolarHBondContact O-N 2.97Å; N354-P414 PolarHBondContact N-O 2.8Å; N354-K733 WeakPolarHBondContact O-CD 3.34Å; N354-K733 WeakPolarHBondContact O-CG 3.45Å
355	L	85.5	Confident	92.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-109	153.9	173.5	-59.2	-174.8	0	0	0	111	T352 K353 C357 P414 N444 N694 R731 K733	T352-L355 HydrophobicContact CG2-CD1 3.76Å; T352-L355 HydrophobicContact CG2-CG 4.13Å; T352-L355 PolarHBondContact O-N 2.96Å; K353-L355 PolarHBondContact O-N 2.97Å; L355-C357 PolarHBondContact O-N 3.17Å; L355-C357 PolarHBondContact O-SG 3.1Å; L355-P414 WeakPolarHBondContact O-CD 3.19Å; L355-N444 HydrophobicContact CD1-CB 4.2Å; L355-N444 VanDerWaalsContact CD1-CG 3.5Å; L355-N694 VanDerWaalsContact CD2-ND2 3.3Å; L355-N694 WeakPolarHBondContact CD2-ND2 3.4Å; L355-R731 HydrophobicContact CD1-CB 4.27Å; L355-K733 HydrophobicContact CD2-CB 4.08Å
356	L	86.3	Confident	91.5	Very high	67 Å²	67	39.4 Å²	39.4	35%	0.351	22%	0.216	S	C	.	.			trans	-61.3	122.3	165.7	-165.9	68.4	0	0	0	109.1	I413 R731	L356-I413 HydrophobicContact CD1-CD1 4.26Å; L356-I413 HydrophobicContact CD1-CG1 3.85Å; L356-R731 VanDerWaalsContact O-CD 3.26Å; L356-R731 WeakPolarHBondContact O-CD 3.48Å; L356-R731 PolarHBondContact O-NH1 2.79Å
357	C	89.7	Confident	90.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151	178.4	-57.9	0	0	0	0	107.8	A351 T352 L355 T411 Y412	A351-C357 HydrophobicContact CB-CB 4.31Å; T352-C357 PolarHBondContact N-SG 2.97Å; L355-C357 PolarHBondContact O-N 3.17Å; L355-C357 PolarHBondContact O-SG 3.1Å; C357-T411 CarbonylContact O-C 3.58Å; C357-T411 VanDerWaalsContact O-CA 3.28Å; C357-T411 WeakPolarHBondContact O-CA 3.35Å; C357-Y412 HydrophobicContact CB-CD1 4.33Å; C357-Y412 HydrophobicContact CB-CD2 4.11Å; C357-Y412 HydrophobicContact CB-CE1 3.79Å; C357-Y412 HydrophobicContact CB-CE2 3.58Å; C357-Y412 HydrophobicContact CB-CG 4.46Å; C357-Y412 PolarHBondContact N-O 2.85Å; C357-Y412 WeakPolarHBondContact O-CD1 3.42Å; C357-Y412 PolarHBondContact O-N 2.94Å
358	S	92.1	Very high	90.3	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.9	-179.4	62.7	0	0	0	0	112.9	G349 E409 L410	G349-S358 PolarHBondContact N-O 2.86Å; G349-S358 VanDerWaalsContact N-O 3.16Å; S358-E409 WeakPolarHBondContact CB-OE1 3.4Å; S358-E409 PolarHBondContact OG-OE1 3.4Å; S358-L410 CarbonylContact C-O 3.54Å; S358-L410 VanDerWaalsContact CA-O 3.3Å; S358-L410 WeakPolarHBondContact CA-O 3.44Å
359	V	97.5	Very high	90.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	167	176.7	0	0	0	0	107.1	A346 D347 V348 L410 Y412 M422 L436 I438	A346-V359 HydrophobicContact CB-CG1 3.74Å; D347-V359 WeakPolarHBondContact O-CA 3.44Å; D347-V359 VanDerWaalsContact O-CG1 3.31Å; D347-V359 WeakPolarHBondContact O-CG1 3.37Å; V348-V359 HydrophobicContact CG1-CG2 4.5Å; V348-V359 HydrophobicContact CG2-CG1 4.45Å; V348-V359 HydrophobicContact CG2-CG2 4.18Å; V359-L410 HydrophobicContact CB-CB 4.19Å; V359-L410 HydrophobicContact CB-CD1 4.36Å; V359-L410 HydrophobicContact CG1-CD1 4.31Å; V359-L410 PolarHBondContact N-O 2.87Å; V359-L410 PolarHBondContact O-N 2.94Å; V359-Y412 HydrophobicContact CG2-CE1 3.97Å; V359-M422 HydrophobicContact CB-SD 4.3Å; V359-M422 HydrophobicContact CG2-CE 4.2Å; V359-M422 HydrophobicContact CG2-SD 3.86Å; V359-L436 HydrophobicContact CG1-CD1 3.51Å; V359-L436 HydrophobicContact CG2-CD1 4.38Å; V359-I438 HydrophobicContact CG2-CD1 4.03Å
360	L	98.1	Very high	90.5	Very high	74 Å²	74	49.1 Å²	49.1	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.3	178	-179	65.5	0	0	0	109.8	A346 D347	A346-L360 CarbonylContact C-O 3.55Å; A346-L360 VanDerWaalsContact CA-O 3.28Å; A346-L360 WeakPolarHBondContact CA-O 3.34Å; D347-L360 PolarHBondContact N-O 2.6Å; D347-L360 PolarHBondContact O-N 3.28Å
361	L	98.5	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.9	171.6	171	65.5	0	0	0	109.8	C344 A346 T363 V378 T407 Y408 L410 V424 I426 I431	C344-L361 HydrophobicContact CB-CD1 4.24Å; A346-L361 HydrophobicContact CB-CB 4.37Å; A346-L361 HydrophobicContact CB-CD1 4.13Å; L361-T363 HydrophobicContact CD2-CG2 4.22Å; L361-T363 HydrophobicContact CG-CG2 4.13Å; L361-V378 HydrophobicContact CD2-CB 4.32Å; L361-V378 HydrophobicContact CD2-CG1 3.5Å; L361-V378 VanDerWaalsContact CD2-CG1 3.5Å; L361-V378 HydrophobicContact CD2-CG2 3.82Å; L361-T407 CarbonylContact O-C 3.51Å; L361-T407 WeakPolarHBondContact O-CA 3.3Å; L361-T407 WeakPolarHBondContact O-CB 3.28Å; L361-Y408 HydrophobicContact CD2-CD2 4Å; L361-Y408 HydrophobicContact CD2-CG 4.35Å; L361-Y408 HydrophobicContact CG-CD2 4.34Å; L361-Y408 PolarHBondContact N-O 3.43Å; L361-Y408 PolarHBondContact O-N 3.25Å; L361-L410 HydrophobicContact CB-CD1 4.39Å; L361-L410 HydrophobicContact CB-CG 4.5Å; L361-V424 HydrophobicContact CD2-CG1 4.22Å; L361-I426 HydrophobicContact CD2-CD1 4.04Å; L361-I426 HydrophobicContact CD2-CG1 4.36Å; L361-I431 HydrophobicContact CD1-CD1 3.89Å; L361-I431 HydrophobicContact CD1-CG2 4.14Å
362	T	98.3	Very high	90.8	Very high	30 Å²	30	51.6 Å²	51.6	18%	0.184	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	170.4	-60.5	0	0	0	0	110	V345 R370	V345-T362 PolarHBondContact N-O 2.97Å; V345-T362 PolarHBondContact O-N 2.87Å; T362-R370 HydrophobicContact CG2-CG 4.1Å
363	T	97.7	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.			trans	-97.2	145.8	180	66.6	0	0	0	0	113.1	T339 L361 R371 G406 Y408 I426	T339-T363 HydrophobicContact CG2-CG2 4.1Å; L361-T363 HydrophobicContact CD2-CG2 4.22Å; L361-T363 HydrophobicContact CG-CG2 4.13Å; T363-R371 PolarHBondContact O-N 2.82Å; T363-R371 WeakPolarHBondContact OG1-CB 3.41Å; T363-R371 WeakPolarHBondContact OG1-CG 3.48Å; T363-G406 WeakPolarHBondContact CB-O 3.2Å; T363-G406 PolarHBondContact N-O 2.82Å; T363-G406 PolarHBondContact OG1-O 2.87Å; T363-Y408 HydrophobicContact CG2-CD2 3.82Å; T363-Y408 HydrophobicContact CG2-CE2 3.51Å; T363-I426 HydrophobicContact CG2-CD1 3.74Å
364	V	94.5	Very high	90.7	Very high	17 Å²	17	50.3 Å²	50.3	10%	0.103	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-136.7	158.7	-179.8	-59.3	0	0	0	0	110.2	T339 F340 L343 C344 L369	T339-V364 CarbonylContact C-O 3.59Å; T339-V364 WeakPolarHBondContact CA-O 3.18Å; F340-V364 PolarHBondContact N-O 2.87Å; L343-V364 VanDerWaalsContact C-CG2 3.42Å; L343-V364 HydrophobicContact CB-CG2 3.39Å; L343-V364 WeakPolarHBondContact O-CG2 3.45Å; C344-V364 PolarHBondContact SG-N 2.78Å; C344-V364 VanDerWaalsContact SG-N 3.37Å; V364-L369 CarbonylContact C-O 3.32Å; V364-L369 WeakPolarHBondContact CA-O 3.19Å; V364-L369 WeakPolarHBondContact CB-O 3.38Å
365	D	88.2	Confident	90.7	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-84.3	-173.5	172	66.9	19.7	0	0	0	112.9	K338 E367 G368 L369	K338-D365 HydrophobicContact CB-CB 4.3Å; K338-D365 WeakPolarHBondContact O-CA 3.24Å; D365-E367 PolarHBondContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CA 3.25Å; D365-E367 WeakPolarHBondContact OD1-CB 3.31Å; D365-E367 PolarHBondContact OD1-N 2.92Å; D365-G368 PolarHBondContact O-N 3.02Å; D365-G368 PolarHBondContact OD1-N 2.92Å; D365-L369 PolarHBondContact N-O 3.09Å; D365-L369 PolarHBondContact OD1-N 2.89Å
366	Y	81.3	Confident	91	Very high	134 Å²	134	49.4 Å²	49.4	53%	0.525	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.6	-179.2	64.1	-93.5	0	0	0	113.7	G368	Y366-G368 VanDerWaalsContact C-N 3.34Å
367	E	84.2	Confident	91.2	Very high	123 Å²	123	49.5 Å²	49.5	58%	0.575	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-5	172	-71.2	167.1	-159.5	0	0	111.4	D365 L369	D365-E367 PolarHBondContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CA 3.25Å; D365-E367 WeakPolarHBondContact OD1-CB 3.31Å; D365-E367 PolarHBondContact OD1-N 2.92Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 HydrophobicContact CB-CD1 4.49Å; E367-L369 HydrophobicContact CB-CG 4.37Å
368	G	86.4	Confident	91.4	Very high	38 Å²	38	50 Å²	50	39%	0.392	28%	0.275	S	S	.	.			trans	81.9	10.8	-177.5	0	0	0	0	0	113.7	D365 Y366	D365-G368 PolarHBondContact O-N 3.02Å; D365-G368 PolarHBondContact OD1-N 2.92Å; Y366-G368 VanDerWaalsContact C-N 3.34Å
369	L	92.7	Very high	91.6	Very high	102 Å²	102	51.8 Å²	51.8	53%	0.534	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-80	136.5	177.3	-63.4	174.1	0	0	0	110.3	V364 D365 E367 R371	V364-L369 CarbonylContact C-O 3.32Å; V364-L369 WeakPolarHBondContact CA-O 3.19Å; V364-L369 WeakPolarHBondContact CB-O 3.38Å; D365-L369 PolarHBondContact N-O 3.09Å; D365-L369 PolarHBondContact OD1-N 2.89Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 HydrophobicContact CB-CD1 4.49Å; E367-L369 HydrophobicContact CB-CG 4.37Å; L369-R371 PolarHBondContact O-N 3.33Å
370	R	95.1	Very high	91.5	Very high	126 Å²	126	52.8 Å²	52.8	48%	0.475	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-60.2	131.5	178.9	-167.4	-170.2	172.3	-93.2	16.6	110.1	T362 D405 T407	T362-R370 HydrophobicContact CG2-CG 4.1Å; R370-D405 IonicContact CZ-OD2 3.66Å; R370-D405 PolarHBondContact NH1-O 2.77Å; R370-D405 IonicContact NH1-OD2 3.78Å; R370-D405 IonicContact NH2-OD1 3.98Å; R370-D405 IonicContact NH2-OD2 3.14Å; R370-D405 PolarHBondContact NH2-OD2 3.27Å; R370-T407 VanDerWaalsContact NH2-CG2 3.28Å
371	R	92.2	Very high	91.3	Very high	26 Å²	26	52.1 Å²	52.1	10%	0.098	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-67.5	148.7	171.1	-60.3	-78.1	-71.2	108.2	16.4	108.8	T339 T363 L369 T373	T339-R371 WeakPolarHBondContact OG1-CD 3.17Å; T339-R371 WeakPolarHBondContact OG1-CG 3.26Å; T339-R371 PolarHBondContact OG1-NE 3.33Å; T363-R371 PolarHBondContact O-N 2.82Å; T363-R371 WeakPolarHBondContact OG1-CB 3.41Å; T363-R371 WeakPolarHBondContact OG1-CG 3.48Å; L369-R371 PolarHBondContact O-N 3.33Å; R371-T373 VanDerWaalsContact CZ-OG1 3.32Å; R371-T373 PolarHBondContact NH1-OG1 3.37Å; R371-T373 PolarHBondContact NH2-OG1 3.25Å
372	N	89.5	Confident	91.1	Very high	120 Å²	120	52.1 Å²	52.1	64%	0.642	29%	0.291	S	S	*	.			trans	-119.3	13.4	178.7	62.4	-11.4	0	0	0	111.8	D405	N372-D405 WeakPolarHBondContact CA-O 3.49Å
373	T	85.9	Confident	90.8	Very high	63 Å²	63	51.6 Å²	51.6	39%	0.387	29%	0.288	S	S	.	.			trans	-143.9	140.9	-176.5	38.8	0	0	0	0	108.6	R371 G404 G406	R371-T373 VanDerWaalsContact CZ-OG1 3.32Å; R371-T373 PolarHBondContact NH1-OG1 3.37Å; R371-T373 PolarHBondContact NH2-OG1 3.25Å; T373-G404 WeakPolarHBondContact CA-O 3.31Å; T373-G406 WeakPolarHBondContact O-CA 3.44Å
374	G	87.5	Confident	90.6	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	29%	0.293	C	S	.	.			trans	-82.8	-157.8	173.1	0	0	0	0	0	114.4	D402 G404 Y408	G374-D402 WeakPolarHBondContact CA-OD1 3.21Å; G374-D402 WeakPolarHBondContact CA-OD2 3.49Å; G374-G404 PolarHBondContact N-O 3.11Å; G374-Y408 WeakPolarHBondContact CA-OH 3.48Å
375	G	84.4	Confident	90.3	Very high	42 Å²	42	55.8 Å²	55.8	43%	0.433	31%	0.308	S	S	.	.			trans	93.5	6.8	173.5	0	0	0	0	0	115.6	D402 Y408	G375-D402 PolarHBondContact N-OD2 2.89Å; G375-Y408 PolarHBondContact N-OH 3.31Å
376	D	90.2	Very high	90.1	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.053	32%	0.32	C	S	.	.			trans	-73.5	140.7	175.5	-61	-37.9	0	0	0	110.5	S337 T339 V378 Y408 I426 F427	S337-D376 WeakPolarHBondContact CB-OD1 2.95Å; S337-D376 PolarHBondContact OG-OD1 3.01Å; T339-D376 VanDerWaalsContact CB-OD2 3.26Å; T339-D376 WeakPolarHBondContact CB-OD2 3.35Å; T339-D376 WeakPolarHBondContact CG2-OD2 3.18Å; T339-D376 PolarHBondContact OG1-OD1 2.91Å; T339-D376 PolarHBondContact OG1-OD2 2.61Å; D376-V378 HydrophobicContact CB-CG2 4.09Å; D376-V378 PolarHBondContact O-N 3.15Å; D376-Y408 HydrophobicContact CB-CE2 4.45Å; D376-Y408 WeakPolarHBondContact CB-OH 3.41Å; D376-Y408 PolarHBondContact N-OH 2.64Å; D376-Y408 PolarHBondContact OD2-OH 3.03Å; D376-I426 HydrophobicContact CB-CG2 3.75Å; D376-F427 HydrophobicContact CB-CZ 4.29Å
377	P	90.4	Very high	90	Very high	68 Å²	68	58.4 Å²	58.4	44%	0.442	34%	0.335	S	S	.	.			trans	-75.9	78.6	174.5	32.8	-32.9	0	0	0	109.1	F427	P377-F427 HydrophobicContact CG-CD1 3.29Å; P377-F427 HydrophobicContact CG-CE1 3.46Å; P377-F427 VanDerWaalsContact CG-CE1 3.46Å; P377-F427 HydrophobicContact CG-CG 4.14Å; P377-F427 HydrophobicContact CG-CZ 4.39Å; P377-F427 PolarHBondContact O-N 3Å
378	V	95.3	Very high	89.6	Confident	13 Å²	13	60.5 Å²	60.5	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.8	175.5	179.2	0	0	0	0	108.9	L361 D376 V400 Y408 L410 V424 T425 I426	L361-V378 HydrophobicContact CD2-CB 4.32Å; L361-V378 HydrophobicContact CD2-CG1 3.5Å; L361-V378 VanDerWaalsContact CD2-CG1 3.5Å; L361-V378 HydrophobicContact CD2-CG2 3.82Å; D376-V378 HydrophobicContact CB-CG2 4.09Å; D376-V378 PolarHBondContact O-N 3.15Å; V378-V400 HydrophobicContact CB-CG1 3.9Å; V378-V400 HydrophobicContact CG1-CG1 3.99Å; V378-Y408 HydrophobicContact CB-CD1 4.35Å; V378-Y408 HydrophobicContact CG2-CD1 3.8Å; V378-Y408 HydrophobicContact CG2-CD2 3.93Å; V378-Y408 HydrophobicContact CG2-CE1 3.83Å; V378-Y408 HydrophobicContact CG2-CE2 3.98Å; V378-Y408 HydrophobicContact CG2-CG 3.87Å; V378-L410 HydrophobicContact CG1-CD2 3.88Å; V378-V424 HydrophobicContact CG1-CG1 4.36Å; V378-T425 WeakPolarHBondContact CA-O 3.45Å; V378-I426 HydrophobicContact CG2-CD1 4.46Å; V378-I426 HydrophobicContact CG2-CG1 4.13Å; V378-I426 HydrophobicContact CG2-CG2 4.35Å
379	C	95.4	Very high	88.8	Confident	67 Å²	67	59.8 Å²	59.8	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.4	175.4	-71.8	0	0	0	0	109.4	T425	C379-T425 PolarHBondContact N-O 2.68Å; C379-T425 PolarHBondContact O-N 2.96Å; C379-T425 PolarHBondContact O-OG1 2.8Å
380	A	96	Very high	87.6	Confident	21 Å²	21	58.6 Å²	58.6	17%	0.174	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.4	177.5	0	0	0	0	0	111.1	V398 L410 M422 E423 V424	A380-V398 HydrophobicContact CB-CB 3.93Å; A380-V398 HydrophobicContact CB-CG1 3.65Å; A380-V398 HydrophobicContact CB-CG2 4.32Å; A380-L410 HydrophobicContact CB-CD1 4.13Å; A380-L410 HydrophobicContact CB-CD2 4.31Å; A380-M422 HydrophobicContact CB-SD 4.39Å; A380-E423 CarbonylContact C-O 3.58Å; A380-E423 VanDerWaalsContact CA-O 3.23Å; A380-E423 WeakPolarHBondContact CA-O 3.41Å; A380-V424 HydrophobicContact CB-CG2 4.28Å
381	L	93.1	Very high	86.3	Confident	59 Å²	59	61 Å²	61	31%	0.309	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.1	176.4	178.2	66.6	0	0	0	109.4	K395 M422 E423	L381-K395 HydrophobicContact CD1-CB 4.2Å; L381-K395 HydrophobicContact CD1-CD 4.13Å; L381-K395 HydrophobicContact CD1-CG 4.09Å; L381-K395 HydrophobicContact CD2-CD 4.43Å; L381-M422 CarbonylContact O-C 3.52Å; L381-M422 WeakPolarHBondContact O-CA 3.4Å; L381-E423 HydrophobicContact CB-CB 4.46Å; L381-E423 PolarHBondContact N-O 3.22Å; L381-E423 PolarHBondContact O-N 3.05Å
382	L	95	Very high	84.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.9	177.8	-175.8	68.1	0	0	0	110.8	K395 M396 V398 Y412 Y420 M422 I438	L382-K395 WeakPolarHBondContact O-CA 3.46Å; L382-M396 HydrophobicContact CB-CB 4.33Å; L382-M396 HydrophobicContact CD2-CB 4.37Å; L382-M396 HydrophobicContact CD2-CE 3.82Å; L382-M396 HydrophobicContact CD2-SD 4.31Å; L382-M396 PolarHBondContact O-N 2.88Å; L382-V398 HydrophobicContact CB-CG2 3.48Å; L382-V398 VanDerWaalsContact CB-CG2 3.48Å; L382-Y412 HydrophobicContact CD2-CD2 3.25Å; L382-Y412 HydrophobicContact CD2-CE2 3.96Å; L382-Y412 HydrophobicContact CD2-CG 3.6Å; L382-Y420 HydrophobicContact CD1-CD1 4.16Å; L382-Y420 HydrophobicContact CD1-CG 4.31Å; L382-Y420 HydrophobicContact CD2-CD1 4.12Å; L382-Y420 HydrophobicContact CG-CD1 3.92Å; L382-M422 HydrophobicContact CB-CE 4.24Å; L382-M422 HydrophobicContact CD1-CB 3.85Å; L382-M422 HydrophobicContact CD1-CE 3.94Å; L382-M422 HydrophobicContact CD1-CG 4.46Å; L382-M422 HydrophobicContact CD2-CE 4.5Å; L382-M422 HydrophobicContact CG-CE 4.47Å; L382-I438 HydrophobicContact CD1-CD1 4.05Å
383	S	92.5	Very high	83.5	Confident	19 Å²	19	65.4 Å²	65.4	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.7	179.9	-52.2	0	0	0	0	112.9	L394 Y420 R421	S383-L394 WeakPolarHBondContact CA-O 3.46Å; S383-L394 WeakPolarHBondContact CB-O 3.35Å; S383-L394 PolarHBondContact OG-O 2.8Å; S383-Y420 CarbonylContact O-C 3.52Å; S383-Y420 VanDerWaalsContact O-CA 3.23Å; S383-Y420 WeakPolarHBondContact O-CA 3.42Å; S383-Y420 WeakPolarHBondContact O-CB 3.17Å; S383-R421 PolarHBondContact N-O 2.83Å; S383-R421 PolarHBondContact O-N 3.06Å
384	Y	92.5	Very high	82.8	Confident	23 Å²	23	65.6 Å²	65.6	9%	0.09	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.6	177.2	-174.2	-138.1	0	0	0	111.1	H386 A389 D393 L394 N416 A417 F419 Y420	Y384-H386 HydrophobicContact CD1-CB 3.77Å; Y384-H386 HydrophobicContact CE1-CB 3.3Å; Y384-H386 AromaticContact CE1-CG 3.94Å; Y384-H386 HydrophobicContact CE2-CB 4.31Å; Y384-H386 HydrophobicContact CG-CB 4.44Å; Y384-H386 PolarHBondContact O-N 2.92Å; Y384-A389 HydrophobicContact CD1-CB 4.12Å; Y384-D393 WeakPolarHBondContact CB-O 3.33Å; Y384-L394 WeakPolarHBondContact O-CD2 3.15Å; Y384-N416 HydrophobicContact CE1-CB 3.79Å; Y384-N416 HydrophobicContact CE2-CB 4.04Å; Y384-N416 WeakPolarHBondContact OH-CB 3.09Å; Y384-A417 PolarHBondContact OH-O 3.06Å; Y384-F419 WeakPolarHBondContact CD2-O 3.48Å; Y384-Y420 AromaticContact CD2-CD1 3.96Å; Y384-Y420 HydrophobicContact CD2-CD1 3.96Å; Y384-Y420 AromaticContact CD2-CD2 3.8Å; Y384-Y420 HydrophobicContact CD2-CD2 3.8Å; Y384-Y420 AromaticContact CD2-CE1 3.56Å; Y384-Y420 HydrophobicContact CD2-CE1 3.56Å; Y384-Y420 AromaticContact CD2-CE2 3.37Å; Y384-Y420 HydrophobicContact CD2-CE2 3.37Å; Y384-Y420 HydrophobicContact CD2-CG 4.08Å; Y384-Y420 AromaticContact CD2-CZ 3.25Å; Y384-Y420 HydrophobicContact CE2-CD2 4.29Å; Y384-Y420 AromaticContact CE2-CE2 3.66Å; Y384-Y420 HydrophobicContact CE2-CE2 3.66Å; Y384-Y420 AromaticContact CE2-CZ 3.82Å; Y384-Y420 HydrophobicContact CG-CD1 4.37Å; Y384-Y420 AromaticContact CG-CE1 3.85Å; Y384-Y420 HydrophobicContact CG-CE1 3.85Å; Y384-Y420 HydrophobicContact CG-CE2 4.41Å; Y384-Y420 AromaticContact CG-CZ 3.88Å
385	L	89.3	Confident	82.4	Confident	82 Å²	82	71.8 Å²	71.8	43%	0.429	39%	0.388	S	S	.	.			trans	-95.4	79.2	-179.4	-58.9	-179.3	0	0	0	110.2	F419 R421 F437	L385-F419 WeakPolarHBondContact CA-O 3.46Å; L385-F419 HydrophobicContact CB-CB 4.33Å; L385-F419 WeakPolarHBondContact CB-O 3.41Å; L385-F419 HydrophobicContact CD1-CB 4.49Å; L385-F419 PolarHBondContact N-O 3.39Å; L385-R421 HydrophobicContact CD1-CB 4.04Å; L385-R421 HydrophobicContact CD2-CB 3.99Å; L385-R421 HydrophobicContact CG-CB 4.07Å; L385-F437 HydrophobicContact CD1-CD1 4.02Å; L385-F437 HydrophobicContact CD1-CE1 4.09Å
386	H	84.1	Confident	82.3	Confident	82 Å²	82	70.8 Å²	70.8	38%	0.38	37%	0.372	S	S	.	.			trans	-132.4	135.2	174	-169.3	-85.9	0	0	0	111.2	Y384 E388 A389	Y384-H386 HydrophobicContact CD1-CB 3.77Å; Y384-H386 HydrophobicContact CE1-CB 3.3Å; Y384-H386 AromaticContact CE1-CG 3.94Å; Y384-H386 HydrophobicContact CE2-CB 4.31Å; Y384-H386 HydrophobicContact CG-CB 4.44Å; Y384-H386 PolarHBondContact O-N 2.92Å; H386-E388 PolarHBondContact ND1-N 2.94Å; H386-E388 PolarHBondContact O-N 3.33Å; H386-A389 HydrophobicContact CB-CB 4.19Å; H386-A389 VanDerWaalsContact O-CB 3.32Å; H386-A389 WeakPolarHBondContact O-CB 3.5Å; H386-A389 PolarHBondContact O-N 3.39Å
387	P	77.4	Confident	82.1	Confident	130 Å²	130	74.9 Å²	74.9	84%	0.844	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.2	-175.1	-24.8	33.3	0	0	0	114.4
388	E	76.1	Confident	82.3	Confident	168 Å²	168	72.5 Å²	72.5	79%	0.785	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	9.7	-178.5	-56.8	-179.6	167.1	0	0	113.4	H386 T390	H386-E388 PolarHBondContact ND1-N 2.94Å; H386-E388 PolarHBondContact O-N 3.33Å; E388-T390 PolarHBondContact O-N 2.94Å
389	A	70.3	Confident	82.2	Confident	22 Å²	22	77 Å²	77	18%	0.182	41%	0.407	C	S	.	.			trans	-65.7	135.1	178.8	0	0	0	0	0	111.2	Y384 H386 D393 L394	Y384-A389 HydrophobicContact CD1-CB 4.12Å; H386-A389 HydrophobicContact CB-CB 4.19Å; H386-A389 VanDerWaalsContact O-CB 3.32Å; H386-A389 WeakPolarHBondContact O-CB 3.5Å; H386-A389 PolarHBondContact O-N 3.39Å; A389-D393 HydrophobicContact CB-CB 4.26Å; A389-L394 HydrophobicContact CB-CD2 3.89Å; A389-L394 HydrophobicContact CB-CG 4.43Å
390	T	68.4	Low	82.2	Confident	78 Å²	78	76.4 Å²	76.4	48%	0.479	40%	0.401	S	S	.	.			trans	-77.3	159	173.2	70.3	0	0	0	0	110.8	E388 K392 D393 L394	E388-T390 PolarHBondContact O-N 2.94Å; T390-K392 PolarHBondContact O-N 3.26Å; T390-D393 PolarHBondContact N-OD2 2.99Å; T390-D393 WeakPolarHBondContact O-CA 3.33Å; T390-D393 PolarHBondContact O-N 3.08Å; T390-D393 PolarHBondContact OG1-OD2 2.72Å; T390-L394 WeakPolarHBondContact O-CG 3.23Å; T390-L394 PolarHBondContact O-N 2.76Å; T390-L394 VanDerWaalsContact O-N 3.14Å
391	E	66.9	Low	82.1	Confident	176 Å²	176	79.3 Å²	79.3	82%	0.822	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.7	176.4	-84	-171.7	164.4	0	0	113.8	L394	E391-L394 PolarHBondContact O-N 2.86Å
392	K	60.5	Low	82.1	Confident	188 Å²	188	79.7 Å²	79.7	82%	0.817	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.2	176.1	-82.9	-174.8	174.1	179.7	0	113.6	T390 L394	T390-K392 PolarHBondContact O-N 3.26Å; K392-L394 VanDerWaalsContact C-N 3.33Å
393	D	62.9	Low	82.1	Confident	51 Å²	51	83.2 Å²	83.2	27%	0.273	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.5	176.4	-59.5	-50.8	0	0	0	112	Y384 A389 T390	Y384-D393 WeakPolarHBondContact CB-O 3.33Å; A389-D393 HydrophobicContact CB-CB 4.26Å; T390-D393 PolarHBondContact N-OD2 2.99Å; T390-D393 WeakPolarHBondContact O-CA 3.33Å; T390-D393 PolarHBondContact O-N 3.08Å; T390-D393 PolarHBondContact OG1-OD2 2.72Å
394	L	71.2	Confident	82	Confident	67 Å²	67	84.4 Å²	84.4	35%	0.351	45%	0.449	S	S	.	.	S	Bend	trans	-75.1	-22	-176.1	-72	177	0	0	0	114.1	S383 Y384 A389 T390 E391 K392	S383-L394 WeakPolarHBondContact CA-O 3.46Å; S383-L394 WeakPolarHBondContact CB-O 3.35Å; S383-L394 PolarHBondContact OG-O 2.8Å; Y384-L394 WeakPolarHBondContact O-CD2 3.15Å; A389-L394 HydrophobicContact CB-CD2 3.89Å; A389-L394 HydrophobicContact CB-CG 4.43Å; T390-L394 WeakPolarHBondContact O-CG 3.23Å; T390-L394 PolarHBondContact O-N 2.76Å; T390-L394 VanDerWaalsContact O-N 3.14Å; E391-L394 PolarHBondContact O-N 2.86Å; K392-L394 VanDerWaalsContact C-N 3.33Å
395	K	77.9	Confident	82	Confident	141 Å²	141	86.1 Å²	86.1	61%	0.613	46%	0.46	S	S	*	.			trans	-131.5	118.1	-179.4	-68.8	-175.1	-179.8	-177.3	0	110.8	L381 L382	L381-K395 HydrophobicContact CD1-CB 4.2Å; L381-K395 HydrophobicContact CD1-CD 4.13Å; L381-K395 HydrophobicContact CD1-CG 4.09Å; L381-K395 HydrophobicContact CD2-CD 4.43Å; L382-K395 WeakPolarHBondContact O-CA 3.46Å
396	M	82.8	Confident	82.1	Confident	21 Å²	21	82.2 Å²	82.2	10%	0.103	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-109.9	147.9	176.7	-72.1	-178.3	36.7	0	0	111.6	L382 I413 Y420	L382-M396 HydrophobicContact CB-CB 4.33Å; L382-M396 HydrophobicContact CD2-CB 4.37Å; L382-M396 HydrophobicContact CD2-CE 3.82Å; L382-M396 HydrophobicContact CD2-SD 4.31Å; L382-M396 PolarHBondContact O-N 2.88Å; M396-I413 VanDerWaalsContact CE-C 3.44Å; M396-I413 WeakPolarHBondContact CE-O 3.3Å; M396-Y420 HydrophobicContact SD-CD1 4.48Å; M396-Y420 HydrophobicContact SD-CE1 3.67Å
397	P	86.1	Confident	82.8	Confident	96 Å²	96	78.8 Å²	78.8	62%	0.623	43%	0.425	S	S	*	.			trans	-65.2	143.4	172.1	29.4	-34.2	0	0	0	110.5
398	V	94.4	Very high	83.8	Confident	19 Å²	19	72.7 Å²	72.7	12%	0.115	39%	0.385	C	S	.	.			trans	-126.5	121.6	170.6	-175.9	0	0	0	0	106.3	A380 L382 L410 T411 M422	A380-V398 HydrophobicContact CB-CB 3.93Å; A380-V398 HydrophobicContact CB-CG1 3.65Å; A380-V398 HydrophobicContact CB-CG2 4.32Å; L382-V398 HydrophobicContact CB-CG2 3.48Å; L382-V398 VanDerWaalsContact CB-CG2 3.48Å; V398-L410 HydrophobicContact CG1-CB 3.89Å; V398-T411 CarbonylContact C-O 3.5Å; V398-T411 WeakPolarHBondContact CA-O 3.29Å; V398-T411 WeakPolarHBondContact CG1-O 3.14Å; V398-M422 HydrophobicContact CG1-CE 3.92Å; V398-M422 HydrophobicContact CG2-CE 3.84Å
399	D	94.1	Very high	84.7	Confident	107 Å²	107	68 Å²	68	57%	0.572	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	131.1	177.8	-61.6	-48.4	0	0	0	108.8	L410 T411	D399-L410 CarbonylContact O-C 3.56Å; D399-T411 PolarHBondContact N-O 2.78Å; D399-T411 PolarHBondContact O-N 3.13Å; D399-T411 PolarHBondContact O-OG1 3.19Å
400	V	95.7	Very high	86	Confident	55 Å²	55	66.9 Å²	66.9	33%	0.333	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.9	-177.5	-179.4	0	0	0	0	108.7	V378 Y408 L410	V378-V400 HydrophobicContact CB-CG1 3.9Å; V378-V400 HydrophobicContact CG1-CG1 3.99Å; V400-Y408 HydrophobicContact CG1-CD1 4.17Å; V400-L410 HydrophobicContact CB-CD2 4.29Å; V400-L410 HydrophobicContact CG1-CD2 3.95Å; V400-L410 HydrophobicContact CG2-CD2 3.8Å
401	I	94.1	Very high	87.2	Confident	82 Å²	82	63.7 Å²	63.7	42%	0.421	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	176.5	-55.5	172.7	0	0	0	107.8	Y408 E409 T411	I401-Y408 CarbonylContact O-C 3.58Å; I401-Y408 WeakPolarHBondContact O-CA 3.11Å; I401-E409 HydrophobicContact CB-CB 4.28Å; I401-E409 PolarHBondContact N-O 3.33Å; I401-E409 PolarHBondContact O-N 2.79Å; I401-T411 HydrophobicContact CD1-CG2 3.9Å
402	D	93	Very high	88.4	Confident	67 Å²	67	55.5 Å²	55.5	36%	0.358	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.9	174.5	-177.1	-0.3	0	0	0	109.7	G374 G375 G404 Y408	G374-D402 WeakPolarHBondContact CA-OD1 3.21Å; G374-D402 WeakPolarHBondContact CA-OD2 3.49Å; G375-D402 PolarHBondContact N-OD2 2.89Å; D402-G404 PolarHBondContact O-N 2.84Å; D402-G404 WeakPolarHBondContact OD1-CA 3.25Å; D402-G404 PolarHBondContact OD1-N 2.86Å; D402-Y408 HydrophobicContact CB-CD1 3.82Å; D402-Y408 HydrophobicContact CB-CE1 3.76Å; D402-Y408 VanDerWaalsContact CG-CE1 3.45Å
403	N	93.8	Very high	89.8	Confident	73 Å²	73	49.8 Å²	49.8	39%	0.39	27%	0.273	S	S	.	.			trans	-78.3	-2.7	178.3	-63.1	-30.9	0	0	0	112.4	D405 T407	N403-D405 PolarHBondContact O-N 2.9Å; N403-D405 VanDerWaalsContact O-N 3.15Å; N403-T407 WeakPolarHBondContact CB-O 3.4Å; N403-T407 PolarHBondContact N-O 2.75Å; N403-T407 VanDerWaalsContact N-O 3.09Å; N403-T407 PolarHBondContact ND2-OG1 3.21Å
404	G	89.9	Confident	91.1	Very high	44 Å²	44	47.3 Å²	47.3	45%	0.454	26%	0.261	S	S	.	.	S	Bend	trans	75.5	-4.2	177.9	0	0	0	0	0	114.2	T373 G374 D402	T373-G404 WeakPolarHBondContact CA-O 3.31Å; G374-G404 PolarHBondContact N-O 3.11Å; D402-G404 PolarHBondContact O-N 2.84Å; D402-G404 WeakPolarHBondContact OD1-CA 3.25Å; D402-G404 PolarHBondContact OD1-N 2.86Å
405	D	92.7	Very high	91.7	Very high	59 Å²	59	51.7 Å²	51.7	32%	0.316	27%	0.272	S	S	.	.	S	Bend	trans	-113.4	11.2	-170.9	81.4	-25.3	0	0	0	113.4	R370 N372 N403 T407	R370-D405 IonicContact CZ-OD2 3.66Å; R370-D405 PolarHBondContact NH1-O 2.77Å; R370-D405 IonicContact NH1-OD2 3.78Å; R370-D405 IonicContact NH2-OD1 3.98Å; R370-D405 IonicContact NH2-OD2 3.14Å; R370-D405 PolarHBondContact NH2-OD2 3.27Å; N372-D405 WeakPolarHBondContact CA-O 3.49Å; N403-D405 PolarHBondContact O-N 2.9Å; N403-D405 VanDerWaalsContact O-N 3.15Å; D405-T407 WeakPolarHBondContact OD1-CB 3.5Å; D405-T407 PolarHBondContact OD1-N 2.94Å; D405-T407 PolarHBondContact OD1-OG1 3.37Å
406	G	92.9	Very high	92.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	90.3	2.3	-173.8	0	0	0	0	0	114.3	T363 T373	T363-G406 WeakPolarHBondContact CB-O 3.2Å; T363-G406 PolarHBondContact N-O 2.82Å; T363-G406 PolarHBondContact OG1-O 2.87Å; T373-G406 WeakPolarHBondContact O-CA 3.44Å
407	T	97.6	Very high	92.5	Very high	11 Å²	11	48 Å²	48	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.3	168.6	66.7	0	0	0	0	111.7	L361 R370 N403 D405	L361-T407 CarbonylContact O-C 3.51Å; L361-T407 WeakPolarHBondContact O-CA 3.3Å; L361-T407 WeakPolarHBondContact O-CB 3.28Å; R370-T407 VanDerWaalsContact NH2-CG2 3.28Å; N403-T407 WeakPolarHBondContact CB-O 3.4Å; N403-T407 PolarHBondContact N-O 2.75Å; N403-T407 VanDerWaalsContact N-O 3.09Å; N403-T407 PolarHBondContact ND2-OG1 3.21Å; D405-T407 WeakPolarHBondContact OD1-CB 3.5Å; D405-T407 PolarHBondContact OD1-N 2.94Å; D405-T407 PolarHBondContact OD1-OG1 3.37Å
408	Y	97.7	Very high	92.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.9	178.4	-55.5	-103.4	0	0	0	109	L361 T363 G374 G375 D376 V378 V400 I401 D402	L361-Y408 HydrophobicContact CD2-CD2 4Å; L361-Y408 HydrophobicContact CD2-CG 4.35Å; L361-Y408 HydrophobicContact CG-CD2 4.34Å; L361-Y408 PolarHBondContact N-O 3.43Å; L361-Y408 PolarHBondContact O-N 3.25Å; T363-Y408 HydrophobicContact CG2-CD2 3.82Å; T363-Y408 HydrophobicContact CG2-CE2 3.51Å; G374-Y408 WeakPolarHBondContact CA-OH 3.48Å; G375-Y408 PolarHBondContact N-OH 3.31Å; D376-Y408 HydrophobicContact CB-CE2 4.45Å; D376-Y408 WeakPolarHBondContact CB-OH 3.41Å; D376-Y408 PolarHBondContact N-OH 2.64Å; D376-Y408 PolarHBondContact OD2-OH 3.03Å; V378-Y408 HydrophobicContact CB-CD1 4.35Å; V378-Y408 HydrophobicContact CG2-CD1 3.8Å; V378-Y408 HydrophobicContact CG2-CD2 3.93Å; V378-Y408 HydrophobicContact CG2-CE1 3.83Å; V378-Y408 HydrophobicContact CG2-CE2 3.98Å; V378-Y408 HydrophobicContact CG2-CG 3.87Å; V400-Y408 HydrophobicContact CG1-CD1 4.17Å; I401-Y408 CarbonylContact O-C 3.58Å; I401-Y408 WeakPolarHBondContact O-CA 3.11Å; D402-Y408 HydrophobicContact CB-CD1 3.82Å; D402-Y408 HydrophobicContact CB-CE1 3.76Å; D402-Y408 VanDerWaalsContact CG-CE1 3.45Å
409	E	96.5	Very high	92.7	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.3	174.7	-164.2	166.4	-165.3	0	0	109.9	S358 I401 T411	S358-E409 WeakPolarHBondContact CB-OE1 3.4Å; S358-E409 PolarHBondContact OG-OE1 3.4Å; I401-E409 HydrophobicContact CB-CB 4.28Å; I401-E409 PolarHBondContact N-O 3.33Å; I401-E409 PolarHBondContact O-N 2.79Å; E409-T411 HydrophobicContact CG-CG2 3.89Å
410	L	97.4	Very high	92.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	100.1	-179.4	-46	176.1	0	0	0	108.4	S358 V359 L361 V378 A380 V398 D399 V400 M422 V424	S358-L410 CarbonylContact C-O 3.54Å; S358-L410 VanDerWaalsContact CA-O 3.3Å; S358-L410 WeakPolarHBondContact CA-O 3.44Å; V359-L410 HydrophobicContact CB-CB 4.19Å; V359-L410 HydrophobicContact CB-CD1 4.36Å; V359-L410 HydrophobicContact CG1-CD1 4.31Å; V359-L410 PolarHBondContact N-O 2.87Å; V359-L410 PolarHBondContact O-N 2.94Å; L361-L410 HydrophobicContact CB-CD1 4.39Å; L361-L410 HydrophobicContact CB-CG 4.5Å; V378-L410 HydrophobicContact CG1-CD2 3.88Å; A380-L410 HydrophobicContact CB-CD1 4.13Å; A380-L410 HydrophobicContact CB-CD2 4.31Å; V398-L410 HydrophobicContact CG1-CB 3.89Å; D399-L410 CarbonylContact O-C 3.56Å; V400-L410 HydrophobicContact CB-CD2 4.29Å; V400-L410 HydrophobicContact CG1-CD2 3.95Å; V400-L410 HydrophobicContact CG2-CD2 3.8Å; L410-M422 HydrophobicContact CB-SD 4.39Å; L410-M422 HydrophobicContact CD1-SD 4.14Å; L410-V424 HydrophobicContact CD1-CB 4.42Å; L410-V424 HydrophobicContact CD1-CG1 3.88Å; L410-V424 HydrophobicContact CD1-CG2 3.59Å
411	T	93.4	Very high	92.7	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.2	-172.1	66.6	0	0	0	0	112.4	C357 V398 D399 I401 E409	C357-T411 CarbonylContact O-C 3.58Å; C357-T411 VanDerWaalsContact O-CA 3.28Å; C357-T411 WeakPolarHBondContact O-CA 3.35Å; V398-T411 CarbonylContact C-O 3.5Å; V398-T411 WeakPolarHBondContact CA-O 3.29Å; V398-T411 WeakPolarHBondContact CG1-O 3.14Å; D399-T411 PolarHBondContact N-O 2.78Å; D399-T411 PolarHBondContact O-N 3.13Å; D399-T411 PolarHBondContact O-OG1 3.19Å; I401-T411 HydrophobicContact CD1-CG2 3.9Å; E409-T411 HydrophobicContact CG-CG2 3.89Å
412	Y	92.8	Very high	92.8	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.1	-177.6	61.7	-80.1	0	0	0	110.9	A351 C357 V359 L382 P414 M422 I438	A351-Y412 WeakPolarHBondContact CB-OH 3.46Å; C357-Y412 HydrophobicContact CB-CD1 4.33Å; C357-Y412 HydrophobicContact CB-CD2 4.11Å; C357-Y412 HydrophobicContact CB-CE1 3.79Å; C357-Y412 HydrophobicContact CB-CE2 3.58Å; C357-Y412 HydrophobicContact CB-CG 4.46Å; C357-Y412 PolarHBondContact N-O 2.85Å; C357-Y412 WeakPolarHBondContact O-CD1 3.42Å; C357-Y412 PolarHBondContact O-N 2.94Å; V359-Y412 HydrophobicContact CG2-CE1 3.97Å; L382-Y412 HydrophobicContact CD2-CD2 3.25Å; L382-Y412 HydrophobicContact CD2-CE2 3.96Å; L382-Y412 HydrophobicContact CD2-CG 3.6Å; Y412-P414 HydrophobicContact CD2-CB 4.46Å; Y412-P414 HydrophobicContact CD2-CG 4.33Å; Y412-P414 HydrophobicContact CE2-CB 4.48Å; Y412-P414 HydrophobicContact CE2-CG 4.17Å; Y412-M422 HydrophobicContact CD1-CE 3.52Å; Y412-M422 HydrophobicContact CE1-CE 3.82Å; Y412-M422 HydrophobicContact CG-CE 4.12Å; Y412-I438 HydrophobicContact CE1-CD1 4.2Å; Y412-I438 HydrophobicContact CE2-CD1 4.42Å; Y412-I438 WeakPolarHBondContact OH-CG2 3.36Å
413	I	89.6	Confident	93	Very high	68 Å²	68	39.5 Å²	39.5	35%	0.349	20%	0.204	S	C	.	.			trans	-123.3	95.2	178.1	-57.1	177.2	0	0	0	109.5	L356 M396 R415	L356-I413 HydrophobicContact CD1-CD1 4.26Å; L356-I413 HydrophobicContact CD1-CG1 3.85Å; M396-I413 VanDerWaalsContact CE-C 3.44Å; M396-I413 WeakPolarHBondContact CE-O 3.3Å; I413-R415 PolarHBondContact O-N 3.35Å
414	P	90	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.			trans	-68.6	126.6	-176.9	29.5	-32.8	0	0	0	111.2	T352 N354 L355 Y412 Y420 V440	T352-P414 WeakPolarHBondContact O-CG 3.2Å; N354-P414 PolarHBondContact N-O 2.8Å; L355-P414 WeakPolarHBondContact O-CD 3.19Å; Y412-P414 HydrophobicContact CD2-CB 4.46Å; Y412-P414 HydrophobicContact CD2-CG 4.33Å; Y412-P414 HydrophobicContact CE2-CB 4.48Å; Y412-P414 HydrophobicContact CE2-CG 4.17Å; P414-Y420 HydrophobicContact CB-CE1 4.32Å; P414-Y420 HydrophobicContact CB-CE2 4.02Å; P414-V440 HydrophobicContact CB-CB 4.42Å; P414-V440 HydrophobicContact CB-CG1 3.85Å; P414-V440 HydrophobicContact CB-CG2 3.8Å; P414-V440 HydrophobicContact CG-CB 4.46Å; P414-V440 HydrophobicContact CG-CG1 3.62Å; P414-V440 HydrophobicContact CG-CG2 3.93Å
415	R	84.3	Confident	93.4	Very high	158 Å²	158	35 Å²	35	60%	0.596	17%	0.171	S	C	*	.	S	Bend	trans	-78.4	-30.9	-177.2	-65.4	-177	-177	-178.3	1	113.3	K353 I413	K353-R415 WeakPolarHBondContact CE-O 3.46Å; K353-R415 WeakPolarHBondContact CG-O 3.43Å; I413-R415 PolarHBondContact O-N 3.35Å
416	N	88.2	Confident	93.5	Very high	56 Å²	56	32.2 Å²	32.2	30%	0.299	16%	0.156	S	C	.	.	S	Bend	trans	-121.3	152.2	-176.5	-62	-45.2	0	0	0	110.7	Y384 Y420	Y384-N416 HydrophobicContact CE1-CB 3.79Å; Y384-N416 HydrophobicContact CE2-CB 4.04Å; Y384-N416 WeakPolarHBondContact OH-CB 3.09Å; N416-Y420 PolarHBondContact N-OH 3.38Å; N416-Y420 VanDerWaalsContact O-CE2 3.28Å; N416-Y420 WeakPolarHBondContact O-CE2 3.02Å; N416-Y420 PolarHBondContact O-OH 3.02Å
417	A	89	Confident	93.3	Very high	30 Å²	30	35.9 Å²	35.9	25%	0.248	17%	0.172	C	C	.	.	S	Bend	trans	-76.9	158.4	169.1	0	0	0	0	0	110.7	Y384 V440 P442	Y384-A417 PolarHBondContact OH-O 3.06Å; A417-V440 WeakPolarHBondContact CA-O 3.21Å; A417-V440 WeakPolarHBondContact CB-O 3.23Å; A417-P442 HydrophobicContact CB-CB 3.72Å; A417-P442 HydrophobicContact CB-CG 4.42Å
418	G	91.6	Very high	92.7	Very high	20 Å²	20	42.3 Å²	42.3	21%	0.206	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.4	-161.9	-178.6	0	0	0	0	0	113.2	Y420 V440	G418-Y420 WeakPolarHBondContact O-CD2 3.5Å; G418-V440 PolarHBondContact N-O 2.97Å; G418-V440 WeakPolarHBondContact O-CB 3.41Å; G418-V440 PolarHBondContact O-N 3.14Å
419	F	93.6	Very high	92.4	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.539	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.8	-167.4	-61.8	-78.4	0	0	0	113.2	Y384 L385 I438 D439	Y384-F419 WeakPolarHBondContact CD2-O 3.48Å; L385-F419 WeakPolarHBondContact CA-O 3.46Å; L385-F419 HydrophobicContact CB-CB 4.33Å; L385-F419 WeakPolarHBondContact CB-O 3.41Å; L385-F419 HydrophobicContact CD1-CB 4.49Å; L385-F419 PolarHBondContact N-O 3.39Å; F419-I438 CarbonylContact C-O 3.53Å; F419-I438 WeakPolarHBondContact CA-O 3.29Å; F419-D439 HydrophobicContact CD1-CB 4.09Å; F419-D439 HydrophobicContact CE1-CB 3.89Å
420	Y	94.5	Very high	92.2	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.2	173	-68.7	-109	0	0	0	110.7	L382 S383 Y384 M396 P414 N416 G418 F437 I438 V440	L382-Y420 HydrophobicContact CD1-CD1 4.16Å; L382-Y420 HydrophobicContact CD1-CG 4.31Å; L382-Y420 HydrophobicContact CD2-CD1 4.12Å; L382-Y420 HydrophobicContact CG-CD1 3.92Å; S383-Y420 CarbonylContact O-C 3.52Å; S383-Y420 VanDerWaalsContact O-CA 3.23Å; S383-Y420 WeakPolarHBondContact O-CA 3.42Å; S383-Y420 WeakPolarHBondContact O-CB 3.17Å; Y384-Y420 AromaticContact CD2-CD1 3.96Å; Y384-Y420 HydrophobicContact CD2-CD1 3.96Å; Y384-Y420 AromaticContact CD2-CD2 3.8Å; Y384-Y420 HydrophobicContact CD2-CD2 3.8Å; Y384-Y420 AromaticContact CD2-CE1 3.56Å; Y384-Y420 HydrophobicContact CD2-CE1 3.56Å; Y384-Y420 AromaticContact CD2-CE2 3.37Å; Y384-Y420 HydrophobicContact CD2-CE2 3.37Å; Y384-Y420 HydrophobicContact CD2-CG 4.08Å; Y384-Y420 AromaticContact CD2-CZ 3.25Å; Y384-Y420 HydrophobicContact CE2-CD2 4.29Å; Y384-Y420 AromaticContact CE2-CE2 3.66Å; Y384-Y420 HydrophobicContact CE2-CE2 3.66Å; Y384-Y420 AromaticContact CE2-CZ 3.82Å; Y384-Y420 HydrophobicContact CG-CD1 4.37Å; Y384-Y420 AromaticContact CG-CE1 3.85Å; Y384-Y420 HydrophobicContact CG-CE1 3.85Å; Y384-Y420 HydrophobicContact CG-CE2 4.41Å; Y384-Y420 AromaticContact CG-CZ 3.88Å; M396-Y420 HydrophobicContact SD-CD1 4.48Å; M396-Y420 HydrophobicContact SD-CE1 3.67Å; P414-Y420 HydrophobicContact CB-CE1 4.32Å; P414-Y420 HydrophobicContact CB-CE2 4.02Å; N416-Y420 PolarHBondContact N-OH 3.38Å; N416-Y420 VanDerWaalsContact O-CE2 3.28Å; N416-Y420 WeakPolarHBondContact O-CE2 3.02Å; N416-Y420 PolarHBondContact O-OH 3.02Å; G418-Y420 WeakPolarHBondContact O-CD2 3.5Å; Y420-F437 CarbonylContact O-C 3.59Å; Y420-F437 WeakPolarHBondContact O-CA 3.43Å; Y420-I438 PolarHBondContact N-O 2.67Å; Y420-I438 PolarHBondContact O-N 3.45Å; Y420-V440 HydrophobicContact CD2-CB 4.17Å; Y420-V440 HydrophobicContact CD2-CG2 3.38Å; Y420-V440 HydrophobicContact CE2-CB 3.92Å; Y420-V440 HydrophobicContact CE2-CG2 3.46Å; Y420-V440 VanDerWaalsContact CE2-CG2 3.46Å; Y420-V440 HydrophobicContact CG-CG2 4.37Å
421	R	94.8	Very high	92.2	Very high	73 Å²	73	53 Å²	53	28%	0.275	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.1	173.7	-176.6	177.3	173.8	-99.6	-7.6	109	S383 L385 E423 P435 L436 F437	S383-R421 PolarHBondContact N-O 2.83Å; S383-R421 PolarHBondContact O-N 3.06Å; L385-R421 HydrophobicContact CD1-CB 4.04Å; L385-R421 HydrophobicContact CD2-CB 3.99Å; L385-R421 HydrophobicContact CG-CB 4.07Å; R421-E423 VanDerWaalsContact CZ-CD 3.41Å; R421-E423 IonicContact CZ-OE1 2.7Å; R421-E423 IonicContact CZ-OE2 2.63Å; R421-E423 IonicContact NH1-OE1 3.87Å; R421-E423 PolarHBondContact NH1-OE1 3.21Å; R421-E423 IonicContact NH1-OE2 3.48Å; R421-E423 PolarHBondContact NH1-OE2 3.25Å; R421-E423 IonicContact NH2-OE1 2.75Å; R421-E423 PolarHBondContact NH2-OE1 2.82Å; R421-E423 IonicContact NH2-OE2 2.79Å; R421-P435 HydrophobicContact CG-CB 3.7Å; R421-P435 HydrophobicContact CG-CG 4.32Å; R421-L436 CarbonylContact C-O 3.59Å; R421-L436 WeakPolarHBondContact CA-O 3.07Å; R421-F437 HydrophobicContact CB-CE1 4.42Å; R421-F437 HydrophobicContact CG-CE1 4.2Å
422	M	96.7	Very high	92.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.2	173.8	-173.2	177.5	-79.6	0	0	110.6	V359 A380 L381 L382 V398 L410 Y412 V424 P435 L436 I438	V359-M422 HydrophobicContact CB-SD 4.3Å; V359-M422 HydrophobicContact CG2-CE 4.2Å; V359-M422 HydrophobicContact CG2-SD 3.86Å; A380-M422 HydrophobicContact CB-SD 4.39Å; L381-M422 CarbonylContact O-C 3.52Å; L381-M422 WeakPolarHBondContact O-CA 3.4Å; L382-M422 HydrophobicContact CB-CE 4.24Å; L382-M422 HydrophobicContact CD1-CB 3.85Å; L382-M422 HydrophobicContact CD1-CE 3.94Å; L382-M422 HydrophobicContact CD1-CG 4.46Å; L382-M422 HydrophobicContact CD2-CE 4.5Å; L382-M422 HydrophobicContact CG-CE 4.47Å; V398-M422 HydrophobicContact CG1-CE 3.92Å; V398-M422 HydrophobicContact CG2-CE 3.84Å; L410-M422 HydrophobicContact CB-SD 4.39Å; L410-M422 HydrophobicContact CD1-SD 4.14Å; Y412-M422 HydrophobicContact CD1-CE 3.52Å; Y412-M422 HydrophobicContact CE1-CE 3.82Å; Y412-M422 HydrophobicContact CG-CE 4.12Å; M422-V424 HydrophobicContact CG-CG2 3.97Å; M422-V424 HydrophobicContact SD-CG2 4.12Å; M422-P435 CarbonylContact O-C 3.57Å; M422-P435 VanDerWaalsContact O-CA 3.26Å; M422-P435 WeakPolarHBondContact O-CA 3.43Å; M422-L436 HydrophobicContact CB-CB 4.27Å; M422-L436 PolarHBondContact N-O 2.68Å; M422-L436 PolarHBondContact O-N 3.01Å; M422-L436 HydrophobicContact SD-CD1 4.44Å; M422-I438 HydrophobicContact CB-CD1 4.03Å; M422-I438 HydrophobicContact CE-CD1 4.18Å
423	E	96	Very high	92.6	Very high	30 Å²	30	62 Å²	62	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.5	173.4	-78	-177.6	113.4	0	0	109.7	A380 L381 R421 Y430 P435	A380-E423 CarbonylContact C-O 3.58Å; A380-E423 VanDerWaalsContact CA-O 3.23Å; A380-E423 WeakPolarHBondContact CA-O 3.41Å; L381-E423 HydrophobicContact CB-CB 4.46Å; L381-E423 PolarHBondContact N-O 3.22Å; L381-E423 PolarHBondContact O-N 3.05Å; R421-E423 VanDerWaalsContact CZ-CD 3.41Å; R421-E423 IonicContact CZ-OE1 2.7Å; R421-E423 IonicContact CZ-OE2 2.63Å; R421-E423 IonicContact NH1-OE1 3.87Å; R421-E423 PolarHBondContact NH1-OE1 3.21Å; R421-E423 IonicContact NH1-OE2 3.48Å; R421-E423 PolarHBondContact NH1-OE2 3.25Å; R421-E423 IonicContact NH2-OE1 2.75Å; R421-E423 PolarHBondContact NH2-OE1 2.82Å; R421-E423 IonicContact NH2-OE2 2.79Å; E423-Y430 HydrophobicContact CB-CE1 4.02Å; E423-Y430 HydrophobicContact CG-CE1 4.1Å; E423-Y430 PolarHBondContact OE1-OH 2.84Å; E423-P435 HydrophobicContact CG-CB 4Å
424	V	97.6	Very high	92.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.7	-177.6	-174.8	0	0	0	0	109.7	L361 V378 A380 L410 M422 Y430 I431 S434 L436	L361-V424 HydrophobicContact CD2-CG1 4.22Å; V378-V424 HydrophobicContact CG1-CG1 4.36Å; A380-V424 HydrophobicContact CB-CG2 4.28Å; L410-V424 HydrophobicContact CD1-CB 4.42Å; L410-V424 HydrophobicContact CD1-CG1 3.88Å; L410-V424 HydrophobicContact CD1-CG2 3.59Å; M422-V424 HydrophobicContact CG-CG2 3.97Å; M422-V424 HydrophobicContact SD-CG2 4.12Å; V424-Y430 WeakPolarHBondContact O-CA 3.31Å; V424-I431 HydrophobicContact CB-CD1 3.73Å; V424-I431 HydrophobicContact CB-CG1 4Å; V424-I431 HydrophobicContact CG1-CD1 3.9Å; V424-I431 HydrophobicContact CG1-CG1 4.35Å; V424-I431 HydrophobicContact CG1-CG2 4.24Å; V424-I431 HydrophobicContact CG2-CD1 4.39Å; V424-I431 PolarHBondContact O-N 2.95Å; V424-S434 PolarHBondContact N-OG 2.83Å; V424-S434 VanDerWaalsContact N-OG 3.13Å; V424-L436 HydrophobicContact CG2-CD1 4.19Å
425	T	95.6	Very high	93.2	Very high	23 Å²	23	61.8 Å²	61.8	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.3	-178.7	57.8	0	0	0	0	111.1	V378 C379 R429 Y430	V378-T425 WeakPolarHBondContact CA-O 3.45Å; C379-T425 PolarHBondContact N-O 2.68Å; C379-T425 PolarHBondContact O-N 2.96Å; C379-T425 PolarHBondContact O-OG1 2.8Å; T425-R429 CarbonylContact C-O 3.57Å; T425-R429 WeakPolarHBondContact CA-O 3.36Å; T425-Y430 HydrophobicContact CG2-CD1 3.61Å; T425-Y430 HydrophobicContact CG2-CE1 3.83Å; T425-Y430 HydrophobicContact CG2-CG 4.07Å
426	I	94	Very high	93.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.8	171	-44.7	179.2	0	0	0	106.2	T339 P341 C344 L361 T363 D376 V378 D428 R429 I431	T339-I426 HydrophobicContact CG2-CD1 4.04Å; T339-I426 HydrophobicContact CG2-CG2 4.33Å; P341-I426 HydrophobicContact CB-CB 4.06Å; P341-I426 HydrophobicContact CG-CB 3.9Å; P341-I426 HydrophobicContact CG-CG2 4.47Å; P341-I426 VanDerWaalsContact CG-O 3.24Å; P341-I426 WeakPolarHBondContact CG-O 3.43Å; C344-I426 HydrophobicContact CB-CD1 4.08Å; L361-I426 HydrophobicContact CD2-CD1 4.04Å; L361-I426 HydrophobicContact CD2-CG1 4.36Å; T363-I426 HydrophobicContact CG2-CD1 3.74Å; D376-I426 HydrophobicContact CB-CG2 3.75Å; V378-I426 HydrophobicContact CG2-CD1 4.46Å; V378-I426 HydrophobicContact CG2-CG1 4.13Å; V378-I426 HydrophobicContact CG2-CG2 4.35Å; I426-D428 VanDerWaalsContact C-N 3.28Å; I426-D428 PolarHBondContact O-N 2.82Å; I426-R429 PolarHBondContact N-O 3.48Å; I426-R429 PolarHBondContact O-N 2.96Å; I426-R429 VanDerWaalsContact O-N 3.1Å; I426-I431 HydrophobicContact CD1-CG2 3.84Å; I426-I431 HydrophobicContact CG1-CG2 3.8Å
427	F	88	Confident	94.2	Very high	77 Å²	77	58.7 Å²	58.7	34%	0.338	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	41.5	-171.3	-45.5	-71.9	0	0	0	113	P341 D376 P377 R429	P341-F427 HydrophobicContact CG-CD2 4Å; D376-F427 HydrophobicContact CB-CZ 4.29Å; P377-F427 HydrophobicContact CG-CD1 3.29Å; P377-F427 HydrophobicContact CG-CE1 3.46Å; P377-F427 VanDerWaalsContact CG-CE1 3.46Å; P377-F427 HydrophobicContact CG-CG 4.14Å; P377-F427 HydrophobicContact CG-CZ 4.39Å; P377-F427 PolarHBondContact O-N 3Å; F427-R429 PolarHBondContact O-N 3.18Å; F427-R429 VanDerWaalsContact O-N 3.08Å
428	D	85.9	Confident	94.5	Very high	146 Å²	146	57.3 Å²	57.3	78%	0.781	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	19.5	-176.2	-54	-46.4	0	0	0	114.7	I426	I426-D428 VanDerWaalsContact C-N 3.28Å; I426-D428 PolarHBondContact O-N 2.82Å
429	R	90.1	Very high	94.6	Very high	168 Å²	168	61.4 Å²	61.4	63%	0.634	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.4	176	-63.3	176	-173.4	-176.3	1.4	110.2	P341 T425 I426 F427	P341-R429 HydrophobicContact CB-CB 4.07Å; P341-R429 HydrophobicContact CG-CB 4.1Å; T425-R429 CarbonylContact C-O 3.57Å; T425-R429 WeakPolarHBondContact CA-O 3.36Å; I426-R429 PolarHBondContact N-O 3.48Å; I426-R429 PolarHBondContact O-N 2.96Å; I426-R429 VanDerWaalsContact O-N 3.1Å; F427-R429 PolarHBondContact O-N 3.18Å; F427-R429 VanDerWaalsContact O-N 3.08Å
430	Y	94.3	Very high	94.5	Very high	122 Å²	122	55.5 Å²	55.5	48%	0.478	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.1	179.6	-69.6	-76.3	0	0	0	112.7	E423 V424 T425 S434	E423-Y430 HydrophobicContact CB-CE1 4.02Å; E423-Y430 HydrophobicContact CG-CE1 4.1Å; E423-Y430 PolarHBondContact OE1-OH 2.84Å; V424-Y430 WeakPolarHBondContact O-CA 3.31Å; T425-Y430 HydrophobicContact CG2-CD1 3.61Å; T425-Y430 HydrophobicContact CG2-CE1 3.83Å; T425-Y430 HydrophobicContact CG2-CG 4.07Å; Y430-S434 VanDerWaalsContact CD1-OG 3.31Å; Y430-S434 WeakPolarHBondContact CD1-OG 3.4Å
431	I	97.4	Very high	94.2	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	27%	0.268	C	S	.	.			trans	-74.5	166.1	169.5	67.7	169.8	0	0	0	111.8	P341 C344 A346 L361 V424 I426 N433 S434	P341-I431 VanDerWaalsContact O-CA 3.25Å; P341-I431 WeakPolarHBondContact O-CA 3.45Å; C344-I431 HydrophobicContact CB-CB 4.29Å; C344-I431 HydrophobicContact CB-CG2 4Å; A346-I431 HydrophobicContact CB-CD1 3.48Å; A346-I431 VanDerWaalsContact CB-CD1 3.48Å; L361-I431 HydrophobicContact CD1-CD1 3.89Å; L361-I431 HydrophobicContact CD1-CG2 4.14Å; V424-I431 HydrophobicContact CB-CD1 3.73Å; V424-I431 HydrophobicContact CB-CG1 4Å; V424-I431 HydrophobicContact CG1-CD1 3.9Å; V424-I431 HydrophobicContact CG1-CG1 4.35Å; V424-I431 HydrophobicContact CG1-CG2 4.24Å; V424-I431 HydrophobicContact CG2-CD1 4.39Å; V424-I431 PolarHBondContact O-N 2.95Å; I426-I431 HydrophobicContact CD1-CG2 3.84Å; I426-I431 HydrophobicContact CG1-CG2 3.8Å; I431-N433 VanDerWaalsContact C-N 3.31Å; I431-N433 WeakPolarHBondContact CD1-OD1 3.5Å; I431-N433 PolarHBondContact O-N 2.7Å; I431-S434 PolarHBondContact O-N 2.75Å
432	K	96.1	Very high	93.7	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-45.8	-173.3	-170.9	179.7	173.9	-178.2	0	114	M342 C344 V345	M342-K432 WeakPolarHBondContact O-CB 3.46Å; C344-K432 WeakPolarHBondContact O-CB 3.23Å; C344-K432 PolarHBondContact O-N 3.38Å; V345-K432 HydrophobicContact CG1-CB 4.25Å; V345-K432 HydrophobicContact CG1-CD 4.13Å
433	N	96.6	Very high	93	Very high	58 Å²	58	60.5 Å²	60.5	31%	0.31	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.4	-173.2	68	-30.1	0	0	0	113.3	V345 A346 I431 P435 L436	V345-N433 WeakPolarHBondContact CA-OD1 2.95Å; A346-N433 PolarHBondContact N-OD1 2.75Å; A346-N433 VanDerWaalsContact N-OD1 3.11Å; A346-N433 PolarHBondContact O-ND2 2.79Å; I431-N433 VanDerWaalsContact C-N 3.31Å; I431-N433 WeakPolarHBondContact CD1-OD1 3.5Å; I431-N433 PolarHBondContact O-N 2.7Å; N433-P435 CarbonylContact O-C 3.55Å; N433-L436 WeakPolarHBondContact ND2-CD2 3.43Å; N433-L436 WeakPolarHBondContact O-CD2 3.43Å
434	S	96.5	Very high	92.3	Very high	23 Å²	23	59.9 Å²	59.9	16%	0.161	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79	140.2	169.9	177.2	0	0	0	0	110.4	V424 Y430 I431	V424-S434 PolarHBondContact N-OG 2.83Å; V424-S434 VanDerWaalsContact N-OG 3.13Å; Y430-S434 VanDerWaalsContact CD1-OG 3.31Å; Y430-S434 WeakPolarHBondContact CD1-OG 3.4Å; I431-S434 PolarHBondContact O-N 2.75Å
435	P	95.9	Very high	91.6	Very high	42 Å²	42	62.1 Å²	62.1	27%	0.273	30%	0.304	S	S	.	.	S	Bend	cis	-79.1	149	-2.2	33.8	-36.3	0	0	0	112.9	R421 M422 E423 N433 F437	R421-P435 HydrophobicContact CG-CB 3.7Å; R421-P435 HydrophobicContact CG-CG 4.32Å; M422-P435 CarbonylContact O-C 3.57Å; M422-P435 VanDerWaalsContact O-CA 3.26Å; M422-P435 WeakPolarHBondContact O-CA 3.43Å; E423-P435 HydrophobicContact CG-CB 4Å; N433-P435 CarbonylContact O-C 3.55Å; P435-F437 HydrophobicContact CG-CE2 4.24Å; P435-F437 HydrophobicContact CG-CZ 4.21Å
436	L	97.2	Very high	91.1	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.2	170.2	-50.2	168.8	0	0	0	109.6	A346 V348 V359 R421 M422 V424 N433	A346-L436 HydrophobicContact CB-CD1 3.75Å; A346-L436 HydrophobicContact CB-CD2 4.33Å; A346-L436 WeakPolarHBondContact O-CD2 3.36Å; V348-L436 HydrophobicContact CG2-CB 3.88Å; V348-L436 HydrophobicContact CG2-CD1 3.95Å; V348-L436 HydrophobicContact CG2-CD2 4.37Å; V348-L436 HydrophobicContact CG2-CG 4.3Å; V359-L436 HydrophobicContact CG1-CD1 3.51Å; V359-L436 HydrophobicContact CG2-CD1 4.38Å; R421-L436 CarbonylContact C-O 3.59Å; R421-L436 WeakPolarHBondContact CA-O 3.07Å; M422-L436 HydrophobicContact CB-CB 4.27Å; M422-L436 PolarHBondContact N-O 2.68Å; M422-L436 PolarHBondContact O-N 3.01Å; M422-L436 HydrophobicContact SD-CD1 4.44Å; V424-L436 HydrophobicContact CG2-CD1 4.19Å; N433-L436 WeakPolarHBondContact ND2-CD2 3.43Å; N433-L436 WeakPolarHBondContact O-CD2 3.43Å
437	F	96	Very high	90.7	Very high	138 Å²	138	65.9 Å²	65.9	61%	0.605	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	127	172.8	-64.6	-84.3	0	0	0	109.6	L385 Y420 R421 P435	L385-F437 HydrophobicContact CD1-CD1 4.02Å; L385-F437 HydrophobicContact CD1-CE1 4.09Å; Y420-F437 CarbonylContact O-C 3.59Å; Y420-F437 WeakPolarHBondContact O-CA 3.43Å; R421-F437 HydrophobicContact CB-CE1 4.42Å; R421-F437 HydrophobicContact CG-CE1 4.2Å; P435-F437 HydrophobicContact CG-CE2 4.24Å; P435-F437 HydrophobicContact CG-CZ 4.21Å
438	I	95.8	Very high	90.7	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.5	-170.9	-50.7	-177.4	0	0	0	108.4	V348 A351 V359 L382 Y412 F419 Y420 M422 V440	V348-I438 HydrophobicContact CG1-CB 4.27Å; V348-I438 HydrophobicContact CG1-CD1 4.26Å; V348-I438 HydrophobicContact CG1-CG1 3.81Å; V348-I438 HydrophobicContact CG1-CG2 3.95Å; V348-I438 HydrophobicContact CG2-CG1 4.15Å; A351-I438 HydrophobicContact CB-CG2 3.57Å; V359-I438 HydrophobicContact CG2-CD1 4.03Å; L382-I438 HydrophobicContact CD1-CD1 4.05Å; Y412-I438 HydrophobicContact CE1-CD1 4.2Å; Y412-I438 HydrophobicContact CE2-CD1 4.42Å; Y412-I438 WeakPolarHBondContact OH-CG2 3.36Å; F419-I438 CarbonylContact C-O 3.53Å; F419-I438 WeakPolarHBondContact CA-O 3.29Å; Y420-I438 PolarHBondContact N-O 2.67Å; Y420-I438 PolarHBondContact O-N 3.45Å; M422-I438 HydrophobicContact CB-CD1 4.03Å; M422-I438 HydrophobicContact CE-CD1 4.18Å; I438-V440 HydrophobicContact CG2-CG2 4.21Å
439	D	93.5	Very high	90.9	Very high	105 Å²	105	62.8 Å²	62.8	56%	0.561	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.4	172.8	-172.8	11.3	0	0	0	109.8	F419	F419-D439 HydrophobicContact CD1-CB 4.09Å; F419-D439 HydrophobicContact CE1-CB 3.89Å
440	V	91.6	Very high	91	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.3	-176.6	178.4	0	0	0	0	109.9	A351 K353 P414 A417 G418 Y420 I438	A351-V440 HydrophobicContact CB-CG2 3.92Å; K353-V440 HydrophobicContact CB-CG1 4.23Å; K353-V440 VanDerWaalsContact N-CG1 3.25Å; P414-V440 HydrophobicContact CB-CB 4.42Å; P414-V440 HydrophobicContact CB-CG1 3.85Å; P414-V440 HydrophobicContact CB-CG2 3.8Å; P414-V440 HydrophobicContact CG-CB 4.46Å; P414-V440 HydrophobicContact CG-CG1 3.62Å; P414-V440 HydrophobicContact CG-CG2 3.93Å; A417-V440 WeakPolarHBondContact CA-O 3.21Å; A417-V440 WeakPolarHBondContact CB-O 3.23Å; G418-V440 PolarHBondContact N-O 2.97Å; G418-V440 WeakPolarHBondContact O-CB 3.41Å; G418-V440 PolarHBondContact O-N 3.14Å; Y420-V440 HydrophobicContact CD2-CB 4.17Å; Y420-V440 HydrophobicContact CD2-CG2 3.38Å; Y420-V440 HydrophobicContact CE2-CB 3.92Å; Y420-V440 HydrophobicContact CE2-CG2 3.46Å; Y420-V440 VanDerWaalsContact CE2-CG2 3.46Å; Y420-V440 HydrophobicContact CG-CG2 4.37Å; I438-V440 HydrophobicContact CG2-CG2 4.21Å
441	S	88.3	Confident	90.6	Very high	30 Å²	30	51.6 Å²	51.6	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.7	176.9	176.3	0	0	0	0	111.8	A351 K353 H443	A351-S441 PolarHBondContact O-N 3.24Å; K353-S441 PolarHBondContact N-O 2.87Å; S441-H443 PolarHBondContact O-N 2.66Å; S441-H443 PolarHBondContact OG-N 2.91Å; S441-H443 PolarHBondContact OG-O 2.91Å
442	P	84	Confident	89.5	Confident	79 Å²	79	51.8 Å²	51.8	51%	0.513	27%	0.271	S	S	.	.	S	Bend	trans	-72.5	-15.5	168.1	29.9	-33.3	0	0	0	113	A417	A417-P442 HydrophobicContact CB-CB 3.72Å; A417-P442 HydrophobicContact CB-CG 4.42Å
443	H	81.8	Confident	87.7	Confident	70 Å²	70	46.6 Å²	46.6	32%	0.324	25%	0.252	S	S	.	.	S	Bend	trans	-119.6	132.7	-172.7	-58.4	-53.4	0	0	0	111.9	S441 N445 F699	S441-H443 PolarHBondContact O-N 2.66Å; S441-H443 PolarHBondContact OG-N 2.91Å; S441-H443 PolarHBondContact OG-O 2.91Å; H443-N445 PolarHBondContact O-N 3.05Å; H443-N445 VanDerWaalsContact O-N 3.09Å; H443-F699 HydrophobicContact CB-CB 4Å; H443-F699 AromaticContact CD2-CG 3.9Å; H443-F699 AromaticContact NE2-CG 3.87Å
444	N	82.2	Confident	85.6	Confident	16 Å²	16	52.1 Å²	52.1	9%	0.086	28%	0.282	C	S	.	.			trans	-78.4	88.3	172.3	-172.8	3.2	0	0	0	109.9	T352 L355 I696 S698 R731	T352-N444 HydrophobicContact CG2-CB 4.04Å; L355-N444 HydrophobicContact CD1-CB 4.2Å; L355-N444 VanDerWaalsContact CD1-CG 3.5Å; N444-I696 HydrophobicContact CB-CG2 4.29Å; N444-S698 WeakPolarHBondContact O-CA 3.5Å; N444-S698 VanDerWaalsContact O-CB 3.22Å; N444-S698 WeakPolarHBondContact O-CB 3.33Å; N444-S698 PolarHBondContact O-OG 2.83Å; N444-R731 PolarHBondContact ND2-O 3.44Å
445	N	82.1	Confident	83.4	Confident	48 Å²	48	59.9 Å²	59.9	26%	0.257	31%	0.313	S	S	.	.			trans	-80.8	160.1	178.4	-66.1	-45.1	0	0	0	111.2	H443 L447 N700	H443-N445 PolarHBondContact O-N 3.05Å; H443-N445 VanDerWaalsContact O-N 3.09Å; N445-L447 PolarHBondContact O-N 2.82Å; N445-N700 PolarHBondContact OD1-N 2.8Å
446	A	85.7	Confident	81	Confident	28 Å²	28	60.9 Å²	60.9	23%	0.231	33%	0.331	C	S	.	.			trans	-63.6	131.4	176	0	0	0	0	0	110.2	W448 K728 K729 Y730	A446-W448 VanDerWaalsContact C-N 3.27Å; A446-K728 HydrophobicContact CB-CB 4.34Å; A446-K729 CarbonylContact C-O 3.39Å; A446-K729 VanDerWaalsContact CA-O 3.28Å; A446-K729 WeakPolarHBondContact CA-O 3.29Å; A446-Y730 HydrophobicContact CB-CD1 4.09Å; A446-Y730 HydrophobicContact CB-CE1 3.59Å
447	L	85.4	Confident	78.8	Confident	73 Å²	73	67.2 Å²	67.2	38%	0.382	37%	0.365	S	S	.	.	S	Bend	trans	-69.1	-32.2	173.1	-65	179.2	0	0	0	111.3	P350 N445 K729 R731	P350-L447 HydrophobicContact CG-CD2 4.38Å; N445-L447 PolarHBondContact O-N 2.82Å; L447-K729 HydrophobicContact CB-CB 4.47Å; L447-K729 HydrophobicContact CB-CG 4.47Å; L447-K729 PolarHBondContact N-O 3.41Å; L447-R731 HydrophobicContact CD1-CB 4.21Å
448	W	88.4	Confident	76.7	Confident	68 Å²	68	63 Å²	63	26%	0.258	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.2	-178.2	174.9	86.4	0	0	0	109.4	A446 Y450 I478 L491 L718 I727 K728 K729	A446-W448 VanDerWaalsContact C-N 3.27Å; W448-Y450 HydrophobicContact CH2-CG 4.15Å; W448-Y450 VanDerWaalsContact CZ2-CB 3.5Å; W448-Y450 HydrophobicContact CZ2-CD2 4.38Å; W448-Y450 HydrophobicContact CZ2-CG 4.28Å; W448-I478 HydrophobicContact CH2-CD1 3.96Å; W448-I478 HydrophobicContact CZ3-CD1 4.12Å; W448-L491 HydrophobicContact CH2-CD1 4.08Å; W448-L718 HydrophobicContact CE3-CD2 4.27Å; W448-L718 HydrophobicContact CZ3-CD2 4.19Å; W448-I727 HydrophobicContact CZ3-CB 4.41Å; W448-I727 HydrophobicContact CZ3-CG2 4.13Å; W448-K728 WeakPolarHBondContact O-CA 3.37Å; W448-K729 HydrophobicContact CB-CB 4.01Å; W448-K729 HydrophobicContact CE3-CB 4.27Å; W448-K729 PolarHBondContact O-N 2.9Å
449	Q	90.4	Very high	75	Confident	91 Å²	91	71.7 Å²	71.7	43%	0.425	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.1	175.3	176.6	177.1	-44.4	0	0	109.7	S451 S701 C726 I727 K728	Q449-S451 PolarHBondContact NE2-OG 2.83Å; Q449-S701 PolarHBondContact OE1-OG 3.43Å; Q449-C726 HydrophobicContact CG-CB 4.16Å; Q449-I727 CarbonylContact C-O 3.51Å; Q449-I727 VanDerWaalsContact CA-O 3.28Å; Q449-I727 WeakPolarHBondContact CA-O 3.42Å; Q449-K728 HydrophobicContact CB-CG 4.43Å; Q449-K728 HydrophobicContact CG-CG 4.06Å
450	Y	91.6	Very high	74.2	Confident	21 Å²	21	71 Å²	71	8%	0.082	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	172.2	176	-93.3	0	0	0	111.2	W448 E463 L465 I480 L491 G495 V497 C726 I727	W448-Y450 HydrophobicContact CH2-CG 4.15Å; W448-Y450 VanDerWaalsContact CZ2-CB 3.5Å; W448-Y450 HydrophobicContact CZ2-CD2 4.38Å; W448-Y450 HydrophobicContact CZ2-CG 4.28Å; Y450-E463 PolarHBondContact OH-O 2.87Å; Y450-L465 HydrophobicContact CD1-CD1 3.64Å; Y450-L465 HydrophobicContact CD1-CG 4.08Å; Y450-L465 HydrophobicContact CE1-CD1 3.87Å; Y450-L465 HydrophobicContact CE1-CD2 4.07Å; Y450-L465 HydrophobicContact CE1-CG 3.77Å; Y450-I480 HydrophobicContact CD1-CD1 4.17Å; Y450-I480 HydrophobicContact CE1-CD1 4.38Å; Y450-L491 HydrophobicContact CD1-CD1 3.73Å; Y450-L491 HydrophobicContact CD2-CD1 3.92Å; Y450-L491 HydrophobicContact CE1-CD1 3.88Å; Y450-L491 HydrophobicContact CE1-CD2 4.29Å; Y450-L491 HydrophobicContact CE2-CD1 4.04Å; Y450-L491 HydrophobicContact CE2-CD2 4.25Å; Y450-L491 HydrophobicContact CG-CD1 3.75Å; Y450-G495 WeakPolarHBondContact CE2-O 3.21Å; Y450-V497 VanDerWaalsContact OH-CG2 3.25Å; Y450-V497 WeakPolarHBondContact OH-CG2 3.34Å; Y450-C726 CarbonylContact O-C 3.53Å; Y450-C726 WeakPolarHBondContact O-CA 3.45Å; Y450-C726 VanDerWaalsContact O-CB 3.24Å; Y450-C726 WeakPolarHBondContact O-CB 3.37Å; Y450-I727 PolarHBondContact N-O 3.44Å; Y450-I727 PolarHBondContact O-N 3.28Å
451	S	85.7	Confident	73.5	Confident	33 Å²	33	73.3 Å²	73.3	23%	0.231	41%	0.409	C	S	.	.			trans	-129	3.2	174.6	-62.4	0	0	0	0	112.2	Q449 S453 C726	Q449-S451 PolarHBondContact NE2-OG 2.83Å; S451-S453 PolarHBondContact O-N 2.81Å; S451-C726 WeakPolarHBondContact OG-CB 3.41Å
452	G	73.8	Confident	73.1	Confident	9 Å²	9	73.8 Å²	73.8	9%	0.093	41%	0.414	C	S	.	.	S	Bend	trans	72.5	-1	-172.5	0	0	0	0	0	115.7	S458 E463	G452-S458 PolarHBondContact O-OG 2.87Å; G452-E463 VanDerWaalsContact CA-O 3.29Å; G452-E463 WeakPolarHBondContact CA-O 3.39Å
453	S	60.1	Low	73.1	Confident	34 Å²	34	74 Å²	74	24%	0.238	41%	0.408	C	S	.	.			trans	-133.7	126.7	169.2	75.5	0	0	0	0	109.8	S451 G456 S458	S451-S453 PolarHBondContact O-N 2.81Å; S453-G456 PolarHBondContact OG-N 2.9Å; S453-G456 VanDerWaalsContact OG-N 3.16Å; S453-S458 WeakPolarHBondContact CA-OG 3.26Å; S453-S458 WeakPolarHBondContact CB-OG 3.06Å
454	N	52.4	Low	73.5	Confident	175 Å²	175	71.7 Å²	71.7	94%	0.936	40%	0.4	S	S	*	.	S	Bend	trans	-78.6	-6.1	164.2	-84.9	-14.4	0	0	0	111.7
455	K	49.1	Very low	74	Confident	185 Å²	185	71.3 Å²	71.3	80%	0.804	40%	0.398	S	S	*	.	S	Bend	trans	-138.4	14	-166.9	-72.1	-165.5	174.9	-177.8	0	116.1	D457	K455-D457 PolarHBondContact O-N 2.86Å
456	G	44.9	Very low	74.6	Confident	64 Å²	64	72.3 Å²	72.3	66%	0.66	40%	0.403	S	S	*	.	S	Bend	trans	70.7	-9.5	172.9	0	0	0	0	0	116.6	S453	S453-G456 PolarHBondContact OG-N 2.9Å; S453-G456 VanDerWaalsContact OG-N 3.16Å
457	D	51.4	Low	75	Confident	143 Å²	143	74.8 Å²	74.8	77%	0.765	41%	0.41	S	S	*	.			trans	-119.6	-8.6	-171.6	-74.9	-25.5	0	0	0	115.5	K455 Q459	K455-D457 PolarHBondContact O-N 2.86Å; D457-Q459 PolarHBondContact O-N 3.23Å
458	S	53.1	Low	75.5	Confident	48 Å²	48	71.3 Å²	71.3	34%	0.336	39%	0.392	S	S	.	.			trans	-73.2	102.9	174.4	53.8	0	0	0	0	109.9	G452 S453 D460	G452-S458 PolarHBondContact O-OG 2.87Å; S453-S458 WeakPolarHBondContact CA-OG 3.26Å; S453-S458 WeakPolarHBondContact CB-OG 3.06Å; S458-D460 PolarHBondContact O-N 2.67Å
459	Q	60	Low	75.9	Confident	185 Å²	185	69 Å²	69	86%	0.864	39%	0.385	S	S	*	.			trans	-82.1	11.1	172.7	-65.6	-175.9	-8.4	0	0	112.8	D457 A461	D457-Q459 PolarHBondContact O-N 3.23Å; Q459-A461 PolarHBondContact O-N 3.47Å; Q459-A461 VanDerWaalsContact O-N 3.08Å
460	D	75.4	Confident	76.2	Confident	90 Å²	90	65.6 Å²	65.6	48%	0.481	37%	0.368	S	S	.	.			trans	-67.7	113.2	179	-167.1	-12.8	0	0	0	109.2	S458 A462 E463 S464	S458-D460 PolarHBondContact O-N 2.67Å; D460-A462 PolarHBondContact O-N 2.88Å; D460-A462 WeakPolarHBondContact OD1-CB 3.26Å; D460-A462 PolarHBondContact OD1-N 2.87Å; D460-E463 PolarHBondContact O-N 2.73Å; D460-E463 VanDerWaalsContact O-N 3.11Å; D460-S464 WeakPolarHBondContact O-CB 3.43Å; D460-S464 PolarHBondContact O-N 2.78Å; D460-S464 PolarHBondContact O-OG 3.12Å
461	A	77.8	Confident	76.4	Confident	50 Å²	50	64.9 Å²	64.9	41%	0.413	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.8	177.8	0	0	0	0	0	112.1	Q459 K489	Q459-A461 PolarHBondContact O-N 3.47Å; Q459-A461 VanDerWaalsContact O-N 3.08Å; A461-K489 PolarHBondContact O-NZ 3.5Å
462	A	80.9	Confident	76.9	Confident	39 Å²	39	63.9 Å²	63.9	32%	0.322	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.7	174.5	0	0	0	0	0	112	D460 K489	D460-A462 PolarHBondContact O-N 2.88Å; D460-A462 WeakPolarHBondContact OD1-CB 3.26Å; D460-A462 PolarHBondContact OD1-N 2.87Å; A462-K489 VanDerWaalsContact C-NZ 3.29Å; A462-K489 WeakPolarHBondContact O-CE 3.49Å; A462-K489 PolarHBondContact O-NZ 3.43Å
463	E	83.4	Confident	77.7	Confident	83 Å²	83	65.4 Å²	65.4	39%	0.388	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-50.5	-177.3	-61.2	-168.2	159.7	0	0	112.2	Y450 G452 D460 K489	Y450-E463 PolarHBondContact OH-O 2.87Å; G452-E463 VanDerWaalsContact CA-O 3.29Å; G452-E463 WeakPolarHBondContact CA-O 3.39Å; D460-E463 PolarHBondContact O-N 2.73Å; D460-E463 VanDerWaalsContact O-N 3.11Å; E463-K489 PolarHBondContact O-NZ 2.8Å
464	S	90.8	Very high	79.1	Confident	22 Å²	22	66.2 Å²	66.2	15%	0.154	37%	0.367	C	S	.	.	S	Bend	trans	-59.7	146.1	-178.1	64.3	0	0	0	0	113.1	D460 H485 K489	D460-S464 WeakPolarHBondContact O-CB 3.43Å; D460-S464 PolarHBondContact O-N 2.78Å; D460-S464 PolarHBondContact O-OG 3.12Å; S464-H485 PolarHBondContact O-CE1 3.02Å; S464-H485 PolarHBondContact O-ND1 3.16Å; S464-K489 PolarHBondContact O-NZ 3.07Å
465	L	92.5	Very high	80.8	Confident	9 Å²	9	64 Å²	64	5%	0.047	36%	0.355	C	S	.	.			trans	-95.5	145.6	175.3	-67.5	178.2	0	0	0	111.5	Y450 P468 I480 D482 K489 N725 I727	Y450-L465 HydrophobicContact CD1-CD1 3.64Å; Y450-L465 HydrophobicContact CD1-CG 4.08Å; Y450-L465 HydrophobicContact CE1-CD1 3.87Å; Y450-L465 HydrophobicContact CE1-CD2 4.07Å; Y450-L465 HydrophobicContact CE1-CG 3.77Å; L465-P468 HydrophobicContact CB-CG 4.33Å; L465-P468 HydrophobicContact CD1-CB 4.34Å; L465-P468 HydrophobicContact CD1-CG 4.21Å; L465-I480 HydrophobicContact CD1-CD1 4.48Å; L465-I480 HydrophobicContact CD2-CG2 3.98Å; L465-D482 HydrophobicContact CD2-CB 4.22Å; L465-D482 WeakPolarHBondContact CD2-OD2 3.37Å; L465-K489 HydrophobicContact CD2-CD 3.93Å; L465-N725 WeakPolarHBondContact O-CB 3.38Å; L465-I727 HydrophobicContact CD1-CG1 4.03Å
466	L	93.6	Very high	82.6	Confident	68 Å²	68	60 Å²	60	36%	0.356	34%	0.339	S	S	.	.	S	Bend	trans	-139.2	103.7	174.5	-178.6	63.2	0	0	0	110.3	D482 G484 H485	L466-D482 WeakPolarHBondContact CA-OD1 3.45Å; L466-D482 PolarHBondContact N-OD1 3.31Å; L466-G484 WeakPolarHBondContact O-CA 3.31Å; L466-G484 PolarHBondContact O-N 3.06Å; L466-H485 WeakPolarHBondContact CB-CE1 3.48Å
467	Q	93.6	Very high	84.9	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.374	32%	0.319	S	S	.	.	S	Bend	trans	57.7	58.1	-175.4	-52.9	179.8	-29.3	0	0	113.4	V469 T483 L722 N725	Q467-V469 WeakPolarHBondContact O-CG2 3.37Å; Q467-V469 PolarHBondContact O-N 3Å; Q467-T483 PolarHBondContact O-N 2.87Å; Q467-L722 HydrophobicContact CB-CG 4.28Å; Q467-N725 PolarHBondContact N-OD1 2.7Å
468	P	96.2	Very high	86.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	125.7	170.9	29.3	-35	0	0	0	110.2	L465 I480 L481 S707 L722 I727	L465-P468 HydrophobicContact CB-CG 4.33Å; L465-P468 HydrophobicContact CD1-CB 4.34Å; L465-P468 HydrophobicContact CD1-CG 4.21Å; P468-I480 HydrophobicContact CB-CG2 3.86Å; P468-L481 WeakPolarHBondContact CA-O 3.45Å; P468-S707 PolarHBondContact O-OG 3.14Å; P468-L722 WeakPolarHBondContact O-CB 3.12Å; P468-I727 HydrophobicContact CB-CD1 4.13Å
469	V	96.6	Very high	88.9	Confident	19 Å²	19	50.9 Å²	50.9	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-38.2	-173.4	-176	0	0	0	0	112.6	Q467 L481 T483 V512 S707 G708 L722	Q467-V469 WeakPolarHBondContact O-CG2 3.37Å; Q467-V469 PolarHBondContact O-N 3Å; V469-L481 PolarHBondContact N-O 2.9Å; V469-T483 HydrophobicContact CG2-CG2 4.46Å; V469-T483 WeakPolarHBondContact CG2-OG1 3.39Å; V469-V512 HydrophobicContact CG1-CB 4.41Å; V469-V512 WeakPolarHBondContact CG1-O 3.28Å; V469-S707 WeakPolarHBondContact O-CB 3.31Å; V469-S707 PolarHBondContact O-OG 2.85Å; V469-G708 WeakPolarHBondContact O-CA 3.24Å; V469-G708 PolarHBondContact O-N 3.41Å; V469-L722 HydrophobicContact CG2-CD1 4.03Å
470	R	97.5	Very high	90.6	Very high	20 Å²	20	42 Å²	42	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.6	-178.9	-65.3	-67.6	-179.9	-115.2	11	111.3	L481 V512 L514 D557 T614 G660 G708	R470-L481 HydrophobicContact CB-CB 4.15Å; R470-L481 PolarHBondContact O-N 2.8Å; R470-V512 WeakPolarHBondContact CG-O 3.39Å; R470-L514 HydrophobicContact CB-CB 3.54Å; R470-L514 HydrophobicContact CB-CD2 4.12Å; R470-L514 HydrophobicContact CB-CG 4.44Å; R470-L514 HydrophobicContact CG-CB 4.14Å; R470-D557 IonicContact CZ-OD1 3.41Å; R470-D557 IonicContact CZ-OD2 3.78Å; R470-D557 IonicContact NE-OD1 3.09Å; R470-D557 PolarHBondContact NE-OD1 3.42Å; R470-D557 IonicContact NE-OD2 3.52Å; R470-D557 PolarHBondContact NE-OD2 3.45Å; R470-D557 VanDerWaalsContact NH2-CG 3.33Å; R470-D557 IonicContact NH2-OD1 3.94Å; R470-D557 IonicContact NH2-OD2 3.98Å; R470-D557 PolarHBondContact NH2-OD2 3.12Å; R470-T614 PolarHBondContact NH2-O 3.09Å; R470-G660 PolarHBondContact NH1-O 3.22Å; R470-G660 PolarHBondContact NH2-O 2.82Å; R470-G708 VanDerWaalsContact NH1-N 3.16Å
471	V	96.6	Very high	91.7	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.6	175.9	60.4	0	0	0	0	108.5	I478 S479 I480 C710 L718 A720 I727	V471-I478 HydrophobicContact CG2-CG2 3.66Å; V471-S479 CarbonylContact C-O 3.54Å; V471-S479 VanDerWaalsContact CA-O 3.3Å; V471-S479 WeakPolarHBondContact CA-O 3.38Å; V471-I480 HydrophobicContact CG2-CG1 4.34Å; V471-C710 WeakPolarHBondContact O-CB 3.46Å; V471-L718 HydrophobicContact CG1-CB 3.97Å; V471-L718 HydrophobicContact CG2-CB 4.01Å; V471-L718 HydrophobicContact CG2-CD1 3.97Å; V471-A720 HydrophobicContact CG1-CB 4.31Å; V471-I727 HydrophobicContact CB-CD1 4.21Å; V471-I727 HydrophobicContact CG2-CG2 4.22Å
472	A	94.6	Very high	92.5	Very high	11 Å²	11	35.4 Å²	35.4	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.3	179.7	0	0	0	0	0	109.4	S479 L514 I516	A472-S479 PolarHBondContact N-O 2.87Å; A472-S479 PolarHBondContact O-N 3.11Å; A472-L514 HydrophobicContact CB-CD2 3.83Å; A472-L514 HydrophobicContact CB-CG 4.14Å; A472-I516 HydrophobicContact CB-CD1 3.29Å; A472-I516 HydrophobicContact CB-CG1 3.88Å
473	V	92.2	Very high	93.3	Very high	41 Å²	41	33.8 Å²	33.8	25%	0.248	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.9	-176.7	179.6	0	0	0	0	110.1	L477 I478 V712 L718	V473-L477 VanDerWaalsContact CA-O 3.31Å; V473-L477 WeakPolarHBondContact CA-O 3.16Å; V473-I478 HydrophobicContact CG2-CG1 4.22Å; V473-V712 HydrophobicContact CG2-CG2 3.96Å; V473-L718 HydrophobicContact CG2-CD1 3.45Å; V473-L718 VanDerWaalsContact CG2-CD1 3.45Å
474	F	88.7	Confident	93.8	Very high	52 Å²	52	30.2 Å²	30.2	23%	0.228	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	133.2	172.9	177.1	-97.3	0	0	0	109.5	Q476 L477 I516 N522 W539	F474-Q476 VanDerWaalsContact C-N 3.25Å; F474-Q476 PolarHBondContact O-N 2.94Å; F474-L477 PolarHBondContact N-O 2.71Å; F474-L477 WeakPolarHBondContact O-CA 3.21Å; F474-L477 WeakPolarHBondContact O-CB 3.48Å; F474-L477 PolarHBondContact O-N 2.82Å; F474-I516 HydrophobicContact CB-CD1 3.96Å; F474-I516 HydrophobicContact CB-CG2 4.22Å; F474-I516 HydrophobicContact CD2-CG2 4.19Å; F474-I516 HydrophobicContact CG-CG2 4.37Å; F474-N522 HydrophobicContact CE1-CB 4.22Å; F474-N522 HydrophobicContact CE2-CB 3.95Å; F474-N522 WeakPolarHBondContact CE2-OD1 3.49Å; F474-N522 HydrophobicContact CZ-CB 3.72Å; F474-N522 WeakPolarHBondContact CZ-ND2 3.43Å; F474-W539 HydrophobicContact CB-CH2 3.35Å; F474-W539 HydrophobicContact CB-CZ2 3.73Å; F474-W539 HydrophobicContact CB-CZ3 4.07Å; F474-W539 HydrophobicContact CD1-CD2 4.16Å; F474-W539 AromaticContact CD1-CE2 3.62Å; F474-W539 HydrophobicContact CD1-CE3 4.42Å; F474-W539 AromaticContact CD1-CH2 3.75Å; F474-W539 HydrophobicContact CD1-CH2 3.75Å; F474-W539 AromaticContact CD1-CZ2 3.41Å; F474-W539 HydrophobicContact CD1-CZ2 3.41Å; F474-W539 VanDerWaalsContact CD1-CZ2 3.41Å; F474-W539 HydrophobicContact CD1-CZ3 4.23Å; F474-W539 HydrophobicContact CD2-CZ2 4.22Å; F474-W539 AromaticContact CE1-CE2 3.99Å; F474-W539 HydrophobicContact CE1-CZ2 4.12Å; F474-W539 AromaticContact CG-CH2 3.69Å; F474-W539 HydrophobicContact CG-CH2 3.69Å; F474-W539 AromaticContact CG-CZ2 3.49Å; F474-W539 HydrophobicContact CG-CZ2 3.49Å; F474-W539 VanDerWaalsContact CG-CZ2 3.49Å; F474-W539 HydrophobicContact CG-CZ3 4.48Å
475	D	87.1	Confident	94	Very high	129 Å²	129	31.5 Å²	31.5	69%	0.69	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	47.2	-179.2	-164	29.9	0	0	0	113.3	L477	D475-L477 PolarHBondContact O-N 2.84Å
476	Q	88.3	Confident	94.1	Very high	100 Å²	100	33.5 Å²	33.5	47%	0.467	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-4.9	-176.3	-53.5	-64.9	-15.2	0	0	115.8	F474 P493	F474-Q476 VanDerWaalsContact C-N 3.25Å; F474-Q476 PolarHBondContact O-N 2.94Å; Q476-P493 HydrophobicContact CB-CG 3.76Å; Q476-P493 WeakPolarHBondContact O-CG 3.38Å
477	L	92.4	Very high	94.2	Very high	48 Å²	48	30.4 Å²	30.4	25%	0.251	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.4	174.2	-61	178.1	0	0	0	111.2	V473 F474 D475 V490 L491 N492 V498	V473-L477 VanDerWaalsContact CA-O 3.31Å; V473-L477 WeakPolarHBondContact CA-O 3.16Å; F474-L477 PolarHBondContact N-O 2.71Å; F474-L477 WeakPolarHBondContact O-CA 3.21Å; F474-L477 WeakPolarHBondContact O-CB 3.48Å; F474-L477 PolarHBondContact O-N 2.82Å; D475-L477 PolarHBondContact O-N 2.84Å; L477-V490 HydrophobicContact CB-CG1 3.84Å; L477-V490 HydrophobicContact CD1-CG1 4.15Å; L477-V490 HydrophobicContact CG-CG1 4.41Å; L477-L491 CarbonylContact C-O 3.28Å; L477-L491 WeakPolarHBondContact CA-O 3.35Å; L477-N492 HydrophobicContact CD2-CB 4.37Å; L477-V498 HydrophobicContact CD2-CG2 4.26Å
478	I	94.1	Very high	94.3	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.077	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.6	-179.4	-53.6	171.3	0	0	0	108.8	W448 V471 V473 I480 V490 L491 L718	W448-I478 HydrophobicContact CH2-CD1 3.96Å; W448-I478 HydrophobicContact CZ3-CD1 4.12Å; V471-I478 HydrophobicContact CG2-CG2 3.66Å; V473-I478 HydrophobicContact CG2-CG1 4.22Å; I478-I480 HydrophobicContact CG2-CD1 4.41Å; I478-I480 HydrophobicContact CG2-CG1 4.04Å; I478-V490 CarbonylContact O-C 3.59Å; I478-V490 WeakPolarHBondContact O-CA 3.27Å; I478-L491 HydrophobicContact CB-CB 4.24Å; I478-L491 PolarHBondContact N-O 3.17Å; I478-L491 PolarHBondContact O-N 3.3Å; I478-L718 HydrophobicContact CB-CD1 4.46Å; I478-L718 HydrophobicContact CD1-CD1 3.95Å; I478-L718 HydrophobicContact CG1-CD1 3.97Å; I478-L718 HydrophobicContact CG2-CD1 3.69Å
479	S	94.6	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.7	174.6	-66.6	0	0	0	0	110.6	V471 A472 K489	V471-S479 CarbonylContact C-O 3.54Å; V471-S479 VanDerWaalsContact CA-O 3.3Å; V471-S479 WeakPolarHBondContact CA-O 3.38Å; A472-S479 PolarHBondContact N-O 2.87Å; A472-S479 PolarHBondContact O-N 3.11Å; S479-K489 CarbonylContact C-O 3.52Å; S479-K489 WeakPolarHBondContact CA-O 3.32Å
480	I	96.3	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118	-176.4	-57	166.6	0	0	0	108.6	Y450 L465 P468 V471 I478 D482 L488 K489 L491 I727	Y450-I480 HydrophobicContact CD1-CD1 4.17Å; Y450-I480 HydrophobicContact CE1-CD1 4.38Å; L465-I480 HydrophobicContact CD1-CD1 4.48Å; L465-I480 HydrophobicContact CD2-CG2 3.98Å; P468-I480 HydrophobicContact CB-CG2 3.86Å; V471-I480 HydrophobicContact CG2-CG1 4.34Å; I478-I480 HydrophobicContact CG2-CD1 4.41Å; I478-I480 HydrophobicContact CG2-CG1 4.04Å; I480-D482 PolarHBondContact O-N 3.39Å; I480-L488 CarbonylContact O-C 3.39Å; I480-L488 WeakPolarHBondContact O-CA 3.44Å; I480-L488 WeakPolarHBondContact O-CD1 3.4Å; I480-K489 HydrophobicContact CB-CB 4.47Å; I480-K489 PolarHBondContact N-O 2.8Å; I480-K489 PolarHBondContact O-N 2.63Å; I480-L491 HydrophobicContact CD1-CD1 3.5Å; I480-L491 HydrophobicContact CD1-CG 3.94Å; I480-I727 HydrophobicContact CD1-CD1 4.4Å; I480-I727 HydrophobicContact CD1-CG1 3.5Å; I480-I727 VanDerWaalsContact CD1-CG1 3.5Å; I480-I727 HydrophobicContact CG1-CD1 4.26Å; I480-I727 HydrophobicContact CG1-CG1 3.81Å; I480-I727 HydrophobicContact CG2-CD1 3.92Å; I480-I727 HydrophobicContact CG2-CG1 4.16Å
481	L	97.6	Very high	93.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	100.5	172.6	-173.3	62.3	0	0	0	109	P468 V469 R470 T483 L488 L506 A511 G513 L514	P468-L481 WeakPolarHBondContact CA-O 3.45Å; V469-L481 PolarHBondContact N-O 2.9Å; R470-L481 HydrophobicContact CB-CB 4.15Å; R470-L481 PolarHBondContact O-N 2.8Å; L481-T483 PolarHBondContact O-N 2.8Å; L481-L488 HydrophobicContact CB-CD1 4.06Å; L481-L488 HydrophobicContact CD1-CD1 4.16Å; L481-L506 HydrophobicContact CD1-CD2 4.02Å; L481-A511 HydrophobicContact CD1-CB 3.85Å; L481-A511 HydrophobicContact CD2-CB 4.15Å; L481-A511 HydrophobicContact CG-CB 4.32Å; L481-G513 WeakPolarHBondContact CD2-O 3.07Å; L481-L514 HydrophobicContact CB-CB 4.36Å; L481-L514 HydrophobicContact CB-CD2 4.22Å; L481-L514 HydrophobicContact CD2-CB 4.27Å
482	D	95.7	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	80	-176.7	-167.3	8.7	0	0	0	109.5	L465 L466 I480 G484 H485 N486 C487 K489	L465-D482 HydrophobicContact CD2-CB 4.22Å; L465-D482 WeakPolarHBondContact CD2-OD2 3.37Å; L466-D482 WeakPolarHBondContact CA-OD1 3.45Å; L466-D482 PolarHBondContact N-OD1 3.31Å; I480-D482 PolarHBondContact O-N 3.39Å; D482-G484 VanDerWaalsContact C-N 3.33Å; D482-G484 PolarHBondContact O-N 2.92Å; D482-H485 CarbonylContact O-C 3.51Å; D482-H485 PolarHBondContact O-N 3.17Å; D482-H485 VanDerWaalsContact O-N 3.15Å; D482-H485 IonicContact OD1-ND1 3.73Å; D482-H485 IonicContact OD2-CE1 3.87Å; D482-H485 IonicContact OD2-CG 3.63Å; D482-H485 IonicContact OD2-ND1 2.8Å; D482-H485 PolarHBondContact OD2-ND1 2.93Å; D482-N486 PolarHBondContact O-N 3.3Å; D482-N486 VanDerWaalsContact O-N 3.11Å; D482-C487 CarbonylContact C-O 3.6Å; D482-C487 PolarHBondContact N-O 2.8Å; D482-C487 PolarHBondContact O-N 2.71Å; D482-K489 HydrophobicContact CB-CD 4.49Å; D482-K489 HydrophobicContact CB-CG 4.44Å; D482-K489 WeakPolarHBondContact OD2-CE 2.98Å; D482-K489 IonicContact OD2-NZ 2.9Å; D482-K489 PolarHBondContact OD2-NZ 3.36Å
483	T	96.4	Very high	93.2	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.037	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.4	-37.3	-169.1	-56.3	0	0	0	0	112.8	Q467 V469 L481 H485 N486 Q509 A511	Q467-T483 PolarHBondContact O-N 2.87Å; V469-T483 HydrophobicContact CG2-CG2 4.46Å; V469-T483 WeakPolarHBondContact CG2-OG1 3.39Å; L481-T483 PolarHBondContact O-N 2.8Å; T483-H485 PolarHBondContact O-N 2.86Å; T483-N486 PolarHBondContact O-N 3.22Å; T483-N486 VanDerWaalsContact O-N 3.08Å; T483-N486 PolarHBondContact O-OD1 2.93Å; T483-Q509 HydrophobicContact CG2-CB 4.22Å; T483-Q509 WeakPolarHBondContact CG2-O 3.37Å; T483-Q509 WeakPolarHBondContact O-CA 3.31Å; T483-A511 WeakPolarHBondContact CB-O 3.41Å; T483-A511 WeakPolarHBondContact CG2-O 3.3Å; T483-A511 PolarHBondContact OG1-O 2.92Å
484	G	94.2	Very high	92.9	Very high	7 Å²	7	33.4 Å²	33.4	7%	0.072	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.4	-28.9	179	0	0	0	0	0	112.9	L466 D482	L466-G484 WeakPolarHBondContact O-CA 3.31Å; L466-G484 PolarHBondContact O-N 3.06Å; D482-G484 VanDerWaalsContact C-N 3.33Å; D482-G484 PolarHBondContact O-N 2.92Å
485	H	94.5	Very high	92.6	Very high	49 Å²	49	31.4 Å²	31.4	23%	0.227	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-94.3	5.9	173.1	-67.1	137.2	0	0	0	113.9	S464 L466 D482 T483 C487	S464-H485 PolarHBondContact O-CE1 3.02Å; S464-H485 PolarHBondContact O-ND1 3.16Å; L466-H485 WeakPolarHBondContact CB-CE1 3.48Å; D482-H485 CarbonylContact O-C 3.51Å; D482-H485 PolarHBondContact O-N 3.17Å; D482-H485 VanDerWaalsContact O-N 3.15Å; D482-H485 IonicContact OD1-ND1 3.73Å; D482-H485 IonicContact OD2-CE1 3.87Å; D482-H485 IonicContact OD2-CG 3.63Å; D482-H485 IonicContact OD2-ND1 2.8Å; D482-H485 PolarHBondContact OD2-ND1 2.93Å; T483-H485 PolarHBondContact O-N 2.86Å; H485-C487 PolarHBondContact O-N 3.38Å
486	N	96.1	Very high	92.7	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.273	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.4	-179.8	-58	-41.6	0	0	0	113.6	D482 T483 L506 Q509	D482-N486 PolarHBondContact O-N 3.3Å; D482-N486 VanDerWaalsContact O-N 3.11Å; T483-N486 PolarHBondContact O-N 3.22Å; T483-N486 VanDerWaalsContact O-N 3.08Å; T483-N486 PolarHBondContact O-OD1 2.93Å; N486-L506 WeakPolarHBondContact CA-O 3.42Å; N486-L506 WeakPolarHBondContact CB-O 3.37Å; N486-L506 WeakPolarHBondContact O-CB 3.43Å; N486-L506 PolarHBondContact OD1-O 3.21Å; N486-Q509 WeakPolarHBondContact OD1-CA 3.42Å; N486-Q509 WeakPolarHBondContact OD1-CG 3.33Å; N486-Q509 PolarHBondContact OD1-N 2.9Å
487	C	95.6	Very high	92.9	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.02	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.6	-172.8	70.2	0	0	0	0	113.1	D482 H485 K489 L500 I501 T502	D482-C487 CarbonylContact C-O 3.6Å; D482-C487 PolarHBondContact N-O 2.8Å; D482-C487 PolarHBondContact O-N 2.71Å; H485-C487 PolarHBondContact O-N 3.38Å; C487-K489 VanDerWaalsContact SG-CE 3.58Å; C487-L500 HydrophobicContact CB-CD1 3.62Å; C487-L500 HydrophobicContact CB-CG 4.41Å; C487-L500 VanDerWaalsContact SG-CD1 3.51Å; C487-I501 CarbonylContact C-O 3.51Å; C487-I501 VanDerWaalsContact CA-O 3.26Å; C487-I501 WeakPolarHBondContact CA-O 3.5Å; C487-I501 WeakPolarHBondContact CB-O 3.42Å; C487-T502 HydrophobicContact CB-CG2 3.84Å
488	L	95.4	Very high	92.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.2	165.4	-175.2	79.9	0	0	0	107.9	I480 L481 I501 L506 L514 L524	I480-L488 CarbonylContact O-C 3.39Å; I480-L488 WeakPolarHBondContact O-CA 3.44Å; I480-L488 WeakPolarHBondContact O-CD1 3.4Å; L481-L488 HydrophobicContact CB-CD1 4.06Å; L481-L488 HydrophobicContact CD1-CD1 4.16Å; L488-I501 HydrophobicContact CB-CB 4.17Å; L488-I501 HydrophobicContact CD2-CD1 4.09Å; L488-I501 PolarHBondContact N-O 3.35Å; L488-I501 PolarHBondContact O-N 2.88Å; L488-L506 HydrophobicContact CB-CD1 4.3Å; L488-L514 HydrophobicContact CD1-CD1 3.76Å; L488-L514 HydrophobicContact CD1-CD2 3.88Å; L488-L514 HydrophobicContact CD1-CG 4.46Å; L488-L514 HydrophobicContact CD2-CD1 4.36Å; L488-L524 HydrophobicContact CD2-CD1 4.12Å; L488-L524 HydrophobicContact CD2-CD2 3.59Å; L488-L524 HydrophobicContact CD2-CG 4.18Å
489	K	94.1	Very high	92.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.7	178.3	-61.3	-171.2	-179.6	-166.1	0	109.7	A461 A462 E463 S464 L465 S479 I480 D482 C487 L500	A461-K489 PolarHBondContact O-NZ 3.5Å; A462-K489 VanDerWaalsContact C-NZ 3.29Å; A462-K489 WeakPolarHBondContact O-CE 3.49Å; A462-K489 PolarHBondContact O-NZ 3.43Å; E463-K489 PolarHBondContact O-NZ 2.8Å; S464-K489 PolarHBondContact O-NZ 3.07Å; L465-K489 HydrophobicContact CD2-CD 3.93Å; S479-K489 CarbonylContact C-O 3.52Å; S479-K489 WeakPolarHBondContact CA-O 3.32Å; I480-K489 HydrophobicContact CB-CB 4.47Å; I480-K489 PolarHBondContact N-O 2.8Å; I480-K489 PolarHBondContact O-N 2.63Å; D482-K489 HydrophobicContact CB-CD 4.49Å; D482-K489 HydrophobicContact CB-CG 4.44Å; D482-K489 WeakPolarHBondContact OD2-CE 2.98Å; D482-K489 IonicContact OD2-NZ 2.9Å; D482-K489 PolarHBondContact OD2-NZ 3.36Å; C487-K489 VanDerWaalsContact SG-CE 3.58Å; K489-L500 HydrophobicContact CG-CD1 3.84Å
490	V	94	Very high	92.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.5	175.3	-170.5	0	0	0	0	108.3	L477 I478 V498 R499 I501	L477-V490 HydrophobicContact CB-CG1 3.84Å; L477-V490 HydrophobicContact CD1-CG1 4.15Å; L477-V490 HydrophobicContact CG-CG1 4.41Å; I478-V490 CarbonylContact O-C 3.59Å; I478-V490 WeakPolarHBondContact O-CA 3.27Å; V490-V498 HydrophobicContact CB-CG2 4.3Å; V490-V498 HydrophobicContact CG1-CG2 4.11Å; V490-V498 VanDerWaalsContact O-CG2 3.27Å; V490-V498 WeakPolarHBondContact O-CG2 3.5Å; V490-V498 PolarHBondContact O-N 2.79Å; V490-R499 HydrophobicContact CB-CB 3.85Å; V490-R499 HydrophobicContact CG2-CB 4.01Å; V490-R499 PolarHBondContact N-O 2.84Å; V490-R499 PolarHBondContact O-N 2.88Å; V490-I501 HydrophobicContact CG2-CD1 4.32Å
491	L	93.7	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.6	176.9	-46.8	-179.1	0	0	0	110.7	W448 Y450 L477 I478 I480 M496 V497	W448-L491 HydrophobicContact CH2-CD1 4.08Å; Y450-L491 HydrophobicContact CD1-CD1 3.73Å; Y450-L491 HydrophobicContact CD2-CD1 3.92Å; Y450-L491 HydrophobicContact CE1-CD1 3.88Å; Y450-L491 HydrophobicContact CE1-CD2 4.29Å; Y450-L491 HydrophobicContact CE2-CD1 4.04Å; Y450-L491 HydrophobicContact CE2-CD2 4.25Å; Y450-L491 HydrophobicContact CG-CD1 3.75Å; L477-L491 CarbonylContact C-O 3.28Å; L477-L491 WeakPolarHBondContact CA-O 3.35Å; I478-L491 HydrophobicContact CB-CB 4.24Å; I478-L491 PolarHBondContact N-O 3.17Å; I478-L491 PolarHBondContact O-N 3.3Å; I480-L491 HydrophobicContact CD1-CD1 3.5Å; I480-L491 HydrophobicContact CD1-CG 3.94Å; L491-M496 VanDerWaalsContact CA-O 3.22Å; L491-M496 WeakPolarHBondContact CA-O 3.35Å; L491-V497 HydrophobicContact CD2-CB 4.05Å; L491-V497 HydrophobicContact CD2-CG2 3.46Å; L491-V497 VanDerWaalsContact CD2-CG2 3.46Å
492	N	91.5	Very high	92.4	Very high	33 Å²	33	41.3 Å²	41.3	18%	0.176	22%	0.221	C	C	.	.			trans	-79.8	171.7	161.6	71	-2.3	0	0	0	111.1	L477 E494 G495 M496 V498	L477-N492 HydrophobicContact CD2-CB 4.37Å; N492-E494 PolarHBondContact ND2-OE2 3.05Å; N492-E494 PolarHBondContact O-N 2.87Å; N492-E494 VanDerWaalsContact O-N 3.15Å; N492-E494 PolarHBondContact OD1-N 2.74Å; N492-E494 PolarHBondContact OD1-OE2 2.75Å; N492-G495 PolarHBondContact O-N 3.37Å; N492-G495 PolarHBondContact OD1-N 3.26Å; N492-G495 VanDerWaalsContact OD1-N 3.15Å; N492-M496 PolarHBondContact N-O 2.82Å; N492-M496 WeakPolarHBondContact OD1-CA 3.25Å; N492-M496 WeakPolarHBondContact OD1-CB 3.36Å; N492-M496 PolarHBondContact OD1-N 2.79Å; N492-M496 PolarHBondContact OD1-O 3Å; N492-V498 HydrophobicContact CB-CG1 3.93Å
493	P	85.5	Confident	92.2	Very high	66 Å²	66	42.8 Å²	42.8	43%	0.429	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.7	177.7	-29.8	38.8	0	0	0	114.8	Q476 G495	Q476-P493 HydrophobicContact CB-CG 3.76Å; Q476-P493 WeakPolarHBondContact O-CG 3.38Å; P493-G495 PolarHBondContact O-N 3.15Å
494	E	84.6	Confident	91.9	Very high	139 Å²	139	47.8 Å²	47.8	65%	0.65	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.9	177.8	-61.9	69.2	-143.6	0	0	113	N492	N492-E494 PolarHBondContact ND2-OE2 3.05Å; N492-E494 PolarHBondContact O-N 2.87Å; N492-E494 VanDerWaalsContact O-N 3.15Å; N492-E494 PolarHBondContact OD1-N 2.74Å; N492-E494 PolarHBondContact OD1-OE2 2.75Å
495	G	83.8	Confident	91.9	Very high	11 Å²	11	47.5 Å²	47.5	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	85.8	13.7	179.8	0	0	0	0	0	114.8	Y450 N492 P493	Y450-G495 WeakPolarHBondContact CE2-O 3.21Å; N492-G495 PolarHBondContact O-N 3.37Å; N492-G495 PolarHBondContact OD1-N 3.26Å; N492-G495 VanDerWaalsContact OD1-N 3.15Å; P493-G495 PolarHBondContact O-N 3.15Å
496	M	89.3	Confident	92	Very high	111 Å²	111	45.1 Å²	45.1	55%	0.547	25%	0.253	S	S	.	.			trans	-84.6	135.9	174.5	-63	-64.7	-60.1	0	0	110.4	L491 N492 V498	L491-M496 VanDerWaalsContact CA-O 3.22Å; L491-M496 WeakPolarHBondContact CA-O 3.35Å; N492-M496 PolarHBondContact N-O 2.82Å; N492-M496 WeakPolarHBondContact OD1-CA 3.25Å; N492-M496 WeakPolarHBondContact OD1-CB 3.36Å; N492-M496 PolarHBondContact OD1-N 2.79Å; N492-M496 PolarHBondContact OD1-O 3Å; M496-V498 PolarHBondContact O-N 2.85Å
497	V	90.7	Very high	91.9	Very high	44 Å²	44	44 Å²	44	27%	0.267	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	113.4	172.7	-176.3	0	0	0	0	109.1	Y450 L491	Y450-V497 VanDerWaalsContact OH-CG2 3.25Å; Y450-V497 WeakPolarHBondContact OH-CG2 3.34Å; L491-V497 HydrophobicContact CD2-CB 4.05Å; L491-V497 HydrophobicContact CD2-CG2 3.46Å; L491-V497 VanDerWaalsContact CD2-CG2 3.46Å
498	V	91.6	Very high	91.9	Very high	76 Å²	76	49.7 Å²	49.7	46%	0.461	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-17.8	176.6	-64.3	0	0	0	0	112.5	L477 V490 N492 M496	L477-V498 HydrophobicContact CD2-CG2 4.26Å; V490-V498 HydrophobicContact CB-CG2 4.3Å; V490-V498 HydrophobicContact CG1-CG2 4.11Å; V490-V498 VanDerWaalsContact O-CG2 3.27Å; V490-V498 WeakPolarHBondContact O-CG2 3.5Å; V490-V498 PolarHBondContact O-N 2.79Å; N492-V498 HydrophobicContact CB-CG1 3.93Å; M496-V498 PolarHBondContact O-N 2.85Å
499	R	91	Very high	91.9	Very high	90 Å²	90	54.8 Å²	54.8	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	144.9	177.8	-159.6	166.6	-68.3	163.5	1.2	112.2	V490 I501 W539 Q540	V490-R499 HydrophobicContact CB-CB 3.85Å; V490-R499 HydrophobicContact CG2-CB 4.01Å; V490-R499 PolarHBondContact N-O 2.84Å; V490-R499 PolarHBondContact O-N 2.88Å; R499-I501 HydrophobicContact CG-CG1 4.05Å; R499-W539 WeakPolarHBondContact CD-O 3.38Å; R499-W539 PolarHBondContact NH1-O 2.8Å; R499-Q540 VanDerWaalsContact NH1-CA 3.27Å
500	L	93.5	Very high	92	Very high	85 Å²	85	54.8 Å²	54.8	45%	0.445	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.4	171.6	-176.3	69.8	0	0	0	108.2	C487 K489 T502	C487-L500 HydrophobicContact CB-CD1 3.62Å; C487-L500 HydrophobicContact CB-CG 4.41Å; C487-L500 VanDerWaalsContact SG-CD1 3.51Å; K489-L500 HydrophobicContact CG-CD1 3.84Å; L500-T502 HydrophobicContact CG-CG2 4.25Å
501	I	94	Very high	92.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.6	179.8	-57.2	170.8	0	0	0	108	C487 L488 V490 R499 L506 L524 W537	C487-I501 CarbonylContact C-O 3.51Å; C487-I501 VanDerWaalsContact CA-O 3.26Å; C487-I501 WeakPolarHBondContact CA-O 3.5Å; C487-I501 WeakPolarHBondContact CB-O 3.42Å; L488-I501 HydrophobicContact CB-CB 4.17Å; L488-I501 HydrophobicContact CD2-CD1 4.09Å; L488-I501 PolarHBondContact N-O 3.35Å; L488-I501 PolarHBondContact O-N 2.88Å; V490-I501 HydrophobicContact CG2-CD1 4.32Å; R499-I501 HydrophobicContact CG-CG1 4.05Å; I501-L506 HydrophobicContact CG2-CD1 4.45Å; I501-L524 HydrophobicContact CD1-CD2 4.44Å; I501-W537 HydrophobicContact CG2-CD2 4.23Å; I501-W537 HydrophobicContact CG2-CE3 3.64Å; I501-W537 HydrophobicContact CG2-CH2 4.35Å; I501-W537 HydrophobicContact CG2-CZ3 3.69Å
502	T	94.3	Very high	92.3	Very high	90 Å²	90	55.5 Å²	55.5	55%	0.552	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	154	178.9	60.9	0	0	0	0	109.5	C487 L500	C487-T502 HydrophobicContact CB-CG2 3.84Å; L500-T502 HydrophobicContact CG-CG2 4.25Å
503	G	91.5	Very high	92.5	Very high	30 Å²	30	53.9 Å²	53.9	31%	0.309	30%	0.3	S	S	.	.			trans	177.1	168.2	179.7	0	0	0	0	0	111.4	S505 L506 A507	G503-S505 PolarHBondContact O-N 2.91Å; G503-L506 PolarHBondContact O-N 2.81Å; G503-A507 PolarHBondContact O-N 3.33Å
504	T	91.1	Very high	93.1	Very high	111 Å²	111	51.4 Å²	51.4	68%	0.681	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.4	179.7	51.4	0	0	0	0	111.8	L506 A507	T504-L506 PolarHBondContact O-N 2.88Å; T504-A507 WeakPolarHBondContact O-CB 3.48Å; T504-A507 PolarHBondContact O-N 3.23Å
505	S	93.8	Very high	93.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.7	173.5	-59	0	0	0	0	113.5	G503 N528 T535 E543	G503-S505 PolarHBondContact O-N 2.91Å; S505-N528 WeakPolarHBondContact O-CB 3.16Å; S505-N528 PolarHBondContact O-ND2 2.89Å; S505-T535 WeakPolarHBondContact CB-OG1 3.41Å; S505-T535 PolarHBondContact OG-OG1 3.18Å; S505-E543 WeakPolarHBondContact CB-OE1 3.28Å; S505-E543 PolarHBondContact OG-OE1 3Å
506	L	96.1	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-100.5	-0.9	179.9	-59.5	177.6	0	0	0	113.9	L481 N486 L488 I501 G503 T504 A511 T526 W537	L481-L506 HydrophobicContact CD1-CD2 4.02Å; N486-L506 WeakPolarHBondContact CA-O 3.42Å; N486-L506 WeakPolarHBondContact CB-O 3.37Å; N486-L506 WeakPolarHBondContact O-CB 3.43Å; N486-L506 PolarHBondContact OD1-O 3.21Å; L488-L506 HydrophobicContact CB-CD1 4.3Å; I501-L506 HydrophobicContact CG2-CD1 4.45Å; G503-L506 PolarHBondContact O-N 2.81Å; T504-L506 PolarHBondContact O-N 2.88Å; L506-A511 HydrophobicContact CD2-CB 3.73Å; L506-T526 HydrophobicContact CD2-CG2 4.04Å; L506-W537 HydrophobicContact CD1-CH2 4.24Å; L506-W537 HydrophobicContact CD1-CZ2 4.03Å; L506-W537 HydrophobicContact CD2-CZ2 4.18Å; L506-W537 HydrophobicContact CG-CH2 4.21Å; L506-W537 HydrophobicContact CG-CZ2 3.76Å
507	A	95.4	Very high	93.4	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	173.2	-172	0	0	0	0	0	114.1	G503 T504 Q509 G510 N528	G503-A507 PolarHBondContact O-N 3.33Å; T504-A507 WeakPolarHBondContact O-CB 3.48Å; T504-A507 PolarHBondContact O-N 3.23Å; A507-Q509 PolarHBondContact O-N 2.97Å; A507-Q509 VanDerWaalsContact O-N 3.17Å; A507-G510 PolarHBondContact O-N 2.9Å; A507-N528 PolarHBondContact O-ND2 2.76Å
508	D	95.1	Very high	92.4	Very high	124 Å²	124	46 Å²	46	66%	0.663	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	27.2	170.9	-56.5	-36.8	0	0	0	115.6	G510	D508-G510 PolarHBondContact O-N 2.79Å; D508-G510 VanDerWaalsContact O-N 3.09Å
509	Q	95.4	Very high	91.1	Very high	107 Å²	107	44 Å²	44	50%	0.5	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	32	-177.3	-56	175.1	15.3	0	0	111.6	T483 N486 A507	T483-Q509 HydrophobicContact CG2-CB 4.22Å; T483-Q509 WeakPolarHBondContact CG2-O 3.37Å; T483-Q509 WeakPolarHBondContact O-CA 3.31Å; N486-Q509 WeakPolarHBondContact OD1-CA 3.42Å; N486-Q509 WeakPolarHBondContact OD1-CG 3.33Å; N486-Q509 PolarHBondContact OD1-N 2.9Å; A507-Q509 PolarHBondContact O-N 2.97Å; A507-Q509 VanDerWaalsContact O-N 3.17Å
510	G	95.7	Very high	89.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-14	-172.6	0	0	0	0	0	114.1	A507 D508 V512 N528 W529	A507-G510 PolarHBondContact O-N 2.9Å; D508-G510 PolarHBondContact O-N 2.79Å; D508-G510 VanDerWaalsContact O-N 3.09Å; G510-V512 PolarHBondContact O-N 3.06Å; G510-N528 VanDerWaalsContact C-OD1 3.29Å; G510-N528 WeakPolarHBondContact CA-OD1 3.31Å; G510-N528 CarbonylContact O-C 3.59Å; G510-N528 VanDerWaalsContact O-CA 3.25Å; G510-N528 WeakPolarHBondContact O-CA 3.32Å; G510-N528 PolarHBondContact O-OD1 2.79Å; G510-W529 PolarHBondContact O-N 2.61Å
511	A	97.5	Very high	87.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	179.5	0	0	0	0	0	111	L481 T483 L506 L527	L481-A511 HydrophobicContact CD1-CB 3.85Å; L481-A511 HydrophobicContact CD2-CB 4.15Å; L481-A511 HydrophobicContact CG-CB 4.32Å; T483-A511 WeakPolarHBondContact CB-O 3.41Å; T483-A511 WeakPolarHBondContact CG2-O 3.3Å; T483-A511 PolarHBondContact OG1-O 2.92Å; L506-A511 HydrophobicContact CD2-CB 3.73Å; A511-L527 CarbonylContact C-O 3.59Å; A511-L527 WeakPolarHBondContact CA-O 3.41Å
512	V	96.5	Very high	86.7	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-27.2	-173.9	-71.8	0	0	0	0	114.4	V469 R470 G510 L527 W529 I556	V469-V512 HydrophobicContact CG1-CB 4.41Å; V469-V512 WeakPolarHBondContact CG1-O 3.28Å; R470-V512 WeakPolarHBondContact CG-O 3.39Å; G510-V512 PolarHBondContact O-N 3.06Å; V512-L527 PolarHBondContact N-O 3.05Å; V512-W529 HydrophobicContact CG2-CB 3.85Å; V512-W529 HydrophobicContact CG2-CG 4.25Å; V512-I556 WeakPolarHBondContact CG2-O 3.48Å
513	G	96.6	Very high	86.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144	177.3	0	0	0	0	0	111.7	L481 T526 L527	L481-G513 WeakPolarHBondContact CD2-O 3.07Å; G513-T526 CarbonylContact O-C 3.55Å; G513-T526 VanDerWaalsContact O-CA 3.24Å; G513-T526 WeakPolarHBondContact O-CA 3.38Å; G513-L527 PolarHBondContact N-O 3.35Å; G513-L527 PolarHBondContact O-N 3.48Å
514	L	97.2	Very high	86.1	Confident	14 Å²	14	43 Å²	43	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	125.5	176.9	174.9	66.8	0	0	0	108.4	R470 A472 L481 L488 L524 I525 T526	R470-L514 HydrophobicContact CB-CB 3.54Å; R470-L514 HydrophobicContact CB-CD2 4.12Å; R470-L514 HydrophobicContact CB-CG 4.44Å; R470-L514 HydrophobicContact CG-CB 4.14Å; A472-L514 HydrophobicContact CB-CD2 3.83Å; A472-L514 HydrophobicContact CB-CG 4.14Å; L481-L514 HydrophobicContact CB-CB 4.36Å; L481-L514 HydrophobicContact CB-CD2 4.22Å; L481-L514 HydrophobicContact CD2-CB 4.27Å; L488-L514 HydrophobicContact CD1-CD1 3.76Å; L488-L514 HydrophobicContact CD1-CD2 3.88Å; L488-L514 HydrophobicContact CD1-CG 4.46Å; L488-L514 HydrophobicContact CD2-CD1 4.36Å; L514-L524 HydrophobicContact CD1-CD1 3.59Å; L514-I525 CarbonylContact C-O 3.59Å; L514-I525 WeakPolarHBondContact CA-O 3.43Å; L514-T526 HydrophobicContact CD1-CG2 4.01Å
515	A	94.7	Very high	86.3	Confident	8 Å²	8	37.9 Å²	37.9	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.1	173.2	0	0	0	0	0	111.6	I525 L558 I560	A515-I525 PolarHBondContact N-O 2.84Å; A515-I525 PolarHBondContact O-N 2.84Å; A515-L558 HydrophobicContact CB-CD1 3.37Å; A515-I560 HydrophobicContact CB-CD1 4.09Å; A515-I560 HydrophobicContact CB-CG1 3.99Å
516	I	90.1	Very high	86.5	Confident	28 Å²	28	37.9 Å²	37.9	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.1	174.5	-59.6	165.1	0	0	0	107.7	A472 F474 A523 L524 W539	A472-I516 HydrophobicContact CB-CD1 3.29Å; A472-I516 HydrophobicContact CB-CG1 3.88Å; F474-I516 HydrophobicContact CB-CD1 3.96Å; F474-I516 HydrophobicContact CB-CG2 4.22Å; F474-I516 HydrophobicContact CD2-CG2 4.19Å; F474-I516 HydrophobicContact CG-CG2 4.37Å; I516-A523 CarbonylContact C-O 3.56Å; I516-A523 WeakPolarHBondContact CA-O 3.31Å; I516-L524 HydrophobicContact CG1-CD1 3.99Å; I516-W539 HydrophobicContact CD1-CH2 3.7Å; I516-W539 HydrophobicContact CG1-CH2 3.83Å; I516-W539 HydrophobicContact CG1-CZ2 4.38Å; I516-W539 HydrophobicContact CG2-CH2 3.9Å; I516-W539 HydrophobicContact CG2-CZ2 3.67Å
517	G	80.4	Confident	86.6	Confident	4 Å²	4	37.9 Å²	37.9	4%	0.041	21%	0.209	C	C	.	.			trans	-78	128.5	171.7	0	0	0	0	0	109.4	V519 N522 A523	G517-V519 VanDerWaalsContact C-N 3.27Å; G517-V519 PolarHBondContact O-N 2.81Å; G517-N522 WeakPolarHBondContact O-CA 3.48Å; G517-A523 PolarHBondContact N-O 3.42Å
518	K	70.3	Confident	86.7	Confident	150 Å²	150	36.7 Å²	36.7	65%	0.652	20%	0.199	S	C	*	.			trans	-86	6.7	176.4	-64.6	-172.2	177.1	-176	0	113.8
519	V	62.8	Low	86.8	Confident	35 Å²	35	35.4 Å²	35.4	21%	0.212	19%	0.185	C	C	.	.	S	Bend	trans	-85.6	161.5	179.2	-165.5	0	0	0	0	110	G517 D521 N522 L562	G517-V519 VanDerWaalsContact C-N 3.27Å; G517-V519 PolarHBondContact O-N 2.81Å; V519-D521 PolarHBondContact O-N 2.83Å; V519-N522 PolarHBondContact O-N 2.78Å; V519-N522 PolarHBondContact O-OD1 2.86Å; V519-L562 WeakPolarHBondContact CG2-O 3.43Å
520	S	56.5	Low	86.8	Confident	93 Å²	93	37.6 Å²	37.6	65%	0.65	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-29.4	-37.6	-172.7	59.9	0	0	0	0	118.2
521	D	60.8	Low	86.8	Confident	120 Å²	120	39.9 Å²	39.9	64%	0.642	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.1	-173.2	-52.9	-14.2	0	0	0	112.7	V519 A523	V519-D521 PolarHBondContact O-N 2.83Å; D521-A523 PolarHBondContact O-N 2.81Å
522	N	70	Confident	86.8	Confident	46 Å²	46	43.3 Å²	43.3	25%	0.246	22%	0.22	C	C	.	.			trans	44.6	55.7	-179.4	-61.2	-49.4	0	0	0	113.1	F474 G517 V519 L524 W539	F474-N522 HydrophobicContact CE1-CB 4.22Å; F474-N522 HydrophobicContact CE2-CB 3.95Å; F474-N522 WeakPolarHBondContact CE2-OD1 3.49Å; F474-N522 HydrophobicContact CZ-CB 3.72Å; F474-N522 WeakPolarHBondContact CZ-ND2 3.43Å; G517-N522 WeakPolarHBondContact O-CA 3.48Å; V519-N522 PolarHBondContact O-N 2.78Å; V519-N522 PolarHBondContact O-OD1 2.86Å; N522-L524 PolarHBondContact O-N 2.91Å; N522-W539 PolarHBondContact O-NE1 2.88Å
523	A	80.3	Confident	86.9	Confident	19 Å²	19	44.5 Å²	44.5	16%	0.157	23%	0.225	C	C	.	.			trans	-66.8	126.5	-174.6	0	0	0	0	0	112.3	I516 G517 D521 I525 E536	I516-A523 CarbonylContact C-O 3.56Å; I516-A523 WeakPolarHBondContact CA-O 3.31Å; G517-A523 PolarHBondContact N-O 3.42Å; D521-A523 PolarHBondContact O-N 2.81Å; A523-I525 HydrophobicContact CB-CG1 4.4Å; A523-E536 HydrophobicContact CB-CG 4.21Å; A523-E536 WeakPolarHBondContact CB-OE1 3.28Å
524	L	91.6	Very high	87	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.5	172.1	173.5	65.1	0	0	0	108.6	L488 I501 L514 I516 N522 E536 W537 W539	L488-L524 HydrophobicContact CD2-CD1 4.12Å; L488-L524 HydrophobicContact CD2-CD2 3.59Å; L488-L524 HydrophobicContact CD2-CG 4.18Å; I501-L524 HydrophobicContact CD1-CD2 4.44Å; L514-L524 HydrophobicContact CD1-CD1 3.59Å; I516-L524 HydrophobicContact CG1-CD1 3.99Å; N522-L524 PolarHBondContact O-N 2.91Å; L524-E536 CarbonylContact O-C 3.58Å; L524-E536 WeakPolarHBondContact O-CA 3.49Å; L524-W537 HydrophobicContact CB-CB 4.33Å; L524-W537 HydrophobicContact CD2-CB 4.1Å; L524-W537 HydrophobicContact CG-CB 4.24Å; L524-W537 PolarHBondContact O-N 2.85Å; L524-W539 HydrophobicContact CB-CH2 4.47Å; L524-W539 HydrophobicContact CB-CZ2 4.38Å; L524-W539 HydrophobicContact CD1-CH2 4.32Å; L524-W539 HydrophobicContact CD1-CZ3 4.43Å; L524-W539 HydrophobicContact CD2-CE3 4.26Å; L524-W539 HydrophobicContact CD2-CZ3 4.28Å
525	I	95.4	Very high	87	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.7	-174.9	-57.6	-172.9	0	0	0	110.9	L514 A515 A523 V534 T535 E536 L558 I560 I566	L514-I525 CarbonylContact C-O 3.59Å; L514-I525 WeakPolarHBondContact CA-O 3.43Å; A515-I525 PolarHBondContact N-O 2.84Å; A515-I525 PolarHBondContact O-N 2.84Å; A523-I525 HydrophobicContact CB-CG1 4.4Å; I525-V534 HydrophobicContact CG2-CG1 3.51Å; I525-T535 CarbonylContact C-O 3.56Å; I525-T535 VanDerWaalsContact CA-O 3.27Å; I525-T535 WeakPolarHBondContact CA-O 3.32Å; I525-E536 HydrophobicContact CG1-CB 4.14Å; I525-E536 HydrophobicContact CG1-CG 4.22Å; I525-L558 HydrophobicContact CB-CD1 4.31Å; I525-L558 HydrophobicContact CG2-CD1 4.05Å; I525-L558 HydrophobicContact CG2-CD2 3.72Å; I525-I560 HydrophobicContact CB-CD1 4.06Å; I525-I560 HydrophobicContact CD1-CD1 3.48Å; I525-I560 VanDerWaalsContact CD1-CD1 3.48Å; I525-I560 HydrophobicContact CD1-CG1 4.1Å; I525-I560 HydrophobicContact CG1-CD1 3.67Å; I525-I566 HydrophobicContact CD1-CD1 3.73Å; I525-I566 HydrophobicContact CD1-CG1 3.86Å
526	T	97.8	Very high	86.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.4	173.6	63.5	0	0	0	0	111.7	L506 G513 L514 V534 T535 W537	L506-T526 HydrophobicContact CD2-CG2 4.04Å; G513-T526 CarbonylContact O-C 3.55Å; G513-T526 VanDerWaalsContact O-CA 3.24Å; G513-T526 WeakPolarHBondContact O-CA 3.38Å; L514-T526 HydrophobicContact CD1-CG2 4.01Å; T526-V534 WeakPolarHBondContact O-CA 3.19Å; T526-T535 PolarHBondContact N-O 2.88Å; T526-T535 PolarHBondContact O-N 2.88Å; T526-W537 PolarHBondContact OG1-NE1 3.41Å
527	L	98.5	Very high	87	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.5	173.2	174.6	63.9	0	0	0	110.4	A511 V512 G513 L533 V534 P555 L558 V568	A511-L527 CarbonylContact C-O 3.59Å; A511-L527 WeakPolarHBondContact CA-O 3.41Å; V512-L527 PolarHBondContact N-O 3.05Å; G513-L527 PolarHBondContact N-O 3.35Å; G513-L527 PolarHBondContact O-N 3.48Å; L527-L533 WeakPolarHBondContact CA-O 3.14Å; L527-V534 HydrophobicContact CD1-CG2 3.69Å; L527-P555 HydrophobicContact CD1-CB 3.89Å; L527-P555 HydrophobicContact CD1-CG 4.03Å; L527-P555 HydrophobicContact CD2-CB 3.99Å; L527-P555 HydrophobicContact CG-CB 4.45Å; L527-L558 HydrophobicContact CB-CD2 3.59Å; L527-L558 HydrophobicContact CB-CG 3.97Å; L527-V568 HydrophobicContact CD2-CG1 4.38Å
528	N	98.3	Very high	87.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.5	167.8	-173.7	-39.9	0	0	0	110.2	S505 A507 G510 R530 S531 K532 L533	S505-N528 WeakPolarHBondContact O-CB 3.16Å; S505-N528 PolarHBondContact O-ND2 2.89Å; A507-N528 PolarHBondContact O-ND2 2.76Å; G510-N528 VanDerWaalsContact C-OD1 3.29Å; G510-N528 WeakPolarHBondContact CA-OD1 3.31Å; G510-N528 CarbonylContact O-C 3.59Å; G510-N528 VanDerWaalsContact O-CA 3.25Å; G510-N528 WeakPolarHBondContact O-CA 3.32Å; G510-N528 PolarHBondContact O-OD1 2.79Å; N528-R530 VanDerWaalsContact C-N 3.28Å; N528-R530 PolarHBondContact O-N 3.05Å; N528-R530 WeakPolarHBondContact OD1-CB 3.48Å; N528-R530 PolarHBondContact OD1-N 3.49Å; N528-S531 VanDerWaalsContact CB-OG 3.28Å; N528-S531 WeakPolarHBondContact CB-OG 3.39Å; N528-S531 PolarHBondContact OD1-N 2.93Å; N528-S531 VanDerWaalsContact OD1-N 3.09Å; N528-S531 PolarHBondContact OD1-OG 3.22Å; N528-K532 CarbonylContact O-C 3.59Å; N528-K532 WeakPolarHBondContact O-CA 3.24Å; N528-K532 PolarHBondContact O-N 2.84Å; N528-L533 PolarHBondContact N-O 2.96Å; N528-L533 PolarHBondContact O-N 3.5Å
529	W	96.1	Very high	87.9	Confident	96 Å²	96	40.1 Å²	40.1	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.4	-175	75.9	-90.3	0	0	0	112.4	G510 V512 P555	G510-W529 PolarHBondContact O-N 2.61Å; V512-W529 HydrophobicContact CG2-CB 3.85Å; V512-W529 HydrophobicContact CG2-CG 4.25Å; W529-P555 WeakPolarHBondContact CA-O 3.43Å; W529-P555 WeakPolarHBondContact CB-O 3.43Å
530	R	95.3	Very high	88.9	Confident	153 Å²	153	44.6 Å²	44.6	58%	0.577	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-48.5	-174.5	-161.7	178.2	-165.2	81.6	-0.8	111.2	N528 K532	N528-R530 VanDerWaalsContact C-N 3.28Å; N528-R530 PolarHBondContact O-N 3.05Å; N528-R530 WeakPolarHBondContact OD1-CB 3.48Å; N528-R530 PolarHBondContact OD1-N 3.49Å; R530-K532 VanDerWaalsContact C-N 3.29Å
531	S	97.1	Very high	90.3	Very high	49 Å²	49	41.1 Å²	41.1	34%	0.343	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.1	173.6	63.1	0	0	0	0	112.8	N528 L533	N528-S531 VanDerWaalsContact CB-OG 3.28Å; N528-S531 WeakPolarHBondContact CB-OG 3.39Å; N528-S531 PolarHBondContact OD1-N 2.93Å; N528-S531 VanDerWaalsContact OD1-N 3.09Å; N528-S531 PolarHBondContact OD1-OG 3.22Å; S531-L533 PolarHBondContact O-N 3.29Å; S531-L533 WeakPolarHBondContact OG-CG 3.41Å
532	K	97.6	Very high	91.7	Very high	72 Å²	72	41.9 Å²	41.9	31%	0.313	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	28.1	-175.1	-53.5	177	-178.7	-174.1	0	112.7	N528 R530 T548 F552 V553 P555	N528-K532 CarbonylContact O-C 3.59Å; N528-K532 WeakPolarHBondContact O-CA 3.24Å; N528-K532 PolarHBondContact O-N 2.84Å; R530-K532 VanDerWaalsContact C-N 3.29Å; K532-T548 VanDerWaalsContact O-CB 3.3Å; K532-T548 WeakPolarHBondContact O-CB 3.43Å; K532-T548 PolarHBondContact O-OG1 3.45Å; K532-F552 HydrophobicContact CB-CB 4.38Å; K532-F552 HydrophobicContact CB-CD2 4.41Å; K532-F552 HydrophobicContact CD-CB 4.11Å; K532-F552 PolarHBondContact NZ-O 2.82Å; K532-V553 WeakPolarHBondContact CE-O 3.34Å; K532-P555 HydrophobicContact CB-CG 4.4Å; K532-P555 HydrophobicContact CG-CG 4.35Å
533	L	98	Very high	92.7	Very high	42 Å²	42	43.6 Å²	43.6	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.1	-179	-63.9	179	0	0	0	110.1	L527 N528 S531 T546	L527-L533 WeakPolarHBondContact CA-O 3.14Å; N528-L533 PolarHBondContact N-O 2.96Å; N528-L533 PolarHBondContact O-N 3.5Å; S531-L533 PolarHBondContact O-N 3.29Å; S531-L533 WeakPolarHBondContact OG-CG 3.41Å; L533-T546 HydrophobicContact CB-CG2 4.15Å; L533-T546 HydrophobicContact CD1-CG2 4.18Å; L533-T546 HydrophobicContact CD2-CG2 3.92Å; L533-T546 HydrophobicContact CG-CG2 4.29Å
534	V	98.1	Very high	93.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	164.6	179.1	0	0	0	0	106.9	I525 T526 L527 T546 F547 F552 L558 I566 V568	I525-V534 HydrophobicContact CG2-CG1 3.51Å; T526-V534 WeakPolarHBondContact O-CA 3.19Å; L527-V534 HydrophobicContact CD1-CG2 3.69Å; V534-T546 WeakPolarHBondContact O-CA 3.43Å; V534-F547 HydrophobicContact CB-CD1 3.96Å; V534-F547 HydrophobicContact CB-CE1 3.52Å; V534-F547 HydrophobicContact CB-CE2 4.21Å; V534-F547 HydrophobicContact CB-CG 4.5Å; V534-F547 HydrophobicContact CB-CZ 3.66Å; V534-F547 HydrophobicContact CG1-CD1 4.19Å; V534-F547 HydrophobicContact CG1-CE1 3.39Å; V534-F547 HydrophobicContact CG1-CZ 3.69Å; V534-F547 HydrophobicContact CG2-CE1 4.43Å; V534-F547 HydrophobicContact CG2-CE2 4.39Å; V534-F547 HydrophobicContact CG2-CZ 4.07Å; V534-F547 PolarHBondContact N-O 2.93Å; V534-F547 PolarHBondContact O-N 2.87Å; V534-F552 HydrophobicContact CG2-CE2 4.14Å; V534-L558 HydrophobicContact CG1-CD2 3.8Å; V534-L558 HydrophobicContact CG2-CD2 4.23Å; V534-I566 HydrophobicContact CG1-CG2 4.44Å; V534-V568 HydrophobicContact CG2-CG2 4.31Å
535	T	96.6	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.2	-172.8	-56.2	0	0	0	0	110.2	S505 I525 T526 W537 E543 K545 T546	S505-T535 WeakPolarHBondContact CB-OG1 3.41Å; S505-T535 PolarHBondContact OG-OG1 3.18Å; I525-T535 CarbonylContact C-O 3.56Å; I525-T535 VanDerWaalsContact CA-O 3.27Å; I525-T535 WeakPolarHBondContact CA-O 3.32Å; T526-T535 PolarHBondContact N-O 2.88Å; T526-T535 PolarHBondContact O-N 2.88Å; T535-W537 HydrophobicContact CG2-CD2 4.1Å; T535-W537 HydrophobicContact CG2-CG 4.49Å; T535-W537 HydrophobicContact CG2-CH2 4.4Å; T535-W537 HydrophobicContact CG2-CZ2 3.69Å; T535-W537 PolarHBondContact O-NE1 2.98Å; T535-E543 HydrophobicContact CG2-CB 4.35Å; T535-E543 HydrophobicContact CG2-CG 3.91Å; T535-K545 CarbonylContact C-O 3.54Å; T535-K545 WeakPolarHBondContact CA-O 3.27Å; T535-T546 VanDerWaalsContact CG2-OG1 3.26Å; T535-T546 WeakPolarHBondContact CG2-OG1 3.14Å; T535-T546 WeakPolarHBondContact OG1-CG2 3.32Å; T535-T546 PolarHBondContact OG1-OG1 3.38Å
536	E	93.9	Very high	93.2	Very high	32 Å²	32	51.9 Å²	51.9	15%	0.15	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.6	170	-176.7	177.4	-177.7	0	0	109.5	A523 L524 I525 V544 K545	A523-E536 HydrophobicContact CB-CG 4.21Å; A523-E536 WeakPolarHBondContact CB-OE1 3.28Å; L524-E536 CarbonylContact O-C 3.58Å; L524-E536 WeakPolarHBondContact O-CA 3.49Å; I525-E536 HydrophobicContact CG1-CB 4.14Å; I525-E536 HydrophobicContact CG1-CG 4.22Å; E536-V544 HydrophobicContact CB-CB 4.38Å; E536-V544 HydrophobicContact CG-CB 4.14Å; E536-V544 PolarHBondContact O-N 2.98Å; E536-K545 HydrophobicContact CB-CB 4.36Å; E536-K545 PolarHBondContact N-O 2.81Å; E536-K545 PolarHBondContact O-N 2.91Å; E536-K545 WeakPolarHBondContact OE2-CE 3.16Å; E536-K545 IonicContact OE2-NZ 3.26Å; E536-K545 PolarHBondContact OE2-NZ 3.5Å
537	W	92	Very high	93.2	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.023	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.5	-176.9	-55.8	85.7	0	0	0	109.9	I501 L506 L524 T526 T535 E542 E543	I501-W537 HydrophobicContact CG2-CD2 4.23Å; I501-W537 HydrophobicContact CG2-CE3 3.64Å; I501-W537 HydrophobicContact CG2-CH2 4.35Å; I501-W537 HydrophobicContact CG2-CZ3 3.69Å; L506-W537 HydrophobicContact CD1-CH2 4.24Å; L506-W537 HydrophobicContact CD1-CZ2 4.03Å; L506-W537 HydrophobicContact CD2-CZ2 4.18Å; L506-W537 HydrophobicContact CG-CH2 4.21Å; L506-W537 HydrophobicContact CG-CZ2 3.76Å; L524-W537 HydrophobicContact CB-CB 4.33Å; L524-W537 HydrophobicContact CD2-CB 4.1Å; L524-W537 HydrophobicContact CG-CB 4.24Å; L524-W537 PolarHBondContact O-N 2.85Å; T526-W537 PolarHBondContact OG1-NE1 3.41Å; T535-W537 HydrophobicContact CG2-CD2 4.1Å; T535-W537 HydrophobicContact CG2-CG 4.49Å; T535-W537 HydrophobicContact CG2-CH2 4.4Å; T535-W537 HydrophobicContact CG2-CZ2 3.69Å; T535-W537 PolarHBondContact O-NE1 2.98Å; W537-E542 CarbonylContact C-O 3.37Å; W537-E542 WeakPolarHBondContact CA-O 3.33Å; W537-E543 HydrophobicContact CD2-CG 4.37Å; W537-E543 HydrophobicContact CE3-CG 3.72Å; W537-E543 HydrophobicContact CH2-CG 3.52Å; W537-E543 VanDerWaalsContact CH2-OE1 3.28Å; W537-E543 WeakPolarHBondContact CH2-OE1 3.31Å; W537-E543 HydrophobicContact CZ2-CG 4.2Å; W537-E543 HydrophobicContact CZ3-CB 4.46Å; W537-E543 HydrophobicContact CZ3-CG 3.26Å
538	T	88.1	Confident	93.1	Very high	33 Å²	33	57 Å²	57	20%	0.202	28%	0.28	C	S	.	.			trans	-68.2	156.4	158.1	69.3	0	0	0	0	108.5	Q540 G541 E542 V544	T538-Q540 PolarHBondContact O-N 3.32Å; T538-Q540 PolarHBondContact OG1-N 3.09Å; T538-Q540 PolarHBondContact OG1-OE1 2.82Å; T538-G541 PolarHBondContact O-N 3.17Å; T538-G541 PolarHBondContact OG1-N 3.23Å; T538-E542 HydrophobicContact CG2-CB 4.11Å; T538-E542 PolarHBondContact N-O 3.47Å; T538-E542 WeakPolarHBondContact OG1-CB 3.42Å; T538-E542 PolarHBondContact OG1-N 3.43Å; T538-E542 PolarHBondContact OG1-O 3.35Å; T538-V544 HydrophobicContact CG2-CG2 3.33Å
539	W	81.4	Confident	93.1	Very high	39 Å²	39	59 Å²	59	15%	0.148	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.1	172.3	-73.3	97.7	0	0	0	111.3	F474 R499 I516 N522 L524 G541	F474-W539 HydrophobicContact CB-CH2 3.35Å; F474-W539 HydrophobicContact CB-CZ2 3.73Å; F474-W539 HydrophobicContact CB-CZ3 4.07Å; F474-W539 HydrophobicContact CD1-CD2 4.16Å; F474-W539 AromaticContact CD1-CE2 3.62Å; F474-W539 HydrophobicContact CD1-CE3 4.42Å; F474-W539 AromaticContact CD1-CH2 3.75Å; F474-W539 HydrophobicContact CD1-CH2 3.75Å; F474-W539 AromaticContact CD1-CZ2 3.41Å; F474-W539 HydrophobicContact CD1-CZ2 3.41Å; F474-W539 VanDerWaalsContact CD1-CZ2 3.41Å; F474-W539 HydrophobicContact CD1-CZ3 4.23Å; F474-W539 HydrophobicContact CD2-CZ2 4.22Å; F474-W539 AromaticContact CE1-CE2 3.99Å; F474-W539 HydrophobicContact CE1-CZ2 4.12Å; F474-W539 AromaticContact CG-CH2 3.69Å; F474-W539 HydrophobicContact CG-CH2 3.69Å; F474-W539 AromaticContact CG-CZ2 3.49Å; F474-W539 HydrophobicContact CG-CZ2 3.49Å; F474-W539 VanDerWaalsContact CG-CZ2 3.49Å; F474-W539 HydrophobicContact CG-CZ3 4.48Å; R499-W539 WeakPolarHBondContact CD-O 3.38Å; R499-W539 PolarHBondContact NH1-O 2.8Å; I516-W539 HydrophobicContact CD1-CH2 3.7Å; I516-W539 HydrophobicContact CG1-CH2 3.83Å; I516-W539 HydrophobicContact CG1-CZ2 4.38Å; I516-W539 HydrophobicContact CG2-CH2 3.9Å; I516-W539 HydrophobicContact CG2-CZ2 3.67Å; N522-W539 PolarHBondContact O-NE1 2.88Å; L524-W539 HydrophobicContact CB-CH2 4.47Å; L524-W539 HydrophobicContact CB-CZ2 4.38Å; L524-W539 HydrophobicContact CD1-CH2 4.32Å; L524-W539 HydrophobicContact CD1-CZ3 4.43Å; L524-W539 HydrophobicContact CD2-CE3 4.26Å; L524-W539 HydrophobicContact CD2-CZ3 4.28Å; W539-G541 PolarHBondContact O-N 3.17Å
540	Q	83.9	Confident	93.1	Very high	130 Å²	130	59.7 Å²	59.7	61%	0.607	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.9	176.2	-63.8	78.6	4.7	0	0	114	R499 T538	R499-Q540 VanDerWaalsContact NH1-CA 3.27Å; T538-Q540 PolarHBondContact O-N 3.32Å; T538-Q540 PolarHBondContact OG1-N 3.09Å; T538-Q540 PolarHBondContact OG1-OE1 2.82Å
541	G	85.4	Confident	93.1	Very high	19 Å²	19	56.6 Å²	56.6	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	95.2	14.7	178.8	0	0	0	0	0	114.8	T538 W539	T538-G541 PolarHBondContact O-N 3.17Å; T538-G541 PolarHBondContact OG1-N 3.23Å; W539-G541 PolarHBondContact O-N 3.17Å
542	E	90.6	Very high	93.2	Very high	136 Å²	136	54.5 Å²	54.5	64%	0.636	29%	0.285	S	S	*	.			trans	-89.2	137.5	174.9	-57.7	-179.5	161.3	0	0	110	W537 T538 V544	W537-E542 CarbonylContact C-O 3.37Å; W537-E542 WeakPolarHBondContact CA-O 3.33Å; T538-E542 HydrophobicContact CG2-CB 4.11Å; T538-E542 PolarHBondContact N-O 3.47Å; T538-E542 WeakPolarHBondContact OG1-CB 3.42Å; T538-E542 PolarHBondContact OG1-N 3.43Å; T538-E542 PolarHBondContact OG1-O 3.35Å; E542-V544 PolarHBondContact O-N 2.95Å
543	E	90.9	Very high	93.1	Very high	83 Å²	83	54.6 Å²	54.6	39%	0.388	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.7	174.3	-66.8	-170	169.5	0	0	109.8	S505 T535 W537	S505-E543 WeakPolarHBondContact CB-OE1 3.28Å; S505-E543 PolarHBondContact OG-OE1 3Å; T535-E543 HydrophobicContact CG2-CB 4.35Å; T535-E543 HydrophobicContact CG2-CG 3.91Å; W537-E543 HydrophobicContact CD2-CG 4.37Å; W537-E543 HydrophobicContact CE3-CG 3.72Å; W537-E543 HydrophobicContact CH2-CG 3.52Å; W537-E543 VanDerWaalsContact CH2-OE1 3.28Å; W537-E543 WeakPolarHBondContact CH2-OE1 3.31Å; W537-E543 HydrophobicContact CZ2-CG 4.2Å; W537-E543 HydrophobicContact CZ3-CB 4.46Å; W537-E543 HydrophobicContact CZ3-CG 3.26Å
544	V	90.8	Very high	93	Very high	82 Å²	82	55.9 Å²	55.9	50%	0.497	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-48	176.7	178.8	0	0	0	0	110.3	E536 T538 E542	E536-V544 HydrophobicContact CB-CB 4.38Å; E536-V544 HydrophobicContact CG-CB 4.14Å; E536-V544 PolarHBondContact O-N 2.98Å; T538-V544 HydrophobicContact CG2-CG2 3.33Å; E542-V544 PolarHBondContact O-N 2.95Å
545	K	90.9	Very high	93	Very high	59 Å²	59	55.9 Å²	55.9	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	132.1	-174.2	179.8	-178.3	66.4	-127	0	109.8	T535 E536 R581 A583	T535-K545 CarbonylContact C-O 3.54Å; T535-K545 WeakPolarHBondContact CA-O 3.27Å; E536-K545 HydrophobicContact CB-CB 4.36Å; E536-K545 PolarHBondContact N-O 2.81Å; E536-K545 PolarHBondContact O-N 2.91Å; E536-K545 WeakPolarHBondContact OE2-CE 3.16Å; E536-K545 IonicContact OE2-NZ 3.26Å; E536-K545 PolarHBondContact OE2-NZ 3.5Å; K545-R581 PolarHBondContact NZ-O 3.3Å; K545-A583 HydrophobicContact CD-CB 4.39Å
546	T	95.7	Very high	93	Very high	55 Å²	55	57.7 Å²	57.7	34%	0.337	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.2	175.7	-59.5	0	0	0	0	109.1	L533 V534 T535	L533-T546 HydrophobicContact CB-CG2 4.15Å; L533-T546 HydrophobicContact CD1-CG2 4.18Å; L533-T546 HydrophobicContact CD2-CG2 3.92Å; L533-T546 HydrophobicContact CG-CG2 4.29Å; V534-T546 WeakPolarHBondContact O-CA 3.43Å; T535-T546 VanDerWaalsContact CG2-OG1 3.26Å; T535-T546 WeakPolarHBondContact CG2-OG1 3.14Å; T535-T546 WeakPolarHBondContact OG1-CG2 3.32Å; T535-T546 PolarHBondContact OG1-OG1 3.38Å
547	F	97	Very high	93.2	Very high	29 Å²	29	56.5 Å²	56.5	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.1	175.1	75.9	-84.3	0	0	0	112.1	V534 I566 F579 A583	V534-F547 HydrophobicContact CB-CD1 3.96Å; V534-F547 HydrophobicContact CB-CE1 3.52Å; V534-F547 HydrophobicContact CB-CE2 4.21Å; V534-F547 HydrophobicContact CB-CG 4.5Å; V534-F547 HydrophobicContact CB-CZ 3.66Å; V534-F547 HydrophobicContact CG1-CD1 4.19Å; V534-F547 HydrophobicContact CG1-CE1 3.39Å; V534-F547 HydrophobicContact CG1-CZ 3.69Å; V534-F547 HydrophobicContact CG2-CE1 4.43Å; V534-F547 HydrophobicContact CG2-CE2 4.39Å; V534-F547 HydrophobicContact CG2-CZ 4.07Å; V534-F547 PolarHBondContact N-O 2.93Å; V534-F547 PolarHBondContact O-N 2.87Å; F547-I566 HydrophobicContact CE1-CD1 4.08Å; F547-I566 HydrophobicContact CZ-CD1 4.39Å; F547-F579 HydrophobicContact CE2-CD1 4.1Å; F547-F579 HydrophobicContact CE2-CE1 4.07Å; F547-F579 HydrophobicContact CE2-CG 4.38Å; F547-F579 HydrophobicContact CE2-CZ 4.29Å; F547-F579 HydrophobicContact CZ-CG 4.39Å; F547-A583 HydrophobicContact CB-CB 4.23Å; F547-A583 HydrophobicContact CD1-CB 3.36Å; F547-A583 HydrophobicContact CD2-CB 3.93Å; F547-A583 HydrophobicContact CE1-CB 3.5Å; F547-A583 VanDerWaalsContact CE1-CB 3.5Å; F547-A583 HydrophobicContact CE2-CB 4.07Å; F547-A583 HydrophobicContact CG-CB 3.58Å; F547-A583 HydrophobicContact CZ-CB 3.86Å
548	T	97.5	Very high	93.4	Very high	79 Å²	79	56.4 Å²	56.4	49%	0.485	30%	0.3	S	S	.	.			trans	-133	167.7	167.8	-167.5	0	0	0	0	108.8	K532	K532-T548 VanDerWaalsContact O-CB 3.3Å; K532-T548 WeakPolarHBondContact O-CB 3.43Å; K532-T548 PolarHBondContact O-OG1 3.45Å
549	F	97.8	Very high	93.8	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.197	30%	0.295	C	S	.	.			trans	-130.2	131.8	178.4	-171.1	-128	0	0	0	109.9	E551 F552 F577 F579 P585	F549-E551 HydrophobicContact CD1-CB 3.75Å; F549-E551 HydrophobicContact CD1-CG 4.31Å; F549-E551 HydrophobicContact CE1-CB 3.49Å; F549-E551 VanDerWaalsContact CE1-CB 3.49Å; F549-E551 HydrophobicContact CE1-CG 3.65Å; F549-E551 HydrophobicContact CZ-CB 4.26Å; F549-E551 HydrophobicContact CZ-CG 3.93Å; F549-E551 PolarHBondContact O-N 2.77Å; F549-E551 VanDerWaalsContact O-N 3.11Å; F549-F552 HydrophobicContact CB-CD1 4.14Å; F549-F552 HydrophobicContact CB-CD2 3.72Å; F549-F552 HydrophobicContact CB-CE1 4.01Å; F549-F552 HydrophobicContact CB-CE2 3.59Å; F549-F552 HydrophobicContact CB-CG 3.99Å; F549-F552 HydrophobicContact CB-CZ 3.74Å; F549-F552 HydrophobicContact CD1-CD1 4.24Å; F549-F552 HydrophobicContact CD1-CE1 4.15Å; F549-F552 WeakPolarHBondContact O-CB 3.38Å; F549-F552 PolarHBondContact O-N 2.83Å; F549-F577 HydrophobicContact CD1-CD1 4.08Å; F549-F577 HydrophobicContact CD1-CE1 4.23Å; F549-F577 AromaticContact CE1-CD1 3.67Å; F549-F577 HydrophobicContact CE1-CD1 3.67Å; F549-F577 AromaticContact CE1-CE1 3.72Å; F549-F577 HydrophobicContact CE1-CE1 3.72Å; F549-F579 HydrophobicContact CB-CE1 4.16Å; F549-F579 HydrophobicContact CB-CZ 3.98Å; F549-F579 HydrophobicContact CD1-CE1 4.16Å; F549-F579 AromaticContact CD1-CZ 3.83Å; F549-F579 HydrophobicContact CD1-CZ 3.83Å; F549-F579 HydrophobicContact CD2-CE1 4.05Å; F549-F579 HydrophobicContact CD2-CZ 4.49Å; F549-F579 HydrophobicContact CE1-CZ 4.45Å; F549-F579 AromaticContact CG-CE1 3.87Å; F549-F579 HydrophobicContact CG-CE1 3.87Å; F549-F579 AromaticContact CG-CZ 3.86Å; F549-F579 HydrophobicContact CG-CZ 3.86Å; F549-P585 HydrophobicContact CE2-CB 4.08Å; F549-P585 HydrophobicContact CE2-CG 3.95Å; F549-P585 HydrophobicContact CZ-CB 4.1Å; F549-P585 HydrophobicContact CZ-CG 4.37Å
550	S	96.1	Very high	94.4	Very high	109 Å²	109	54.6 Å²	54.6	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	-173.2	55.3	0	0	0	0	113.7	F552	S550-F552 VanDerWaalsContact C-N 3.34Å
551	E	96.7	Very high	94.7	Very high	89 Å²	89	48.7 Å²	48.7	42%	0.416	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.8	178.3	-61.4	-64.5	131.1	0	0	113.9	F549 V553 F577	F549-E551 HydrophobicContact CD1-CB 3.75Å; F549-E551 HydrophobicContact CD1-CG 4.31Å; F549-E551 HydrophobicContact CE1-CB 3.49Å; F549-E551 VanDerWaalsContact CE1-CB 3.49Å; F549-E551 HydrophobicContact CE1-CG 3.65Å; F549-E551 HydrophobicContact CZ-CB 4.26Å; F549-E551 HydrophobicContact CZ-CG 3.93Å; F549-E551 PolarHBondContact O-N 2.77Å; F549-E551 VanDerWaalsContact O-N 3.11Å; E551-V553 PolarHBondContact O-N 2.75Å; E551-F577 HydrophobicContact CB-CE1 3.88Å; E551-F577 HydrophobicContact CB-CZ 3.83Å
552	F	97.9	Very high	94.8	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.281	C	S	.	.			trans	-67.3	127.5	176.4	-70.6	-23.9	0	0	0	111.1	K532 V534 F549 S550 P555 V568 D570 F577 F579	K532-F552 HydrophobicContact CB-CB 4.38Å; K532-F552 HydrophobicContact CB-CD2 4.41Å; K532-F552 HydrophobicContact CD-CB 4.11Å; K532-F552 PolarHBondContact NZ-O 2.82Å; V534-F552 HydrophobicContact CG2-CE2 4.14Å; F549-F552 HydrophobicContact CB-CD1 4.14Å; F549-F552 HydrophobicContact CB-CD2 3.72Å; F549-F552 HydrophobicContact CB-CE1 4.01Å; F549-F552 HydrophobicContact CB-CE2 3.59Å; F549-F552 HydrophobicContact CB-CG 3.99Å; F549-F552 HydrophobicContact CB-CZ 3.74Å; F549-F552 HydrophobicContact CD1-CD1 4.24Å; F549-F552 HydrophobicContact CD1-CE1 4.15Å; F549-F552 WeakPolarHBondContact O-CB 3.38Å; F549-F552 PolarHBondContact O-N 2.83Å; S550-F552 VanDerWaalsContact C-N 3.34Å; F552-P555 HydrophobicContact CB-CG 4.16Å; F552-P555 HydrophobicContact CD1-CB 4.38Å; F552-P555 HydrophobicContact CD2-CG 4.32Å; F552-P555 HydrophobicContact CG-CB 4.32Å; F552-P555 HydrophobicContact CG-CG 4.19Å; F552-V568 HydrophobicContact CE1-CB 4.17Å; F552-V568 HydrophobicContact CE1-CG1 3.81Å; F552-V568 HydrophobicContact CZ-CB 4.12Å; F552-V568 HydrophobicContact CZ-CG1 3.82Å; F552-V568 HydrophobicContact CZ-CG2 4.15Å; F552-D570 WeakPolarHBondContact CA-OD2 3.25Å; F552-F577 HydrophobicContact CD1-CD2 4.03Å; F552-F577 HydrophobicContact CD1-CE2 4.17Å; F552-F577 HydrophobicContact CE1-CB 4.25Å; F552-F577 AromaticContact CE1-CD2 3.83Å; F552-F577 HydrophobicContact CE1-CD2 3.83Å; F552-F577 HydrophobicContact CE1-CE2 4.42Å; F552-F577 HydrophobicContact CE1-CG 4.13Å; F552-F579 HydrophobicContact CE1-CE2 4.15Å; F552-F579 AromaticContact CE1-CZ 3.95Å; F552-F579 HydrophobicContact CE1-CZ 3.95Å; F552-F579 AromaticContact CZ-CE2 3.82Å; F552-F579 HydrophobicContact CZ-CE2 3.82Å; F552-F579 AromaticContact CZ-CZ 3.65Å; F552-F579 HydrophobicContact CZ-CZ 3.65Å
553	V	96.4	Very high	94.6	Very high	74 Å²	74	49.1 Å²	49.1	45%	0.448	27%	0.267	S	S	.	.	S	Bend	trans	-109.2	-59.7	175.4	178.8	0	0	0	0	108.9	K532 E551 D570	K532-V553 WeakPolarHBondContact CE-O 3.34Å; E551-V553 PolarHBondContact O-N 2.75Å; V553-D570 PolarHBondContact N-OD2 2.8Å
554	E	95.9	Very high	94.6	Very high	70 Å²	70	45.6 Å²	45.6	33%	0.327	25%	0.252	S	S	.	.			trans	-143.3	73.3	179.6	-170.3	-169.6	140.7	0	0	109.3	I556 D570 N571	E554-I556 PolarHBondContact O-N 2.99Å; E554-D570 PolarHBondContact N-OD1 3.39Å; E554-D570 VanDerWaalsContact N-OD1 3.13Å; E554-D570 PolarHBondContact N-OD2 2.91Å; E554-D570 VanDerWaalsContact N-OD2 3.15Å; E554-D570 WeakPolarHBondContact O-CA 3.23Å; E554-N571 PolarHBondContact O-N 2.82Å; E554-N571 PolarHBondContact OE1-ND2 2.83Å
555	P	97.8	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.1	177	31.6	-34.5	0	0	0	108.8	L527 W529 K532 F552 V568 L569	L527-P555 HydrophobicContact CD1-CB 3.89Å; L527-P555 HydrophobicContact CD1-CG 4.03Å; L527-P555 HydrophobicContact CD2-CB 3.99Å; L527-P555 HydrophobicContact CG-CB 4.45Å; W529-P555 WeakPolarHBondContact CA-O 3.43Å; W529-P555 WeakPolarHBondContact CB-O 3.43Å; K532-P555 HydrophobicContact CB-CG 4.4Å; K532-P555 HydrophobicContact CG-CG 4.35Å; F552-P555 HydrophobicContact CB-CG 4.16Å; F552-P555 HydrophobicContact CD1-CB 4.38Å; F552-P555 HydrophobicContact CD2-CG 4.32Å; F552-P555 HydrophobicContact CG-CB 4.32Å; F552-P555 HydrophobicContact CG-CG 4.19Å; P555-V568 HydrophobicContact CB-CG1 3.9Å; P555-L569 CarbonylContact C-O 3.49Å; P555-L569 WeakPolarHBondContact CA-O 3.47Å
556	I	95.9	Very high	94.9	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.195	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-28.2	-166.9	-162.4	61.8	0	0	0	113.7	V512 E554 L569 N571	V512-I556 WeakPolarHBondContact CG2-O 3.48Å; E554-I556 PolarHBondContact O-N 2.99Å; I556-L569 HydrophobicContact CG2-CB 4.35Å; I556-L569 HydrophobicContact CG2-CD2 3.72Å; I556-L569 HydrophobicContact CG2-CG 3.8Å; I556-L569 PolarHBondContact N-O 2.88Å; I556-N571 HydrophobicContact CB-CB 4.36Å; I556-N571 HydrophobicContact CG2-CB 4.22Å
557	D	97.7	Very high	95	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163	178.7	-155	9.7	0	0	0	111	R470 L569 C615 V616	R470-D557 IonicContact CZ-OD1 3.41Å; R470-D557 IonicContact CZ-OD2 3.78Å; R470-D557 IonicContact NE-OD1 3.09Å; R470-D557 PolarHBondContact NE-OD1 3.42Å; R470-D557 IonicContact NE-OD2 3.52Å; R470-D557 PolarHBondContact NE-OD2 3.45Å; R470-D557 VanDerWaalsContact NH2-CG 3.33Å; R470-D557 IonicContact NH2-OD1 3.94Å; R470-D557 IonicContact NH2-OD2 3.98Å; R470-D557 PolarHBondContact NH2-OD2 3.12Å; D557-L569 PolarHBondContact O-N 2.86Å; D557-C615 WeakPolarHBondContact OD2-CA 3.38Å; D557-C615 VanDerWaalsContact OD2-CB 3.23Å; D557-C615 WeakPolarHBondContact OD2-CB 3.36Å; D557-V616 HydrophobicContact CB-CG1 4.24Å; D557-V616 PolarHBondContact OD2-N 3.41Å
558	L	97.9	Very high	95.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.2	174.4	63.7	71.4	0	0	0	112.8	A515 I525 L527 V534 I567 V568	A515-L558 HydrophobicContact CB-CD1 3.37Å; I525-L558 HydrophobicContact CB-CD1 4.31Å; I525-L558 HydrophobicContact CG2-CD1 4.05Å; I525-L558 HydrophobicContact CG2-CD2 3.72Å; L527-L558 HydrophobicContact CB-CD2 3.59Å; L527-L558 HydrophobicContact CB-CG 3.97Å; V534-L558 HydrophobicContact CG1-CD2 3.8Å; V534-L558 HydrophobicContact CG2-CD2 4.23Å; L558-I567 CarbonylContact C-O 3.45Å; L558-I567 WeakPolarHBondContact CA-O 3.37Å; L558-I567 VanDerWaalsContact CB-O 3.32Å; L558-I567 WeakPolarHBondContact CB-O 3.43Å; L558-V568 HydrophobicContact CB-CG2 4.13Å
559	T	96.2	Very high	95.1	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168	174.5	-167.4	0	0	0	0	110.6	I567 V616 V618	T559-I567 HydrophobicContact CG2-CB 3.81Å; T559-I567 HydrophobicContact CG2-CD1 4.21Å; T559-I567 HydrophobicContact CG2-CG2 4.17Å; T559-I567 PolarHBondContact N-O 2.86Å; T559-I567 PolarHBondContact O-N 3.37Å; T559-V616 HydrophobicContact CG2-CG1 4.17Å; T559-V616 HydrophobicContact CG2-CG2 4.14Å; T559-V618 HydrophobicContact CG2-CG2 3.62Å
560	I	93.4	Very high	95.1	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.4	179.1	-56.8	166.2	0	0	0	107.6	A515 I525 R565	A515-I560 HydrophobicContact CB-CD1 4.09Å; A515-I560 HydrophobicContact CB-CG1 3.99Å; I525-I560 HydrophobicContact CB-CD1 4.06Å; I525-I560 HydrophobicContact CD1-CD1 3.48Å; I525-I560 VanDerWaalsContact CD1-CD1 3.48Å; I525-I560 HydrophobicContact CD1-CG1 4.1Å; I525-I560 HydrophobicContact CG1-CD1 3.67Å; I560-R565 WeakPolarHBondContact CA-O 3.49Å
561	D	90.6	Very high	95	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.032	14%	0.142	C	C	.	.			trans	-88	178.6	176.9	76.2	4.8	0	0	0	113.1	D563 G564 R565 I567 V618	D561-D563 PolarHBondContact O-N 3.01Å; D561-D563 WeakPolarHBondContact OD1-CA 3.37Å; D561-D563 PolarHBondContact OD1-N 3.39Å; D561-G564 WeakPolarHBondContact O-CA 3.38Å; D561-G564 PolarHBondContact O-N 3.06Å; D561-G564 PolarHBondContact OD1-N 3.46Å; D561-R565 PolarHBondContact N-O 2.87Å; D561-R565 WeakPolarHBondContact OD1-CB 3.38Å; D561-R565 PolarHBondContact OD1-N 3.24Å; D561-R565 IonicContact OD1-NE 2.78Å; D561-R565 IonicContact OD2-CZ 3.99Å; D561-R565 IonicContact OD2-NE 3.44Å; D561-R565 PolarHBondContact OD2-NE 2.84Å; D561-R565 IonicContact OD2-NH2 2.72Å; D561-R565 PolarHBondContact OD2-NH2 3.31Å; D561-I567 HydrophobicContact CB-CD1 4.2Å; D561-V618 HydrophobicContact CB-CG1 4.16Å; D561-V618 HydrophobicContact CB-CG2 4.02Å
562	L	86.2	Confident	94.8	Very high	99 Å²	99	24.9 Å²	24.9	52%	0.518	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.3	-179.9	-63.1	176.4	0	0	0	113.9	V519 G564	V519-L562 WeakPolarHBondContact CG2-O 3.43Å; L562-G564 VanDerWaalsContact C-N 3.27Å
563	D	87.2	Confident	94.5	Very high	65 Å²	65	30.6 Å²	30.6	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4	174.1	-57.1	-45.8	0	0	0	111	D561 R565 R581 R622	D561-D563 PolarHBondContact O-N 3.01Å; D561-D563 WeakPolarHBondContact OD1-CA 3.37Å; D561-D563 PolarHBondContact OD1-N 3.39Å; D563-R565 VanDerWaalsContact C-N 3.33Å; D563-R565 HydrophobicContact CB-CG 4.34Å; D563-R581 VanDerWaalsContact C-NH2 3.35Å; D563-R581 VanDerWaalsContact O-CZ 3.29Å; D563-R581 PolarHBondContact O-NE 2.81Å; D563-R581 PolarHBondContact O-NH2 2.76Å; D563-R622 IonicContact OD1-CZ 2.97Å; D563-R622 IonicContact OD1-NH1 3.84Å; D563-R622 PolarHBondContact OD1-NH1 2.87Å; D563-R622 IonicContact OD1-NH2 2.84Å; D563-R622 IonicContact OD2-CZ 3.35Å; D563-R622 IonicContact OD2-NH1 2.88Å; D563-R622 PolarHBondContact OD2-NH1 2.8Å
564	G	90.1	Very high	94.4	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	15%	0.15	C	C	.	.			trans	75.7	19.8	-175.6	0	0	0	0	0	113.1	D561 L562 R581	D561-G564 WeakPolarHBondContact O-CA 3.38Å; D561-G564 PolarHBondContact O-N 3.06Å; D561-G564 PolarHBondContact OD1-N 3.46Å; L562-G564 VanDerWaalsContact C-N 3.27Å; G564-R581 WeakPolarHBondContact O-CG 3.24Å
565	R	93.5	Very high	94.4	Very high	30 Å²	30	27.7 Å²	27.7	11%	0.113	15%	0.147	C	C	.	.			trans	-71.3	133.8	171.3	-62.1	-177.5	-64.8	162.7	8.4	108.8	I560 D561 D563 V578 F579 L586 H636	I560-R565 WeakPolarHBondContact CA-O 3.49Å; D561-R565 PolarHBondContact N-O 2.87Å; D561-R565 WeakPolarHBondContact OD1-CB 3.38Å; D561-R565 PolarHBondContact OD1-N 3.24Å; D561-R565 IonicContact OD1-NE 2.78Å; D561-R565 IonicContact OD2-CZ 3.99Å; D561-R565 IonicContact OD2-NE 3.44Å; D561-R565 PolarHBondContact OD2-NE 2.84Å; D561-R565 IonicContact OD2-NH2 2.72Å; D561-R565 PolarHBondContact OD2-NH2 3.31Å; D563-R565 VanDerWaalsContact C-N 3.33Å; D563-R565 HydrophobicContact CB-CG 4.34Å; R565-V578 HydrophobicContact CB-CG1 4.01Å; R565-F579 CarbonylContact C-O 3.47Å; R565-F579 WeakPolarHBondContact CA-O 3.34Å; R565-F579 WeakPolarHBondContact CB-O 3.44Å; R565-L586 HydrophobicContact CG-CD1 4.02Å; R565-H636 PolarHBondContact NH1-O 2.84Å; R565-H636 PolarHBondContact NH2-O 3.45Å
566	I	95.6	Very high	94.5	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.3	176.7	-52.5	169.3	0	0	0	107	I525 V534 F547 V568 V578 F579	I525-I566 HydrophobicContact CD1-CD1 3.73Å; I525-I566 HydrophobicContact CD1-CG1 3.86Å; V534-I566 HydrophobicContact CG1-CG2 4.44Å; F547-I566 HydrophobicContact CE1-CD1 4.08Å; F547-I566 HydrophobicContact CZ-CD1 4.39Å; I566-V568 HydrophobicContact CG2-CG2 4.09Å; I566-V578 CarbonylContact O-C 3.59Å; I566-V578 WeakPolarHBondContact O-CA 3.49Å; I566-F579 HydrophobicContact CB-CB 4.27Å; I566-F579 PolarHBondContact N-O 2.79Å; I566-F579 PolarHBondContact O-N 2.73Å
567	I	97.9	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.1	-176.7	-61.4	166.6	0	0	0	107.4	L558 T559 D561 V576 F577 V578 V616 V618 I624	L558-I567 CarbonylContact C-O 3.45Å; L558-I567 WeakPolarHBondContact CA-O 3.37Å; L558-I567 VanDerWaalsContact CB-O 3.32Å; L558-I567 WeakPolarHBondContact CB-O 3.43Å; T559-I567 HydrophobicContact CG2-CB 3.81Å; T559-I567 HydrophobicContact CG2-CD1 4.21Å; T559-I567 HydrophobicContact CG2-CG2 4.17Å; T559-I567 PolarHBondContact N-O 2.86Å; T559-I567 PolarHBondContact O-N 3.37Å; D561-I567 HydrophobicContact CB-CD1 4.2Å; I567-V576 HydrophobicContact CG2-CG1 3.4Å; I567-F577 WeakPolarHBondContact CA-O 3.37Å; I567-V578 HydrophobicContact CG1-CG1 4.24Å; I567-V578 HydrophobicContact CG1-CG2 4.33Å; I567-V616 HydrophobicContact CG2-CG2 4.07Å; I567-V618 HydrophobicContact CD1-CG2 3.8Å; I567-I624 HydrophobicContact CD1-CD1 4Å; I567-I624 HydrophobicContact CD1-CG1 4.06Å; I567-I624 HydrophobicContact CG2-CD1 4.31Å; I567-I624 HydrophobicContact CG2-CG2 4.15Å
568	V	98.6	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.7	-176.5	-176.7	0	0	0	0	109.6	L527 V534 F552 P555 L558 I566 V576 F577 F579	L527-V568 HydrophobicContact CD2-CG1 4.38Å; V534-V568 HydrophobicContact CG2-CG2 4.31Å; F552-V568 HydrophobicContact CE1-CB 4.17Å; F552-V568 HydrophobicContact CE1-CG1 3.81Å; F552-V568 HydrophobicContact CZ-CB 4.12Å; F552-V568 HydrophobicContact CZ-CG1 3.82Å; F552-V568 HydrophobicContact CZ-CG2 4.15Å; P555-V568 HydrophobicContact CB-CG1 3.9Å; L558-V568 HydrophobicContact CB-CG2 4.13Å; I566-V568 HydrophobicContact CG2-CG2 4.09Å; V568-V576 CarbonylContact O-C 3.49Å; V568-V576 WeakPolarHBondContact O-CA 3.37Å; V568-F577 PolarHBondContact N-O 2.87Å; V568-F577 PolarHBondContact O-N 2.91Å; V568-F579 HydrophobicContact CB-CE2 4.24Å; V568-F579 HydrophobicContact CG2-CD2 4.17Å; V568-F579 HydrophobicContact CG2-CE2 3.88Å
569	L	98.5	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.9	173.7	174.6	63.5	0	0	0	110	P555 I556 D557 V576 L591 F613 C615 V616 V626	P555-L569 CarbonylContact C-O 3.49Å; P555-L569 WeakPolarHBondContact CA-O 3.47Å; I556-L569 HydrophobicContact CG2-CB 4.35Å; I556-L569 HydrophobicContact CG2-CD2 3.72Å; I556-L569 HydrophobicContact CG2-CG 3.8Å; I556-L569 PolarHBondContact N-O 2.88Å; D557-L569 PolarHBondContact O-N 2.86Å; L569-V576 HydrophobicContact CD1-CG2 4.13Å; L569-L591 HydrophobicContact CD1-CD1 3.47Å; L569-L591 VanDerWaalsContact CD1-CD1 3.47Å; L569-F613 HydrophobicContact CD1-CB 3.94Å; L569-F613 HydrophobicContact CD2-CB 3.95Å; L569-F613 HydrophobicContact CG-CB 4.31Å; L569-C615 VanDerWaalsContact CD2-C 3.5Å; L569-C615 WeakPolarHBondContact CD2-O 3.49Å; L569-V616 HydrophobicContact CB-CB 3.96Å; L569-V616 HydrophobicContact CB-CG1 3.77Å; L569-V616 HydrophobicContact CD2-CB 4.24Å; L569-V626 HydrophobicContact CD1-CG1 3.94Å; L569-V626 HydrophobicContact CD2-CG1 4.12Å
570	D	97.4	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.2	174.7	-166.5	-62.1	0	0	0	110.8	F552 V553 E554 G572 R573 A574 K575 F577	F552-D570 WeakPolarHBondContact CA-OD2 3.25Å; V553-D570 PolarHBondContact N-OD2 2.8Å; E554-D570 PolarHBondContact N-OD1 3.39Å; E554-D570 VanDerWaalsContact N-OD1 3.13Å; E554-D570 PolarHBondContact N-OD2 2.91Å; E554-D570 VanDerWaalsContact N-OD2 3.15Å; E554-D570 WeakPolarHBondContact O-CA 3.23Å; D570-G572 PolarHBondContact OD1-N 3Å; D570-G572 VanDerWaalsContact OD1-N 3.13Å; D570-R573 HydrophobicContact CB-CB 4.24Å; D570-R573 WeakPolarHBondContact OD1-CB 3.23Å; D570-R573 PolarHBondContact OD1-N 2.82Å; D570-A574 WeakPolarHBondContact O-CA 3.16Å; D570-A574 PolarHBondContact O-N 2.88Å; D570-K575 PolarHBondContact N-O 2.84Å; D570-K575 PolarHBondContact O-N 3.11Å; D570-F577 HydrophobicContact CB-CD2 4.02Å; D570-F577 HydrophobicContact CB-CE2 3.7Å
571	N	94.1	Very high	94.3	Very high	39 Å²	39	30.2 Å²	30.2	21%	0.209	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-42.2	-177.7	-179.2	45.5	0	0	0	111.4	E554 I556 R573 A574 G612 F613	E554-N571 PolarHBondContact O-N 2.82Å; E554-N571 PolarHBondContact OE1-ND2 2.83Å; I556-N571 HydrophobicContact CB-CB 4.36Å; I556-N571 HydrophobicContact CG2-CB 4.22Å; N571-R573 PolarHBondContact O-N 3.26Å; N571-A574 PolarHBondContact O-N 2.98Å; N571-G612 VanDerWaalsContact OD1-CA 3.23Å; N571-G612 WeakPolarHBondContact OD1-CA 3.22Å; N571-F613 PolarHBondContact OD1-N 2.6Å
572	G	91.9	Very high	94.3	Very high	39 Å²	39	38.5 Å²	38.5	40%	0.402	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.6	-178.6	0	0	0	0	0	112.6	D570	D570-G572 PolarHBondContact OD1-N 3Å; D570-G572 VanDerWaalsContact OD1-N 3.13Å
573	R	92	Very high	94.6	Very high	124 Å²	124	34.6 Å²	34.6	47%	0.468	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13	173.4	-141.4	72.1	177.3	97.5	-4.6	114	D570 N571 K575 F577	D570-R573 HydrophobicContact CB-CB 4.24Å; D570-R573 WeakPolarHBondContact OD1-CB 3.23Å; D570-R573 PolarHBondContact OD1-N 2.82Å; N571-R573 PolarHBondContact O-N 3.26Å; R573-K575 VanDerWaalsContact C-N 3.27Å; R573-K575 HydrophobicContact CB-CB 4.21Å; R573-K575 HydrophobicContact CB-CG 4.31Å; R573-K575 HydrophobicContact CG-CB 4.5Å; R573-K575 HydrophobicContact CG-CD 3.98Å; R573-K575 HydrophobicContact CG-CG 4.19Å; R573-K575 PolarHBondContact O-N 2.91Å; R573-F577 HydrophobicContact CB-CE2 4.49Å; R573-F577 HydrophobicContact CG-CZ 4.42Å
574	A	94.4	Very high	95	Very high	22 Å²	22	38 Å²	38	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	48.6	-167.7	0	0	0	0	0	111.5	D570 N571 L591 F613	D570-A574 WeakPolarHBondContact O-CA 3.16Å; D570-A574 PolarHBondContact O-N 2.88Å; N571-A574 PolarHBondContact O-N 2.98Å; A574-L591 PolarHBondContact O-N 3.04Å; A574-F613 HydrophobicContact CB-CD2 4.35Å; A574-F613 HydrophobicContact CB-CE2 3.77Å
575	K	96.5	Very high	95.4	Very high	61 Å²	61	41.1 Å²	41.1	27%	0.265	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.8	-176.6	-74	-169.9	175.4	-170.9	0	111.9	D570 R573 F577 F589	D570-K575 PolarHBondContact N-O 2.84Å; D570-K575 PolarHBondContact O-N 3.11Å; R573-K575 VanDerWaalsContact C-N 3.27Å; R573-K575 HydrophobicContact CB-CB 4.21Å; R573-K575 HydrophobicContact CB-CG 4.31Å; R573-K575 HydrophobicContact CG-CB 4.5Å; R573-K575 HydrophobicContact CG-CD 3.98Å; R573-K575 HydrophobicContact CG-CG 4.19Å; R573-K575 PolarHBondContact O-N 2.91Å; K575-F577 HydrophobicContact CB-CE2 4.16Å; K575-F577 HydrophobicContact CB-CZ 4.37Å; K575-F577 HydrophobicContact CD-CZ 4.32Å; K575-F589 VanDerWaalsContact CA-O 3.32Å; K575-F589 WeakPolarHBondContact CA-O 3.48Å; K575-F589 WeakPolarHBondContact CB-O 3.48Å
576	V	98.6	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.2	160.3	175.9	0	0	0	0	108.9	I567 V568 L569 V578 S588 F589 L591 V626	I567-V576 HydrophobicContact CG2-CG1 3.4Å; V568-V576 CarbonylContact O-C 3.49Å; V568-V576 WeakPolarHBondContact O-CA 3.37Å; L569-V576 HydrophobicContact CD1-CG2 4.13Å; V576-V578 HydrophobicContact CG1-CG2 4.19Å; V576-S588 CarbonylContact O-C 3.53Å; V576-S588 WeakPolarHBondContact O-CA 3.48Å; V576-S588 VanDerWaalsContact O-CB 3.24Å; V576-S588 WeakPolarHBondContact O-CB 3.36Å; V576-F589 HydrophobicContact CB-CD1 4.22Å; V576-F589 HydrophobicContact CB-CD2 4.34Å; V576-F589 HydrophobicContact CB-CE1 3.65Å; V576-F589 HydrophobicContact CB-CE2 3.78Å; V576-F589 HydrophobicContact CB-CZ 3.42Å; V576-F589 VanDerWaalsContact CB-CZ 3.42Å; V576-F589 HydrophobicContact CG1-CE1 3.67Å; V576-F589 HydrophobicContact CG1-CZ 3.66Å; V576-F589 HydrophobicContact CG2-CE1 4.45Å; V576-F589 HydrophobicContact CG2-CE2 3.81Å; V576-F589 HydrophobicContact CG2-CZ 3.72Å; V576-F589 PolarHBondContact N-O 2.85Å; V576-F589 PolarHBondContact O-N 3.2Å; V576-L591 HydrophobicContact CG2-CD1 4.49Å; V576-L591 HydrophobicContact CG2-CD2 3.88Å; V576-L591 HydrophobicContact CG2-CG 4.43Å; V576-V626 HydrophobicContact CG2-CG2 4.01Å
577	F	98.7	Very high	95.7	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.1	171.1	-64.4	-84.5	0	0	0	109.6	F549 E551 F552 I567 V568 D570 R573 K575 F579 S588	F549-F577 HydrophobicContact CD1-CD1 4.08Å; F549-F577 HydrophobicContact CD1-CE1 4.23Å; F549-F577 AromaticContact CE1-CD1 3.67Å; F549-F577 HydrophobicContact CE1-CD1 3.67Å; F549-F577 AromaticContact CE1-CE1 3.72Å; F549-F577 HydrophobicContact CE1-CE1 3.72Å; E551-F577 HydrophobicContact CB-CE1 3.88Å; E551-F577 HydrophobicContact CB-CZ 3.83Å; F552-F577 HydrophobicContact CD1-CD2 4.03Å; F552-F577 HydrophobicContact CD1-CE2 4.17Å; F552-F577 HydrophobicContact CE1-CB 4.25Å; F552-F577 AromaticContact CE1-CD2 3.83Å; F552-F577 HydrophobicContact CE1-CD2 3.83Å; F552-F577 HydrophobicContact CE1-CE2 4.42Å; F552-F577 HydrophobicContact CE1-CG 4.13Å; I567-F577 WeakPolarHBondContact CA-O 3.37Å; V568-F577 PolarHBondContact N-O 2.87Å; V568-F577 PolarHBondContact O-N 2.91Å; D570-F577 HydrophobicContact CB-CD2 4.02Å; D570-F577 HydrophobicContact CB-CE2 3.7Å; R573-F577 HydrophobicContact CB-CE2 4.49Å; R573-F577 HydrophobicContact CG-CZ 4.42Å; K575-F577 HydrophobicContact CB-CE2 4.16Å; K575-F577 HydrophobicContact CB-CZ 4.37Å; K575-F577 HydrophobicContact CD-CZ 4.32Å; F577-F579 HydrophobicContact CB-CD2 4.48Å; F577-F579 HydrophobicContact CB-CE2 3.55Å; F577-F579 HydrophobicContact CB-CZ 3.88Å; F577-S588 VanDerWaalsContact CD1-CB 3.49Å
578	V	98.4	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	180	-173.6	0	0	0	0	109	R565 I566 I567 V576 L586 F587 F589 I624	R565-V578 HydrophobicContact CB-CG1 4.01Å; I566-V578 CarbonylContact O-C 3.59Å; I566-V578 WeakPolarHBondContact O-CA 3.49Å; I567-V578 HydrophobicContact CG1-CG1 4.24Å; I567-V578 HydrophobicContact CG1-CG2 4.33Å; V576-V578 HydrophobicContact CG1-CG2 4.19Å; V578-L586 HydrophobicContact CG1-CD1 4.33Å; V578-L586 WeakPolarHBondContact O-CB 3.38Å; V578-L586 PolarHBondContact O-N 2.85Å; V578-F587 HydrophobicContact CB-CD1 4.33Å; V578-F587 HydrophobicContact CB-CD2 4.43Å; V578-F587 HydrophobicContact CB-CE1 4.04Å; V578-F587 HydrophobicContact CB-CE2 4.16Å; V578-F587 HydrophobicContact CB-CZ 3.95Å; V578-F587 HydrophobicContact CG1-CE1 4Å; V578-F587 HydrophobicContact CG1-CZ 4.06Å; V578-F587 HydrophobicContact CG2-CD2 4.18Å; V578-F587 HydrophobicContact CG2-CE1 4.33Å; V578-F587 HydrophobicContact CG2-CE2 3.64Å; V578-F587 HydrophobicContact CG2-CZ 3.72Å; V578-F587 PolarHBondContact N-O 2.92Å; V578-F587 PolarHBondContact O-N 3.34Å; V578-F589 HydrophobicContact CG2-CE1 4.23Å; V578-I624 HydrophobicContact CG2-CD1 4.47Å
579	F	97.4	Very high	95.7	Very high	1 Å²	1	50 Å²	50	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.3	179.4	-53.3	-98.5	0	0	0	110.2	F547 F549 F552 R565 I566 V568 F577 R584 P585	F547-F579 HydrophobicContact CE2-CD1 4.1Å; F547-F579 HydrophobicContact CE2-CE1 4.07Å; F547-F579 HydrophobicContact CE2-CG 4.38Å; F547-F579 HydrophobicContact CE2-CZ 4.29Å; F547-F579 HydrophobicContact CZ-CG 4.39Å; F549-F579 HydrophobicContact CB-CE1 4.16Å; F549-F579 HydrophobicContact CB-CZ 3.98Å; F549-F579 HydrophobicContact CD1-CE1 4.16Å; F549-F579 AromaticContact CD1-CZ 3.83Å; F549-F579 HydrophobicContact CD1-CZ 3.83Å; F549-F579 HydrophobicContact CD2-CE1 4.05Å; F549-F579 HydrophobicContact CD2-CZ 4.49Å; F549-F579 HydrophobicContact CE1-CZ 4.45Å; F549-F579 AromaticContact CG-CE1 3.87Å; F549-F579 HydrophobicContact CG-CE1 3.87Å; F549-F579 AromaticContact CG-CZ 3.86Å; F549-F579 HydrophobicContact CG-CZ 3.86Å; F552-F579 HydrophobicContact CE1-CE2 4.15Å; F552-F579 AromaticContact CE1-CZ 3.95Å; F552-F579 HydrophobicContact CE1-CZ 3.95Å; F552-F579 AromaticContact CZ-CE2 3.82Å; F552-F579 HydrophobicContact CZ-CE2 3.82Å; F552-F579 AromaticContact CZ-CZ 3.65Å; F552-F579 HydrophobicContact CZ-CZ 3.65Å; R565-F579 CarbonylContact C-O 3.47Å; R565-F579 WeakPolarHBondContact CA-O 3.34Å; R565-F579 WeakPolarHBondContact CB-O 3.44Å; I566-F579 HydrophobicContact CB-CB 4.27Å; I566-F579 PolarHBondContact N-O 2.79Å; I566-F579 PolarHBondContact O-N 2.73Å; V568-F579 HydrophobicContact CB-CE2 4.24Å; V568-F579 HydrophobicContact CG2-CD2 4.17Å; V568-F579 HydrophobicContact CG2-CE2 3.88Å; F577-F579 HydrophobicContact CB-CD2 4.48Å; F577-F579 HydrophobicContact CB-CE2 3.55Å; F577-F579 HydrophobicContact CB-CZ 3.88Å; F579-R584 CarbonylContact C-O 3.56Å; F579-R584 WeakPolarHBondContact CA-O 3.35Å; F579-P585 HydrophobicContact CD1-CB 3.98Å; F579-P585 HydrophobicContact CE1-CB 3.93Å
580	D	93.3	Very high	95.6	Very high	20 Å²	20	54.1 Å²	54.1	11%	0.107	27%	0.269	C	S	.	.			trans	-78.4	175.4	167.6	73.3	8.8	0	0	0	111.9	R582 A583 R584 L586	D580-R582 PolarHBondContact O-N 2.95Å; D580-R582 VanDerWaalsContact OD1-C 3.26Å; D580-R582 VanDerWaalsContact OD1-CA 3.27Å; D580-R582 WeakPolarHBondContact OD1-CA 3.15Å; D580-R582 WeakPolarHBondContact OD1-CB 3.35Å; D580-R582 PolarHBondContact OD1-N 3.15Å; D580-A583 PolarHBondContact O-N 2.83Å; D580-A583 PolarHBondContact OD1-N 3.43Å; D580-A583 VanDerWaalsContact OD1-N 3.17Å; D580-R584 PolarHBondContact N-O 3.37Å; D580-R584 WeakPolarHBondContact OD1-CB 3.3Å; D580-R584 PolarHBondContact OD1-N 3.15Å; D580-R584 IonicContact OD1-NE 2.79Å; D580-R584 IonicContact OD2-CZ 3.33Å; D580-R584 IonicContact OD2-NE 3.73Å; D580-R584 PolarHBondContact OD2-NE 3.33Å; D580-R584 IonicContact OD2-NH2 3.59Å; D580-R584 PolarHBondContact OD2-NH2 2.9Å; D580-L586 HydrophobicContact CB-CD1 4.08Å; D580-L586 HydrophobicContact CB-CD2 4.14Å; D580-L586 HydrophobicContact CB-CG 4.18Å
581	R	88.9	Confident	95.5	Very high	107 Å²	107	54.6 Å²	54.6	40%	0.404	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.1	176.3	-65.4	-178.2	-165.2	-164.4	5.8	113.9	K545 D563 G564 A583	K545-R581 PolarHBondContact NZ-O 3.3Å; D563-R581 VanDerWaalsContact C-NH2 3.35Å; D563-R581 VanDerWaalsContact O-CZ 3.29Å; D563-R581 PolarHBondContact O-NE 2.81Å; D563-R581 PolarHBondContact O-NH2 2.76Å; G564-R581 WeakPolarHBondContact O-CG 3.24Å; R581-A583 VanDerWaalsContact C-N 3.27Å
582	R	91.1	Very high	95.3	Very high	180 Å²	180	57.3 Å²	57.3	68%	0.679	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	13.2	179.2	-60.3	-179.7	64.6	-167	-0.6	112.1	D580 R584	D580-R582 PolarHBondContact O-N 2.95Å; D580-R582 VanDerWaalsContact OD1-C 3.26Å; D580-R582 VanDerWaalsContact OD1-CA 3.27Å; D580-R582 WeakPolarHBondContact OD1-CA 3.15Å; D580-R582 WeakPolarHBondContact OD1-CB 3.35Å; D580-R582 PolarHBondContact OD1-N 3.15Å; R582-R584 HydrophobicContact CB-CG 4.35Å; R582-R584 PolarHBondContact O-N 2.86Å
583	A	92.8	Very high	94.4	Very high	17 Å²	17	63.9 Å²	63.9	14%	0.14	30%	0.3	C	S	.	.	S	Bend	trans	60.9	23	-177.1	0	0	0	0	0	114.3	K545 F547 D580 R581	K545-A583 HydrophobicContact CD-CB 4.39Å; F547-A583 HydrophobicContact CB-CB 4.23Å; F547-A583 HydrophobicContact CD1-CB 3.36Å; F547-A583 HydrophobicContact CD2-CB 3.93Å; F547-A583 HydrophobicContact CE1-CB 3.5Å; F547-A583 VanDerWaalsContact CE1-CB 3.5Å; F547-A583 HydrophobicContact CE2-CB 4.07Å; F547-A583 HydrophobicContact CG-CB 3.58Å; F547-A583 HydrophobicContact CZ-CB 3.86Å; D580-A583 PolarHBondContact O-N 2.83Å; D580-A583 PolarHBondContact OD1-N 3.43Å; D580-A583 VanDerWaalsContact OD1-N 3.17Å; R581-A583 VanDerWaalsContact C-N 3.27Å
584	R	96.4	Very high	92.9	Very high	135 Å²	135	59.3 Å²	59.3	51%	0.509	29%	0.285	S	S	.	.			trans	-85.2	131.4	173.5	-58.8	-178.2	-63.1	169.1	4.3	109	F579 D580 R582 L586	F579-R584 CarbonylContact C-O 3.56Å; F579-R584 WeakPolarHBondContact CA-O 3.35Å; D580-R584 PolarHBondContact N-O 3.37Å; D580-R584 WeakPolarHBondContact OD1-CB 3.3Å; D580-R584 PolarHBondContact OD1-N 3.15Å; D580-R584 IonicContact OD1-NE 2.79Å; D580-R584 IonicContact OD2-CZ 3.33Å; D580-R584 IonicContact OD2-NE 3.73Å; D580-R584 PolarHBondContact OD2-NE 3.33Å; D580-R584 IonicContact OD2-NH2 3.59Å; D580-R584 PolarHBondContact OD2-NH2 2.9Å; R582-R584 HydrophobicContact CB-CG 4.35Å; R582-R584 PolarHBondContact O-N 2.86Å; R584-L586 PolarHBondContact O-N 2.82Å
585	P	97.7	Very high	90.7	Very high	74 Å²	74	66.3 Å²	66.3	48%	0.481	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	130.3	178	27.6	-34.2	0	0	0	110	F549 F579	F549-P585 HydrophobicContact CE2-CB 4.08Å; F549-P585 HydrophobicContact CE2-CG 3.95Å; F549-P585 HydrophobicContact CZ-CB 4.1Å; F549-P585 HydrophobicContact CZ-CG 4.37Å; F579-P585 HydrophobicContact CD1-CB 3.98Å; F579-P585 HydrophobicContact CE1-CB 3.93Å
586	L	98	Very high	88.2	Confident	86 Å²	86	66.2 Å²	66.2	45%	0.45	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-57.3	176.8	-65.6	176.7	0	0	0	110.5	R565 V578 D580 R584	R565-L586 HydrophobicContact CG-CD1 4.02Å; V578-L586 HydrophobicContact CG1-CD1 4.33Å; V578-L586 WeakPolarHBondContact O-CB 3.38Å; V578-L586 PolarHBondContact O-N 2.85Å; D580-L586 HydrophobicContact CB-CD1 4.08Å; D580-L586 HydrophobicContact CB-CD2 4.14Å; D580-L586 HydrophobicContact CB-CG 4.18Å; R584-L586 PolarHBondContact O-N 2.82Å
587	F	98.1	Very high	85.3	Confident	70 Å²	70	71.8 Å²	71.8	31%	0.307	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	171.7	177.2	60.2	-87.2	0	0	0	110.5	V578 F589 G637	V578-F587 HydrophobicContact CB-CD1 4.33Å; V578-F587 HydrophobicContact CB-CD2 4.43Å; V578-F587 HydrophobicContact CB-CE1 4.04Å; V578-F587 HydrophobicContact CB-CE2 4.16Å; V578-F587 HydrophobicContact CB-CZ 3.95Å; V578-F587 HydrophobicContact CG1-CE1 4Å; V578-F587 HydrophobicContact CG1-CZ 4.06Å; V578-F587 HydrophobicContact CG2-CD2 4.18Å; V578-F587 HydrophobicContact CG2-CE1 4.33Å; V578-F587 HydrophobicContact CG2-CE2 3.64Å; V578-F587 HydrophobicContact CG2-CZ 3.72Å; V578-F587 PolarHBondContact N-O 2.92Å; V578-F587 PolarHBondContact O-N 3.34Å; F587-F589 HydrophobicContact CD2-CD1 4.13Å; F587-F589 AromaticContact CE2-CD1 3.9Å; F587-F589 HydrophobicContact CE2-CD1 3.9Å; F587-F589 HydrophobicContact CE2-CE1 4.1Å; F587-G637 WeakPolarHBondContact CE2-O 3.23Å
588	S	98.2	Very high	82.3	Confident	53 Å²	53	80.3 Å²	80.3	37%	0.371	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.6	169.8	66.7	0	0	0	0	109.7	V576 F577	V576-S588 CarbonylContact O-C 3.53Å; V576-S588 WeakPolarHBondContact O-CA 3.48Å; V576-S588 VanDerWaalsContact O-CB 3.24Å; V576-S588 WeakPolarHBondContact O-CB 3.36Å; F577-S588 VanDerWaalsContact CD1-CB 3.49Å
589	F	98.2	Very high	79.3	Confident	12 Å²	12	88.6 Å²	88.6	5%	0.053	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.2	177	56.9	-87.8	0	0	0	111.3	K575 V576 V578 F587 L591 I624 Y634	K575-F589 VanDerWaalsContact CA-O 3.32Å; K575-F589 WeakPolarHBondContact CA-O 3.48Å; K575-F589 WeakPolarHBondContact CB-O 3.48Å; V576-F589 HydrophobicContact CB-CD1 4.22Å; V576-F589 HydrophobicContact CB-CD2 4.34Å; V576-F589 HydrophobicContact CB-CE1 3.65Å; V576-F589 HydrophobicContact CB-CE2 3.78Å; V576-F589 HydrophobicContact CB-CZ 3.42Å; V576-F589 VanDerWaalsContact CB-CZ 3.42Å; V576-F589 HydrophobicContact CG1-CE1 3.67Å; V576-F589 HydrophobicContact CG1-CZ 3.66Å; V576-F589 HydrophobicContact CG2-CE1 4.45Å; V576-F589 HydrophobicContact CG2-CE2 3.81Å; V576-F589 HydrophobicContact CG2-CZ 3.72Å; V576-F589 PolarHBondContact N-O 2.85Å; V576-F589 PolarHBondContact O-N 3.2Å; V578-F589 HydrophobicContact CG2-CE1 4.23Å; F587-F589 HydrophobicContact CD2-CD1 4.13Å; F587-F589 AromaticContact CE2-CD1 3.9Å; F587-F589 HydrophobicContact CE2-CD1 3.9Å; F587-F589 HydrophobicContact CE2-CE1 4.1Å; F589-L591 HydrophobicContact CE2-CD2 4.3Å; F589-I624 HydrophobicContact CE1-CD1 3.81Å; F589-I624 HydrophobicContact CZ-CB 4.45Å; F589-I624 HydrophobicContact CZ-CD1 3.77Å; F589-I624 HydrophobicContact CZ-CG2 4.33Å; F589-Y634 AromaticContact CD2-CD1 3.73Å; F589-Y634 HydrophobicContact CD2-CD1 3.73Å; F589-Y634 AromaticContact CD2-CE1 3.93Å; F589-Y634 HydrophobicContact CD2-CE1 3.93Å; F589-Y634 HydrophobicContact CD2-CG 4.28Å; F589-Y634 AromaticContact CE2-CD1 3.49Å; F589-Y634 HydrophobicContact CE2-CD1 3.49Å; F589-Y634 VanDerWaalsContact CE2-CD1 3.49Å; F589-Y634 HydrophobicContact CE2-CD2 4.02Å; F589-Y634 AromaticContact CE2-CE1 3.93Å; F589-Y634 HydrophobicContact CE2-CE1 3.93Å; F589-Y634 HydrophobicContact CE2-CE2 4.41Å; F589-Y634 AromaticContact CE2-CG 3.56Å; F589-Y634 HydrophobicContact CE2-CG 3.56Å; F589-Y634 HydrophobicContact CZ-CD1 4.46Å; F589-Y634 HydrophobicContact CZ-CG 4.25Å
590	P	96.4	Very high	76	Confident	87 Å²	87	94.5 Å²	94.5	57%	0.565	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	144.3	175.7	32.9	-34	0	0	0	111.4
591	L	94.5	Very high	73.1	Confident	10 Å²	10	97.5 Å²	97.5	5%	0.052	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-83.8	150.7	173.5	-62.8	169.8	0	0	0	110.8	L569 A574 V576 F589 K593 F613 V626 Y634	L569-L591 HydrophobicContact CD1-CD1 3.47Å; L569-L591 VanDerWaalsContact CD1-CD1 3.47Å; A574-L591 PolarHBondContact O-N 3.04Å; V576-L591 HydrophobicContact CG2-CD1 4.49Å; V576-L591 HydrophobicContact CG2-CD2 3.88Å; V576-L591 HydrophobicContact CG2-CG 4.43Å; F589-L591 HydrophobicContact CE2-CD2 4.3Å; L591-K593 PolarHBondContact O-N 3.25Å; L591-F613 HydrophobicContact CB-CD1 4.48Å; L591-F613 HydrophobicContact CB-CD2 4.35Å; L591-F613 HydrophobicContact CB-CE1 3.77Å; L591-F613 HydrophobicContact CB-CE2 3.62Å; L591-F613 HydrophobicContact CB-CZ 3.28Å; L591-F613 HydrophobicContact CD1-CB 4.2Å; L591-F613 HydrophobicContact CD1-CD1 3.72Å; L591-F613 HydrophobicContact CD1-CD2 3.42Å; L591-F613 VanDerWaalsContact CD1-CD2 3.42Å; L591-F613 HydrophobicContact CD1-CE1 3.87Å; L591-F613 HydrophobicContact CD1-CE2 3.6Å; L591-F613 HydrophobicContact CD1-CG 3.48Å; L591-F613 VanDerWaalsContact CD1-CG 3.48Å; L591-F613 HydrophobicContact CD1-CZ 3.82Å; L591-F613 HydrophobicContact CG-CE1 4.34Å; L591-F613 HydrophobicContact CG-CE2 4.26Å; L591-F613 HydrophobicContact CG-CZ 4.16Å; L591-V626 HydrophobicContact CD1-CG1 4.09Å; L591-V626 HydrophobicContact CD2-CB 4.33Å; L591-V626 HydrophobicContact CD2-CG1 4.22Å; L591-V626 HydrophobicContact CD2-CG2 3.96Å; L591-Y634 VanDerWaalsContact CA-OH 3.31Å; L591-Y634 WeakPolarHBondContact CA-OH 3.45Å; L591-Y634 HydrophobicContact CD2-CD2 4.42Å; L591-Y634 HydrophobicContact CD2-CE1 4.5Å; L591-Y634 HydrophobicContact CD2-CE2 3.57Å
592	Q	89.5	Confident	70.3	Confident	96 Å²	96	96.5 Å²	96.5	45%	0.449	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-71.3	125.3	178.7	-69.2	-60.7	-20.9	0	0	108.7	N594 Q632 Y634 F640	Q592-N594 PolarHBondContact O-N 2.89Å; Q592-Q632 PolarHBondContact O-NE2 3.13Å; Q592-Y634 PolarHBondContact N-OH 3.15Å; Q592-F640 HydrophobicContact CB-CE2 4.42Å; Q592-F640 HydrophobicContact CG-CB 4.39Å; Q592-F640 HydrophobicContact CG-CD1 4.3Å; Q592-F640 HydrophobicContact CG-CD2 3.6Å; Q592-F640 HydrophobicContact CG-CE1 4.5Å; Q592-F640 HydrophobicContact CG-CE2 3.82Å; Q592-F640 HydrophobicContact CG-CG 3.84Å; Q592-F640 HydrophobicContact CG-CZ 4.27Å
593	K	73	Confident	67.4	Low	177 Å²	177	98.1 Å²	98.1	77%	0.77	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-74.2	127.1	174.6	-72.4	-177.8	177.4	179.9	0	108.7	L591 N595	L591-K593 PolarHBondContact O-N 3.25Å; K593-N595 PolarHBondContact O-N 2.87Å
594	N	61.9	Low	64.5	Low	28 Å²	28	106.7 Å²	106.7	15%	0.15	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-54.9	134.3	-178.8	-54.1	-33	0	0	0	111.5	Q592 C596 C629	Q592-N594 PolarHBondContact O-N 2.89Å; N594-C596 HydrophobicContact CB-CB 4.32Å; N594-C596 PolarHBondContact O-N 3.02Å; N594-C629 PolarHBondContact ND2-SG 3.45Å
595	N	47.9	Very low	61.2	Low	169 Å²	169	108.3 Å²	108.3	90%	0.904	59%	0.589	S	S	*	*			trans	-77	49.7	155.8	-77.4	-27.2	0	0	0	109.6	K593 P597	K593-N595 PolarHBondContact O-N 2.87Å; N595-P597 WeakPolarHBondContact O-CD 3.42Å; N595-P597 VanDerWaalsContact O-N 3.09Å
596	C	43.1	Very low	57.9	Low	58 Å²	58	108.8 Å²	108.8	39%	0.392	59%	0.594	S	S	.	*			trans	-55.4	123	168.9	-99.1	0	0	0	0	106.5	N594 Q598	N594-C596 HydrophobicContact CB-CB 4.32Å; N594-C596 PolarHBondContact O-N 3.02Å; C596-Q598 PolarHBondContact O-N 2.98Å
597	P	38.8	Very low	54.7	Low	117 Å²	117	113.5 Å²	113.5	76%	0.76	61%	0.614	S	S	*	*			trans	-55.4	112.5	-176.8	18.3	-28.9	0	0	0	107.7	N595 Q599	N595-P597 WeakPolarHBondContact O-CD 3.42Å; N595-P597 VanDerWaalsContact O-N 3.09Å; P597-Q599 VanDerWaalsContact C-N 3.29Å; P597-Q599 PolarHBondContact O-N 2.87Å
598	Q	35.5	Very low	51.6	Low	189 Å²	189	114.5 Å²	114.5	88%	0.883	64%	0.635	S	S	*	*			trans	-56	103	169.9	-77.5	-179.9	0.5	0	0	105.4	C596 S600	C596-Q598 PolarHBondContact O-N 2.98Å; Q598-S600 VanDerWaalsContact C-N 3.33Å; Q598-S600 PolarHBondContact O-N 3.44Å
599	Q	34.1	Very low	48.7	Very low	175 Å²	175	117.9 Å²	117.9	82%	0.818	65%	0.649	S	S	*	*			trans	-57.3	108.1	168.2	-74	-174.1	7.8	0	0	105.7	P597 S601	P597-Q599 VanDerWaalsContact C-N 3.29Å; P597-Q599 PolarHBondContact O-N 2.87Å; Q599-S601 PolarHBondContact O-N 3.02Å
600	S	29.2	Very low	46.1	Very low	125 Å²	125	120.9 Å²	120.9	87%	0.874	67%	0.67	S	S	*	*			trans	-64.6	77	175.9	53.2	0	0	0	0	108.6	Q598	Q598-S600 VanDerWaalsContact C-N 3.33Å; Q598-S600 PolarHBondContact O-N 3.44Å
601	S	32.3	Very low	44.2	Very low	82 Å²	82	120 Å²	120	57%	0.573	66%	0.658	S	S	*	*			trans	-150.1	91.4	170.8	66.7	0	0	0	0	109.9	Q599 R603	Q599-S601 PolarHBondContact O-N 3.02Å; S601-R603 PolarHBondContact O-N 3.11Å
602	G	30.6	Very low	43.5	Very low	87 Å²	87	120.9 Å²	120.9	90%	0.897	67%	0.67	S	S	*	*			trans	18.7	25.2	141.7	0	0	0	0	0	123.5
603	R	30	Very low	43.6	Very low	214 Å²	214	117.3 Å²	117.3	81%	0.808	65%	0.653	S	S	*	*			trans	-119.1	90.7	171.1	-77.6	-174.2	175.4	-178.1	-0.6	108.8	S601 N605	S601-R603 PolarHBondContact O-N 3.11Å; R603-N605 PolarHBondContact O-N 2.74Å
604	Q	30.8	Very low	44.7	Very low	196 Å²	196	110.4 Å²	110.4	92%	0.916	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	12.7	177.1	-75.6	-172.1	-15.4	0	0	115
605	N	26.7	Very low	46.3	Very low	169 Å²	169	109.1 Å²	109.1	90%	0.904	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	21.5	-169.7	-95	-3.7	0	0	0	116	R603	R603-N605 PolarHBondContact O-N 2.74Å
606	S	28.6	Very low	48.7	Very low	84 Å²	84	101.3 Å²	101.3	59%	0.587	58%	0.577	S	S	*	*	S	Bend	trans	-127.9	116.5	156.1	54.7	0	0	0	0	106.1	A608	S606-A608 PolarHBondContact O-N 3.04Å
607	H	31.4	Very low	51.3	Low	186 Å²	186	99.5 Å²	99.5	86%	0.861	56%	0.564	S	S	*	*			trans	-45.8	99.8	157	-71.3	-74.8	0	0	0	105.8	N609	H607-N609 PolarHBondContact O-N 2.79Å
608	A	33.1	Very low	53.9	Low	90 Å²	90	94.9 Å²	94.9	74%	0.744	53%	0.534	S	S	*	.			trans	-58.3	105.1	170.3	0	0	0	0	0	102.4	S606 C610	S606-A608 PolarHBondContact O-N 3.04Å; A608-C610 PolarHBondContact O-N 2.89Å
609	N	37.7	Very low	56.6	Low	124 Å²	124	86.1 Å²	86.1	66%	0.663	49%	0.494	S	S	*	.			trans	-49	90.3	-173.5	-91	-10.2	0	0	0	107.7	H607 F611	H607-N609 PolarHBondContact O-N 2.79Å; N609-F611 HydrophobicContact CB-CE2 4.49Å; N609-F611 HydrophobicContact CB-CZ 4.43Å; N609-F611 WeakPolarHBondContact O-CD2 3.3Å; N609-F611 PolarHBondContact O-N 3Å
610	C	43.6	Very low	59.1	Low	75 Å²	75	79.4 Å²	79.4	51%	0.507	47%	0.466	S	S	.	.			trans	-67.4	97.3	162	-154.6	0	0	0	0	101.2	A608 G612	A608-C610 PolarHBondContact O-N 2.89Å; C610-G612 PolarHBondContact O-N 2.75Å
611	F	55.8	Low	61.9	Low	68 Å²	68	77.9 Å²	77.9	30%	0.298	45%	0.448	S	S	.	.			trans	-54.8	119.2	-176.9	-71	-83.7	0	0	0	106.4	N609 C629 P656 V658	N609-F611 HydrophobicContact CB-CE2 4.49Å; N609-F611 HydrophobicContact CB-CZ 4.43Å; N609-F611 WeakPolarHBondContact O-CD2 3.3Å; N609-F611 PolarHBondContact O-N 3Å; F611-C629 HydrophobicContact CB-CB 4.44Å; F611-P656 HydrophobicContact CD2-CB 4.22Å; F611-P656 HydrophobicContact CE2-CB 3.7Å; F611-P656 HydrophobicContact CE2-CG 3.93Å; F611-V658 HydrophobicContact CB-CG2 3.99Å; F611-V658 HydrophobicContact CD1-CG2 3.32Å; F611-V658 HydrophobicContact CD2-CG2 4.17Å; F611-V658 HydrophobicContact CE1-CG2 3.73Å; F611-V658 HydrophobicContact CG-CG2 3.56Å; F611-V658 HydrophobicContact CZ-CG2 4.31Å
612	G	79.9	Confident	64.7	Low	30 Å²	30	79.1 Å²	79.1	31%	0.309	44%	0.44	S	S	.	.			trans	-62.2	177	-177.6	0	0	0	0	0	111.9	N571 C610	N571-G612 VanDerWaalsContact OD1-CA 3.23Å; N571-G612 WeakPolarHBondContact OD1-CA 3.22Å; C610-G612 PolarHBondContact O-N 2.75Å
613	F	92.6	Very high	67.7	Low	21 Å²	21	75.8 Å²	75.8	9%	0.092	40%	0.402	C	S	.	.			trans	-75.7	142.2	172.1	-53.4	-79.3	0	0	0	109.2	L569 N571 A574 L591 V626 G627	L569-F613 HydrophobicContact CD1-CB 3.94Å; L569-F613 HydrophobicContact CD2-CB 3.95Å; L569-F613 HydrophobicContact CG-CB 4.31Å; N571-F613 PolarHBondContact OD1-N 2.6Å; A574-F613 HydrophobicContact CB-CD2 4.35Å; A574-F613 HydrophobicContact CB-CE2 3.77Å; L591-F613 HydrophobicContact CB-CD1 4.48Å; L591-F613 HydrophobicContact CB-CD2 4.35Å; L591-F613 HydrophobicContact CB-CE1 3.77Å; L591-F613 HydrophobicContact CB-CE2 3.62Å; L591-F613 HydrophobicContact CB-CZ 3.28Å; L591-F613 HydrophobicContact CD1-CB 4.2Å; L591-F613 HydrophobicContact CD1-CD1 3.72Å; L591-F613 HydrophobicContact CD1-CD2 3.42Å; L591-F613 VanDerWaalsContact CD1-CD2 3.42Å; L591-F613 HydrophobicContact CD1-CE1 3.87Å; L591-F613 HydrophobicContact CD1-CE2 3.6Å; L591-F613 HydrophobicContact CD1-CG 3.48Å; L591-F613 VanDerWaalsContact CD1-CG 3.48Å; L591-F613 HydrophobicContact CD1-CZ 3.82Å; L591-F613 HydrophobicContact CG-CE1 4.34Å; L591-F613 HydrophobicContact CG-CE2 4.26Å; L591-F613 HydrophobicContact CG-CZ 4.16Å; F613-V626 HydrophobicContact CB-CG1 4.09Å; F613-V626 HydrophobicContact CD1-CG1 3.65Å; F613-V626 HydrophobicContact CE1-CG1 4.47Å; F613-V626 HydrophobicContact CG-CG1 4.16Å; F613-G627 WeakPolarHBondContact CA-O 3.29Å
614	T	94.6	Very high	70.9	Confident	32 Å²	32	65.6 Å²	65.6	20%	0.196	36%	0.363	C	S	.	.			trans	-124.5	-27.8	-165.8	54.2	0	0	0	0	113.9	R470 G627 V658 V659	R470-T614 PolarHBondContact NH2-O 3.09Å; T614-G627 PolarHBondContact N-O 3.01Å; T614-G627 PolarHBondContact OG1-O 3.32Å; T614-G627 VanDerWaalsContact OG1-O 3.12Å; T614-V658 HydrophobicContact CG2-CG1 3.91Å; T614-V659 VanDerWaalsContact CB-O 3.26Å; T614-V659 WeakPolarHBondContact CB-O 3.34Å; T614-V659 PolarHBondContact OG1-O 2.93Å
615	C	97	Very high	74.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	157.2	-174.6	56.2	0	0	0	0	112.6	D557 L569 V626 G627 G661	D557-C615 WeakPolarHBondContact OD2-CA 3.38Å; D557-C615 VanDerWaalsContact OD2-CB 3.23Å; D557-C615 WeakPolarHBondContact OD2-CB 3.36Å; L569-C615 VanDerWaalsContact CD2-C 3.5Å; L569-C615 WeakPolarHBondContact CD2-O 3.49Å; C615-V626 WeakPolarHBondContact O-CA 3.42Å; C615-G627 PolarHBondContact O-N 3.46Å; C615-G661 VanDerWaalsContact SG-CA 3.52Å
616	V	97.9	Very high	77.5	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.1	177.9	64.1	0	0	0	0	110.9	D557 T559 I567 L569 I624 L625 V626	D557-V616 HydrophobicContact CB-CG1 4.24Å; D557-V616 PolarHBondContact OD2-N 3.41Å; T559-V616 HydrophobicContact CG2-CG1 4.17Å; T559-V616 HydrophobicContact CG2-CG2 4.14Å; I567-V616 HydrophobicContact CG2-CG2 4.07Å; L569-V616 HydrophobicContact CB-CB 3.96Å; L569-V616 HydrophobicContact CB-CG1 3.77Å; L569-V616 HydrophobicContact CD2-CB 4.24Å; V616-I624 HydrophobicContact CG2-CG2 3.63Å; V616-L625 CarbonylContact C-O 3.6Å; V616-L625 VanDerWaalsContact CA-O 3.28Å; V616-L625 WeakPolarHBondContact CA-O 3.5Å; V616-L625 WeakPolarHBondContact CG2-O 3.27Å; V616-V626 HydrophobicContact CG2-CG2 4.08Å
617	T	96.6	Very high	80.6	Confident	20 Å²	20	44.2 Å²	44.2	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	176.4	173.5	-162.5	0	0	0	0	111.1	L625 L662 V664	T617-L625 HydrophobicContact CG2-CB 3.99Å; T617-L625 PolarHBondContact N-O 2.83Å; T617-L625 PolarHBondContact O-N 3.29Å; T617-L662 HydrophobicContact CG2-CB 3.61Å; T617-V664 HydrophobicContact CG2-CG2 3.82Å
618	V	94.5	Very high	83.5	Confident	21 Å²	21	35.5 Å²	35.5	13%	0.127	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.4	-179.2	-174.4	0	0	0	0	110.3	T559 D561 I567 D623	T559-V618 HydrophobicContact CG2-CG2 3.62Å; D561-V618 HydrophobicContact CB-CG1 4.16Å; D561-V618 HydrophobicContact CB-CG2 4.02Å; I567-V618 HydrophobicContact CD1-CG2 3.8Å; V618-D623 CarbonylContact C-O 3.56Å; V618-D623 WeakPolarHBondContact CA-O 3.43Å
619	G	91.5	Very high	86.1	Confident	5 Å²	5	32.4 Å²	32.4	5%	0.052	18%	0.181	C	C	.	.			trans	-91.8	176.6	178.5	0	0	0	0	0	114.5	N621 R622 D623	G619-N621 VanDerWaalsContact C-N 3.27Å; G619-N621 PolarHBondContact O-N 3.03Å; G619-R622 PolarHBondContact O-N 2.82Å; G619-D623 PolarHBondContact N-O 2.54Å
620	P	86	Confident	88.6	Confident	34 Å²	34	28.7 Å²	28.7	22%	0.221	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.3	-175.7	26.4	-37.1	0	0	0	113.6	R622 L666 K669 Y688	P620-R622 PolarHBondContact O-N 2.86Å; P620-L666 HydrophobicContact CB-CD2 4.18Å; P620-K669 HydrophobicContact CB-CG 4.26Å; P620-K669 HydrophobicContact CG-CB 4.21Å; P620-K669 HydrophobicContact CG-CD 4.28Å; P620-K669 HydrophobicContact CG-CG 3.95Å; P620-Y688 HydrophobicContact CG-CE2 4.31Å
621	N	88.2	Confident	91	Very high	93 Å²	93	25.1 Å²	25.1	50%	0.497	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	16.8	178.2	-53.4	-40.6	0	0	0	112.9	G619 D623	G619-N621 VanDerWaalsContact C-N 3.27Å; G619-N621 PolarHBondContact O-N 3.03Å; N621-D623 WeakPolarHBondContact CB-OD2 3.38Å; N621-D623 PolarHBondContact O-N 3.48Å
622	R	90.9	Very high	92.8	Very high	108 Å²	108	22 Å²	22	41%	0.408	12%	0.122	S	C	.	.	S	Bend	trans	65	16.3	-171.5	-47.5	175.9	177.4	-146	-3.3	114	D563 G619 P620 H636	D563-R622 IonicContact OD1-CZ 2.97Å; D563-R622 IonicContact OD1-NH1 3.84Å; D563-R622 PolarHBondContact OD1-NH1 2.87Å; D563-R622 IonicContact OD1-NH2 2.84Å; D563-R622 IonicContact OD2-CZ 3.35Å; D563-R622 IonicContact OD2-NH1 2.88Å; D563-R622 PolarHBondContact OD2-NH1 2.8Å; G619-R622 PolarHBondContact O-N 2.82Å; P620-R622 PolarHBondContact O-N 2.86Å; R622-H636 HydrophobicContact CB-CB 3.87Å; R622-H636 VanDerWaalsContact O-CA 3.25Å; R622-H636 WeakPolarHBondContact O-CA 3.19Å; R622-H636 WeakPolarHBondContact O-CB 3.48Å
623	D	94.9	Very high	93.6	Very high	17 Å²	17	20.5 Å²	20.5	9%	0.091	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-69.7	144.7	174.7	-63.5	-31	0	0	0	110.1	V618 G619 N621 L625 I633 Y634 Y688	V618-D623 CarbonylContact C-O 3.56Å; V618-D623 WeakPolarHBondContact CA-O 3.43Å; G619-D623 PolarHBondContact N-O 2.54Å; N621-D623 WeakPolarHBondContact CB-OD2 3.38Å; N621-D623 PolarHBondContact O-N 3.48Å; D623-L625 HydrophobicContact CB-CD1 4.4Å; D623-L625 WeakPolarHBondContact O-CD1 3.28Å; D623-I633 HydrophobicContact CB-CG2 3.76Å; D623-Y634 CarbonylContact C-O 3.56Å; D623-Y634 WeakPolarHBondContact CA-O 3.16Å; D623-Y634 VanDerWaalsContact CB-O 3.29Å; D623-Y634 WeakPolarHBondContact CB-O 3.38Å; D623-Y688 VanDerWaalsContact CB-OH 3.3Å; D623-Y688 WeakPolarHBondContact CB-OH 3.26Å; D623-Y688 PolarHBondContact OD2-OH 2.95Å
624	I	97.6	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.4	177.3	-55.8	174.8	0	0	0	107.7	I567 V578 F589 V616 V626 Y634	I567-I624 HydrophobicContact CD1-CD1 4Å; I567-I624 HydrophobicContact CD1-CG1 4.06Å; I567-I624 HydrophobicContact CG2-CD1 4.31Å; I567-I624 HydrophobicContact CG2-CG2 4.15Å; V578-I624 HydrophobicContact CG2-CD1 4.47Å; F589-I624 HydrophobicContact CE1-CD1 3.81Å; F589-I624 HydrophobicContact CZ-CB 4.45Å; F589-I624 HydrophobicContact CZ-CD1 3.77Å; F589-I624 HydrophobicContact CZ-CG2 4.33Å; V616-I624 HydrophobicContact CG2-CG2 3.63Å; I624-V626 HydrophobicContact CG2-CG2 4.29Å; I624-Y634 PolarHBondContact N-O 3.03Å; I624-Y634 PolarHBondContact O-N 2.9Å
625	L	97.6	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.5	177	-67.6	72.7	0	0	0	109.3	V616 T617 D623 V631 Q632 I633 L662 V664 V671 Y688	V616-L625 CarbonylContact C-O 3.6Å; V616-L625 VanDerWaalsContact CA-O 3.28Å; V616-L625 WeakPolarHBondContact CA-O 3.5Å; V616-L625 WeakPolarHBondContact CG2-O 3.27Å; T617-L625 HydrophobicContact CG2-CB 3.99Å; T617-L625 PolarHBondContact N-O 2.83Å; T617-L625 PolarHBondContact O-N 3.29Å; D623-L625 HydrophobicContact CB-CD1 4.4Å; D623-L625 WeakPolarHBondContact O-CD1 3.28Å; L625-V631 HydrophobicContact CD2-CG1 4.43Å; L625-Q632 CarbonylContact C-O 3.58Å; L625-Q632 WeakPolarHBondContact CA-O 3.22Å; L625-I633 HydrophobicContact CD2-CD1 4.3Å; L625-I633 HydrophobicContact CG-CD1 4.2Å; L625-I633 HydrophobicContact CG-CG1 4.15Å; L625-L662 HydrophobicContact CB-CD1 4.2Å; L625-V664 HydrophobicContact CD2-CG2 3.98Å; L625-V671 HydrophobicContact CD2-CB 4.42Å; L625-V671 HydrophobicContact CD2-CG1 3.81Å; L625-V671 HydrophobicContact CD2-CG2 3.68Å; L625-Y688 HydrophobicContact CD1-CE2 4.42Å; L625-Y688 VanDerWaalsContact CD1-OH 3.29Å; L625-Y688 WeakPolarHBondContact CD1-OH 3.26Å; L625-Y688 HydrophobicContact CD2-CE2 4.2Å
626	V	97.4	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.9	179.6	178.8	0	0	0	0	109.2	L569 V576 L591 F613 C615 V616 I624 V631 Q632 Y634	L569-V626 HydrophobicContact CD1-CG1 3.94Å; L569-V626 HydrophobicContact CD2-CG1 4.12Å; V576-V626 HydrophobicContact CG2-CG2 4.01Å; L591-V626 HydrophobicContact CD1-CG1 4.09Å; L591-V626 HydrophobicContact CD2-CB 4.33Å; L591-V626 HydrophobicContact CD2-CG1 4.22Å; L591-V626 HydrophobicContact CD2-CG2 3.96Å; F613-V626 HydrophobicContact CB-CG1 4.09Å; F613-V626 HydrophobicContact CD1-CG1 3.65Å; F613-V626 HydrophobicContact CE1-CG1 4.47Å; F613-V626 HydrophobicContact CG-CG1 4.16Å; C615-V626 WeakPolarHBondContact O-CA 3.42Å; V616-V626 HydrophobicContact CG2-CG2 4.08Å; I624-V626 HydrophobicContact CG2-CG2 4.29Å; V626-V631 WeakPolarHBondContact O-CA 3.31Å; V626-Q632 PolarHBondContact N-O 3.26Å; V626-Q632 PolarHBondContact O-N 3.48Å; V626-Y634 HydrophobicContact CG2-CD2 4.48Å; V626-Y634 HydrophobicContact CG2-CE2 4.5Å
627	G	94.3	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.2	176.5	0	0	0	0	0	112.2	F613 T614 C615	F613-G627 WeakPolarHBondContact CA-O 3.29Å; T614-G627 PolarHBondContact N-O 3.01Å; T614-G627 PolarHBondContact OG1-O 3.32Å; T614-G627 VanDerWaalsContact OG1-O 3.12Å; C615-G627 PolarHBondContact O-N 3.46Å
628	G	91.1	Very high	93.7	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.031	14%	0.139	C	C	.	.	S	Bend	trans	-166.4	-120.9	175	0	0	0	0	0	109.1	E630 V658 V659	G628-E630 VanDerWaalsContact C-N 3.26Å; G628-E630 PolarHBondContact N-O 2.74Å; G628-V658 WeakPolarHBondContact O-CA 3.49Å; G628-V659 PolarHBondContact O-N 2.86Å
629	C	87.5	Confident	93.8	Very high	24 Å²	24	28.5 Å²	28.5	16%	0.162	16%	0.161	C	C	.	.	S	Bend	trans	-79.1	-12.3	166.9	68	0	0	0	0	114	N594 F611 V657	N594-C629 PolarHBondContact ND2-SG 3.45Å; F611-C629 HydrophobicContact CB-CB 4.44Å; C629-V657 VanDerWaalsContact CA-O 3.31Å; C629-V657 WeakPolarHBondContact CA-O 3.34Å
630	E	90.3	Very high	94.1	Very high	46 Å²	46	31.8 Å²	31.8	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	176.6	175.8	64	179.5	-178.2	0	0	108.4	G628 Q632 A643 F644	G628-E630 VanDerWaalsContact C-N 3.26Å; G628-E630 PolarHBondContact N-O 2.74Å; E630-Q632 HydrophobicContact CG-CG 3.95Å; E630-Q632 WeakPolarHBondContact OE1-CG 3.5Å; E630-Q632 PolarHBondContact OE1-NE2 3.18Å; E630-A643 HydrophobicContact CG-CB 4.37Å; E630-F644 WeakPolarHBondContact CB-O 2.9Å
631	V	93.9	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.9	168.5	-179.8	0	0	0	0	108.2	L625 V626 A643 F644 V646 V659 L662	L625-V631 HydrophobicContact CD2-CG1 4.43Å; V626-V631 WeakPolarHBondContact O-CA 3.31Å; V631-A643 CarbonylContact O-C 3.58Å; V631-A643 WeakPolarHBondContact O-CA 3.06Å; V631-F644 HydrophobicContact CB-CD1 4.42Å; V631-F644 HydrophobicContact CB-CD2 4.32Å; V631-F644 HydrophobicContact CB-CE1 3.91Å; V631-F644 HydrophobicContact CB-CE2 3.78Å; V631-F644 HydrophobicContact CB-CZ 3.56Å; V631-F644 HydrophobicContact CG1-CE1 3.92Å; V631-F644 HydrophobicContact CG1-CE2 4.47Å; V631-F644 HydrophobicContact CG1-CZ 3.76Å; V631-F644 HydrophobicContact CG2-CE2 3.92Å; V631-F644 HydrophobicContact CG2-CZ 3.97Å; V631-F644 PolarHBondContact N-O 3.23Å; V631-F644 VanDerWaalsContact N-O 3.09Å; V631-F644 PolarHBondContact O-N 2.91Å; V631-V646 HydrophobicContact CG2-CG2 3.86Å; V631-V659 HydrophobicContact CG2-CG2 4.21Å; V631-L662 HydrophobicContact CG1-CD1 4.27Å; V631-L662 HydrophobicContact CG2-CD2 4Å
632	Q	94.7	Very high	94.8	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.4	176.1	-59.2	-175	-8.1	0	0	109.6	Q592 L625 V626 E630 Y634 F640 A643	Q592-Q632 PolarHBondContact O-NE2 3.13Å; L625-Q632 CarbonylContact C-O 3.58Å; L625-Q632 WeakPolarHBondContact CA-O 3.22Å; V626-Q632 PolarHBondContact N-O 3.26Å; V626-Q632 PolarHBondContact O-N 3.48Å; E630-Q632 HydrophobicContact CG-CG 3.95Å; E630-Q632 WeakPolarHBondContact OE1-CG 3.5Å; E630-Q632 PolarHBondContact OE1-NE2 3.18Å; Q632-Y634 HydrophobicContact CB-CD2 4.4Å; Q632-Y634 HydrophobicContact CB-CE2 3.63Å; Q632-Y634 PolarHBondContact OE1-OH 2.8Å; Q632-F640 HydrophobicContact CB-CE2 4.39Å; Q632-A643 HydrophobicContact CB-CB 4.37Å; Q632-A643 HydrophobicContact CG-CB 3.87Å
633	I	96.1	Very high	94.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128	179.1	-50.4	-160.5	0	0	0	109.6	D623 L625 L641 F642 F644 Y688	D623-I633 HydrophobicContact CB-CG2 3.76Å; L625-I633 HydrophobicContact CD2-CD1 4.3Å; L625-I633 HydrophobicContact CG-CD1 4.2Å; L625-I633 HydrophobicContact CG-CG1 4.15Å; I633-L641 HydrophobicContact CG2-CD1 4.2Å; I633-L641 WeakPolarHBondContact O-CB 3.26Å; I633-L641 PolarHBondContact O-N 2.89Å; I633-F642 HydrophobicContact CB-CE1 4.44Å; I633-F642 HydrophobicContact CB-CZ 4.43Å; I633-F642 HydrophobicContact CD1-CE1 4.38Å; I633-F642 HydrophobicContact CD1-CE2 3.76Å; I633-F642 HydrophobicContact CD1-CZ 3.62Å; I633-F642 HydrophobicContact CG1-CE2 4.2Å; I633-F642 HydrophobicContact CG1-CZ 4.28Å; I633-F642 PolarHBondContact N-O 3.32Å; I633-F642 PolarHBondContact O-N 3.44Å; I633-F644 HydrophobicContact CD1-CE1 4.15Å; I633-Y688 HydrophobicContact CD1-CD1 4.4Å; I633-Y688 HydrophobicContact CD1-CE1 3.94Å; I633-Y688 HydrophobicContact CD1-CE2 4.49Å; I633-Y688 HydrophobicContact CG2-CE1 4.47Å
634	Y	98	Very high	94.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.6	176.8	-64.8	-99	0	0	0	109.3	F589 L591 Q592 D623 I624 V626 Q632 T639 F640	F589-Y634 AromaticContact CD2-CD1 3.73Å; F589-Y634 HydrophobicContact CD2-CD1 3.73Å; F589-Y634 AromaticContact CD2-CE1 3.93Å; F589-Y634 HydrophobicContact CD2-CE1 3.93Å; F589-Y634 HydrophobicContact CD2-CG 4.28Å; F589-Y634 AromaticContact CE2-CD1 3.49Å; F589-Y634 HydrophobicContact CE2-CD1 3.49Å; F589-Y634 VanDerWaalsContact CE2-CD1 3.49Å; F589-Y634 HydrophobicContact CE2-CD2 4.02Å; F589-Y634 AromaticContact CE2-CE1 3.93Å; F589-Y634 HydrophobicContact CE2-CE1 3.93Å; F589-Y634 HydrophobicContact CE2-CE2 4.41Å; F589-Y634 AromaticContact CE2-CG 3.56Å; F589-Y634 HydrophobicContact CE2-CG 3.56Å; F589-Y634 HydrophobicContact CZ-CD1 4.46Å; F589-Y634 HydrophobicContact CZ-CG 4.25Å; L591-Y634 VanDerWaalsContact CA-OH 3.31Å; L591-Y634 WeakPolarHBondContact CA-OH 3.45Å; L591-Y634 HydrophobicContact CD2-CD2 4.42Å; L591-Y634 HydrophobicContact CD2-CE1 4.5Å; L591-Y634 HydrophobicContact CD2-CE2 3.57Å; Q592-Y634 PolarHBondContact N-OH 3.15Å; D623-Y634 CarbonylContact C-O 3.56Å; D623-Y634 WeakPolarHBondContact CA-O 3.16Å; D623-Y634 VanDerWaalsContact CB-O 3.29Å; D623-Y634 WeakPolarHBondContact CB-O 3.38Å; I624-Y634 PolarHBondContact N-O 3.03Å; I624-Y634 PolarHBondContact O-N 2.9Å; V626-Y634 HydrophobicContact CG2-CD2 4.48Å; V626-Y634 HydrophobicContact CG2-CE2 4.5Å; Q632-Y634 HydrophobicContact CB-CD2 4.4Å; Q632-Y634 HydrophobicContact CB-CE2 3.63Å; Q632-Y634 PolarHBondContact OE1-OH 2.8Å; Y634-T639 CarbonylContact C-O 3.56Å; Y634-T639 VanDerWaalsContact CA-O 3.29Å; Y634-T639 WeakPolarHBondContact CA-O 3.4Å; Y634-F640 VanDerWaalsContact CD1-CA 3.48Å; Y634-F640 HydrophobicContact CD1-CB 3.97Å; Y634-F640 HydrophobicContact CD1-CD2 4.44Å; Y634-F640 HydrophobicContact CE1-CB 3.69Å; Y634-F640 AromaticContact CE1-CD2 3.86Å; Y634-F640 HydrophobicContact CE1-CD2 3.86Å; Y634-F640 HydrophobicContact CE1-CG 4.28Å; Y634-F640 HydrophobicContact CE2-CD2 4.3Å; Y634-F640 AromaticContact CZ-CD2 3.75Å
635	S	96.5	Very high	94	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	19%	0.19	C	C	.	.			trans	-59.9	163	168.5	63	0	0	0	0	111.3	G637 G638 T639	S635-G637 PolarHBondContact O-N 3.16Å; S635-G638 PolarHBondContact O-N 3.34Å; S635-T639 PolarHBondContact N-O 3.13Å; S635-T639 WeakPolarHBondContact OG-CB 3.46Å; S635-T639 PolarHBondContact OG-N 2.93Å; S635-T639 VanDerWaalsContact OG-N 3.08Å; S635-T639 PolarHBondContact OG-O 3.43Å
636	H	94.7	Very high	93.1	Very high	101 Å²	101	33 Å²	33	47%	0.468	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-19.6	174.1	80.3	-78.5	0	0	0	115.2	R565 R622	R565-H636 PolarHBondContact NH1-O 2.84Å; R565-H636 PolarHBondContact NH2-O 3.45Å; R622-H636 HydrophobicContact CB-CB 3.87Å; R622-H636 VanDerWaalsContact O-CA 3.25Å; R622-H636 WeakPolarHBondContact O-CA 3.19Å; R622-H636 WeakPolarHBondContact O-CB 3.48Å
637	G	95.3	Very high	91.7	Very high	37 Å²	37	39.8 Å²	39.8	38%	0.381	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.4	177.5	0	0	0	0	0	114.4	F587 S635	F587-G637 WeakPolarHBondContact CE2-O 3.23Å; S635-G637 PolarHBondContact O-N 3.16Å
638	G	96.1	Very high	89.7	Confident	10 Å²	10	40.9 Å²	40.9	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	88.1	7.1	177.5	0	0	0	0	0	115.7	S635	S635-G638 PolarHBondContact O-N 3.34Å
639	T	97.7	Very high	87.7	Confident	97 Å²	97	45 Å²	45	60%	0.595	27%	0.265	S	S	*	.			trans	-74.6	127.1	170.7	-51.6	0	0	0	0	109.9	Y634 S635 L641	Y634-T639 CarbonylContact C-O 3.56Å; Y634-T639 VanDerWaalsContact CA-O 3.29Å; Y634-T639 WeakPolarHBondContact CA-O 3.4Å; S635-T639 PolarHBondContact N-O 3.13Å; S635-T639 WeakPolarHBondContact OG-CB 3.46Å; S635-T639 PolarHBondContact OG-N 2.93Å; S635-T639 VanDerWaalsContact OG-N 3.08Å; S635-T639 PolarHBondContact OG-O 3.43Å; T639-L641 PolarHBondContact O-N 2.92Å
640	F	96.6	Very high	85.8	Confident	73 Å²	73	49 Å²	49	32%	0.32	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.9	173.7	177.5	-102.3	0	0	0	110.7	Q592 Q632 Y634 F642 A643	Q592-F640 HydrophobicContact CB-CE2 4.42Å; Q592-F640 HydrophobicContact CG-CB 4.39Å; Q592-F640 HydrophobicContact CG-CD1 4.3Å; Q592-F640 HydrophobicContact CG-CD2 3.6Å; Q592-F640 HydrophobicContact CG-CE1 4.5Å; Q592-F640 HydrophobicContact CG-CE2 3.82Å; Q592-F640 HydrophobicContact CG-CG 3.84Å; Q592-F640 HydrophobicContact CG-CZ 4.27Å; Q632-F640 HydrophobicContact CB-CE2 4.39Å; Y634-F640 VanDerWaalsContact CD1-CA 3.48Å; Y634-F640 HydrophobicContact CD1-CB 3.97Å; Y634-F640 HydrophobicContact CD1-CD2 4.44Å; Y634-F640 HydrophobicContact CE1-CB 3.69Å; Y634-F640 AromaticContact CE1-CD2 3.86Å; Y634-F640 HydrophobicContact CE1-CD2 3.86Å; Y634-F640 HydrophobicContact CE1-CG 4.28Å; Y634-F640 HydrophobicContact CE2-CD2 4.3Å; Y634-F640 AromaticContact CZ-CD2 3.75Å; F640-F642 WeakPolarHBondContact CE2-O 3.23Å; F640-A643 HydrophobicContact CE2-CB 4.06Å; F640-A643 HydrophobicContact CZ-CB 4Å
641	L	95.2	Very high	83.7	Confident	79 Å²	79	50.7 Å²	50.7	41%	0.414	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-63.4	176.9	-59.1	-179.4	0	0	0	110.1	I633 T639	I633-L641 HydrophobicContact CG2-CD1 4.2Å; I633-L641 WeakPolarHBondContact O-CB 3.26Å; I633-L641 PolarHBondContact O-N 2.89Å; T639-L641 PolarHBondContact O-N 2.92Å
642	F	93.9	Very high	81.3	Confident	75 Å²	75	59 Å²	59	33%	0.329	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	171.4	178.1	59.3	-84.8	0	0	0	110.3	I633 F640 F644 Y688	I633-F642 HydrophobicContact CB-CE1 4.44Å; I633-F642 HydrophobicContact CB-CZ 4.43Å; I633-F642 HydrophobicContact CD1-CE1 4.38Å; I633-F642 HydrophobicContact CD1-CE2 3.76Å; I633-F642 HydrophobicContact CD1-CZ 3.62Å; I633-F642 HydrophobicContact CG1-CE2 4.2Å; I633-F642 HydrophobicContact CG1-CZ 4.28Å; I633-F642 PolarHBondContact N-O 3.32Å; I633-F642 PolarHBondContact O-N 3.44Å; F640-F642 WeakPolarHBondContact CE2-O 3.23Å; F642-F644 HydrophobicContact CD2-CD1 4.41Å; F642-F644 HydrophobicContact CE2-CD1 4.08Å; F642-Y688 WeakPolarHBondContact CZ-O 3.28Å
643	A	91.9	Very high	78.8	Confident	33 Å²	33	60.4 Å²	60.4	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152	170	0	0	0	0	0	109.1	E630 V631 Q632 F640	E630-A643 HydrophobicContact CG-CB 4.37Å; V631-A643 CarbonylContact O-C 3.58Å; V631-A643 WeakPolarHBondContact O-CA 3.06Å; Q632-A643 HydrophobicContact CB-CB 4.37Å; Q632-A643 HydrophobicContact CG-CB 3.87Å; F640-A643 HydrophobicContact CE2-CB 4.06Å; F640-A643 HydrophobicContact CZ-CB 4Å
644	F	90.2	Very high	76.5	Confident	12 Å²	12	69.3 Å²	69.3	5%	0.053	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140	172.8	60.8	-96.3	0	0	0	111.2	E630 V631 I633 F642 F686 G690	E630-F644 WeakPolarHBondContact CB-O 2.9Å; V631-F644 HydrophobicContact CB-CD1 4.42Å; V631-F644 HydrophobicContact CB-CD2 4.32Å; V631-F644 HydrophobicContact CB-CE1 3.91Å; V631-F644 HydrophobicContact CB-CE2 3.78Å; V631-F644 HydrophobicContact CB-CZ 3.56Å; V631-F644 HydrophobicContact CG1-CE1 3.92Å; V631-F644 HydrophobicContact CG1-CE2 4.47Å; V631-F644 HydrophobicContact CG1-CZ 3.76Å; V631-F644 HydrophobicContact CG2-CE2 3.92Å; V631-F644 HydrophobicContact CG2-CZ 3.97Å; V631-F644 PolarHBondContact N-O 3.23Å; V631-F644 VanDerWaalsContact N-O 3.09Å; V631-F644 PolarHBondContact O-N 2.91Å; I633-F644 HydrophobicContact CD1-CE1 4.15Å; F642-F644 HydrophobicContact CD2-CD1 4.41Å; F642-F644 HydrophobicContact CE2-CD1 4.08Å; F644-F686 HydrophobicContact CD2-CD1 4.47Å; F644-F686 HydrophobicContact CE2-CB 4.22Å; F644-F686 AromaticContact CE2-CD1 3.94Å; F644-F686 HydrophobicContact CE2-CD1 3.94Å; F644-F686 HydrophobicContact CE2-CD2 4.04Å; F644-F686 HydrophobicContact CE2-CE1 4.3Å; F644-F686 HydrophobicContact CE2-CE2 4.4Å; F644-F686 AromaticContact CE2-CG 3.8Å; F644-F686 HydrophobicContact CE2-CG 3.8Å; F644-F686 HydrophobicContact CZ-CB 4.27Å; F644-F686 HydrophobicContact CZ-CG 4.29Å; F644-G690 VanDerWaalsContact CG-CA 3.43Å
645	P	84.1	Confident	74.8	Confident	74 Å²	74	72.3 Å²	72.3	48%	0.481	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.6	179.1	31.8	-35.5	0	0	0	110.5	E647	P645-E647 VanDerWaalsContact C-N 3.33Å; P645-E647 HydrophobicContact CB-CG 4.26Å; P645-E647 PolarHBondContact O-N 2.81Å
646	V	78.5	Confident	73.5	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.024	42%	0.424	C	S	.	.			trans	-91.3	74.9	176.4	-179	0	0	0	0	108.4	V631 V657 V659 V675 F686	V631-V646 HydrophobicContact CG2-CG2 3.86Å; V646-V657 HydrophobicContact CB-CG1 4.16Å; V646-V657 HydrophobicContact CG1-CG1 3.86Å; V646-V659 HydrophobicContact CB-CG2 4.31Å; V646-V659 HydrophobicContact CG1-CG2 4.36Å; V646-V659 HydrophobicContact CG2-CG2 3.59Å; V646-V675 HydrophobicContact CG1-CB 4.25Å; V646-V675 HydrophobicContact CG1-CG1 3.64Å; V646-V675 HydrophobicContact CG1-CG2 3.47Å; V646-V675 VanDerWaalsContact CG1-CG2 3.47Å; V646-F686 HydrophobicContact CB-CZ 4.38Å; V646-F686 HydrophobicContact CG1-CE2 4.33Å; V646-F686 HydrophobicContact CG1-CZ 3.84Å; V646-F686 HydrophobicContact CG2-CZ 4.32Å
647	E	68.2	Low	72.8	Confident	143 Å²	143	70.6 Å²	70.6	67%	0.668	41%	0.408	S	S	*	.			trans	-100.5	128.9	174.7	-69.4	179.5	-174.2	0	0	109.8	P645	P645-E647 VanDerWaalsContact C-N 3.33Å; P645-E647 HydrophobicContact CB-CG 4.26Å; P645-E647 PolarHBondContact O-N 2.81Å
648	S	52.9	Low	72.6	Confident	23 Å²	23	70.2 Å²	70.2	16%	0.161	40%	0.399	C	S	.	.			trans	-75.7	130.2	172.2	169.6	0	0	0	0	109.3	T650 N651 Q695	S648-T650 PolarHBondContact O-N 2.88Å; S648-T650 PolarHBondContact OG-N 2.87Å; S648-T650 PolarHBondContact OG-OG1 3.21Å; S648-T650 VanDerWaalsContact OG-OG1 3.11Å; S648-N651 PolarHBondContact O-N 3.44Å; S648-Q695 PolarHBondContact OG-OE1 2.88Å
649	A	49.6	Very low	72.5	Confident	91 Å²	91	69.8 Å²	69.8	75%	0.752	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-22	178	0	0	0	0	0	113.9
650	T	47.9	Very low	72.2	Confident	108 Å²	108	66 Å²	66	66%	0.663	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.6	-178.8	54.8	0	0	0	0	114.3	S648	S648-T650 PolarHBondContact O-N 2.88Å; S648-T650 PolarHBondContact OG-N 2.87Å; S648-T650 PolarHBondContact OG-OG1 3.21Å; S648-T650 VanDerWaalsContact OG-OG1 3.11Å
651	N	46.4	Very low	72.1	Confident	81 Å²	81	62.5 Å²	62.5	43%	0.433	36%	0.359	S	S	.	.			trans	-111	112.7	-171.9	-102.9	-45.7	0	0	0	114.6	S648 C653	S648-N651 PolarHBondContact O-N 3.44Å; N651-C653 HydrophobicContact CB-CB 3.68Å; N651-C653 PolarHBondContact O-N 2.86Å; N651-C653 WeakPolarHBondContact OD1-CB 3.4Å
652	I	42	Very low	72.2	Confident	175 Å²	175	59.3 Å²	59.3	90%	0.897	34%	0.342	S	S	*	.			trans	-57.1	17.4	150.1	-63	152.1	0	0	0	111.7
653	C	42.7	Very low	72.3	Confident	31 Å²	31	56 Å²	56	21%	0.209	33%	0.329	C	S	.	.			trans	-106	95	-170	-155.8	0	0	0	0	109.9	N651 Q655	N651-C653 HydrophobicContact CB-CB 3.68Å; N651-C653 PolarHBondContact O-N 2.86Å; N651-C653 WeakPolarHBondContact OD1-CB 3.4Å; C653-Q655 PolarHBondContact O-N 3.42Å; C653-Q655 WeakPolarHBondContact SG-CG 3.4Å
654	L	48.5	Very low	72.4	Confident	187 Å²	187	54.9 Å²	54.9	98%	0.979	32%	0.318	S	S	*	.			trans	-63.2	29.3	170.1	-68.2	158.6	0	0	0	113.5
655	Q	61.8	Low	72.5	Confident	65 Å²	65	55 Å²	55	30%	0.304	32%	0.319	S	S	.	.			trans	-94.7	143.9	-174.3	-73.1	-172.5	-2.7	0	0	111.3	C653 V657	C653-Q655 PolarHBondContact O-N 3.42Å; C653-Q655 WeakPolarHBondContact SG-CG 3.4Å; Q655-V657 PolarHBondContact O-N 2.8Å
656	P	68.6	Low	72.5	Confident	62 Å²	62	55 Å²	55	40%	0.403	32%	0.315	S	S	.	.			trans	-64.5	132.9	176.2	27	-33.1	0	0	0	110.1	F611	F611-P656 HydrophobicContact CD2-CB 4.22Å; F611-P656 HydrophobicContact CE2-CB 3.7Å; F611-P656 HydrophobicContact CE2-CG 3.93Å
657	V	81.5	Confident	72.7	Confident	22 Å²	22	63.1 Å²	63.1	13%	0.133	35%	0.353	C	S	.	.			trans	-108.4	149.7	179.8	174	0	0	0	0	108.5	C629 V646 Q655 V675 N677	C629-V657 VanDerWaalsContact CA-O 3.31Å; C629-V657 WeakPolarHBondContact CA-O 3.34Å; V646-V657 HydrophobicContact CB-CG1 4.16Å; V646-V657 HydrophobicContact CG1-CG1 3.86Å; Q655-V657 PolarHBondContact O-N 2.8Å; V657-V675 HydrophobicContact CG1-CB 4.46Å; V657-V675 HydrophobicContact CG1-CG1 3.07Å; V657-N677 HydrophobicContact CG2-CB 4.24Å
658	V	89.8	Confident	73.4	Confident	30 Å²	30	59.5 Å²	59.5	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	174.2	-178.4	0	0	0	0	109.5	F611 T614 G628 V675 T676	F611-V658 HydrophobicContact CB-CG2 3.99Å; F611-V658 HydrophobicContact CD1-CG2 3.32Å; F611-V658 HydrophobicContact CD2-CG2 4.17Å; F611-V658 HydrophobicContact CE1-CG2 3.73Å; F611-V658 HydrophobicContact CG-CG2 3.56Å; F611-V658 HydrophobicContact CZ-CG2 4.31Å; T614-V658 HydrophobicContact CG2-CG1 3.91Å; G628-V658 WeakPolarHBondContact O-CA 3.49Å; V658-V675 WeakPolarHBondContact O-CA 3.35Å; V658-T676 PolarHBondContact N-O 2.58Å; V658-T676 PolarHBondContact O-N 2.96Å
659	V	93.5	Very high	75	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.6	168.9	-178.8	0	0	0	0	108.4	T614 G628 V631 V646 L662 A673 T674	T614-V659 VanDerWaalsContact CB-O 3.26Å; T614-V659 WeakPolarHBondContact CB-O 3.34Å; T614-V659 PolarHBondContact OG1-O 2.93Å; G628-V659 PolarHBondContact O-N 2.86Å; V631-V659 HydrophobicContact CG2-CG2 4.21Å; V646-V659 HydrophobicContact CB-CG2 4.31Å; V646-V659 HydrophobicContact CG1-CG2 4.36Å; V646-V659 HydrophobicContact CG2-CG2 3.59Å; V659-L662 HydrophobicContact CG1-CD2 3.89Å; V659-L662 HydrophobicContact CG1-CG 3.88Å; V659-A673 HydrophobicContact CG1-CB 4.02Å; V659-T674 CarbonylContact C-O 3.58Å; V659-T674 VanDerWaalsContact CA-O 3.23Å; V659-T674 WeakPolarHBondContact CA-O 3.38Å
660	G	92.1	Very high	77	Confident	17 Å²	17	60 Å²	60	18%	0.175	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-22.2	-179	0	0	0	0	0	114.6	R470 T674 S707	R470-G660 PolarHBondContact NH1-O 3.22Å; R470-G660 PolarHBondContact NH2-O 2.82Å; G660-T674 VanDerWaalsContact C-OG1 3.3Å; G660-T674 WeakPolarHBondContact CA-OG1 3.44Å; G660-T674 PolarHBondContact N-O 2.88Å; G660-T674 PolarHBondContact N-OG1 3.27Å; G660-S707 CarbonylContact C-O 3.58Å; G660-S707 VanDerWaalsContact C-O 3.28Å; G660-S707 CarbonylContact O-C 3.51Å
661	G	95.8	Very high	79.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	150.7	-175.9	0	0	0	0	0	110.5	C615 A673 T674 S707	C615-G661 VanDerWaalsContact SG-CA 3.52Å; G661-A673 WeakPolarHBondContact O-CA 3.08Å; G661-T674 PolarHBondContact N-OG1 3.41Å; G661-T674 PolarHBondContact O-N 3.39Å; G661-T674 PolarHBondContact O-OG1 2.87Å; G661-S707 VanDerWaalsContact CA-O 3.25Å; G661-S707 WeakPolarHBondContact CA-O 3.35Å; G661-S707 PolarHBondContact N-O 2.66Å
662	L	96.9	Very high	81.6	Confident	11 Å²	11	51 Å²	51	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.6	179.6	-74.1	170.7	0	0	0	110.6	T617 L625 V631 V659 V671 L672 A673	T617-L662 HydrophobicContact CG2-CB 3.61Å; L625-L662 HydrophobicContact CB-CD1 4.2Å; V631-L662 HydrophobicContact CG1-CD1 4.27Å; V631-L662 HydrophobicContact CG2-CD2 4Å; V659-L662 HydrophobicContact CG1-CD2 3.89Å; V659-L662 HydrophobicContact CG1-CG 3.88Å; L662-V671 HydrophobicContact CD2-CG1 3.93Å; L662-L672 CarbonylContact C-O 3.51Å; L662-L672 VanDerWaalsContact CA-O 3.31Å; L662-L672 WeakPolarHBondContact CA-O 3.38Å; L662-A673 HydrophobicContact CD2-CB 3.79Å
663	A	95.9	Very high	84.1	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.4	167.4	0	0	0	0	0	109.4	L672 I709 T711	A663-L672 HydrophobicContact CB-CB 4.35Å; A663-L672 PolarHBondContact N-O 2.8Å; A663-L672 PolarHBondContact O-N 2.8Å; A663-I709 HydrophobicContact CB-CG1 4.29Å; A663-I709 HydrophobicContact CB-CG2 3.98Å; A663-T711 HydrophobicContact CB-CG2 4.01Å
664	V	94.3	Very high	86.6	Confident	10 Å²	10	41.1 Å²	41.1	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.5	179.1	-175.8	0	0	0	0	109.1	T617 L625 L666 L670	T617-V664 HydrophobicContact CG2-CG2 3.82Å; L625-V664 HydrophobicContact CD2-CG2 3.98Å; V664-L666 HydrophobicContact CG1-CD2 4.23Å; V664-L666 PolarHBondContact O-N 2.96Å; V664-L670 CarbonylContact C-O 3.56Å; V664-L670 WeakPolarHBondContact CA-O 3.49Å; V664-L670 WeakPolarHBondContact CG1-O 3.33Å
665	D	91.5	Very high	88.7	Confident	14 Å²	14	32.6 Å²	32.6	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.9	164.8	-172.2	-26.5	0	0	0	107.5	E667 D668 K669 L670 L672 T711 Y732	D665-E667 PolarHBondContact OD1-N 3.29Å; D665-D668 PolarHBondContact OD1-N 2.94Å; D665-K669 CarbonylContact O-C 3.46Å; D665-K669 WeakPolarHBondContact O-CA 3.05Å; D665-K669 PolarHBondContact O-N 3.25Å; D665-L670 HydrophobicContact CB-CB 4.11Å; D665-L670 PolarHBondContact N-O 2.85Å; D665-L670 PolarHBondContact O-N 2.92Å; D665-L672 HydrophobicContact CB-CD1 4.33Å; D665-T711 HydrophobicContact CB-CG2 4.37Å; D665-Y732 HydrophobicContact CB-CE2 4.43Å; D665-Y732 PolarHBondContact OD2-OH 2.66Å
666	L	83.7	Confident	90	Very high	75 Å²	75	31.3 Å²	31.3	39%	0.393	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.2	-175.6	-63.7	175.9	0	0	0	112.5	P620 V664	P620-L666 HydrophobicContact CB-CD2 4.18Å; V664-L666 HydrophobicContact CG1-CD2 4.23Å; V664-L666 PolarHBondContact O-N 2.96Å
667	E	83.5	Confident	90.7	Very high	175 Å²	175	29.9 Å²	29.9	82%	0.818	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-50.7	-179.2	-65.9	-179.6	-177.3	0	0	109.7	D665	D665-E667 PolarHBondContact OD1-N 3.29Å
668	D	81.3	Confident	90.6	Very high	67 Å²	67	38.8 Å²	38.8	36%	0.358	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.4	-177.3	-72.2	-53	0	0	0	114.1	D665 L670 R715	D665-D668 PolarHBondContact OD1-N 2.94Å; D668-L670 VanDerWaalsContact C-N 3.29Å; D668-L670 HydrophobicContact CB-CD1 3.93Å; D668-L670 HydrophobicContact CB-CG 3.94Å; D668-L670 PolarHBondContact O-N 2.89Å; D668-R715 IonicContact OD1-CZ 2.89Å; D668-R715 IonicContact OD1-NH2 3.79Å; D668-R715 PolarHBondContact OD1-NH2 2.8Å; D668-R715 IonicContact OD2-CZ 2.78Å; D668-R715 IonicContact OD2-NE 3.37Å; D668-R715 PolarHBondContact OD2-NE 2.73Å; D668-R715 IonicContact OD2-NH2 3.77Å; D668-R715 PolarHBondContact OD2-NH2 3.15Å
669	K	87.5	Confident	90.1	Very high	110 Å²	110	44.9 Å²	44.9	48%	0.478	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	38.5	-177.9	-52.8	-174.7	179.7	-179.5	0	113.4	P620 D665	P620-K669 HydrophobicContact CB-CG 4.26Å; P620-K669 HydrophobicContact CG-CB 4.21Å; P620-K669 HydrophobicContact CG-CD 4.28Å; P620-K669 HydrophobicContact CG-CG 3.95Å; D665-K669 CarbonylContact O-C 3.46Å; D665-K669 WeakPolarHBondContact O-CA 3.05Å; D665-K669 PolarHBondContact O-N 3.25Å
670	L	92.4	Very high	89.7	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.3	178.9	-61.8	171.9	0	0	0	111.2	V664 D665 D668 L672 I685 F686 A693 Y732	V664-L670 CarbonylContact C-O 3.56Å; V664-L670 WeakPolarHBondContact CA-O 3.49Å; V664-L670 WeakPolarHBondContact CG1-O 3.33Å; D665-L670 HydrophobicContact CB-CB 4.11Å; D665-L670 PolarHBondContact N-O 2.85Å; D665-L670 PolarHBondContact O-N 2.92Å; D668-L670 VanDerWaalsContact C-N 3.29Å; D668-L670 HydrophobicContact CB-CD1 3.93Å; D668-L670 HydrophobicContact CB-CG 3.94Å; D668-L670 PolarHBondContact O-N 2.89Å; L670-L672 HydrophobicContact CB-CD1 4.26Å; L670-I685 HydrophobicContact CB-CG2 3.95Å; L670-I685 HydrophobicContact CD1-CG2 4.13Å; L670-I685 HydrophobicContact CD2-CG2 4.34Å; L670-I685 HydrophobicContact CG-CG2 4.38Å; L670-F686 CarbonylContact C-O 3.51Å; L670-F686 WeakPolarHBondContact CA-O 3.39Å; L670-A693 HydrophobicContact CD2-CB 4.2Å; L670-Y732 HydrophobicContact CD1-CD2 4.29Å; L670-Y732 HydrophobicContact CD1-CE2 4.23Å
671	V	94.3	Very high	89.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.9	174.4	-177.4	0	0	0	0	108.9	L625 L662 I685 F686 Y688	L625-V671 HydrophobicContact CD2-CB 4.42Å; L625-V671 HydrophobicContact CD2-CG1 3.81Å; L625-V671 HydrophobicContact CD2-CG2 3.68Å; L662-V671 HydrophobicContact CD2-CG1 3.93Å; V671-I685 CarbonylContact O-C 3.55Å; V671-I685 WeakPolarHBondContact O-CA 3.25Å; V671-F686 HydrophobicContact CB-CB 4.37Å; V671-F686 PolarHBondContact N-O 3.24Å; V671-F686 PolarHBondContact O-N 3.08Å; V671-Y688 HydrophobicContact CG2-CD2 3.62Å; V671-Y688 HydrophobicContact CG2-CE2 3.86Å
672	L	95.8	Very high	89.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.8	176.5	-69.5	76	0	0	0	109.2	L662 A663 D665 L670 M684 I685 I709 T711 C717 Y732	L662-L672 CarbonylContact C-O 3.51Å; L662-L672 VanDerWaalsContact CA-O 3.31Å; L662-L672 WeakPolarHBondContact CA-O 3.38Å; A663-L672 HydrophobicContact CB-CB 4.35Å; A663-L672 PolarHBondContact N-O 2.8Å; A663-L672 PolarHBondContact O-N 2.8Å; D665-L672 HydrophobicContact CB-CD1 4.33Å; L670-L672 HydrophobicContact CB-CD1 4.26Å; L672-M684 WeakPolarHBondContact CA-O 3.28Å; L672-I685 HydrophobicContact CD1-CG2 4.44Å; L672-I685 HydrophobicContact CG-CG1 4.01Å; L672-I685 HydrophobicContact CG-CG2 4.41Å; L672-I709 HydrophobicContact CB-CD1 3.89Å; L672-I709 HydrophobicContact CD2-CD1 4.14Å; L672-T711 HydrophobicContact CD1-CG2 4.09Å; L672-T711 HydrophobicContact CD2-CG2 4.22Å; L672-C717 HydrophobicContact CD2-CB 3.7Å; L672-Y732 HydrophobicContact CD1-CE2 4.4Å; L672-Y732 HydrophobicContact CD2-CD1 3.65Å; L672-Y732 HydrophobicContact CD2-CE1 3.5Å; L672-Y732 VanDerWaalsContact CD2-CE1 3.5Å; L672-Y732 HydrophobicContact CD2-CG 4.26Å
673	A	95.3	Very high	89.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.3	179.2	0	0	0	0	0	110.3	V659 G661 L662 V675 V683 M684 F686	V659-A673 HydrophobicContact CG1-CB 4.02Å; G661-A673 WeakPolarHBondContact O-CA 3.08Å; L662-A673 HydrophobicContact CD2-CB 3.79Å; A673-V675 HydrophobicContact CB-CG2 3.88Å; A673-V683 CarbonylContact O-C 3.6Å; A673-V683 WeakPolarHBondContact O-CA 3.18Å; A673-M684 PolarHBondContact N-O 2.93Å; A673-M684 PolarHBondContact O-N 2.97Å; A673-F686 HydrophobicContact CB-CD2 4.49Å; A673-F686 HydrophobicContact CB-CE2 3.98Å
674	T	95.3	Very high	89	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.3	162.4	57.1	0	0	0	0	108.3	V659 G660 G661 V683 P706 S707 I709 V719	V659-T674 CarbonylContact C-O 3.58Å; V659-T674 VanDerWaalsContact CA-O 3.23Å; V659-T674 WeakPolarHBondContact CA-O 3.38Å; G660-T674 VanDerWaalsContact C-OG1 3.3Å; G660-T674 WeakPolarHBondContact CA-OG1 3.44Å; G660-T674 PolarHBondContact N-O 2.88Å; G660-T674 PolarHBondContact N-OG1 3.27Å; G661-T674 PolarHBondContact N-OG1 3.41Å; G661-T674 PolarHBondContact O-N 3.39Å; G661-T674 PolarHBondContact O-OG1 2.87Å; T674-V683 HydrophobicContact CG2-CG2 4.5Å; T674-P706 HydrophobicContact CG2-CB 3.83Å; T674-P706 PolarHBondContact OG1-O 3.09Å; T674-S707 PolarHBondContact OG1-O 3.23Å; T674-I709 HydrophobicContact CG2-CB 3.79Å; T674-I709 HydrophobicContact CG2-CD1 4.14Å; T674-I709 HydrophobicContact CG2-CG2 4.04Å; T674-V719 HydrophobicContact CG2-CG1 3.86Å
675	V	91.6	Very high	88.9	Confident	8 Å²	8	46 Å²	46	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.7	-166.4	-178.6	0	0	0	0	109.5	V646 V657 V658 A673 S681 C682 M684	V646-V675 HydrophobicContact CG1-CB 4.25Å; V646-V675 HydrophobicContact CG1-CG1 3.64Å; V646-V675 HydrophobicContact CG1-CG2 3.47Å; V646-V675 VanDerWaalsContact CG1-CG2 3.47Å; V657-V675 HydrophobicContact CG1-CB 4.46Å; V657-V675 HydrophobicContact CG1-CG1 3.07Å; V658-V675 WeakPolarHBondContact O-CA 3.35Å; A673-V675 HydrophobicContact CB-CG2 3.88Å; V675-S681 CarbonylContact O-C 3.55Å; V675-S681 WeakPolarHBondContact O-CA 3.18Å; V675-C682 PolarHBondContact N-O 2.98Å; V675-C682 PolarHBondContact O-N 3.37Å; V675-M684 HydrophobicContact CB-CG 4.09Å; V675-M684 HydrophobicContact CG1-CG 4.49Å; V675-M684 HydrophobicContact CG2-CB 3.85Å; V675-M684 HydrophobicContact CG2-CG 3.62Å
676	T	89.6	Confident	88.9	Confident	38 Å²	38	45.4 Å²	45.4	23%	0.233	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	179	-58.2	0	0	0	0	110.5	V658 S681	V658-T676 PolarHBondContact N-O 2.58Å; V658-T676 PolarHBondContact O-N 2.96Å; T676-S681 WeakPolarHBondContact CG2-OG 3.25Å; T676-S681 PolarHBondContact OG1-OG 2.97Å
677	N	83.8	Confident	89.3	Confident	31 Å²	31	44.9 Å²	44.9	17%	0.166	21%	0.213	C	C	.	.			trans	-122.7	-172	166.6	69.9	36.5	0	0	0	109.8	V657 K679 S680	V657-N677 HydrophobicContact CG2-CB 4.24Å; N677-K679 PolarHBondContact O-N 3.02Å; N677-K679 WeakPolarHBondContact OD1-CA 3.28Å; N677-K679 PolarHBondContact OD1-N 2.77Å; N677-S680 PolarHBondContact N-O 3.08Å; N677-S680 PolarHBondContact OD1-N 2.84Å; N677-S680 PolarHBondContact OD1-O 3.41Å
678	R	79.1	Confident	89.5	Confident	209 Å²	209	38.2 Å²	38.2	79%	0.789	18%	0.18	S	C	*	.	S	Bend	trans	-66.5	-21.3	-179	-70.9	-172.6	178.9	179.3	1.1	114.6
679	K	79.8	Confident	89.8	Confident	158 Å²	158	40 Å²	40	69%	0.687	19%	0.19	S	C	*	.	S	Bend	trans	-104.9	-37.2	-173.5	-67.3	-176.4	177.6	177.8	0	113.3	N677	N677-K679 PolarHBondContact O-N 3.02Å; N677-K679 WeakPolarHBondContact OD1-CA 3.28Å; N677-K679 PolarHBondContact OD1-N 2.77Å
680	S	84.7	Confident	89.8	Confident	47 Å²	47	35.5 Å²	35.5	33%	0.329	17%	0.174	S	C	.	.			trans	-153.8	160.4	-168.5	61.2	0	0	0	0	112.3	N677	N677-S680 PolarHBondContact N-O 3.08Å; N677-S680 PolarHBondContact OD1-N 2.84Å; N677-S680 PolarHBondContact OD1-O 3.41Å
681	S	90.2	Very high	89.6	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.3	173.4	-46	0	0	0	0	109.7	V675 T676 R704	V675-S681 CarbonylContact O-C 3.55Å; V675-S681 WeakPolarHBondContact O-CA 3.18Å; T676-S681 WeakPolarHBondContact CG2-OG 3.25Å; T676-S681 PolarHBondContact OG1-OG 2.97Å; S681-R704 PolarHBondContact OG-O 3.29Å
682	C	90.7	Very high	89.2	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	173	-176.4	61.9	0	0	0	0	110.7	V675 Q695 I696 D697	V675-C682 PolarHBondContact N-O 2.98Å; V675-C682 PolarHBondContact O-N 3.37Å; C682-Q695 HydrophobicContact CB-CG 4.36Å; C682-I696 WeakPolarHBondContact CA-O 3.41Å; C682-I696 VanDerWaalsContact CB-O 3.29Å; C682-I696 WeakPolarHBondContact CB-O 3.07Å; C682-D697 HydrophobicContact CB-CB 4.4Å
683	V	92.4	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.3	163	-173.8	0	0	0	0	108	A673 T674 I685 Q695 I696 L703 I709 V719	A673-V683 CarbonylContact O-C 3.6Å; A673-V683 WeakPolarHBondContact O-CA 3.18Å; T674-V683 HydrophobicContact CG2-CG2 4.5Å; V683-I685 HydrophobicContact CG1-CD1 4.24Å; V683-Q695 CarbonylContact O-C 3.59Å; V683-Q695 WeakPolarHBondContact O-CA 3.35Å; V683-I696 HydrophobicContact CB-CB 4.03Å; V683-I696 HydrophobicContact CB-CD1 4.22Å; V683-I696 HydrophobicContact CB-CG1 4.29Å; V683-I696 HydrophobicContact CG1-CD1 4.47Å; V683-I696 PolarHBondContact N-O 3.03Å; V683-I696 PolarHBondContact O-N 2.99Å; V683-L703 HydrophobicContact CG2-CD1 3.8Å; V683-I709 HydrophobicContact CG1-CD1 3.58Å; V683-I709 HydrophobicContact CG2-CD1 4.39Å; V683-V719 HydrophobicContact CG2-CG2 3.73Å
684	M	91.2	Very high	88.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.4	172.8	-67.2	-70.6	-68.1	0	0	108.8	L672 A673 V675 F686 V692 Q695	L672-M684 WeakPolarHBondContact CA-O 3.28Å; A673-M684 PolarHBondContact N-O 2.93Å; A673-M684 PolarHBondContact O-N 2.97Å; V675-M684 HydrophobicContact CB-CG 4.09Å; V675-M684 HydrophobicContact CG1-CG 4.49Å; V675-M684 HydrophobicContact CG2-CB 3.85Å; V675-M684 HydrophobicContact CG2-CG 3.62Å; M684-F686 HydrophobicContact CB-CD2 4.26Å; M684-F686 HydrophobicContact CB-CE1 4.49Å; M684-F686 HydrophobicContact CB-CE2 3.36Å; M684-F686 HydrophobicContact CB-CZ 3.5Å; M684-F686 VanDerWaalsContact CB-CZ 3.5Å; M684-F686 HydrophobicContact CE-CE1 4.16Å; M684-F686 HydrophobicContact CE-CZ 4Å; M684-F686 HydrophobicContact CG-CE2 4.43Å; M684-F686 HydrophobicContact CG-CZ 4.15Å; M684-V692 HydrophobicContact CE-CB 4.32Å; M684-V692 HydrophobicContact CE-CG1 3.64Å; M684-V692 HydrophobicContact CE-CG2 3.64Å; M684-Q695 HydrophobicContact SD-CB 3.7Å; M684-Q695 HydrophobicContact SD-CG 3.52Å; M684-Q695 VanDerWaalsContact SD-CG 3.52Å
685	I	92.3	Very high	87.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.7	175.3	-55.9	81.6	0	0	0	107.1	L670 V671 L672 V683 A693 N694 I696 Y732	L670-I685 HydrophobicContact CB-CG2 3.95Å; L670-I685 HydrophobicContact CD1-CG2 4.13Å; L670-I685 HydrophobicContact CD2-CG2 4.34Å; L670-I685 HydrophobicContact CG-CG2 4.38Å; V671-I685 CarbonylContact O-C 3.55Å; V671-I685 WeakPolarHBondContact O-CA 3.25Å; L672-I685 HydrophobicContact CD1-CG2 4.44Å; L672-I685 HydrophobicContact CG-CG1 4.01Å; L672-I685 HydrophobicContact CG-CG2 4.41Å; V683-I685 HydrophobicContact CG1-CD1 4.24Å; I685-A693 HydrophobicContact CG2-CB 4.26Å; I685-A693 PolarHBondContact O-N 3.4Å; I685-N694 HydrophobicContact CB-CB 4.09Å; I685-N694 HydrophobicContact CD1-CB 3.95Å; I685-N694 HydrophobicContact CG1-CB 4.36Å; I685-N694 PolarHBondContact N-O 2.92Å; I685-N694 PolarHBondContact O-N 3.11Å; I685-N694 VanDerWaalsContact O-N 3.15Å; I685-I696 HydrophobicContact CD1-CD1 4.02Å; I685-I696 HydrophobicContact CD1-CG1 3.79Å; I685-Y732 HydrophobicContact CG1-CG 4.33Å
686	F	92.2	Very high	87.5	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145	-178.6	-56.8	-87	0	0	0	109.9	F644 V646 L670 V671 A673 M684 G690 T691 V692	F644-F686 HydrophobicContact CD2-CD1 4.47Å; F644-F686 HydrophobicContact CE2-CB 4.22Å; F644-F686 AromaticContact CE2-CD1 3.94Å; F644-F686 HydrophobicContact CE2-CD1 3.94Å; F644-F686 HydrophobicContact CE2-CD2 4.04Å; F644-F686 HydrophobicContact CE2-CE1 4.3Å; F644-F686 HydrophobicContact CE2-CE2 4.4Å; F644-F686 AromaticContact CE2-CG 3.8Å; F644-F686 HydrophobicContact CE2-CG 3.8Å; F644-F686 HydrophobicContact CZ-CB 4.27Å; F644-F686 HydrophobicContact CZ-CG 4.29Å; V646-F686 HydrophobicContact CB-CZ 4.38Å; V646-F686 HydrophobicContact CG1-CE2 4.33Å; V646-F686 HydrophobicContact CG1-CZ 3.84Å; V646-F686 HydrophobicContact CG2-CZ 4.32Å; L670-F686 CarbonylContact C-O 3.51Å; L670-F686 WeakPolarHBondContact CA-O 3.39Å; V671-F686 HydrophobicContact CB-CB 4.37Å; V671-F686 PolarHBondContact N-O 3.24Å; V671-F686 PolarHBondContact O-N 3.08Å; A673-F686 HydrophobicContact CB-CD2 4.49Å; A673-F686 HydrophobicContact CB-CE2 3.98Å; M684-F686 HydrophobicContact CB-CD2 4.26Å; M684-F686 HydrophobicContact CB-CE1 4.49Å; M684-F686 HydrophobicContact CB-CE2 3.36Å; M684-F686 HydrophobicContact CB-CZ 3.5Å; M684-F686 VanDerWaalsContact CB-CZ 3.5Å; M684-F686 HydrophobicContact CE-CE1 4.16Å; M684-F686 HydrophobicContact CE-CZ 4Å; M684-F686 HydrophobicContact CG-CE2 4.43Å; M684-F686 HydrophobicContact CG-CZ 4.15Å; F686-G690 WeakPolarHBondContact CD1-O 3.35Å; F686-T691 CarbonylContact C-O 3.6Å; F686-T691 VanDerWaalsContact CA-O 3.25Å; F686-T691 WeakPolarHBondContact CA-O 3.41Å; F686-V692 HydrophobicContact CD1-CG2 4.02Å; F686-V692 HydrophobicContact CE1-CG2 3.7Å
687	N	91.5	Very high	87	Confident	65 Å²	65	47.5 Å²	47.5	35%	0.348	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	159.5	155.7	-61.1	-53	0	0	0	108.7	D689 G690 T691	N687-D689 VanDerWaalsContact CB-OD1 3.31Å; N687-D689 WeakPolarHBondContact CB-OD1 3.44Å; N687-D689 PolarHBondContact O-N 2.72Å; N687-G690 PolarHBondContact O-N 3.16Å; N687-T691 WeakPolarHBondContact CB-OG1 3.45Å; N687-T691 PolarHBondContact N-O 3.41Å; N687-T691 PolarHBondContact ND2-OG1 3.48Å
688	Y	89.2	Confident	86.5	Confident	35 Å²	35	46 Å²	46	14%	0.137	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.8	-176.3	-146.8	-103.2	0	0	0	114.3	P620 D623 L625 I633 F642 V671 G690	P620-Y688 HydrophobicContact CG-CE2 4.31Å; D623-Y688 VanDerWaalsContact CB-OH 3.3Å; D623-Y688 WeakPolarHBondContact CB-OH 3.26Å; D623-Y688 PolarHBondContact OD2-OH 2.95Å; L625-Y688 HydrophobicContact CD1-CE2 4.42Å; L625-Y688 VanDerWaalsContact CD1-OH 3.29Å; L625-Y688 WeakPolarHBondContact CD1-OH 3.26Å; L625-Y688 HydrophobicContact CD2-CE2 4.2Å; I633-Y688 HydrophobicContact CD1-CD1 4.4Å; I633-Y688 HydrophobicContact CD1-CE1 3.94Å; I633-Y688 HydrophobicContact CD1-CE2 4.49Å; I633-Y688 HydrophobicContact CG2-CE1 4.47Å; F642-Y688 WeakPolarHBondContact CZ-O 3.28Å; V671-Y688 HydrophobicContact CG2-CD2 3.62Å; V671-Y688 HydrophobicContact CG2-CE2 3.86Å; Y688-G690 VanDerWaalsContact C-N 3.29Å
689	D	87.6	Confident	86.2	Confident	105 Å²	105	41.5 Å²	41.5	56%	0.561	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-2	173.6	68.6	-2.2	0	0	0	114	N687 T691	N687-D689 VanDerWaalsContact CB-OD1 3.31Å; N687-D689 WeakPolarHBondContact CB-OD1 3.44Å; N687-D689 PolarHBondContact O-N 2.72Å; D689-T691 WeakPolarHBondContact OD1-CB 3.37Å; D689-T691 WeakPolarHBondContact OD1-CG2 3.39Å; D689-T691 PolarHBondContact OD1-N 3.12Å; D689-T691 PolarHBondContact OD1-OG1 3.07Å
690	G	87	Confident	85.9	Confident	14 Å²	14	39.9 Å²	39.9	14%	0.144	22%	0.222	C	C	.	.	S	Bend	trans	90.3	-0.8	-178.8	0	0	0	0	0	114.9	F644 F686 N687 Y688	F644-G690 VanDerWaalsContact CG-CA 3.43Å; F686-G690 WeakPolarHBondContact CD1-O 3.35Å; N687-G690 PolarHBondContact O-N 3.16Å; Y688-G690 VanDerWaalsContact C-N 3.29Å
691	T	88.9	Confident	85.7	Confident	68 Å²	68	38.3 Å²	38.3	42%	0.417	21%	0.21	S	C	.	.			trans	-72.9	140.3	174.6	59.4	0	0	0	0	111.2	F686 N687 D689 A693	F686-T691 CarbonylContact C-O 3.6Å; F686-T691 VanDerWaalsContact CA-O 3.25Å; F686-T691 WeakPolarHBondContact CA-O 3.41Å; N687-T691 WeakPolarHBondContact CB-OG1 3.45Å; N687-T691 PolarHBondContact N-O 3.41Å; N687-T691 PolarHBondContact ND2-OG1 3.48Å; D689-T691 WeakPolarHBondContact OD1-CB 3.37Å; D689-T691 WeakPolarHBondContact OD1-CG2 3.39Å; D689-T691 PolarHBondContact OD1-N 3.12Å; D689-T691 PolarHBondContact OD1-OG1 3.07Å; T691-A693 PolarHBondContact O-N 2.89Å
692	V	85.4	Confident	85.5	Confident	54 Å²	54	43.8 Å²	43.8	33%	0.327	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.4	-178	-179.4	0	0	0	0	110.3	M684 F686	M684-V692 HydrophobicContact CE-CB 4.32Å; M684-V692 HydrophobicContact CE-CG1 3.64Å; M684-V692 HydrophobicContact CE-CG2 3.64Å; F686-V692 HydrophobicContact CD1-CG2 4.02Å; F686-V692 HydrophobicContact CE1-CG2 3.7Å
693	A	85.5	Confident	85.5	Confident	34 Å²	34	44 Å²	44	28%	0.281	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-42.3	175.1	0	0	0	0	0	112.2	L670 I685 T691	L670-A693 HydrophobicContact CD2-CB 4.2Å; I685-A693 HydrophobicContact CG2-CB 4.26Å; I685-A693 PolarHBondContact O-N 3.4Å; T691-A693 PolarHBondContact O-N 2.89Å
694	N	84.4	Confident	85.4	Confident	26 Å²	26	50 Å²	50	14%	0.139	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.5	-179.7	-169.6	-6.1	0	0	0	111.1	L355 I685 K733	L355-N694 VanDerWaalsContact CD2-ND2 3.3Å; L355-N694 WeakPolarHBondContact CD2-ND2 3.4Å; I685-N694 HydrophobicContact CB-CB 4.09Å; I685-N694 HydrophobicContact CD1-CB 3.95Å; I685-N694 HydrophobicContact CG1-CB 4.36Å; I685-N694 PolarHBondContact N-O 2.92Å; I685-N694 PolarHBondContact O-N 3.11Å; I685-N694 VanDerWaalsContact O-N 3.15Å; N694-K733 HydrophobicContact CB-CB 3.9Å; N694-K733 WeakPolarHBondContact ND2-CB 3.03Å; N694-K733 PolarHBondContact ND2-N 2.91Å
695	Q	85.4	Confident	85.4	Confident	56 Å²	56	56.3 Å²	56.3	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.8	170.3	177	178.8	-23.2	0	0	109.8	S648 C682 V683 M684	S648-Q695 PolarHBondContact OG-OE1 2.88Å; C682-Q695 HydrophobicContact CB-CG 4.36Å; V683-Q695 CarbonylContact O-C 3.59Å; V683-Q695 WeakPolarHBondContact O-CA 3.35Å; M684-Q695 HydrophobicContact SD-CB 3.7Å; M684-Q695 HydrophobicContact SD-CG 3.52Å; M684-Q695 VanDerWaalsContact SD-CG 3.52Å
696	I	86.5	Confident	85.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.6	173.9	-48.4	179.3	0	0	0	108.3	N444 C682 V683 I685 Y730	N444-I696 HydrophobicContact CB-CG2 4.29Å; C682-I696 WeakPolarHBondContact CA-O 3.41Å; C682-I696 VanDerWaalsContact CB-O 3.29Å; C682-I696 WeakPolarHBondContact CB-O 3.07Å; V683-I696 HydrophobicContact CB-CB 4.03Å; V683-I696 HydrophobicContact CB-CD1 4.22Å; V683-I696 HydrophobicContact CB-CG1 4.29Å; V683-I696 HydrophobicContact CG1-CD1 4.47Å; V683-I696 PolarHBondContact N-O 3.03Å; V683-I696 PolarHBondContact O-N 2.99Å; I685-I696 HydrophobicContact CD1-CD1 4.02Å; I685-I696 HydrophobicContact CD1-CG1 3.79Å; I696-Y730 HydrophobicContact CD1-CG 4.42Å; I696-Y730 HydrophobicContact CG2-CD1 3.83Å; I696-Y730 HydrophobicContact CG2-CE1 4.28Å; I696-Y730 HydrophobicContact CG2-CG 3.96Å
697	D	78.4	Confident	85.5	Confident	73 Å²	73	57 Å²	57	39%	0.39	29%	0.285	S	S	.	.			trans	-122.7	92.3	169.2	-173	5.1	0	0	0	108.8	C682 F699	C682-D697 HydrophobicContact CB-CB 4.4Å; D697-F699 PolarHBondContact O-N 3.34Å
698	S	74.9	Confident	85.6	Confident	1 Å²	1	54 Å²	54	1%	0.007	27%	0.268	C	S	.	.			trans	-78.7	116	-172.4	-53.2	0	0	0	0	111.5	N444 S701 K702 Y730	N444-S698 WeakPolarHBondContact O-CA 3.5Å; N444-S698 VanDerWaalsContact O-CB 3.22Å; N444-S698 WeakPolarHBondContact O-CB 3.33Å; N444-S698 PolarHBondContact O-OG 2.83Å; S698-S701 CarbonylContact O-C 3.58Å; S698-S701 PolarHBondContact O-N 2.86Å; S698-K702 WeakPolarHBondContact O-CA 3.21Å; S698-K702 WeakPolarHBondContact O-CG 3.18Å; S698-K702 PolarHBondContact O-N 2.88Å; S698-K702 VanDerWaalsContact O-N 3.08Å; S698-Y730 WeakPolarHBondContact OG-CE1 3.49Å
699	F	72.8	Confident	86	Confident	113 Å²	113	52.9 Å²	52.9	50%	0.496	27%	0.265	S	S	.	.	S	Bend	trans	-63.3	-47.2	-177.4	-175	-97.4	0	0	0	113.4	H443 D697	H443-F699 HydrophobicContact CB-CB 4Å; H443-F699 AromaticContact CD2-CG 3.9Å; H443-F699 AromaticContact NE2-CG 3.87Å; D697-F699 PolarHBondContact O-N 3.34Å
700	N	73.5	Confident	86.4	Confident	125 Å²	125	48.7 Å²	48.7	67%	0.668	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.8	-179.2	-71.6	-23.6	0	0	0	113.7	N445	N445-N700 PolarHBondContact OD1-N 2.8Å
701	S	79.2	Confident	86.7	Confident	13 Å²	13	50 Å²	50	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	54.2	179.8	-166.1	0	0	0	0	110.9	Q449 S698 L703 K728 Y730	Q449-S701 PolarHBondContact OE1-OG 3.43Å; S698-S701 CarbonylContact O-C 3.58Å; S698-S701 PolarHBondContact O-N 2.86Å; S701-L703 PolarHBondContact O-N 3.35Å; S701-K728 PolarHBondContact O-NZ 3.34Å; S701-K728 VanDerWaalsContact OG-CD 3.29Å; S701-K728 WeakPolarHBondContact OG-CD 3.32Å; S701-K728 WeakPolarHBondContact OG-CE 3.41Å; S701-K728 PolarHBondContact OG-NZ 3.39Å; S701-Y730 PolarHBondContact O-OH 3.41Å
702	K	85.9	Confident	86.8	Confident	125 Å²	125	47.8 Å²	47.8	54%	0.543	24%	0.235	S	C	.	.			trans	-55.7	137.9	-177.8	-68.9	-176.7	-180	-178.9	0	111.5	S698 N724 K728	S698-K702 WeakPolarHBondContact O-CA 3.21Å; S698-K702 WeakPolarHBondContact O-CG 3.18Å; S698-K702 PolarHBondContact O-N 2.88Å; S698-K702 VanDerWaalsContact O-N 3.08Å; K702-N724 PolarHBondContact O-ND2 3.25Å; K702-N724 VanDerWaalsContact O-ND2 3.08Å; K702-K728 PolarHBondContact O-NZ 3.27Å
703	L	90.4	Very high	86.7	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-79.2	138.4	174.3	-65.8	171.4	0	0	0	109.4	V683 S701 P706 V719 D721 K728 Y730	V683-L703 HydrophobicContact CG2-CD1 3.8Å; S701-L703 PolarHBondContact O-N 3.35Å; L703-P706 HydrophobicContact CB-CB 4.27Å; L703-P706 HydrophobicContact CB-CG 3.99Å; L703-P706 HydrophobicContact CD1-CB 4.03Å; L703-P706 HydrophobicContact CD1-CG 4.13Å; L703-P706 HydrophobicContact CD2-CB 4.27Å; L703-P706 HydrophobicContact CG-CB 4.43Å; L703-V719 HydrophobicContact CD1-CG1 4.45Å; L703-V719 HydrophobicContact CD2-CG1 4.06Å; L703-D721 WeakPolarHBondContact CA-OD2 3.29Å; L703-D721 HydrophobicContact CD2-CB 3.99Å; L703-K728 HydrophobicContact CD2-CD 3.97Å; L703-Y730 HydrophobicContact CD1-CE2 4.49Å; L703-Y730 HydrophobicContact CD2-CE2 4.14Å
704	R	90.5	Very high	86.4	Confident	127 Å²	127	53.5 Å²	53.5	48%	0.479	26%	0.256	S	S	.	.	S	Bend	trans	-104.2	-55.2	178.6	-176.9	167.6	177.9	-95.7	-0	111.8	S681 D721 G723	S681-R704 PolarHBondContact OG-O 3.29Å; R704-D721 PolarHBondContact N-OD1 3.06Å; R704-D721 VanDerWaalsContact N-OD1 3.12Å; R704-D721 PolarHBondContact N-OD2 3.39Å; R704-D721 VanDerWaalsContact N-OD2 3.16Å; R704-G723 WeakPolarHBondContact CD-O 3.29Å; R704-G723 PolarHBondContact NH1-O 3.09Å
705	R	91.4	Very high	86.5	Confident	134 Å²	134	56.2 Å²	56.2	51%	0.506	26%	0.264	S	S	.	.	S	Bend	trans	-140.7	73.8	172.7	-66.8	-172.1	-178	113.5	-0.1	108.7	S707 D721 L722	R705-S707 PolarHBondContact O-N 3.17Å; R705-D721 PolarHBondContact N-OD1 3.17Å; R705-L722 HydrophobicContact CB-CB 4.46Å; R705-L722 WeakPolarHBondContact O-CB 3.36Å; R705-L722 PolarHBondContact O-N 3Å
706	P	94.4	Very high	86.8	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.8	176.7	32.3	-35.2	0	0	0	108.9	T674 L703 V719 A720	T674-P706 HydrophobicContact CG2-CB 3.83Å; T674-P706 PolarHBondContact OG1-O 3.09Å; L703-P706 HydrophobicContact CB-CB 4.27Å; L703-P706 HydrophobicContact CB-CG 3.99Å; L703-P706 HydrophobicContact CD1-CB 4.03Å; L703-P706 HydrophobicContact CD1-CG 4.13Å; L703-P706 HydrophobicContact CD2-CB 4.27Å; L703-P706 HydrophobicContact CG-CB 4.43Å; P706-V719 HydrophobicContact CB-CG1 3.64Å; P706-A720 WeakPolarHBondContact CA-O 3.37Å
707	S	92.2	Very high	87.1	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-99.2	-179.7	51.4	0	0	0	0	107.8	P468 V469 G660 G661 T674 R705 A720	P468-S707 PolarHBondContact O-OG 3.14Å; V469-S707 WeakPolarHBondContact O-CB 3.31Å; V469-S707 PolarHBondContact O-OG 2.85Å; G660-S707 CarbonylContact C-O 3.58Å; G660-S707 VanDerWaalsContact C-O 3.28Å; G660-S707 CarbonylContact O-C 3.51Å; G661-S707 VanDerWaalsContact CA-O 3.25Å; G661-S707 WeakPolarHBondContact CA-O 3.35Å; G661-S707 PolarHBondContact N-O 2.66Å; T674-S707 PolarHBondContact OG1-O 3.23Å; R705-S707 PolarHBondContact O-N 3.17Å; S707-A720 PolarHBondContact N-O 3.28Å; S707-A720 PolarHBondContact OG-O 3.08Å
708	G	94.7	Very high	88	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.4	-178.7	0	0	0	0	0	113.4	V469 R470 V719 A720	V469-G708 WeakPolarHBondContact O-CA 3.24Å; V469-G708 PolarHBondContact O-N 3.41Å; R470-G708 VanDerWaalsContact NH1-N 3.16Å; G708-V719 WeakPolarHBondContact O-CA 3.32Å; G708-A720 PolarHBondContact O-N 3.41Å
709	I	97.5	Very high	89	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.4	173.9	-176.7	166.9	0	0	0	108.6	A663 L672 T674 V683 C717 L718 V719	A663-I709 HydrophobicContact CB-CG1 4.29Å; A663-I709 HydrophobicContact CB-CG2 3.98Å; L672-I709 HydrophobicContact CB-CD1 3.89Å; L672-I709 HydrophobicContact CD2-CD1 4.14Å; T674-I709 HydrophobicContact CG2-CB 3.79Å; T674-I709 HydrophobicContact CG2-CD1 4.14Å; T674-I709 HydrophobicContact CG2-CG2 4.04Å; V683-I709 HydrophobicContact CG1-CD1 3.58Å; V683-I709 HydrophobicContact CG2-CD1 4.39Å; I709-C717 HydrophobicContact CD1-CB 4.17Å; I709-C717 HydrophobicContact CG1-CB 4.1Å; I709-L718 CarbonylContact C-O 3.45Å; I709-L718 VanDerWaalsContact CA-O 3.23Å; I709-L718 WeakPolarHBondContact CA-O 3.15Å; I709-V719 HydrophobicContact CD1-CG2 4Å; I709-V719 HydrophobicContact CG1-CG2 4.12Å
710	C	95.5	Very high	90.1	Very high	16 Å²	16	45.1 Å²	45.1	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.8	170.2	68.8	0	0	0	0	110.4	V471 C717 L718	V471-C710 WeakPolarHBondContact O-CB 3.46Å; C710-C717 CarbonylContact O-C 3.53Å; C710-C717 WeakPolarHBondContact O-CA 3.09Å; C710-C717 VanDerWaalsContact O-CB 3.31Å; C710-C717 WeakPolarHBondContact O-CB 3.16Å; C710-L718 PolarHBondContact N-O 3.26Å; C710-L718 PolarHBondContact O-N 2.62Å
711	T	93.8	Very high	91.2	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.252	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.2	175.1	53.8	0	0	0	0	109.9	A663 D665 L672	A663-T711 HydrophobicContact CB-CG2 4.01Å; D665-T711 HydrophobicContact CB-CG2 4.37Å; L672-T711 HydrophobicContact CD1-CG2 4.09Å; L672-T711 HydrophobicContact CD2-CG2 4.22Å
712	V	89.7	Confident	91.8	Very high	23 Å²	23	40.8 Å²	40.8	14%	0.139	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	168.7	175.2	-170.2	0	0	0	0	106.8	V473 C716 L718	V473-V712 HydrophobicContact CG2-CG2 3.96Å; V712-C716 HydrophobicContact CB-CB 4.29Å; V712-C716 PolarHBondContact N-O 3.2Å; V712-L718 HydrophobicContact CG2-CD1 4.09Å; V712-L718 HydrophobicContact CG2-CG 3.86Å
713	H	83.3	Confident	92	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.398	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	160.3	174.4	65.7	85.7	0	0	0	112.6	C716	H713-C716 WeakPolarHBondContact O-CB 3.43Å; H713-C716 PolarHBondContact O-N 3.29Å
714	D	79.4	Confident	92.1	Very high	122 Å²	122	38.1 Å²	38.1	65%	0.652	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	47.8	174.7	-47	-27.2	0	0	0	114.6	C716	D714-C716 PolarHBondContact O-N 2.85Å; D714-C716 VanDerWaalsContact O-N 3.12Å; D714-C716 PolarHBondContact O-SG 2.74Å
715	R	86.6	Confident	92.3	Very high	82 Å²	82	34.7 Å²	34.7	31%	0.309	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	42.5	-179.1	-65.3	-170.5	174.7	-174.6	2.8	112.7	D668 R731 Y732 K733	D668-R715 IonicContact OD1-CZ 2.89Å; D668-R715 IonicContact OD1-NH2 3.79Å; D668-R715 PolarHBondContact OD1-NH2 2.8Å; D668-R715 IonicContact OD2-CZ 2.78Å; D668-R715 IonicContact OD2-NE 3.37Å; D668-R715 PolarHBondContact OD2-NE 2.73Å; D668-R715 IonicContact OD2-NH2 3.77Å; D668-R715 PolarHBondContact OD2-NH2 3.15Å; R715-R731 CarbonylContact O-C 3.56Å; R715-R731 WeakPolarHBondContact O-CA 3.2Å; R715-Y732 HydrophobicContact CB-CD2 4.06Å; R715-Y732 HydrophobicContact CB-CE2 3.87Å; R715-Y732 HydrophobicContact CG-CE2 4.12Å; R715-Y732 WeakPolarHBondContact O-CD1 3.06Å; R715-Y732 VanDerWaalsContact O-CE1 3.32Å; R715-Y732 WeakPolarHBondContact O-CE1 3.16Å; R715-Y732 PolarHBondContact O-N 3.08Å; R715-K733 PolarHBondContact NH1-O 2.95Å; R715-K733 PolarHBondContact NH1-OXT 3.01Å
716	C	91.4	Very high	92.4	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	151.2	176.3	-70.8	0	0	0	0	111.4	V712 H713 D714 K729 Y730 Y732	V712-C716 HydrophobicContact CB-CB 4.29Å; V712-C716 PolarHBondContact N-O 3.2Å; H713-C716 WeakPolarHBondContact O-CB 3.43Å; H713-C716 PolarHBondContact O-N 3.29Å; D714-C716 PolarHBondContact O-N 2.85Å; D714-C716 VanDerWaalsContact O-N 3.12Å; D714-C716 PolarHBondContact O-SG 2.74Å; C716-K729 HydrophobicContact CB-CG 4.43Å; C716-Y730 CarbonylContact C-O 3.5Å; C716-Y730 WeakPolarHBondContact CA-O 3.31Å; C716-Y732 WeakPolarHBondContact O-CE1 3.43Å
717	C	94.3	Very high	92.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.6	171.7	65	0	0	0	0	110.8	L672 I709 C710 K729 Y730 Y732	L672-C717 HydrophobicContact CD2-CB 3.7Å; I709-C717 HydrophobicContact CD1-CB 4.17Å; I709-C717 HydrophobicContact CG1-CB 4.1Å; C710-C717 CarbonylContact O-C 3.53Å; C710-C717 WeakPolarHBondContact O-CA 3.09Å; C710-C717 VanDerWaalsContact O-CB 3.31Å; C710-C717 WeakPolarHBondContact O-CB 3.16Å; C717-K729 WeakPolarHBondContact O-CA 3.39Å; C717-Y730 PolarHBondContact N-O 2.75Å; C717-Y730 PolarHBondContact O-N 3.16Å; C717-Y732 HydrophobicContact CB-CD1 4.24Å; C717-Y732 HydrophobicContact CB-CE1 4.01Å
718	L	95.9	Very high	92.4	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.8	166.3	-64.8	173.5	0	0	0	109.2	W448 V471 V473 I478 I709 C710 V712 I727 K728 K729	W448-L718 HydrophobicContact CE3-CD2 4.27Å; W448-L718 HydrophobicContact CZ3-CD2 4.19Å; V471-L718 HydrophobicContact CG1-CB 3.97Å; V471-L718 HydrophobicContact CG2-CB 4.01Å; V471-L718 HydrophobicContact CG2-CD1 3.97Å; V473-L718 HydrophobicContact CG2-CD1 3.45Å; V473-L718 VanDerWaalsContact CG2-CD1 3.45Å; I478-L718 HydrophobicContact CB-CD1 4.46Å; I478-L718 HydrophobicContact CD1-CD1 3.95Å; I478-L718 HydrophobicContact CG1-CD1 3.97Å; I478-L718 HydrophobicContact CG2-CD1 3.69Å; I709-L718 CarbonylContact C-O 3.45Å; I709-L718 VanDerWaalsContact CA-O 3.23Å; I709-L718 WeakPolarHBondContact CA-O 3.15Å; C710-L718 PolarHBondContact N-O 3.26Å; C710-L718 PolarHBondContact O-N 2.62Å; V712-L718 HydrophobicContact CG2-CD1 4.09Å; V712-L718 HydrophobicContact CG2-CG 3.86Å; L718-I727 HydrophobicContact CB-CG2 4.1Å; L718-I727 HydrophobicContact CD2-CG2 4.07Å; L718-K728 CarbonylContact C-O 3.53Å; L718-K728 WeakPolarHBondContact CA-O 3.32Å; L718-K729 HydrophobicContact CD2-CB 3.59Å; L718-K729 HydrophobicContact CD2-CD 4.4Å; L718-K729 HydrophobicContact CD2-CG 3.89Å
719	V	96.9	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.7	178.9	-179.2	0	0	0	0	108.7	T674 V683 L703 P706 G708 I709 D721 I727 K728 Y730	T674-V719 HydrophobicContact CG2-CG1 3.86Å; V683-V719 HydrophobicContact CG2-CG2 3.73Å; L703-V719 HydrophobicContact CD1-CG1 4.45Å; L703-V719 HydrophobicContact CD2-CG1 4.06Å; P706-V719 HydrophobicContact CB-CG1 3.64Å; G708-V719 WeakPolarHBondContact O-CA 3.32Å; I709-V719 HydrophobicContact CD1-CG2 4Å; I709-V719 HydrophobicContact CG1-CG2 4.12Å; V719-D721 PolarHBondContact O-N 3.11Å; V719-I727 CarbonylContact O-C 3.51Å; V719-I727 WeakPolarHBondContact O-CA 3.46Å; V719-K728 PolarHBondContact N-O 3.45Å; V719-K728 PolarHBondContact O-N 2.91Å; V719-Y730 HydrophobicContact CB-CD2 4.48Å; V719-Y730 HydrophobicContact CB-CE2 4.28Å; V719-Y730 HydrophobicContact CG2-CD2 3.89Å; V719-Y730 HydrophobicContact CG2-CE2 4.09Å
720	A	96.6	Very high	92	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.6	166.4	0	0	0	0	0	109.2	V471 P706 S707 G708 L722 I727	V471-A720 HydrophobicContact CG1-CB 4.31Å; P706-A720 WeakPolarHBondContact CA-O 3.37Å; S707-A720 PolarHBondContact N-O 3.28Å; S707-A720 PolarHBondContact OG-O 3.08Å; G708-A720 PolarHBondContact O-N 3.41Å; A720-L722 PolarHBondContact O-N 3.15Å; A720-I727 HydrophobicContact CB-CD1 3.64Å
721	D	94.8	Very high	91.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	83.5	175.8	-170.6	0.1	0	0	0	109.4	L703 R704 R705 V719 G723 N724 N725 C726 K728	L703-D721 WeakPolarHBondContact CA-OD2 3.29Å; L703-D721 HydrophobicContact CD2-CB 3.99Å; R704-D721 PolarHBondContact N-OD1 3.06Å; R704-D721 VanDerWaalsContact N-OD1 3.12Å; R704-D721 PolarHBondContact N-OD2 3.39Å; R704-D721 VanDerWaalsContact N-OD2 3.16Å; R705-D721 PolarHBondContact N-OD1 3.17Å; V719-D721 PolarHBondContact O-N 3.11Å; D721-G723 PolarHBondContact O-N 2.94Å; D721-G723 VanDerWaalsContact O-N 3.11Å; D721-G723 PolarHBondContact OD1-N 3.27Å; D721-N724 HydrophobicContact CB-CB 4.43Å; D721-N724 CarbonylContact O-C 3.57Å; D721-N724 PolarHBondContact O-N 3.24Å; D721-N724 PolarHBondContact OD2-ND2 2.8Å; D721-N725 PolarHBondContact O-N 2.72Å; D721-C726 PolarHBondContact N-O 3.46Å; D721-C726 PolarHBondContact O-N 3.35Å; D721-K728 IonicContact OD2-NZ 2.75Å
722	L	93	Very high	91.4	Very high	48 Å²	48	28.9 Å²	28.9	25%	0.251	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-49.9	-38	178.3	-174.4	157.5	0	0	0	111.5	Q467 P468 V469 R705 A720 N724 N725	Q467-L722 HydrophobicContact CB-CG 4.28Å; P468-L722 WeakPolarHBondContact O-CB 3.12Å; V469-L722 HydrophobicContact CG2-CD1 4.03Å; R705-L722 HydrophobicContact CB-CB 4.46Å; R705-L722 WeakPolarHBondContact O-CB 3.36Å; R705-L722 PolarHBondContact O-N 3Å; A720-L722 PolarHBondContact O-N 3.15Å; L722-N724 VanDerWaalsContact C-N 3.29Å; L722-N724 PolarHBondContact O-N 3.2Å; L722-N725 PolarHBondContact O-N 2.63Å; L722-N725 PolarHBondContact O-OD1 3.11Å
723	G	90.4	Very high	90.9	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.4	-26.5	-176.2	0	0	0	0	0	114.1	R704 D721	R704-G723 WeakPolarHBondContact CD-O 3.29Å; R704-G723 PolarHBondContact NH1-O 3.09Å; D721-G723 PolarHBondContact O-N 2.94Å; D721-G723 VanDerWaalsContact O-N 3.11Å; D721-G723 PolarHBondContact OD1-N 3.27Å
724	N	92	Very high	91.3	Very high	68 Å²	68	29.5 Å²	29.5	36%	0.364	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-111.8	6.7	-179.7	-72.9	-30.5	0	0	0	112.6	K702 D721 L722 C726	K702-N724 PolarHBondContact O-ND2 3.25Å; K702-N724 VanDerWaalsContact O-ND2 3.08Å; D721-N724 HydrophobicContact CB-CB 4.43Å; D721-N724 CarbonylContact O-C 3.57Å; D721-N724 PolarHBondContact O-N 3.24Å; D721-N724 PolarHBondContact OD2-ND2 2.8Å; L722-N724 VanDerWaalsContact C-N 3.29Å; L722-N724 PolarHBondContact O-N 3.2Å; N724-C726 VanDerWaalsContact C-N 3.33Å; N724-C726 PolarHBondContact O-N 2.77Å
725	N	93.8	Very high	91.9	Very high	55 Å²	55	24.6 Å²	24.6	29%	0.294	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	50.6	-178.1	-67.7	-25	0	0	0	112.9	L465 Q467 D721 L722	L465-N725 WeakPolarHBondContact O-CB 3.38Å; Q467-N725 PolarHBondContact N-OD1 2.7Å; D721-N725 PolarHBondContact O-N 2.72Å; L722-N725 PolarHBondContact O-N 2.63Å; L722-N725 PolarHBondContact O-OD1 3.11Å
726	C	93.5	Very high	92.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.6	-177.8	65.7	0	0	0	0	113.2	Q449 Y450 S451 D721 N724 K728	Q449-C726 HydrophobicContact CG-CB 4.16Å; Y450-C726 CarbonylContact O-C 3.53Å; Y450-C726 WeakPolarHBondContact O-CA 3.45Å; Y450-C726 VanDerWaalsContact O-CB 3.24Å; Y450-C726 WeakPolarHBondContact O-CB 3.37Å; S451-C726 WeakPolarHBondContact OG-CB 3.41Å; D721-C726 PolarHBondContact N-O 3.46Å; D721-C726 PolarHBondContact O-N 3.35Å; N724-C726 VanDerWaalsContact C-N 3.33Å; N724-C726 PolarHBondContact O-N 2.77Å; C726-K728 WeakPolarHBondContact SG-CE 3.45Å
727	I	94.7	Very high	92.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138	164.6	-55.6	-52.6	0	0	0	108.5	W448 Q449 Y450 L465 P468 V471 I480 L718 V719 A720	W448-I727 HydrophobicContact CZ3-CB 4.41Å; W448-I727 HydrophobicContact CZ3-CG2 4.13Å; Q449-I727 CarbonylContact C-O 3.51Å; Q449-I727 VanDerWaalsContact CA-O 3.28Å; Q449-I727 WeakPolarHBondContact CA-O 3.42Å; Y450-I727 PolarHBondContact N-O 3.44Å; Y450-I727 PolarHBondContact O-N 3.28Å; L465-I727 HydrophobicContact CD1-CG1 4.03Å; P468-I727 HydrophobicContact CB-CD1 4.13Å; V471-I727 HydrophobicContact CB-CD1 4.21Å; V471-I727 HydrophobicContact CG2-CG2 4.22Å; I480-I727 HydrophobicContact CD1-CD1 4.4Å; I480-I727 HydrophobicContact CD1-CG1 3.5Å; I480-I727 VanDerWaalsContact CD1-CG1 3.5Å; I480-I727 HydrophobicContact CG1-CD1 4.26Å; I480-I727 HydrophobicContact CG1-CG1 3.81Å; I480-I727 HydrophobicContact CG2-CD1 3.92Å; I480-I727 HydrophobicContact CG2-CG1 4.16Å; L718-I727 HydrophobicContact CB-CG2 4.1Å; L718-I727 HydrophobicContact CD2-CG2 4.07Å; V719-I727 CarbonylContact O-C 3.51Å; V719-I727 WeakPolarHBondContact O-CA 3.46Å; A720-I727 HydrophobicContact CB-CD1 3.64Å
728	K	93.4	Very high	92.2	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.4	178.6	-59.6	-179	-176.5	-176.1	0	110.8	A446 W448 Q449 S701 K702 L703 L718 V719 D721 C726 Y730	A446-K728 HydrophobicContact CB-CB 4.34Å; W448-K728 WeakPolarHBondContact O-CA 3.37Å; Q449-K728 HydrophobicContact CB-CG 4.43Å; Q449-K728 HydrophobicContact CG-CG 4.06Å; S701-K728 PolarHBondContact O-NZ 3.34Å; S701-K728 VanDerWaalsContact OG-CD 3.29Å; S701-K728 WeakPolarHBondContact OG-CD 3.32Å; S701-K728 WeakPolarHBondContact OG-CE 3.41Å; S701-K728 PolarHBondContact OG-NZ 3.39Å; K702-K728 PolarHBondContact O-NZ 3.27Å; L703-K728 HydrophobicContact CD2-CD 3.97Å; L718-K728 CarbonylContact C-O 3.53Å; L718-K728 WeakPolarHBondContact CA-O 3.32Å; V719-K728 PolarHBondContact N-O 3.45Å; V719-K728 PolarHBondContact O-N 2.91Å; D721-K728 IonicContact OD2-NZ 2.75Å; C726-K728 WeakPolarHBondContact SG-CE 3.45Å; K728-Y730 HydrophobicContact CB-CD2 4.32Å; K728-Y730 HydrophobicContact CB-CE2 3.56Å; K728-Y730 HydrophobicContact CD-CE2 4.27Å; K728-Y730 WeakPolarHBondContact CD-OH 3.49Å
729	K	92.5	Very high	91.9	Very high	49 Å²	49	25.1 Å²	25.1	21%	0.213	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	173.1	-169.2	175.9	179.5	175.7	0	109.8	A446 L447 W448 C716 C717 L718	A446-K729 CarbonylContact C-O 3.39Å; A446-K729 VanDerWaalsContact CA-O 3.28Å; A446-K729 WeakPolarHBondContact CA-O 3.29Å; L447-K729 HydrophobicContact CB-CB 4.47Å; L447-K729 HydrophobicContact CB-CG 4.47Å; L447-K729 PolarHBondContact N-O 3.41Å; W448-K729 HydrophobicContact CB-CB 4.01Å; W448-K729 HydrophobicContact CE3-CB 4.27Å; W448-K729 PolarHBondContact O-N 2.9Å; C716-K729 HydrophobicContact CB-CG 4.43Å; C717-K729 WeakPolarHBondContact O-CA 3.39Å; L718-K729 HydrophobicContact CD2-CB 3.59Å; L718-K729 HydrophobicContact CD2-CD 4.4Å; L718-K729 HydrophobicContact CD2-CG 3.89Å
730	Y	91	Very high	91.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.2	174.3	-59.2	-75.2	0	0	0	111	A446 I696 S698 S701 L703 C716 C717 V719 K728	A446-Y730 HydrophobicContact CB-CD1 4.09Å; A446-Y730 HydrophobicContact CB-CE1 3.59Å; I696-Y730 HydrophobicContact CD1-CG 4.42Å; I696-Y730 HydrophobicContact CG2-CD1 3.83Å; I696-Y730 HydrophobicContact CG2-CE1 4.28Å; I696-Y730 HydrophobicContact CG2-CG 3.96Å; S698-Y730 WeakPolarHBondContact OG-CE1 3.49Å; S701-Y730 PolarHBondContact O-OH 3.41Å; L703-Y730 HydrophobicContact CD1-CE2 4.49Å; L703-Y730 HydrophobicContact CD2-CE2 4.14Å; C716-Y730 CarbonylContact C-O 3.5Å; C716-Y730 WeakPolarHBondContact CA-O 3.31Å; C717-Y730 PolarHBondContact N-O 2.75Å; C717-Y730 PolarHBondContact O-N 3.16Å; V719-Y730 HydrophobicContact CB-CD2 4.48Å; V719-Y730 HydrophobicContact CB-CE2 4.28Å; V719-Y730 HydrophobicContact CG2-CD2 3.89Å; V719-Y730 HydrophobicContact CG2-CE2 4.09Å; K728-Y730 HydrophobicContact CB-CD2 4.32Å; K728-Y730 HydrophobicContact CB-CE2 3.56Å; K728-Y730 HydrophobicContact CD-CE2 4.27Å; K728-Y730 WeakPolarHBondContact CD-OH 3.49Å
731	R	89	Confident	91.2	Very high	43 Å²	43	28.9 Å²	28.9	16%	0.162	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.7	165.7	-167.1	-177	-61.9	146.3	4.3	109	P350 L355 L356 N444 L447 R715	P350-R731 PolarHBondContact O-NH1 2.49Å; L355-R731 HydrophobicContact CD1-CB 4.27Å; L356-R731 VanDerWaalsContact O-CD 3.26Å; L356-R731 WeakPolarHBondContact O-CD 3.48Å; L356-R731 PolarHBondContact O-NH1 2.79Å; N444-R731 PolarHBondContact ND2-O 3.44Å; L447-R731 HydrophobicContact CD1-CB 4.21Å; R715-R731 CarbonylContact O-C 3.56Å; R715-R731 WeakPolarHBondContact O-CA 3.2Å
732	Y	87.9	Confident	90.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.155	C	C	.	.			trans	-113.3	173.6	167.9	50.5	-87.1	0	0	0	110.7	D665 L670 L672 I685 R715 C716 C717	D665-Y732 HydrophobicContact CB-CE2 4.43Å; D665-Y732 PolarHBondContact OD2-OH 2.66Å; L670-Y732 HydrophobicContact CD1-CD2 4.29Å; L670-Y732 HydrophobicContact CD1-CE2 4.23Å; L672-Y732 HydrophobicContact CD1-CE2 4.4Å; L672-Y732 HydrophobicContact CD2-CD1 3.65Å; L672-Y732 HydrophobicContact CD2-CE1 3.5Å; L672-Y732 VanDerWaalsContact CD2-CE1 3.5Å; L672-Y732 HydrophobicContact CD2-CG 4.26Å; I685-Y732 HydrophobicContact CG1-CG 4.33Å; R715-Y732 HydrophobicContact CB-CD2 4.06Å; R715-Y732 HydrophobicContact CB-CE2 3.87Å; R715-Y732 HydrophobicContact CG-CE2 4.12Å; R715-Y732 WeakPolarHBondContact O-CD1 3.06Å; R715-Y732 VanDerWaalsContact O-CE1 3.32Å; R715-Y732 WeakPolarHBondContact O-CE1 3.16Å; R715-Y732 PolarHBondContact O-N 3.08Å; C716-Y732 WeakPolarHBondContact O-CE1 3.43Å; C717-Y732 HydrophobicContact CB-CD1 4.24Å; C717-Y732 HydrophobicContact CB-CE1 4.01Å
733	K	79.1	Confident	90.7	Very high	93 Å²	93	29.8 Å²	29.8	40%	0.404	15%	0.146	S	C	.	.			trans	-79.3	0	-169.1	174.1	177.8	-178.6	-168.6	0	109.6	N354 L355 N694 R715	N354-K733 WeakPolarHBondContact O-CD 3.34Å; N354-K733 WeakPolarHBondContact O-CG 3.45Å; L355-K733 HydrophobicContact CD2-CB 4.08Å; N694-K733 HydrophobicContact CB-CB 3.9Å; N694-K733 WeakPolarHBondContact ND2-CB 3.03Å; N694-K733 PolarHBondContact ND2-N 2.91Å; R715-K733 PolarHBondContact NH1-O 2.95Å; R715-K733 PolarHBondContact NH1-OXT 3.01Å

Retrieved 733 of 733 residues in 477.8 ms (Link to these results)

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