A0A096NC14_PAPAN Loading...

Zinc finger and BTB domain containing 16

AlphaFold DB (A0A2K5UE73), UniProt , Accession A0A096NC14, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB16, Length 673 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	30.3	Very low	35	Very low	236 Å²	236	124.4 Å²	124.4	100%	1.163	64%	0.644	S	S	*	*				0	132.8	0	-69	164.5	71.3	0	0	106.5
2	D	22.1	Very low	35.2	Very low	141 Å²	141	128.3 Å²	128.3	75%	0.754	66%	0.658	S	S	*	*			trans	-68	131.3	179.2	-83.4	-63.4	0	0	0	111.8	T4	D2-T4 PolarHBondContact O-N 2.81Å
3	L	29.6	Very low	35.4	Very low	163 Å²	163	129.3 Å²	129.3	85%	0.853	67%	0.665	S	S	*	*	S	Bend	trans	-82.5	-1.4	176.4	-74.6	159.5	0	0	0	112.8	K5	L3-K5 VanDerWaalsContact C-N 3.28Å; L3-K5 PolarHBondContact O-N 2.82Å
4	T	31.7	Very low	35.7	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	66%	0.662	S	S	*	*			trans	-82.9	10	-171.8	51.5	0	0	0	0	115	D2	D2-T4 PolarHBondContact O-N 2.81Å
5	K	37.2	Very low	35.9	Very low	160 Å²	160	125.5 Å²	125.5	70%	0.696	67%	0.667	S	S	*	*			trans	-101.3	36.3	175.8	-80.7	-165.6	172.8	-173.5	0	114.3	L3 G7	L3-K5 VanDerWaalsContact C-N 3.28Å; L3-K5 PolarHBondContact O-N 2.82Å; K5-G7 PolarHBondContact O-N 2.81Å
6	M	36.5	Very low	36.1	Very low	153 Å²	153	126.3 Å²	126.3	75%	0.754	67%	0.665	S	S	*	*			trans	-77.6	110.5	163.3	-77.7	-176.9	165	0	0	110.2	M8	M6-M8 PolarHBondContact O-N 3.44Å
7	G	38.8	Very low	36.2	Very low	37 Å²	37	124.3 Å²	124.3	38%	0.381	66%	0.662	S	S	.	*			trans	-85	78.7	-179.4	0	0	0	0	0	112.7	K5 I9	K5-G7 PolarHBondContact O-N 2.81Å; G7-I9 WeakPolarHBondContact O-CG1 3.32Å; G7-I9 PolarHBondContact O-N 3.27Å
8	M	38.1	Very low	36.6	Very low	132 Å²	132	122.1 Å²	122.1	65%	0.65	65%	0.654	S	S	*	*			trans	-59.7	123	174.6	-65.8	-84.2	-84.9	0	0	110.9	M6	M6-M8 PolarHBondContact O-N 3.44Å
9	I	41.8	Very low	37	Very low	28 Å²	28	118.1 Å²	118.1	14%	0.144	64%	0.644	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	85.7	177.9	-49.5	-174.8	0	0	0	109.7	G7 L11 V36	G7-I9 WeakPolarHBondContact O-CG1 3.32Å; G7-I9 PolarHBondContact O-N 3.27Å; I9-L11 HydrophobicContact CG2-CD2 4.13Å; I9-L11 HydrophobicContact CG2-CG 4.11Å; I9-V36 HydrophobicContact CD1-CG1 4.29Å
10	Q	38.8	Very low	37.4	Very low	138 Å²	138	116.1 Å²	116.1	65%	0.645	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.2	123.6	171.9	-166.9	169.5	24.5	0	0	110.1	M39	Q10-M39 HydrophobicContact CB-CE 4.42Å; Q10-M39 HydrophobicContact CG-CE 3.74Å
11	L	40.5	Very low	37.7	Very low	61 Å²	61	114.1 Å²	114.1	32%	0.319	62%	0.621	S	S	.	*			trans	-119.3	122.9	177.6	-64.1	171.7	0	0	0	108.9	I9 L20	I9-L11 HydrophobicContact CG2-CD2 4.13Å; I9-L11 HydrophobicContact CG2-CG 4.11Å; L11-L20 HydrophobicContact CD1-CD1 3.92Å; L11-L20 HydrophobicContact CD1-CD2 3.76Å; L11-L20 HydrophobicContact CD1-CG 3.66Å
12	Q	36.8	Very low	38.5	Very low	172 Å²	172	107 Å²	107	80%	0.804	59%	0.594	S	S	*	*	S	Bend	trans	-105.2	129.2	168.6	-72.9	-178.5	-32.2	0	0	108.6
13	N	38.2	Very low	39.8	Very low	141 Å²	141	106 Å²	106	75%	0.754	58%	0.582	S	S	*	*			trans	58.4	95.3	-174.8	-82.3	-71	0	0	0	115.5	S15	N13-S15 PolarHBondContact O-N 3.05Å
14	P	39.3	Very low	40.7	Very low	96 Å²	96	100 Å²	100	62%	0.623	56%	0.556	S	S	*	*			trans	-80.6	47.8	-179.2	35.4	-37	0	0	0	113.6	H16	P14-H16 VanDerWaalsContact C-N 3.32Å; P14-H16 PolarHBondContact O-N 2.88Å
15	S	38.7	Very low	41.4	Very low	106 Å²	106	97.2 Å²	97.2	74%	0.741	54%	0.537	S	S	*	.			trans	-80.5	-2.8	-176.4	60.4	0	0	0	0	115.3	N13	N13-S15 PolarHBondContact O-N 3.05Å
16	H	39.7	Very low	42	Very low	137 Å²	137	95.9 Å²	95.9	63%	0.634	53%	0.533	S	S	*	.			trans	-144.9	105.7	179.1	-135.2	-84.5	0	0	0	113.4	P14 T18 G19	P14-H16 VanDerWaalsContact C-N 3.32Å; P14-H16 PolarHBondContact O-N 2.88Å; H16-T18 PolarHBondContact CE1-OG1 2.82Å; H16-T18 PolarHBondContact ND1-OG1 3.48Å; H16-T18 PolarHBondContact O-N 2.84Å; H16-T18 VanDerWaalsContact O-N 3.14Å; H16-G19 PolarHBondContact O-N 2.77Å
17	P	37.6	Very low	42.5	Very low	93 Å²	93	91.1 Å²	91.1	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-20.7	-175.4	25	-34	0	0	0	113.8	G19 L20 L21	P17-G19 VanDerWaalsContact C-N 3.25Å; P17-G19 PolarHBondContact O-N 3.24Å; P17-L20 PolarHBondContact O-N 3.25Å; P17-L21 PolarHBondContact O-N 3.26Å
18	T	42.4	Very low	42.8	Very low	85 Å²	85	95.8 Å²	95.8	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-31.6	177.6	-31.1	0	0	0	0	113.2	H16 C22	H16-T18 PolarHBondContact CE1-OG1 2.82Å; H16-T18 PolarHBondContact ND1-OG1 3.48Å; H16-T18 PolarHBondContact O-N 2.84Å; H16-T18 VanDerWaalsContact O-N 3.14Å; T18-C22 WeakPolarHBondContact O-CB 3.39Å; T18-C22 PolarHBondContact O-N 3.46Å
19	G	44.4	Very low	43.1	Very low	45 Å²	45	96.6 Å²	96.6	46%	0.464	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-43.1	-179	0	0	0	0	0	112.7	H16 P17 K23	H16-G19 PolarHBondContact O-N 2.77Å; P17-G19 VanDerWaalsContact C-N 3.25Å; P17-G19 PolarHBondContact O-N 3.24Å; G19-K23 PolarHBondContact O-N 3.25Å; G19-K23 VanDerWaalsContact O-N 3.17Å
20	L	44.7	Very low	43.3	Very low	79 Å²	79	98.6 Å²	98.6	41%	0.414	54%	0.543	S	S	.	.	H	α-helix	trans	-57.8	-53.3	173.7	-104.7	163.3	0	0	0	111.1	L11 P17 C22 K23 A24	L11-L20 HydrophobicContact CD1-CD1 3.92Å; L11-L20 HydrophobicContact CD1-CD2 3.76Å; L11-L20 HydrophobicContact CD1-CG 3.66Å; P17-L20 PolarHBondContact O-N 3.25Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.47Å; L20-K23 PolarHBondContact O-N 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.3Å; L20-A24 PolarHBondContact O-N 2.97Å
21	L	44.2	Very low	43.4	Very low	74 Å²	74	95.2 Å²	95.2	39%	0.387	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-37	-176.8	-172.1	67.1	0	0	0	112.7	P17 N25 F59	P17-L21 PolarHBondContact O-N 3.26Å; L21-N25 PolarHBondContact O-N 2.96Å; L21-N25 VanDerWaalsContact O-N 3.15Å; L21-N25 PolarHBondContact O-ND2 3.44Å; L21-F59 HydrophobicContact CD1-CE2 3.85Å; L21-F59 HydrophobicContact CD1-CZ 4.37Å; L21-F59 HydrophobicContact CD2-CE2 4.01Å; L21-F59 HydrophobicContact CD2-CZ 3.68Å
22	C	48	Very low	43.5	Very low	88 Å²	88	94.8 Å²	94.8	60%	0.595	55%	0.545	S	S	*	.	H	α-helix	trans	-65	-49	176.9	-171.7	0	0	0	0	111.4	T18 L20 N25 Q26	T18-C22 WeakPolarHBondContact O-CB 3.39Å; T18-C22 PolarHBondContact O-N 3.46Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.47Å; C22-N25 PolarHBondContact O-N 3.45Å; C22-Q26 PolarHBondContact O-N 2.95Å
23	K	48.7	Very low	43.8	Very low	118 Å²	118	91.3 Å²	91.3	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-71.1	-34.3	-177.2	-155.7	166.5	-174	177.4	0	112.6	G19 L20 Q26 M27	G19-K23 PolarHBondContact O-N 3.25Å; G19-K23 VanDerWaalsContact O-N 3.17Å; L20-K23 PolarHBondContact O-N 3.31Å; K23-Q26 PolarHBondContact O-N 3.28Å; K23-M27 VanDerWaalsContact O-CG 3.3Å; K23-M27 WeakPolarHBondContact O-CG 3.46Å; K23-M27 PolarHBondContact O-N 2.95Å
24	A	48.8	Very low	43.9	Very low	37 Å²	37	88.2 Å²	88.2	31%	0.306	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-43.5	171	0	0	0	0	0	112.2	L20 Q26 M27 R28	L20-A24 WeakPolarHBondContact O-CB 3.3Å; L20-A24 PolarHBondContact O-N 2.97Å; A24-Q26 PolarHBondContact O-N 3.42Å; A24-M27 PolarHBondContact O-N 2.99Å; A24-R28 PolarHBondContact O-N 3.18Å
25	N	45.8	Very low	43.9	Very low	62 Å²	62	88.6 Å²	88.6	33%	0.332	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-37.1	174.9	-85.8	-71	0	0	0	112.7	L21 C22 R28 L29	L21-N25 PolarHBondContact O-N 2.96Å; L21-N25 VanDerWaalsContact O-N 3.15Å; L21-N25 PolarHBondContact O-ND2 3.44Å; C22-N25 PolarHBondContact O-N 3.45Å; N25-R28 PolarHBondContact O-N 2.88Å; N25-L29 WeakPolarHBondContact O-CG 3.41Å; N25-L29 PolarHBondContact O-N 3.07Å
26	Q	49.7	Very low	44.1	Very low	132 Å²	132	84.8 Å²	84.8	62%	0.617	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-42.9	175.3	-164	176.3	30.6	0	0	111.9	C22 K23 A24 L29 A30	C22-Q26 PolarHBondContact O-N 2.95Å; K23-Q26 PolarHBondContact O-N 3.28Å; A24-Q26 PolarHBondContact O-N 3.42Å; Q26-L29 PolarHBondContact O-N 3.14Å; Q26-A30 PolarHBondContact O-N 3Å; Q26-A30 VanDerWaalsContact O-N 3.07Å
27	M	47.3	Very low	44.3	Very low	53 Å²	53	79.8 Å²	79.8	26%	0.261	47%	0.468	S	S	.	.	H	α-helix	trans	-63.2	-39.4	173.6	-68.8	-83.2	-76.6	0	0	112.3	K23 A24 A30 G31 T32	K23-M27 VanDerWaalsContact O-CG 3.3Å; K23-M27 WeakPolarHBondContact O-CG 3.46Å; K23-M27 PolarHBondContact O-N 2.95Å; A24-M27 PolarHBondContact O-N 2.99Å; M27-A30 PolarHBondContact O-N 3.24Å; M27-G31 PolarHBondContact O-N 3.36Å; M27-T32 PolarHBondContact O-N 3.18Å
28	R	44.6	Very low	44.6	Very low	135 Å²	135	77.8 Å²	77.8	51%	0.509	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175	-171.5	178	75.3	150.6	2.6	111.7	A24 N25 A30 G31 L33	A24-R28 PolarHBondContact O-N 3.18Å; N25-R28 PolarHBondContact O-N 2.88Å; R28-A30 VanDerWaalsContact C-N 3.28Å; R28-A30 PolarHBondContact O-N 3.1Å; R28-G31 PolarHBondContact O-N 3.46Å; R28-G31 VanDerWaalsContact O-N 3.12Å; R28-L33 HydrophobicContact CG-CD1 4.32Å
29	L	45.1	Very low	44.3	Very low	149 Å²	149	75.6 Å²	75.6	78%	0.78	44%	0.436	S	S	*	.	H	α-helix	trans	-68	-26.1	177.8	-70.1	169.7	0	0	0	113	N25 Q26 G31	N25-L29 WeakPolarHBondContact O-CG 3.41Å; N25-L29 PolarHBondContact O-N 3.07Å; Q26-L29 PolarHBondContact O-N 3.14Å; L29-G31 VanDerWaalsContact C-N 3.27Å
30	A	45.4	Very low	44	Very low	69 Å²	69	76.3 Å²	76.3	57%	0.57	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.6	172.4	0	0	0	0	0	114.1	Q26 M27 R28 T32	Q26-A30 PolarHBondContact O-N 3Å; Q26-A30 VanDerWaalsContact O-N 3.07Å; M27-A30 PolarHBondContact O-N 3.24Å; R28-A30 VanDerWaalsContact C-N 3.28Å; R28-A30 PolarHBondContact O-N 3.1Å; A30-T32 PolarHBondContact O-N 2.92Å
31	G	40.9	Very low	43.6	Very low	68 Å²	68	79.5 Å²	79.5	70%	0.701	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	10.1	179.5	0	0	0	0	0	115.1	M27 R28 L29	M27-G31 PolarHBondContact O-N 3.36Å; R28-G31 PolarHBondContact O-N 3.46Å; R28-G31 VanDerWaalsContact O-N 3.12Å; L29-G31 VanDerWaalsContact C-N 3.27Å
32	T	43.7	Very low	43.4	Very low	52 Å²	52	81.7 Å²	81.7	32%	0.319	47%	0.47	S	S	.	.			trans	-109.6	72.4	-174.7	53.8	0	0	0	0	111.5	M27 A30	M27-T32 PolarHBondContact O-N 3.18Å; A30-T32 PolarHBondContact O-N 2.92Å
33	L	42	Very low	42.6	Very low	98 Å²	98	83.9 Å²	83.9	51%	0.513	47%	0.472	S	S	.	.			trans	-96.7	99.7	167.3	-78.1	167.7	0	0	0	109.8	R28	R28-L33 HydrophobicContact CG-CD1 4.32Å
34	C	39.8	Very low	42	Very low	77 Å²	77	83.6 Å²	83.6	52%	0.52	47%	0.472	S	S	.	.			trans	-119.8	166.3	163.2	-61.3	0	0	0	0	107.7	V36	C34-V36 PolarHBondContact O-N 3.19Å
35	D	40.4	Very low	41.4	Very low	104 Å²	104	87 Å²	87	56%	0.556	48%	0.481	S	S	*	.			trans	-58.8	133.3	-161.5	-51.1	-74	0	0	0	113.2
36	V	43.5	Very low	41	Very low	25 Å²	25	90.8 Å²	90.8	15%	0.152	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.3	-168.8	-177.9	0	0	0	0	109.7	I9 C34 I38 A47 L52	I9-V36 HydrophobicContact CD1-CG1 4.29Å; C34-V36 PolarHBondContact O-N 3.19Å; V36-I38 HydrophobicContact CG1-CG1 4.01Å; V36-A47 HydrophobicContact CB-CB 4.45Å; V36-A47 WeakPolarHBondContact O-CB 3.41Å; V36-A47 PolarHBondContact O-N 2.8Å; V36-L52 HydrophobicContact CG2-CD1 4.12Å
37	V	42.4	Very low	40.5	Very low	32 Å²	32	85.6 Å²	85.6	19%	0.194	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.6	166.8	-171.9	0	0	0	0	108.6	E44	V37-E44 HydrophobicContact CG1-CB 4.05Å; V37-E44 HydrophobicContact CG1-CG 4.25Å
38	I	44.1	Very low	40.2	Very low	51 Å²	51	89.6 Å²	89.6	26%	0.262	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.5	175	-54.9	179.6	0	0	0	106.9	V36 V40 F45 A47	V36-I38 HydrophobicContact CG1-CG1 4.01Å; I38-V40 HydrophobicContact CG2-CG2 4.25Å; I38-F45 PolarHBondContact N-O 3.08Å; I38-F45 PolarHBondContact O-N 3.37Å; I38-A47 HydrophobicContact CD1-CB 4.02Å; I38-A47 HydrophobicContact CG1-CB 4.35Å
39	M	37.1	Very low	39.7	Very low	40 Å²	40	91.8 Å²	91.8	20%	0.197	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.9	171.1	-61.2	-151.5	-59.9	0	0	110.4	Q10 Q43 E44	Q10-M39 HydrophobicContact CB-CE 4.42Å; Q10-M39 HydrophobicContact CG-CE 3.74Å; M39-Q43 WeakPolarHBondContact CA-O 3.48Å; M39-E44 HydrophobicContact CG-CG 4.03Å; M39-E44 HydrophobicContact SD-CG 3.86Å
40	V	38.2	Very low	39	Very low	60 Å²	60	88 Å²	88	36%	0.364	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.7	170.7	-175.3	0	0	0	0	107.1	I38 S42 Q43 F45	I38-V40 HydrophobicContact CG2-CG2 4.25Å; V40-S42 PolarHBondContact O-N 3.13Å; V40-Q43 PolarHBondContact N-O 2.98Å; V40-Q43 VanDerWaalsContact N-O 3.07Å; V40-Q43 PolarHBondContact O-N 3.49Å; V40-F45 HydrophobicContact CB-CD2 4.44Å; V40-F45 HydrophobicContact CB-CE2 4.16Å; V40-F45 HydrophobicContact CG2-CD2 4.44Å
41	D	36.5	Very low	38.6	Very low	146 Å²	146	89.2 Å²	89.2	78%	0.781	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	36.9	177.8	-57.5	-25.9	0	0	0	115.8
42	S	39.8	Very low	38.6	Very low	119 Å²	119	89.3 Å²	89.3	83%	0.832	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	12.3	-178.7	-34	0	0	0	0	116	V40	V40-S42 PolarHBondContact O-N 3.13Å
43	Q	30.3	Very low	38.2	Very low	135 Å²	135	89.5 Å²	89.5	63%	0.631	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	173.2	-157.9	160.3	16.6	0	0	110.3	M39 V40 F45	M39-Q43 WeakPolarHBondContact CA-O 3.48Å; V40-Q43 PolarHBondContact N-O 2.98Å; V40-Q43 VanDerWaalsContact N-O 3.07Å; V40-Q43 PolarHBondContact O-N 3.49Å; Q43-F45 HydrophobicContact CB-CE2 4.06Å; Q43-F45 HydrophobicContact CG-CE2 4.36Å; Q43-F45 HydrophobicContact CG-CZ 4.44Å; Q43-F45 WeakPolarHBondContact O-CD2 3.38Å
44	E	37.5	Very low	37.8	Very low	111 Å²	111	88.2 Å²	88.2	52%	0.519	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.5	-175.6	-66.7	-168.9	-179.8	0	0	112.1	V37 M39 H46	V37-E44 HydrophobicContact CG1-CB 4.05Å; V37-E44 HydrophobicContact CG1-CG 4.25Å; M39-E44 HydrophobicContact CG-CG 4.03Å; M39-E44 HydrophobicContact SD-CG 3.86Å; E44-H46 IonicContact OE2-CE1 3.95Å
45	F	35.1	Very low	38	Very low	110 Å²	110	87.6 Å²	87.6	48%	0.482	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.1	174.5	-62.6	-91.2	0	0	0	109.8	I38 V40 Q43 A47	I38-F45 PolarHBondContact N-O 3.08Å; I38-F45 PolarHBondContact O-N 3.37Å; V40-F45 HydrophobicContact CB-CD2 4.44Å; V40-F45 HydrophobicContact CB-CE2 4.16Å; V40-F45 HydrophobicContact CG2-CD2 4.44Å; Q43-F45 HydrophobicContact CB-CE2 4.06Å; Q43-F45 HydrophobicContact CG-CE2 4.36Å; Q43-F45 HydrophobicContact CG-CZ 4.44Å; Q43-F45 WeakPolarHBondContact O-CD2 3.38Å; F45-A47 PolarHBondContact O-N 3.33Å
46	H	37.8	Very low	38	Very low	140 Å²	140	84.7 Å²	84.7	65%	0.648	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	106.6	178.4	-61.7	-15.7	0	0	0	110.4	E44 H48	E44-H46 IonicContact OE2-CE1 3.95Å; H46-H48 PolarHBondContact O-N 3.46Å; H46-H48 VanDerWaalsContact O-N 3.15Å
47	A	39.9	Very low	37.8	Very low	24 Å²	24	88.5 Å²	88.5	20%	0.198	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	96.5	179.9	0	0	0	0	0	110.8	V36 I38 F45	V36-A47 HydrophobicContact CB-CB 4.45Å; V36-A47 WeakPolarHBondContact O-CB 3.41Å; V36-A47 PolarHBondContact O-N 2.8Å; I38-A47 HydrophobicContact CD1-CB 4.02Å; I38-A47 HydrophobicContact CG1-CB 4.35Å; F45-A47 PolarHBondContact O-N 3.33Å
48	H	39.8	Very low	37.4	Very low	137 Å²	137	91.1 Å²	91.1	63%	0.634	48%	0.482	S	S	*	.			trans	-66.5	154.9	-179.8	-141.7	-116.5	0	0	0	112.2	H46 T50 V51	H46-H48 PolarHBondContact O-N 3.46Å; H46-H48 VanDerWaalsContact O-N 3.15Å; H48-T50 PolarHBondContact O-N 2.67Å; H48-V51 PolarHBondContact O-N 2.64Å; H48-V51 VanDerWaalsContact O-N 3.15Å
49	R	34.6	Very low	36.9	Very low	180 Å²	180	93.2 Å²	93.2	68%	0.679	49%	0.489	S	S	*	.	H	α-helix	trans	-46.7	-34.1	-172.6	-86.8	179.7	154.4	104.9	-5.5	115	V51 L52 A53	R49-V51 PolarHBondContact O-N 2.83Å; R49-L52 PolarHBondContact O-N 3.4Å; R49-A53 PolarHBondContact O-N 2.98Å; R49-A53 VanDerWaalsContact O-N 3.09Å
50	T	31.1	Very low	36.8	Very low	70 Å²	70	97 Å²	97	43%	0.429	51%	0.506	S	S	.	.	H	α-helix	trans	-58.9	-42.7	-177	-32.5	0	0	0	0	112.9	H48 L52 A53 C54	H48-T50 PolarHBondContact O-N 2.67Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.4Å; T50-A53 WeakPolarHBondContact O-CA 3.46Å; T50-A53 WeakPolarHBondContact O-CB 3.32Å; T50-A53 PolarHBondContact O-N 3.48Å; T50-C54 PolarHBondContact O-N 3.34Å; T50-C54 PolarHBondContact O-SG 3.31Å
51	V	36.3	Very low	36.5	Very low	94 Å²	94	99.1 Å²	99.1	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-67.1	-36.8	-176.1	-175.6	0	0	0	0	111.8	H48 R49 A53 T55	H48-V51 PolarHBondContact O-N 2.64Å; H48-V51 VanDerWaalsContact O-N 3.15Å; R49-V51 PolarHBondContact O-N 2.83Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3Å
52	L	40.2	Very low	36.2	Very low	71 Å²	71	96.8 Å²	96.8	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-72.5	-26.5	172.8	-79.2	159.6	0	0	0	112.4	V36 R49 T50 T55 S56	V36-L52 HydrophobicContact CG2-CD1 4.12Å; R49-L52 PolarHBondContact O-N 3.4Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.4Å; L52-T55 WeakPolarHBondContact CA-OG1 3.2Å; L52-T55 PolarHBondContact O-OG1 2.99Å; L52-S56 WeakPolarHBondContact O-CB 3.43Å; L52-S56 PolarHBondContact O-N 3.18Å
53	A	35.3	Very low	35.6	Very low	56 Å²	56	99.3 Å²	99.3	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-73	-46.4	172.6	0	0	0	0	0	111.8	R49 T50 V51 T55 S56 K57	R49-A53 PolarHBondContact O-N 2.98Å; R49-A53 VanDerWaalsContact O-N 3.09Å; T50-A53 WeakPolarHBondContact O-CA 3.46Å; T50-A53 WeakPolarHBondContact O-CB 3.32Å; T50-A53 PolarHBondContact O-N 3.48Å; V51-A53 VanDerWaalsContact C-N 3.34Å; A53-T55 PolarHBondContact O-N 2.76Å; A53-S56 WeakPolarHBondContact O-CB 3.11Å; A53-S56 PolarHBondContact O-N 3.16Å; A53-S56 VanDerWaalsContact O-N 3.13Å; A53-K57 WeakPolarHBondContact O-CB 3.31Å; A53-K57 PolarHBondContact O-N 3.1Å
54	C	35	Very low	35.5	Very low	70 Å²	70	100.3 Å²	100.3	47%	0.473	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-44.5	179.8	-61.2	0	0	0	0	111.9	T50 S56 K57 M58	T50-C54 PolarHBondContact O-N 3.34Å; T50-C54 PolarHBondContact O-SG 3.31Å; C54-S56 VanDerWaalsContact C-N 3.34Å; C54-S56 PolarHBondContact O-N 2.67Å; C54-K57 PolarHBondContact O-N 2.81Å; C54-M58 WeakPolarHBondContact O-CB 3.37Å; C54-M58 PolarHBondContact O-N 3.41Å
55	T	43.6	Very low	35.2	Very low	64 Å²	64	103.1 Å²	103.1	39%	0.393	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-39.5	173.7	46.7	0	0	0	0	112.3	V51 L52 A53 F59	V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3Å; L52-T55 WeakPolarHBondContact CA-OG1 3.2Å; L52-T55 PolarHBondContact O-OG1 2.99Å; A53-T55 PolarHBondContact O-N 2.76Å; T55-F59 WeakPolarHBondContact O-CD2 3.29Å; T55-F59 PolarHBondContact O-N 3.25Å; T55-F59 VanDerWaalsContact O-N 3.14Å
56	S	40.1	Very low	35.1	Very low	43 Å²	43	105 Å²	105	30%	0.301	52%	0.523	S	S	.	.	H	α-helix	trans	-65	-44.2	174.2	-165.9	0	0	0	0	112.7	L52 A53 C54 M58 F59 E60	L52-S56 WeakPolarHBondContact O-CB 3.43Å; L52-S56 PolarHBondContact O-N 3.18Å; A53-S56 WeakPolarHBondContact O-CB 3.11Å; A53-S56 PolarHBondContact O-N 3.16Å; A53-S56 VanDerWaalsContact O-N 3.13Å; C54-S56 VanDerWaalsContact C-N 3.34Å; C54-S56 PolarHBondContact O-N 2.67Å; S56-M58 VanDerWaalsContact C-N 3.33Å; S56-M58 PolarHBondContact O-N 2.89Å; S56-F59 PolarHBondContact O-N 3.09Å; S56-E60 PolarHBondContact O-N 2.79Å
57	K	38.8	Very low	34.8	Very low	106 Å²	106	103 Å²	103	46%	0.461	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-41.1	178.6	-161.9	-177.8	-176.9	-170.2	0	110.8	A53 C54 E60 I61 E110	A53-K57 WeakPolarHBondContact O-CB 3.31Å; A53-K57 PolarHBondContact O-N 3.1Å; C54-K57 PolarHBondContact O-N 2.81Å; K57-E60 PolarHBondContact O-N 2.7Å; K57-I61 VanDerWaalsContact O-CG1 3.32Å; K57-I61 WeakPolarHBondContact O-CG1 3.47Å; K57-I61 PolarHBondContact O-N 3.4Å; K57-E110 IonicContact NZ-OE1 3Å; K57-E110 IonicContact NZ-OE2 3.7Å; K57-E110 PolarHBondContact NZ-OE2 3.2Å
58	M	34	Very low	34.2	Very low	87 Å²	87	110 Å²	110	43%	0.429	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-38.3	176	-161.5	169.6	75.8	0	0	112.5	C54 S56 L62	C54-M58 WeakPolarHBondContact O-CB 3.37Å; C54-M58 PolarHBondContact O-N 3.41Å; S56-M58 VanDerWaalsContact C-N 3.33Å; S56-M58 PolarHBondContact O-N 2.89Å; M58-L62 WeakPolarHBondContact O-CG 3.42Å; M58-L62 PolarHBondContact O-N 3.46Å; M58-L62 VanDerWaalsContact O-N 3.12Å
59	F	34.1	Very low	33.6	Very low	95 Å²	95	111.3 Å²	111.3	42%	0.417	56%	0.56	S	S	.	*	H	α-helix	trans	-70.5	-34.4	172.8	-88.6	-70.5	0	0	0	113.6	L21 T55 S56 L62 F63	L21-F59 HydrophobicContact CD1-CE2 3.85Å; L21-F59 HydrophobicContact CD1-CZ 4.37Å; L21-F59 HydrophobicContact CD2-CE2 4.01Å; L21-F59 HydrophobicContact CD2-CZ 3.68Å; T55-F59 WeakPolarHBondContact O-CD2 3.29Å; T55-F59 PolarHBondContact O-N 3.25Å; T55-F59 VanDerWaalsContact O-N 3.14Å; S56-F59 PolarHBondContact O-N 3.09Å; F59-L62 HydrophobicContact CD1-CD1 4.45Å; F59-L62 PolarHBondContact O-N 2.67Å; F59-F63 PolarHBondContact O-N 3.32Å
60	E	34.1	Very low	33.2	Very low	120 Å²	120	113.4 Å²	113.4	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-66.4	-40.5	172.7	-75.1	-168.2	156.8	0	0	112.1	S56 K57 L62 F63 H64	S56-E60 PolarHBondContact O-N 2.79Å; K57-E60 PolarHBondContact O-N 2.7Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.17Å; E60-F63 PolarHBondContact O-N 3.33Å; E60-H64 WeakPolarHBondContact O-CB 3.33Å; E60-H64 PolarHBondContact O-N 2.84Å
61	I	32.3	Very low	32.9	Very low	104 Å²	104	116.1 Å²	116.1	53%	0.533	59%	0.586	S	S	.	*	H	α-helix	trans	-60.4	-42.9	174.1	-69.5	163.9	0	0	0	110.9	K57 H64 R65	K57-I61 VanDerWaalsContact O-CG1 3.32Å; K57-I61 WeakPolarHBondContact O-CG1 3.47Å; K57-I61 PolarHBondContact O-N 3.4Å; I61-H64 PolarHBondContact O-N 3.47Å; I61-R65 WeakPolarHBondContact O-CB 3.32Å; I61-R65 PolarHBondContact O-N 3.22Å
62	L	29.6	Very low	32.3	Very low	97 Å²	97	118.4 Å²	118.4	51%	0.508	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-39	175.9	-73.8	168	0	0	0	112.7	M58 F59 E60	M58-L62 WeakPolarHBondContact O-CG 3.42Å; M58-L62 PolarHBondContact O-N 3.46Å; M58-L62 VanDerWaalsContact O-N 3.12Å; F59-L62 HydrophobicContact CD1-CD1 4.45Å; F59-L62 PolarHBondContact O-N 2.67Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.17Å
63	F	27.1	Very low	31.6	Very low	171 Å²	171	122 Å²	122	75%	0.75	61%	0.613	S	S	*	*	H	α-helix	trans	-69.4	-41.6	174.5	-102.2	-91.7	0	0	0	112.6	F59 E60 R65 N66	F59-F63 PolarHBondContact O-N 3.32Å; E60-F63 PolarHBondContact O-N 3.33Å; F63-R65 VanDerWaalsContact C-N 3.26Å; F63-R65 PolarHBondContact O-N 2.76Å; F63-N66 PolarHBondContact O-N 2.84Å
64	H	29.4	Very low	31.4	Very low	157 Å²	157	128 Å²	128	73%	0.727	63%	0.63	S	S	*	*	H	α-helix	trans	-67.3	-23.1	178.1	-95.2	-72.5	0	0	0	113.8	E60 I61 N66	E60-H64 WeakPolarHBondContact O-CB 3.33Å; E60-H64 PolarHBondContact O-N 2.84Å; I61-H64 PolarHBondContact O-N 3.47Å; H64-N66 VanDerWaalsContact C-N 3.29Å; H64-N66 PolarHBondContact O-N 3.09Å
65	R	30.1	Very low	31.7	Very low	169 Å²	169	130.1 Å²	130.1	64%	0.638	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-1.7	179.9	-164.5	163.1	177.1	160.4	-2.3	114.1	I61 F63 S67	I61-R65 WeakPolarHBondContact O-CB 3.32Å; I61-R65 PolarHBondContact O-N 3.22Å; F63-R65 VanDerWaalsContact C-N 3.26Å; F63-R65 PolarHBondContact O-N 2.76Å; R65-S67 VanDerWaalsContact C-N 3.25Å; R65-S67 PolarHBondContact O-N 2.91Å; R65-S67 VanDerWaalsContact O-N 3.15Å
66	N	34.7	Very low	31.6	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	63%	0.632	S	S	*	*			trans	-87.4	32.2	-175.8	-145.3	1.6	0	0	0	114.6	F63 H64	F63-N66 PolarHBondContact O-N 2.84Å; H64-N66 VanDerWaalsContact C-N 3.29Å; H64-N66 PolarHBondContact O-N 3.09Å
67	S	29.8	Very low	31.7	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	65%	0.652	S	S	*	*	S	Bend	trans	-121.7	68.6	176	70.2	0	0	0	0	112.8	R65	R65-S67 VanDerWaalsContact C-N 3.25Å; R65-S67 PolarHBondContact O-N 2.91Å; R65-S67 VanDerWaalsContact O-N 3.15Å
68	Q	29.3	Very low	31.8	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.794	66%	0.664	S	S	*	*	S	Bend	trans	65.8	108	156.1	-67.9	-176.9	-25	0	0	119.2
69	H	26.9	Very low	32.1	Very low	164 Å²	164	133.4 Å²	133.4	76%	0.759	66%	0.658	S	S	*	*			trans	62.4	92.5	155.7	-54.4	-69.5	0	0	0	118.8
70	Y	25.1	Very low	32.5	Very low	225 Å²	225	132.4 Å²	132.4	88%	0.882	65%	0.653	S	S	*	*				-152.5	148.5	96.3	-93.6	-73.6	0	0	0	109.9
71	T	25.4	Very low	32.9	Very low	126 Å²	126	132 Å²	132	77%	0.773	65%	0.652	S	S	*	*			trans	-81.9	127.1	-176.1	43.8	0	0	0	0	112.1
72	L	24.1	Very low	33.4	Very low	143 Å²	143	132.8 Å²	132.8	75%	0.749	65%	0.653	S	S	*	*			trans	-135.3	120.4	155.7	-100.7	165.6	0	0	0	105.2
73	D	24.9	Very low	34	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	65%	0.648	S	S	*	*			trans	-70	152.5	-167.6	-76.3	-66.2	0	0	0	113.4	L75	D73-L75 PolarHBondContact O-N 2.99Å
74	F	32.1	Very low	34.9	Very low	184 Å²	184	127.2 Å²	127.2	81%	0.807	63%	0.63	S	S	*	*			trans	-72.4	122.2	-168.2	-61.6	-99.4	0	0	0	111.8	S76	F74-S76 PolarHBondContact O-N 2.93Å; F74-S76 VanDerWaalsContact O-N 3.13Å
75	L	39.8	Very low	35.6	Very low	114 Å²	114	125.2 Å²	125.2	60%	0.597	62%	0.621	S	S	*	*			trans	-60.6	113.5	148.5	-70.4	176.3	0	0	0	107.1	D73 T79 I83	D73-L75 PolarHBondContact O-N 2.99Å; L75-T79 HydrophobicContact CD2-CG2 3.72Å; L75-I83 HydrophobicContact CD1-CD1 4.08Å; L75-I83 HydrophobicContact CD2-CD1 4.15Å
76	S	43	Very low	36.2	Very low	44 Å²	44	125.1 Å²	125.1	31%	0.308	62%	0.622	S	S	.	*			trans	-66.2	157.9	179.7	81.4	0	0	0	0	110.3	F74 K78 T79 F80	F74-S76 PolarHBondContact O-N 2.93Å; F74-S76 VanDerWaalsContact O-N 3.13Å; S76-K78 PolarHBondContact O-N 2.89Å; S76-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 PolarHBondContact OG-N 3.34Å; S76-T79 PolarHBondContact N-OG1 3.42Å; S76-T79 CarbonylContact O-C 3.52Å; S76-T79 WeakPolarHBondContact O-CA 3.46Å; S76-T79 WeakPolarHBondContact O-CB 3.34Å; S76-T79 PolarHBondContact O-N 3.03Å; S76-T79 PolarHBondContact OG-N 3.48Å; S76-T79 VanDerWaalsContact OG-N 3.07Å; S76-T79 PolarHBondContact OG-OG1 3.38Å; S76-F80 PolarHBondContact O-N 3.2Å
77	P	41.8	Very low	36.5	Very low	113 Å²	113	118.3 Å²	118.3	73%	0.734	59%	0.587	S	S	*	*	H	α-helix	trans	-56	-30.1	174.4	-27.7	36.2	0	0	0	113.5	Q81	P77-Q81 VanDerWaalsContact O-CB 3.29Å; P77-Q81 WeakPolarHBondContact O-CB 3.47Å; P77-Q81 PolarHBondContact O-N 2.79Å
78	K	39.5	Very low	37.1	Very low	161 Å²	161	121.2 Å²	121.2	70%	0.7	58%	0.584	S	S	*	*	H	α-helix	trans	-68.9	-41.4	171	-70.5	-172.1	174.6	-173.1	0	112	S76 Q81 Q82	S76-K78 PolarHBondContact O-N 2.89Å; S76-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 PolarHBondContact OG-N 3.34Å; K78-Q81 PolarHBondContact O-N 2.86Å; K78-Q82 WeakPolarHBondContact O-CB 3.41Å; K78-Q82 VanDerWaalsContact O-CG 3.23Å; K78-Q82 WeakPolarHBondContact O-CG 3.22Å; K78-Q82 PolarHBondContact O-N 2.87Å; K78-Q82 PolarHBondContact O-OE1 2.84Å
79	T	40.2	Very low	37.9	Very low	50 Å²	50	116.5 Å²	116.5	31%	0.307	57%	0.566	S	S	.	*	H	α-helix	trans	-65.9	-41.3	177.6	-41	0	0	0	0	111.1	L75 S76 Q82 I83	L75-T79 HydrophobicContact CD2-CG2 3.72Å; S76-T79 PolarHBondContact N-OG1 3.42Å; S76-T79 CarbonylContact O-C 3.52Å; S76-T79 WeakPolarHBondContact O-CA 3.46Å; S76-T79 WeakPolarHBondContact O-CB 3.34Å; S76-T79 PolarHBondContact O-N 3.03Å; S76-T79 PolarHBondContact OG-N 3.48Å; S76-T79 VanDerWaalsContact OG-N 3.07Å; S76-T79 PolarHBondContact OG-OG1 3.38Å; T79-Q82 PolarHBondContact O-N 3.13Å; T79-I83 HydrophobicContact CG2-CD1 4.31Å; T79-I83 WeakPolarHBondContact O-CD1 3.38Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.42Å; T79-I83 PolarHBondContact O-N 2.89Å
80	F	44.3	Very low	38.7	Very low	74 Å²	74	109.5 Å²	109.5	33%	0.325	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-42.3	174.2	-176.7	-107.2	0	0	0	112.1	S76 I83 L84	S76-F80 PolarHBondContact O-N 3.2Å; F80-I83 PolarHBondContact O-N 3.03Å; F80-L84 HydrophobicContact CD1-CD1 4Å; F80-L84 HydrophobicContact CE1-CD1 3.53Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CZ-CD1 3.92Å; F80-L84 HydrophobicContact CZ-CG 4.4Å; F80-L84 PolarHBondContact O-N 3.37Å
81	Q	42.7	Very low	39.7	Very low	113 Å²	113	99.7 Å²	99.7	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-41.3	173	-174.5	170.9	-12.9	0	0	111.7	P77 K78 I83 L84 E85	P77-Q81 VanDerWaalsContact O-CB 3.29Å; P77-Q81 WeakPolarHBondContact O-CB 3.47Å; P77-Q81 PolarHBondContact O-N 2.79Å; K78-Q81 PolarHBondContact O-N 2.86Å; Q81-I83 VanDerWaalsContact C-N 3.33Å; Q81-I83 PolarHBondContact O-N 3.02Å; Q81-L84 PolarHBondContact O-N 2.84Å; Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 3.22Å
82	Q	42.6	Very low	40.6	Very low	119 Å²	119	99.3 Å²	99.3	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-30.9	174	-76	175.6	-57.9	0	0	113	K78 T79 Y86	K78-Q82 WeakPolarHBondContact O-CB 3.41Å; K78-Q82 VanDerWaalsContact O-CG 3.23Å; K78-Q82 WeakPolarHBondContact O-CG 3.22Å; K78-Q82 PolarHBondContact O-N 2.87Å; K78-Q82 PolarHBondContact O-OE1 2.84Å; T79-Q82 PolarHBondContact O-N 3.13Å; Q82-Y86 WeakPolarHBondContact O-CA 3.45Å; Q82-Y86 WeakPolarHBondContact O-CB 3.27Å; Q82-Y86 PolarHBondContact O-N 3.27Å
83	I	42.1	Very low	41.9	Very low	77 Å²	77	101 Å²	101	40%	0.395	50%	0.497	S	S	.	.	H	α-helix	trans	-70.4	-42.1	173.6	-72.9	161.2	0	0	0	110.5	L75 T79 F80 Q81 A87	L75-I83 HydrophobicContact CD1-CD1 4.08Å; L75-I83 HydrophobicContact CD2-CD1 4.15Å; T79-I83 HydrophobicContact CG2-CD1 4.31Å; T79-I83 WeakPolarHBondContact O-CD1 3.38Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.42Å; T79-I83 PolarHBondContact O-N 2.89Å; F80-I83 PolarHBondContact O-N 3.03Å; Q81-I83 VanDerWaalsContact C-N 3.33Å; Q81-I83 PolarHBondContact O-N 3.02Å; I83-A87 VanDerWaalsContact O-CB 3.22Å; I83-A87 WeakPolarHBondContact O-CB 3.36Å; I83-A87 PolarHBondContact O-N 3.22Å
84	L	44.4	Very low	42.8	Very low	74 Å²	74	95.4 Å²	95.4	39%	0.387	47%	0.472	S	S	.	.	H	α-helix	trans	-67.1	-39.8	174.3	-72.6	170.7	0	0	0	112.5	F80 Q81 Y88	F80-L84 HydrophobicContact CD1-CD1 4Å; F80-L84 HydrophobicContact CE1-CD1 3.53Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CZ-CD1 3.92Å; F80-L84 HydrophobicContact CZ-CG 4.4Å; F80-L84 PolarHBondContact O-N 3.37Å; Q81-L84 PolarHBondContact O-N 2.84Å; L84-Y88 VanDerWaalsContact O-CB 3.31Å; L84-Y88 WeakPolarHBondContact O-CB 3.01Å; L84-Y88 PolarHBondContact O-N 2.78Å
85	E	45.2	Very low	43.7	Very low	116 Å²	116	94.3 Å²	94.3	54%	0.542	47%	0.466	S	S	.	.	H	α-helix	trans	-69.8	-41	177.5	-167.2	164.9	-125.6	0	0	110.8	Q81 Y88 T89	Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 3.22Å; E85-Y88 PolarHBondContact O-N 3.42Å; E85-T89 WeakPolarHBondContact O-CG2 3.29Å; E85-T89 PolarHBondContact O-N 3.31Å; E85-T89 PolarHBondContact O-OG1 3.13Å
86	Y	42	Very low	44.1	Very low	166 Å²	166	90.7 Å²	90.7	65%	0.651	45%	0.453	S	S	*	.	H	α-helix	trans	-61.4	-49.9	170.8	178.1	-111.9	0	0	0	111.4	Q82 Y88 T89 A90	Q82-Y86 WeakPolarHBondContact O-CA 3.45Å; Q82-Y86 WeakPolarHBondContact O-CB 3.27Å; Q82-Y86 PolarHBondContact O-N 3.27Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.88Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.43Å; Y86-T89 CarbonylContact O-C 3.59Å; Y86-T89 PolarHBondContact O-N 3.16Å; Y86-T89 VanDerWaalsContact O-N 3.13Å; Y86-T89 PolarHBondContact O-OG1 2.8Å; Y86-A90 WeakPolarHBondContact O-CB 3.49Å; Y86-A90 PolarHBondContact O-N 3.36Å
87	A	40.8	Very low	44.6	Very low	7 Å²	7	97 Å²	97	6%	0.058	48%	0.478	C	S	.	.	H	α-helix	trans	-54.8	-46	175.6	0	0	0	0	0	111.7	I83 A90 T91 L102	I83-A87 VanDerWaalsContact O-CB 3.22Å; I83-A87 WeakPolarHBondContact O-CB 3.36Å; I83-A87 PolarHBondContact O-N 3.22Å; A87-A90 PolarHBondContact O-N 3.17Å; A87-T91 PolarHBondContact O-N 3.4Å; A87-T91 PolarHBondContact O-OG1 3.06Å; A87-L102 HydrophobicContact CB-CD1 4.5Å; A87-L102 HydrophobicContact CB-CD2 3.86Å
88	Y	42.8	Very low	44.8	Very low	160 Å²	160	96.4 Å²	96.4	63%	0.627	47%	0.468	S	S	*	.	H	α-helix	trans	-64.8	-38.1	177.5	-170.7	-102.8	0	0	0	112.8	L84 E85 Y86 T91 L92	L84-Y88 VanDerWaalsContact O-CB 3.31Å; L84-Y88 WeakPolarHBondContact O-CB 3.01Å; L84-Y88 PolarHBondContact O-N 2.78Å; E85-Y88 PolarHBondContact O-N 3.42Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.88Å; Y88-T91 VanDerWaalsContact C-OG1 3.29Å; Y88-T91 VanDerWaalsContact CA-OG1 3.29Å; Y88-T91 WeakPolarHBondContact CA-OG1 3.32Å; Y88-T91 PolarHBondContact O-OG1 3.43Å; Y88-L92 HydrophobicContact CD1-CD1 4.1Å; Y88-L92 HydrophobicContact CE1-CD1 3.84Å; Y88-L92 WeakPolarHBondContact O-CD1 3.47Å; Y88-L92 WeakPolarHBondContact O-CG 3.42Å; Y88-L92 PolarHBondContact O-N 3.28Å
89	T	47	Very low	45.4	Very low	71 Å²	71	88.9 Å²	88.9	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-72.9	-31.6	172.7	56.7	0	0	0	0	113.5	E85 Y86 L92 Q93	E85-T89 WeakPolarHBondContact O-CG2 3.29Å; E85-T89 PolarHBondContact O-N 3.31Å; E85-T89 PolarHBondContact O-OG1 3.13Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.43Å; Y86-T89 CarbonylContact O-C 3.59Å; Y86-T89 PolarHBondContact O-N 3.16Å; Y86-T89 VanDerWaalsContact O-N 3.13Å; Y86-T89 PolarHBondContact O-OG1 2.8Å; T89-L92 PolarHBondContact O-N 2.72Å; T89-Q93 PolarHBondContact O-N 2.86Å
90	A	43	Very low	45.9	Very low	18 Å²	18	91.5 Å²	91.5	15%	0.149	45%	0.448	C	S	.	.	H	α-helix	trans	-67.4	-47.1	175	0	0	0	0	0	110	Y86 A87 L92 Q93 A94 L102	Y86-A90 WeakPolarHBondContact O-CB 3.49Å; Y86-A90 PolarHBondContact O-N 3.36Å; A87-A90 PolarHBondContact O-N 3.17Å; A90-L92 PolarHBondContact O-N 3.15Å; A90-Q93 PolarHBondContact O-N 3.29Å; A90-A94 WeakPolarHBondContact O-CA 3.13Å; A90-A94 WeakPolarHBondContact O-CB 3.36Å; A90-A94 PolarHBondContact O-N 2.98Å; A90-L102 HydrophobicContact CB-CD1 4.01Å
91	T	45.2	Very low	46	Very low	19 Å²	19	94.2 Å²	94.2	12%	0.117	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.8	171.9	45.3	0	0	0	0	114.3	A87 Y88 L99 C118 I121	A87-T91 PolarHBondContact O-N 3.4Å; A87-T91 PolarHBondContact O-OG1 3.06Å; Y88-T91 VanDerWaalsContact C-OG1 3.29Å; Y88-T91 VanDerWaalsContact CA-OG1 3.29Å; Y88-T91 WeakPolarHBondContact CA-OG1 3.32Å; Y88-T91 PolarHBondContact O-OG1 3.43Å; T91-L99 HydrophobicContact CG2-CD1 4.12Å; T91-C118 VanDerWaalsContact CG2-SG 3.54Å; T91-I121 HydrophobicContact CG2-CD1 3.97Å
92	L	44.7	Very low	46.2	Very low	118 Å²	118	90.1 Å²	90.1	62%	0.618	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.8	176.7	-71.1	168.2	0	0	0	114.3	Y88 T89 A90	Y88-L92 HydrophobicContact CD1-CD1 4.1Å; Y88-L92 HydrophobicContact CE1-CD1 3.84Å; Y88-L92 WeakPolarHBondContact O-CD1 3.47Å; Y88-L92 WeakPolarHBondContact O-CG 3.42Å; Y88-L92 PolarHBondContact O-N 3.28Å; T89-L92 PolarHBondContact O-N 2.72Å; A90-L92 PolarHBondContact O-N 3.15Å
93	Q	51.1	Low	46.6	Very low	178 Å²	178	86.1 Å²	86.1	83%	0.832	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.8	-6.1	-177.1	-65	-167.4	-12.4	0	0	115.7	T89 A90	T89-Q93 PolarHBondContact O-N 2.86Å; A90-Q93 PolarHBondContact O-N 3.29Å
94	A	44.6	Very low	46.7	Very low	28 Å²	28	89.2 Å²	89.2	23%	0.231	44%	0.437	C	S	.	.			trans	-69.1	155.3	-176.6	0	0	0	0	0	113.5	A90 D98 L99	A90-A94 WeakPolarHBondContact O-CA 3.13Å; A90-A94 WeakPolarHBondContact O-CB 3.36Å; A90-A94 PolarHBondContact O-N 2.98Å; A94-D98 HydrophobicContact CB-CB 3.99Å; A94-L99 HydrophobicContact CB-CD1 4.03Å
95	K	51.1	Low	46.7	Very low	160 Å²	160	87.8 Å²	87.8	70%	0.696	44%	0.436	S	S	*	.			trans	-92.5	166.8	157.7	-65.8	-174.8	176.9	-171.5	0	109.3	E97 D98	K95-E97 PolarHBondContact O-N 2.97Å; K95-E97 VanDerWaalsContact O-N 3.1Å; K95-D98 PolarHBondContact N-OD2 3.27Å; K95-D98 PolarHBondContact O-N 3.5Å
96	A	49.2	Very low	46.7	Very low	39 Å²	39	82.3 Å²	82.3	32%	0.322	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-52	-37.3	-177.2	0	0	0	0	0	113.6	D98 L99 L122	A96-D98 VanDerWaalsContact C-N 3.31Å; A96-D98 PolarHBondContact O-N 2.94Å; A96-L99 PolarHBondContact O-N 3.23Å; A96-L122 HydrophobicContact CB-CD2 3.85Å
97	E	52.2	Low	47.1	Very low	176 Å²	176	80.5 Å²	80.5	82%	0.822	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-61.9	-30.6	179.7	-64.5	173.5	-151.4	0	0	114	K95 L99	K95-E97 PolarHBondContact O-N 2.97Å; K95-E97 VanDerWaalsContact O-N 3.1Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.49Å
98	D	46.7	Very low	46.9	Very low	101 Å²	101	85.3 Å²	85.3	54%	0.54	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-81.5	-7.5	-179.5	-55	-69.1	0	0	0	112.9	A94 K95 A96	A94-D98 HydrophobicContact CB-CB 3.99Å; K95-D98 PolarHBondContact N-OD2 3.27Å; K95-D98 PolarHBondContact O-N 3.5Å; A96-D98 VanDerWaalsContact C-N 3.31Å; A96-D98 PolarHBondContact O-N 2.94Å
99	L	51.2	Low	46.7	Very low	2 Å²	2	82.6 Å²	82.6	1%	0.01	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-22.2	-171.3	-134.2	74.7	0	0	0	114.4	T91 A94 A96 E97 L102 L103 C118 I121 L122	T91-L99 HydrophobicContact CG2-CD1 4.12Å; A94-L99 HydrophobicContact CB-CD1 4.03Å; A96-L99 PolarHBondContact O-N 3.23Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.49Å; L99-L102 HydrophobicContact CD1-CD1 4.36Å; L99-L102 CarbonylContact O-C 3.19Å; L99-L102 WeakPolarHBondContact O-CA 3.41Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.27Å; L99-L102 VanDerWaalsContact O-N 3.16Å; L99-L103 PolarHBondContact O-N 2.05Å; L99-C118 HydrophobicContact CD2-CB 3.68Å; L99-C118 VanDerWaalsContact CD2-O 3.3Å; L99-C118 WeakPolarHBondContact CD2-O 3.25Å; L99-C118 HydrophobicContact CG-CB 4.09Å; L99-I121 HydrophobicContact CD2-CB 4.37Å; L99-I121 HydrophobicContact CD2-CG2 4.26Å; L99-L122 HydrophobicContact CB-CD2 4.42Å; L99-L122 HydrophobicContact CD2-CD1 4.09Å; L99-L122 HydrophobicContact CD2-CD2 4.39Å; L99-L122 HydrophobicContact CD2-CG 3.77Å
100	D	51.3	Low	46.4	Very low	106 Å²	106	85.4 Å²	85.4	57%	0.567	44%	0.436	S	S	*	.	H	α-helix	trans	-65.9	-44.8	177.7	-83.5	-12.5	0	0	0	112	L102 L103 Y104	D100-L102 PolarHBondContact O-N 3.22Å; D100-L103 PolarHBondContact O-N 2.66Å; D100-Y104 WeakPolarHBondContact O-CB 3.31Å; D100-Y104 PolarHBondContact O-N 3.38Å
101	D	46.6	Very low	46.7	Very low	130 Å²	130	86.8 Å²	86.8	70%	0.695	44%	0.44	S	S	*	.	H	α-helix	trans	-59.5	-30	172.6	-89.4	-17.2	0	0	0	111.6	A105	D101-A105 VanDerWaalsContact O-CB 3.28Å; D101-A105 WeakPolarHBondContact O-CB 3.42Å; D101-A105 PolarHBondContact O-N 2.77Å
102	L	45.9	Very low	46.6	Very low	27 Å²	27	92.2 Å²	92.2	14%	0.141	46%	0.464	C	S	.	.	H	α-helix	trans	-79.9	-37.5	180	-127.5	166.4	0	0	0	111.9	A87 A90 L99 D100 A106 L114	A87-L102 HydrophobicContact CB-CD1 4.5Å; A87-L102 HydrophobicContact CB-CD2 3.86Å; A90-L102 HydrophobicContact CB-CD1 4.01Å; L99-L102 HydrophobicContact CD1-CD1 4.36Å; L99-L102 CarbonylContact O-C 3.19Å; L99-L102 WeakPolarHBondContact O-CA 3.41Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.27Å; L99-L102 VanDerWaalsContact O-N 3.16Å; D100-L102 PolarHBondContact O-N 3.22Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.2Å; L102-L114 HydrophobicContact CD2-CD2 4.1Å
103	L	51.4	Low	46.7	Very low	35 Å²	35	94.3 Å²	94.3	18%	0.183	47%	0.465	C	S	.	.	H	α-helix	trans	-61.2	-50.1	168.1	-117.3	82.1	0	0	0	110.7	L99 D100 A105 A106 E107 E115 C118 L119 L122	L99-L103 PolarHBondContact O-N 2.05Å; D100-L103 PolarHBondContact O-N 2.66Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.42Å; L103-A106 CarbonylContact O-C 3.56Å; L103-A106 WeakPolarHBondContact O-CA 3.36Å; L103-A106 WeakPolarHBondContact O-CB 3.36Å; L103-A106 PolarHBondContact O-N 3.49Å; L103-E107 PolarHBondContact O-N 2.85Å; L103-E115 HydrophobicContact CG-CG 4.46Å; L103-C118 HydrophobicContact CD1-CB 3.28Å; L103-L119 HydrophobicContact CD2-CD2 3.87Å; L103-L119 HydrophobicContact CD2-CG 4.19Å; L103-L122 HydrophobicContact CD1-CD1 4.43Å
104	Y	45.4	Very low	46.5	Very low	142 Å²	142	87.2 Å²	87.2	56%	0.557	43%	0.433	S	S	*	.	H	α-helix	trans	-61.6	-38.6	-179.9	-176.7	-121.3	0	0	0	111.8	D100 I108	D100-Y104 WeakPolarHBondContact O-CB 3.31Å; D100-Y104 PolarHBondContact O-N 3.38Å; Y104-I108 HydrophobicContact CD1-CD1 3.94Å; Y104-I108 HydrophobicContact CD2-CD1 4.24Å; Y104-I108 HydrophobicContact CE1-CD1 3.64Å; Y104-I108 HydrophobicContact CE2-CD1 3.97Å; Y104-I108 HydrophobicContact CE2-CG1 4.46Å; Y104-I108 HydrophobicContact CG-CD1 4.23Å; Y104-I108 WeakPolarHBondContact O-CB 3.23Å; Y104-I108 WeakPolarHBondContact O-CD1 3.46Å; Y104-I108 VanDerWaalsContact O-CG1 3.24Å; Y104-I108 WeakPolarHBondContact O-CG1 3.46Å; Y104-I108 PolarHBondContact O-N 3.05Å
105	A	42.5	Very low	47.1	Very low	44 Å²	44	89.3 Å²	89.3	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-35.9	171.2	0	0	0	0	0	113.2	D101 L103 L109	D101-A105 VanDerWaalsContact O-CB 3.28Å; D101-A105 WeakPolarHBondContact O-CB 3.42Å; D101-A105 PolarHBondContact O-N 2.77Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.42Å; A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 WeakPolarHBondContact O-CD1 3.46Å; A105-L109 VanDerWaalsContact O-CG 3.23Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.79Å
106	A	47.1	Very low	47.4	Very low	1 Å²	1	86.4 Å²	86.4	1%	0.008	43%	0.427	C	S	.	.	H	α-helix	trans	-69.9	-41.6	175.9	0	0	0	0	0	112.3	L102 L103 L109 E110 I111 L114 E115	L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.2Å; L103-A106 CarbonylContact O-C 3.56Å; L103-A106 WeakPolarHBondContact O-CA 3.36Å; L103-A106 WeakPolarHBondContact O-CB 3.36Å; L103-A106 PolarHBondContact O-N 3.49Å; A106-L109 CarbonylContact O-C 3.54Å; A106-L109 PolarHBondContact O-N 2.99Å; A106-E110 PolarHBondContact O-N 3.31Å; A106-I111 PolarHBondContact O-N 3.03Å; A106-L114 HydrophobicContact CB-CB 4.32Å; A106-L114 HydrophobicContact CB-CD2 4.22Å; A106-L114 HydrophobicContact CB-CG 4.38Å; A106-E115 HydrophobicContact CB-CB 4.4Å
107	E	48.7	Very low	47.4	Very low	128 Å²	128	87.8 Å²	87.8	60%	0.598	43%	0.426	S	S	*	.	H	α-helix	trans	-61.1	-49	175.8	-172.7	-173.6	-170.5	0	0	110.8	L103 L109 E110	L103-E107 PolarHBondContact O-N 2.85Å; E107-L109 PolarHBondContact O-N 2.8Å; E107-L109 VanDerWaalsContact O-N 3.13Å; E107-E110 PolarHBondContact O-N 3.16Å; E107-E110 VanDerWaalsContact O-N 3.14Å
108	I	37.3	Very low	47.5	Very low	109 Å²	109	79.4 Å²	79.4	56%	0.559	39%	0.387	S	S	*	.	H	α-helix	trans	-58	-27.2	175.7	-74.6	169.6	0	0	0	112.7	Y104	Y104-I108 HydrophobicContact CD1-CD1 3.94Å; Y104-I108 HydrophobicContact CD2-CD1 4.24Å; Y104-I108 HydrophobicContact CE1-CD1 3.64Å; Y104-I108 HydrophobicContact CE2-CD1 3.97Å; Y104-I108 HydrophobicContact CE2-CG1 4.46Å; Y104-I108 HydrophobicContact CG-CD1 4.23Å; Y104-I108 WeakPolarHBondContact O-CB 3.23Å; Y104-I108 WeakPolarHBondContact O-CD1 3.46Å; Y104-I108 VanDerWaalsContact O-CG1 3.24Å; Y104-I108 WeakPolarHBondContact O-CG1 3.46Å; Y104-I108 PolarHBondContact O-N 3.05Å
109	L	38.7	Very low	48.2	Very low	103 Å²	103	78.3 Å²	78.3	54%	0.539	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	4.7	-177.6	-65.2	175.1	0	0	0	113.9	A105 A106 E107 I111	A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 WeakPolarHBondContact O-CD1 3.46Å; A105-L109 VanDerWaalsContact O-CG 3.23Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.79Å; A106-L109 CarbonylContact O-C 3.54Å; A106-L109 PolarHBondContact O-N 2.99Å; E107-L109 PolarHBondContact O-N 2.8Å; E107-L109 VanDerWaalsContact O-N 3.13Å; L109-I111 VanDerWaalsContact C-N 3.28Å; L109-I111 HydrophobicContact CB-CD1 3.75Å; L109-I111 HydrophobicContact CB-CG1 3.68Å; L109-I111 HydrophobicContact CD1-CD1 4.14Å; L109-I111 WeakPolarHBondContact O-CG1 3.42Å; L109-I111 PolarHBondContact O-N 3.27Å
110	E	40.7	Very low	48.6	Very low	129 Å²	129	82.4 Å²	82.4	60%	0.603	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	36.9	-175.3	-58.1	-179.6	159.8	0	0	113.7	K57 A106 E107 E112	K57-E110 IonicContact NZ-OE1 3Å; K57-E110 IonicContact NZ-OE2 3.7Å; K57-E110 PolarHBondContact NZ-OE2 3.2Å; A106-E110 PolarHBondContact O-N 3.31Å; E107-E110 PolarHBondContact O-N 3.16Å; E107-E110 VanDerWaalsContact O-N 3.14Å; E110-E112 PolarHBondContact O-N 2.66Å
111	I	49.2	Very low	48.8	Very low	47 Å²	47	79.6 Å²	79.6	24%	0.241	38%	0.383	C	S	.	.			trans	-95.3	68.1	-176.8	-45.7	-178.7	0	0	0	111.1	A106 L109 Y113 L114 E115	A106-I111 PolarHBondContact O-N 3.03Å; L109-I111 VanDerWaalsContact C-N 3.28Å; L109-I111 HydrophobicContact CB-CD1 3.75Å; L109-I111 HydrophobicContact CB-CG1 3.68Å; L109-I111 HydrophobicContact CD1-CD1 4.14Å; L109-I111 WeakPolarHBondContact O-CG1 3.42Å; L109-I111 PolarHBondContact O-N 3.27Å; I111-Y113 PolarHBondContact O-N 3.4Å; I111-L114 HydrophobicContact CB-CB 4.24Å; I111-L114 HydrophobicContact CG2-CB 3.71Å; I111-L114 PolarHBondContact O-N 2.89Å; I111-E115 PolarHBondContact O-N 3.36Å
112	E	43.3	Very low	49.3	Very low	134 Å²	134	74.3 Å²	74.3	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-43.2	-41.7	-178.7	-58.8	173.4	153.2	0	0	113.7	E110 E116	E110-E112 PolarHBondContact O-N 2.66Å; E112-E116 WeakPolarHBondContact O-CB 3.43Å; E112-E116 PolarHBondContact O-N 3.19Å
113	Y	46.2	Very low	50.1	Low	162 Å²	162	79.3 Å²	79.3	64%	0.635	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-36.9	-179.1	179.6	-96.6	0	0	0	113.3	I111 Q117	I111-Y113 PolarHBondContact O-N 3.4Å; Y113-Q117 HydrophobicContact CD1-CG 4.4Å; Y113-Q117 HydrophobicContact CE1-CG 3.93Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 2.87Å; Y113-Q117 VanDerWaalsContact O-N 3.15Å
114	L	47.8	Very low	50.5	Low	29 Å²	29	82 Å²	82	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-74	-41.5	-179	-174.3	63.6	0	0	0	110.3	L102 A106 I111 Q117 C118	L102-L114 HydrophobicContact CD2-CD2 4.1Å; A106-L114 HydrophobicContact CB-CB 4.32Å; A106-L114 HydrophobicContact CB-CD2 4.22Å; A106-L114 HydrophobicContact CB-CG 4.38Å; I111-L114 HydrophobicContact CB-CB 4.24Å; I111-L114 HydrophobicContact CG2-CB 3.71Å; I111-L114 PolarHBondContact O-N 2.89Å; L114-Q117 PolarHBondContact O-N 2.71Å; L114-C118 PolarHBondContact O-N 3.06Å; L114-C118 PolarHBondContact O-SG 3.2Å; L114-C118 VanDerWaalsContact O-SG 3.32Å
115	E	56.3	Low	51.1	Low	71 Å²	71	77 Å²	77	33%	0.332	38%	0.378	S	S	.	.	H	α-helix	trans	-54.5	-49.9	170.6	-171.9	-172.7	161.2	0	0	111.3	L103 A106 I111 Q117 C118 L119	L103-E115 HydrophobicContact CG-CG 4.46Å; A106-E115 HydrophobicContact CB-CB 4.4Å; I111-E115 PolarHBondContact O-N 3.36Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 3.32Å; E115-C118 PolarHBondContact O-N 2.92Å; E115-L119 HydrophobicContact CG-CD1 4.18Å; E115-L119 WeakPolarHBondContact O-CB 3.46Å; E115-L119 WeakPolarHBondContact O-CG 3.4Å; E115-L119 PolarHBondContact O-N 2.96Å
116	E	57.4	Low	51.9	Low	100 Å²	100	80.6 Å²	80.6	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-31.8	179.2	-157.8	-160.7	168	0	0	113.4	E112 K120	E112-E116 WeakPolarHBondContact O-CB 3.43Å; E112-E116 PolarHBondContact O-N 3.19Å; E116-K120 WeakPolarHBondContact O-CD 3.3Å; E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 3.42Å; E116-K120 WeakPolarHBondContact OE1-CE 3.48Å; E116-K120 IonicContact OE1-NZ 3.78Å; E116-K120 PolarHBondContact OE1-NZ 3.13Å; E116-K120 IonicContact OE2-NZ 2.62Å
117	Q	49.4	Very low	52.5	Low	67 Å²	67	83 Å²	83	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-74.1	-45	173.6	-65.8	-43.9	-80.8	0	0	111.8	Y113 L114 E115 L119 K120 I121	Y113-Q117 HydrophobicContact CD1-CG 4.4Å; Y113-Q117 HydrophobicContact CE1-CG 3.93Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 2.87Å; Y113-Q117 VanDerWaalsContact O-N 3.15Å; L114-Q117 PolarHBondContact O-N 2.71Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 3.32Å; Q117-L119 PolarHBondContact O-N 3.16Å; Q117-K120 PolarHBondContact O-N 2.75Å; Q117-I121 WeakPolarHBondContact O-CG1 3.46Å; Q117-I121 PolarHBondContact O-N 3.48Å; Q117-I121 VanDerWaalsContact O-N 3.08Å
118	C	53.4	Low	52.8	Low	0 Å²	0	79.7 Å²	79.7	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-40.9	179.9	-69.9	0	0	0	0	112	T91 L99 L103 L114 E115 K120 I121 L122	T91-C118 VanDerWaalsContact CG2-SG 3.54Å; L99-C118 HydrophobicContact CD2-CB 3.68Å; L99-C118 VanDerWaalsContact CD2-O 3.3Å; L99-C118 WeakPolarHBondContact CD2-O 3.25Å; L99-C118 HydrophobicContact CG-CB 4.09Å; L103-C118 HydrophobicContact CD1-CB 3.28Å; L114-C118 PolarHBondContact O-N 3.06Å; L114-C118 PolarHBondContact O-SG 3.2Å; L114-C118 VanDerWaalsContact O-SG 3.32Å; E115-C118 PolarHBondContact O-N 2.92Å; C118-K120 PolarHBondContact O-N 3Å; C118-I121 PolarHBondContact O-N 2.84Å; C118-L122 PolarHBondContact O-N 3.11Å
119	L	62.2	Low	53.5	Low	79 Å²	79	78.9 Å²	78.9	41%	0.414	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-44.2	174.7	-76	169	0	0	0	112.4	L103 E115 Q117 I121 L122 E123	L103-L119 HydrophobicContact CD2-CD2 3.87Å; L103-L119 HydrophobicContact CD2-CG 4.19Å; E115-L119 HydrophobicContact CG-CD1 4.18Å; E115-L119 WeakPolarHBondContact O-CB 3.46Å; E115-L119 WeakPolarHBondContact O-CG 3.4Å; E115-L119 PolarHBondContact O-N 2.96Å; Q117-L119 PolarHBondContact O-N 3.16Å; L119-I121 VanDerWaalsContact C-N 3.29Å; L119-I121 PolarHBondContact O-N 3.24Å; L119-L122 WeakPolarHBondContact O-CB 3.42Å; L119-L122 PolarHBondContact O-N 3.46Å; L119-E123 PolarHBondContact O-N 3.21Å
120	K	60.3	Low	54.2	Low	88 Å²	88	78.1 Å²	78.1	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-31.8	176.8	-72.4	168.9	-171.8	166.7	0	112.9	E116 Q117 C118 E123 T124	E116-K120 WeakPolarHBondContact O-CD 3.3Å; E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 3.42Å; E116-K120 WeakPolarHBondContact OE1-CE 3.48Å; E116-K120 IonicContact OE1-NZ 3.78Å; E116-K120 PolarHBondContact OE1-NZ 3.13Å; E116-K120 IonicContact OE2-NZ 2.62Å; Q117-K120 PolarHBondContact O-N 2.75Å; C118-K120 PolarHBondContact O-N 3Å; K120-E123 PolarHBondContact O-N 3.36Å; K120-T124 PolarHBondContact O-N 3.36Å; K120-T124 PolarHBondContact O-OG1 2.97Å
121	I	54.6	Low	54.7	Low	47 Å²	47	77.1 Å²	77.1	24%	0.241	39%	0.39	C	S	.	.	H	α-helix	trans	-69.7	-43	175.5	-69.4	165.5	0	0	0	110.2	T91 L99 Q117 C118 L119 E123 T124 I125	T91-I121 HydrophobicContact CG2-CD1 3.97Å; L99-I121 HydrophobicContact CD2-CB 4.37Å; L99-I121 HydrophobicContact CD2-CG2 4.26Å; Q117-I121 WeakPolarHBondContact O-CG1 3.46Å; Q117-I121 PolarHBondContact O-N 3.48Å; Q117-I121 VanDerWaalsContact O-N 3.08Å; C118-I121 PolarHBondContact O-N 2.84Å; L119-I121 VanDerWaalsContact C-N 3.29Å; L119-I121 PolarHBondContact O-N 3.24Å; I121-E123 PolarHBondContact O-N 3.36Å; I121-T124 WeakPolarHBondContact CA-OG1 3.35Å; I121-T124 PolarHBondContact O-N 3.27Å; I121-T124 PolarHBondContact O-OG1 3.46Å; I121-I125 HydrophobicContact CG2-CD1 3.9Å; I121-I125 WeakPolarHBondContact O-CG1 3.32Å; I121-I125 PolarHBondContact O-N 2.75Å
122	L	58.1	Low	54.6	Low	19 Å²	19	80.7 Å²	80.7	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-59.4	-43.6	171.8	-75.8	162.5	0	0	0	112.2	A96 L99 L103 C118 L119 T124 I125 Q126	A96-L122 HydrophobicContact CB-CD2 3.85Å; L99-L122 HydrophobicContact CB-CD2 4.42Å; L99-L122 HydrophobicContact CD2-CD1 4.09Å; L99-L122 HydrophobicContact CD2-CD2 4.39Å; L99-L122 HydrophobicContact CD2-CG 3.77Å; L103-L122 HydrophobicContact CD1-CD1 4.43Å; C118-L122 PolarHBondContact O-N 3.11Å; L119-L122 WeakPolarHBondContact O-CB 3.42Å; L119-L122 PolarHBondContact O-N 3.46Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 3.17Å; L122-I125 PolarHBondContact O-N 3.12Å; L122-Q126 WeakPolarHBondContact O-CB 3.43Å; L122-Q126 WeakPolarHBondContact O-CG 3.27Å; L122-Q126 PolarHBondContact O-N 3Å
123	E	62.9	Low	54.9	Low	131 Å²	131	78.2 Å²	78.2	61%	0.612	40%	0.404	S	S	*	.	H	α-helix	trans	-57.8	-43	173.5	-72.8	-178	149.4	0	0	111.7	L119 K120 I121 A127	L119-E123 PolarHBondContact O-N 3.21Å; K120-E123 PolarHBondContact O-N 3.36Å; I121-E123 PolarHBondContact O-N 3.36Å; E123-A127 VanDerWaalsContact O-CB 3.25Å; E123-A127 WeakPolarHBondContact O-CB 3.49Å; E123-A127 PolarHBondContact O-N 3Å
124	T	58.9	Low	55.1	Low	92 Å²	92	78.7 Å²	78.7	56%	0.564	41%	0.412	S	S	*	.	H	α-helix	trans	-69.5	-32.6	176.4	49.1	0	0	0	0	114.4	K120 I121 L122 S128	K120-T124 PolarHBondContact O-N 3.36Å; K120-T124 PolarHBondContact O-OG1 2.97Å; I121-T124 WeakPolarHBondContact CA-OG1 3.35Å; I121-T124 PolarHBondContact O-N 3.27Å; I121-T124 PolarHBondContact O-OG1 3.46Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 3.17Å; T124-S128 PolarHBondContact O-N 3.25Å; T124-S128 VanDerWaalsContact O-N 3.13Å; T124-S128 PolarHBondContact O-OG 3.02Å
125	I	58.5	Low	55.1	Low	38 Å²	38	81.3 Å²	81.3	20%	0.195	44%	0.438	C	S	.	.	H	α-helix	trans	-70.2	-46.5	176.5	-68.2	166.3	0	0	0	110.1	I121 L122 A127 S128 D129	I121-I125 HydrophobicContact CG2-CD1 3.9Å; I121-I125 WeakPolarHBondContact O-CG1 3.32Å; I121-I125 PolarHBondContact O-N 2.75Å; L122-I125 PolarHBondContact O-N 3.12Å; I125-A127 VanDerWaalsContact C-N 3.27Å; I125-A127 PolarHBondContact O-N 3.23Å; I125-S128 WeakPolarHBondContact CA-OG 3.23Å; I125-S128 PolarHBondContact O-N 3.21Å; I125-S128 PolarHBondContact O-OG 3.11Å; I125-D129 PolarHBondContact O-N 2.92Å
126	Q	58.4	Low	54.9	Low	119 Å²	119	83 Å²	83	56%	0.556	45%	0.453	S	S	*	.	H	α-helix	trans	-62.1	-36.9	175.7	-68.7	174.2	13.4	0	0	111.4	L122 S128 D129 D130	L122-Q126 WeakPolarHBondContact O-CB 3.43Å; L122-Q126 WeakPolarHBondContact O-CG 3.27Å; L122-Q126 PolarHBondContact O-N 3Å; Q126-S128 VanDerWaalsContact C-N 3.32Å; Q126-S128 PolarHBondContact O-N 2.87Å; Q126-D129 PolarHBondContact O-N 3.14Å; Q126-D130 PolarHBondContact O-N 2.86Å
127	A	59.4	Low	54.1	Low	51 Å²	51	86.3 Å²	86.3	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-26.4	173.9	0	0	0	0	0	113.8	E123 I125 N131	E123-A127 VanDerWaalsContact O-CB 3.25Å; E123-A127 WeakPolarHBondContact O-CB 3.49Å; E123-A127 PolarHBondContact O-N 3Å; I125-A127 VanDerWaalsContact C-N 3.27Å; I125-A127 PolarHBondContact O-N 3.23Å; A127-N131 PolarHBondContact O-ND2 3.04Å
128	S	55.5	Low	54.2	Low	58 Å²	58	88.3 Å²	88.3	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-75.1	-42.2	168.9	39	0	0	0	0	112.7	T124 I125 Q126 D130 N131 D132	T124-S128 PolarHBondContact O-N 3.25Å; T124-S128 VanDerWaalsContact O-N 3.13Å; T124-S128 PolarHBondContact O-OG 3.02Å; I125-S128 WeakPolarHBondContact CA-OG 3.23Å; I125-S128 PolarHBondContact O-N 3.21Å; I125-S128 PolarHBondContact O-OG 3.11Å; Q126-S128 VanDerWaalsContact C-N 3.32Å; Q126-S128 PolarHBondContact O-N 2.87Å; S128-D130 PolarHBondContact O-N 3.33Å; S128-N131 WeakPolarHBondContact O-CB 3.46Å; S128-N131 PolarHBondContact O-N 2.75Å; S128-N131 VanDerWaalsContact O-N 3.1Å; S128-D132 PolarHBondContact O-N 2.81Å; S128-D132 VanDerWaalsContact O-N 3.16Å
129	D	53	Low	53.6	Low	93 Å²	93	96.1 Å²	96.1	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-67.3	-35.9	-179.5	-66.2	-23.8	0	0	0	112.3	I125 Q126 N131 D132 T133	I125-D129 PolarHBondContact O-N 2.92Å; Q126-D129 PolarHBondContact O-N 3.14Å; D129-N131 VanDerWaalsContact C-N 3.28Å; D129-N131 PolarHBondContact O-N 3.41Å; D129-D132 PolarHBondContact O-N 3.15Å; D129-T133 WeakPolarHBondContact O-CG2 3.48Å; D129-T133 PolarHBondContact O-N 3Å; D129-T133 VanDerWaalsContact O-N 3.16Å; D129-T133 PolarHBondContact O-OG1 2.7Å
130	D	52.9	Low	52.5	Low	86 Å²	86	95.9 Å²	95.9	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-28.4	172.4	-89.1	0.8	0	0	0	111.5	Q126 S128 T133 E134 K149	Q126-D130 PolarHBondContact O-N 2.86Å; S128-D130 PolarHBondContact O-N 3.33Å; D130-T133 WeakPolarHBondContact CA-OG1 3.48Å; D130-T133 PolarHBondContact O-OG1 3.35Å; D130-E134 PolarHBondContact O-N 3.23Å; D130-K149 IonicContact OD1-NZ 2.73Å; D130-K149 IonicContact OD2-NZ 3.84Å; D130-K149 PolarHBondContact OD2-NZ 3.02Å
131	N	50.6	Low	51.3	Low	108 Å²	108	95.4 Å²	95.4	58%	0.578	58%	0.577	S	S	*	*	H	α-helix	trans	-76.9	-40.7	175.8	-87.8	-92.4	0	0	0	113	A127 S128 D129 T133	A127-N131 PolarHBondContact O-ND2 3.04Å; S128-N131 WeakPolarHBondContact O-CB 3.46Å; S128-N131 PolarHBondContact O-N 2.75Å; S128-N131 VanDerWaalsContact O-N 3.1Å; D129-N131 VanDerWaalsContact C-N 3.28Å; D129-N131 PolarHBondContact O-N 3.41Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.29Å
132	D	47.1	Very low	51	Low	123 Å²	123	97.9 Å²	97.9	66%	0.658	60%	0.604	S	S	*	*	H	α-helix	trans	-70.5	-23.1	177.4	-84	-18.4	0	0	0	112.2	S128 D129	S128-D132 PolarHBondContact O-N 2.81Å; S128-D132 VanDerWaalsContact O-N 3.16Å; D129-D132 PolarHBondContact O-N 3.15Å
133	T	49.9	Very low	50.7	Low	82 Å²	82	106.4 Å²	106.4	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-83.9	-36.8	176.1	48.4	0	0	0	0	113.9	D129 D130 N131 A135 T136	D129-T133 WeakPolarHBondContact O-CG2 3.48Å; D129-T133 PolarHBondContact O-N 3Å; D129-T133 VanDerWaalsContact O-N 3.16Å; D129-T133 PolarHBondContact O-OG1 2.7Å; D130-T133 WeakPolarHBondContact CA-OG1 3.48Å; D130-T133 PolarHBondContact O-OG1 3.35Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.29Å; T133-A135 PolarHBondContact O-N 3.25Å; T133-T136 PolarHBondContact O-N 3.11Å; T133-T136 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact O-OG1 3.04Å; T133-T136 VanDerWaalsContact O-OG1 3.13Å
134	E	49.6	Very low	50.2	Low	172 Å²	172	107.4 Å²	107.4	80%	0.804	65%	0.649	S	S	*	*	H	α-helix	trans	-57.4	-29.8	169.6	-87.4	-157	143.6	0	0	112.3	D130 T136	D130-E134 PolarHBondContact O-N 3.23Å; E134-T136 VanDerWaalsContact C-N 3.25Å; E134-T136 PolarHBondContact O-N 3.05Å
135	A	48.6	Very low	49.7	Very low	84 Å²	84	110.3 Å²	110.3	69%	0.694	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-11.1	179.8	0	0	0	0	0	115.1	T133	T133-A135 PolarHBondContact O-N 3.25Å
136	T	52	Low	48.9	Very low	105 Å²	105	117.1 Å²	117.1	64%	0.644	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-12.9	-167.6	42.2	0	0	0	0	117.4	T133 E134	T133-T136 PolarHBondContact O-N 3.11Å; T133-T136 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact O-OG1 3.04Å; T133-T136 VanDerWaalsContact O-OG1 3.13Å; E134-T136 VanDerWaalsContact C-N 3.25Å; E134-T136 PolarHBondContact O-N 3.05Å
137	M	41.7	Very low	48.1	Very low	170 Å²	170	115.9 Å²	115.9	84%	0.837	68%	0.684	S	S	*	*			trans	-127.7	87	-176.7	-75.7	-63	-163.5	0	0	114.3
138	A	51.1	Low	47.3	Very low	109 Å²	109	120.7 Å²	120.7	90%	0.901	69%	0.691	S	S	*	*			trans	-111.3	62.9	169	0	0	0	0	0	112
139	D	39.9	Very low	46.7	Very low	164 Å²	164	125.2 Å²	125.2	88%	0.877	70%	0.703	S	S	*	*	S	Bend	trans	-145.9	155.2	157.6	-154.1	-5.9	0	0	0	110.8
140	G	39.1	Very low	45.9	Very low	74 Å²	74	123.3 Å²	123.3	76%	0.763	70%	0.701	S	S	*	*			trans	-87.4	141.6	-157.7	0	0	0	0	0	116.7
141	G	34.9	Very low	45.5	Very low	78 Å²	78	124.9 Å²	124.9	80%	0.804	70%	0.7	S	S	*	*			trans	-171.9	36.6	176.9	0	0	0	0	0	115.2	E143	G141-E143 PolarHBondContact O-N 2.94Å
142	A	49.9	Very low	45	Very low	99 Å²	99	129 Å²	129	82%	0.818	71%	0.709	S	S	*	*			trans	-74.4	106.2	-173.2	0	0	0	0	0	113.2
143	E	49.9	Very low	44.7	Very low	198 Å²	198	130 Å²	130	93%	0.925	71%	0.713	S	S	*	*	S	Bend	trans	-174.4	30.9	144.3	-107.5	174.2	-140.8	0	0	114.6	G141	G141-E143 PolarHBondContact O-N 2.94Å
144	E	53.3	Low	44	Very low	153 Å²	153	133.1 Å²	133.1	72%	0.715	72%	0.72	S	S	*	*	S	Bend	trans	-141.9	2.9	179.8	-136.1	-179.6	-137.7	0	0	117.6
145	E	48.1	Very low	43.4	Very low	152 Å²	152	131 Å²	131	71%	0.71	71%	0.714	S	S	*	*	S	Bend	trans	-81	-45	-170.6	-159.1	74.7	-116.7	0	0	114.3	D147 R148	E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.46Å; E145-R148 VanDerWaalsContact O-CB 3.28Å; E145-R148 WeakPolarHBondContact O-CB 3.18Å; E145-R148 PolarHBondContact O-N 3.09Å
146	E	42.8	Very low	43.2	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	72%	0.715	S	S	*	*	H	α-helix	trans	-64.7	-33.9	-167.4	-168.1	172.8	-168.8	0	0	113.1	R148	E146-R148 PolarHBondContact O-N 3.45Å
147	D	40.3	Very low	42.6	Very low	93 Å²	93	137.6 Å²	137.6	50%	0.497	72%	0.724	S	S	.	*	H	α-helix	trans	-73.7	-7.6	178.3	-165.9	62.7	0	0	0	113	E145 R151	E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.46Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-NE 2.62Å; D147-R151 VanDerWaalsContact O-NE 3.11Å; D147-R151 IonicContact OD2-CZ 3.9Å; D147-R151 IonicContact OD2-NE 3.99Å; D147-R151 PolarHBondContact OD2-NE 2.92Å; D147-R151 IonicContact OD2-NH2 3.31Å; D147-R151 PolarHBondContact OD2-NH2 2.58Å
148	R	43.9	Very low	42.2	Very low	153 Å²	153	136 Å²	136	58%	0.577	72%	0.717	S	S	*	*	H	α-helix	trans	-81.5	-49.2	177.8	-145.3	-177.6	-154.3	103.6	-0.5	112.3	E145 E146 A150 R151	E145-R148 VanDerWaalsContact O-CB 3.28Å; E145-R148 WeakPolarHBondContact O-CB 3.18Å; E145-R148 PolarHBondContact O-N 3.09Å; E146-R148 PolarHBondContact O-N 3.45Å; R148-A150 PolarHBondContact O-N 3.04Å; R148-R151 PolarHBondContact O-N 3.15Å; R148-R151 VanDerWaalsContact O-N 3.11Å
149	K	42.3	Very low	41	Very low	152 Å²	152	136.2 Å²	136.2	66%	0.661	71%	0.712	S	S	*	*	H	α-helix	trans	-63.1	-30.3	175.9	-75.8	-170.4	174.4	-175.8	0	111.2	D130 R151	D130-K149 IonicContact OD1-NZ 2.73Å; D130-K149 IonicContact OD2-NZ 3.84Å; D130-K149 PolarHBondContact OD2-NZ 3.02Å; K149-R151 PolarHBondContact O-N 3.45Å
150	A	37	Very low	40.5	Very low	53 Å²	53	137.2 Å²	137.2	44%	0.438	71%	0.709	S	S	.	*	H	α-helix	trans	-68.2	-27.1	173.5	0	0	0	0	0	115	R148 K154	R148-A150 PolarHBondContact O-N 3.04Å; A150-K154 WeakPolarHBondContact O-CB 3.36Å
151	R	43.2	Very low	40.1	Very low	120 Å²	120	141.8 Å²	141.8	45%	0.453	71%	0.71	S	S	.	*	H	α-helix	trans	-82	-25	-175.1	-84.6	-175.7	-105.3	143.9	-5.7	114.6	D147 R148 K149 N155	D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-NE 2.62Å; D147-R151 VanDerWaalsContact O-NE 3.11Å; D147-R151 IonicContact OD2-CZ 3.9Å; D147-R151 IonicContact OD2-NE 3.99Å; D147-R151 PolarHBondContact OD2-NE 2.92Å; D147-R151 IonicContact OD2-NH2 3.31Å; D147-R151 PolarHBondContact OD2-NH2 2.58Å; R148-R151 PolarHBondContact O-N 3.15Å; R148-R151 VanDerWaalsContact O-N 3.11Å; K149-R151 PolarHBondContact O-N 3.45Å; R151-N155 PolarHBondContact O-N 2.98Å
152	Y	40	Very low	39.6	Very low	193 Å²	193	143.7 Å²	143.7	76%	0.757	71%	0.711	S	S	*	*	H	α-helix	trans	-70.7	-52.2	178.8	-153.3	-92.9	0	0	0	111.6	K154 N155	Y152-K154 PolarHBondContact O-N 3.44Å; Y152-N155 PolarHBondContact O-N 3.39Å
153	L	40.7	Very low	38.5	Very low	144 Å²	144	143 Å²	143	75%	0.754	70%	0.7	S	S	*	*	H	α-helix	trans	-59.5	-28.3	176.7	-74.1	168.2	0	0	0	113.6
154	K	36.6	Very low	37.6	Very low	149 Å²	149	141.5 Å²	141.5	65%	0.648	69%	0.693	S	S	*	*	H	α-helix	trans	-83.5	-24.2	-176	-156.8	169	-172.9	175	0	113.7	A150 Y152 F157	A150-K154 WeakPolarHBondContact O-CB 3.36Å; Y152-K154 PolarHBondContact O-N 3.44Å; K154-F157 PolarHBondContact O-N 3.22Å
155	N	36.3	Very low	36.4	Very low	126 Å²	126	142.6 Å²	142.6	67%	0.674	70%	0.698	S	S	*	*	H	α-helix	trans	-79.1	-16.4	-177	-81.9	-4.7	0	0	0	114.3	R151 Y152 F157	R151-N155 PolarHBondContact O-N 2.98Å; Y152-N155 PolarHBondContact O-N 3.39Å; N155-F157 VanDerWaalsContact C-N 3.27Å; N155-F157 PolarHBondContact O-N 3.36Å
156	I	43.3	Very low	35.4	Very low	141 Å²	141	141.1 Å²	141.1	72%	0.723	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-26.5	172.5	-65.8	177	0	0	0	111.4
157	F	39.3	Very low	34.6	Very low	187 Å²	187	136.2 Å²	136.2	82%	0.82	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-12.4	-165.1	-126.3	-88.9	0	0	0	117.1	K154 N155	K154-F157 PolarHBondContact O-N 3.22Å; N155-F157 VanDerWaalsContact C-N 3.27Å; N155-F157 PolarHBondContact O-N 3.36Å
158	I	33.6	Very low	33.9	Very low	137 Å²	137	142.9 Å²	142.9	70%	0.703	72%	0.723	S	S	*	*			trans	-143.7	95	179.3	-49.4	179.3	0	0	0	112.8
159	S	26.8	Very low	33	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	73%	0.73	S	S	*	*			trans	-163	116.1	149.4	-169.5	0	0	0	0	113.1
160	K	29.8	Very low	32.3	Very low	185 Å²	185	137.6 Å²	137.6	80%	0.804	73%	0.734	S	S	*	*			trans	157.9	117.6	159	-94.2	175.5	178.8	173	0	107.7
161	H	29.1	Very low	32	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.787	75%	0.749	S	S	*	*			cis	-137	159.6	0.3	-100.2	-91.3	0	0	0	110.4
162	S	24.8	Very low	31.2	Very low	119 Å²	119	140.3 Å²	140.3	83%	0.832	77%	0.769	S	S	*	*			trans	-119.3	162	151.8	-171.5	0	0	0	0	108.6
163	S	27.9	Very low	30.6	Very low	85 Å²	85	134.6 Å²	134.6	59%	0.594	77%	0.769	S	S	*	*			trans	-100.6	175.2	-167.5	-161.8	0	0	0	0	114
164	E	30.8	Very low	30.1	Very low	166 Å²	166	136.8 Å²	136.8	78%	0.776	78%	0.775	S	S	*	*			trans	65.7	146.7	159.1	-80.3	126.1	-111.5	0	0	118.6
165	E	28.5	Very low	29.6	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	78%	0.782	S	S	*	*			cis	-159.6	164.8	-14.9	-149.6	-170.6	-165.2	0	0	110.2
166	S	26.5	Very low	29.1	Very low	120 Å²	120	137.3 Å²	137.3	84%	0.839	79%	0.793	S	S	*	*			trans	57.1	124.3	151.1	-158.5	0	0	0	0	121.6
167	G	25.9	Very low	28.9	Very low	79 Å²	79	136.4 Å²	136.4	81%	0.814	80%	0.796	S	S	*	*			trans	-178.2	92.5	173.6	0	0	0	0	0	115.9
168	Y	24.7	Very low	28.3	Very low	232 Å²	232	131.8 Å²	131.8	91%	0.91	79%	0.792	S	S	*	*			trans	-70.4	138.9	-166.6	-144.2	-109	0	0	0	117.4
169	A	26.4	Very low	28.9	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	79%	0.794	S	S	*	*			trans	65.2	165.8	150.6	0	0	0	0	0	121.7
170	S	28.1	Very low	29	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	80%	0.796	S	S	*	*			cis	-173.7	164.8	-37.9	-163.7	0	0	0	0	112.2
171	V	29.3	Very low	29.1	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	79%	0.793	S	S	*	*			trans	72.6	99.8	161.4	-165.9	0	0	0	0	122.4
172	A	26.9	Very low	28.9	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	79%	0.79	S	S	*	*				30.6	151.4	125.8	0	0	0	0	0	126.8
173	G	26.7	Very low	29	Very low	73 Å²	73	131.5 Å²	131.5	75%	0.753	79%	0.79	S	S	*	*			trans	132.3	101.4	156.3	0	0	0	0	0	114.1
174	Q	30.1	Very low	29	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	80%	0.799	S	S	*	*				84.8	112.6	67.8	-77.4	-160.8	16.5	0	0	118
175	S	26.2	Very low	29.6	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	80%	0.799	S	S	*	*			trans	89.6	153.1	137.1	-58.5	0	0	0	0	123.6
176	L	26	Very low	29.5	Very low	173 Å²	173	126.8 Å²	126.8	91%	0.906	79%	0.792	S	S	*	*			trans	-92	-173.6	-175.8	-68.3	167.6	0	0	0	111.9
177	P	40	Very low	29.5	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	79%	0.792	S	S	*	*			cis	-141.7	-166.7	10.6	43.1	-21.2	0	0	0	117.8
178	A	26.5	Very low	29.5	Very low	89 Å²	89	128.4 Å²	128.4	74%	0.736	79%	0.785	S	S	*	*			trans	-97.6	-175.1	173.3	0	0	0	0	0	112.8
179	P	45.8	Very low	29.6	Very low	114 Å²	114	124.3 Å²	124.3	74%	0.74	78%	0.784	S	S	*	*				-164.1	-174.2	74	45.7	-23.6	0	0	0	119.9
180	M	29.1	Very low	29.5	Very low	171 Å²	171	125.1 Å²	125.1	84%	0.842	78%	0.784	S	S	*	*			trans	72.2	158	151.1	-66	-108.6	170.1	0	0	122.3
181	V	31.5	Very low	29.4	Very low	120 Å²	120	130.2 Å²	130.2	73%	0.727	79%	0.794	S	S	*	*			cis	-170.3	161.8	-35.6	82	0	0	0	0	114
182	D	24.7	Very low	29.1	Very low	138 Å²	138	127.4 Å²	127.4	74%	0.738	79%	0.79	S	S	*	*			trans	93.3	149.9	153	-115.8	-30.6	0	0	0	128
183	Q	27.8	Very low	29.3	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	79%	0.793	S	S	*	*			trans	80.5	137.4	159.7	-74.4	170	59.1	0	0	122.7
184	S	27.4	Very low	29.4	Very low	112 Å²	112	133 Å²	133	78%	0.783	80%	0.796	S	S	*	*			trans	-161.6	168.5	179.1	70.9	0	0	0	0	109.7
185	P	43.7	Very low	29.5	Very low	121 Å²	121	128.5 Å²	128.5	79%	0.786	79%	0.792	S	S	*	*				-149.2	-142.7	75.9	39.2	-14.9	0	0	0	111.7
186	S	26.8	Very low	29.7	Very low	95 Å²	95	131 Å²	131	66%	0.664	79%	0.793	S	S	*	*			cis	-169.8	152.3	2	44.2	0	0	0	0	111.9
187	V	26.4	Very low	30.1	Very low	139 Å²	139	126.3 Å²	126.3	84%	0.842	78%	0.775	S	S	*	*			trans	58.4	128	151.4	170.8	0	0	0	0	118.7
188	S	25.2	Very low	30.1	Very low	94 Å²	94	125.9 Å²	125.9	66%	0.657	77%	0.772	S	S	*	*			cis	-165	164.9	-8.4	-99.2	0	0	0	0	111.9
189	T	26	Very low	31.1	Very low	145 Å²	145	126.2 Å²	126.2	89%	0.89	77%	0.765	S	S	*	*			trans	63.6	136.9	175.6	66.9	0	0	0	0	117
190	S	25.6	Very low	30.8	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	76%	0.759	S	S	*	*			cis	-144.4	167.2	1.3	61.5	0	0	0	0	112.2	G192	S190-G192 PolarHBondContact O-N 2.81Å
191	F	25.6	Very low	31.4	Very low	213 Å²	213	122.5 Å²	122.5	93%	0.934	75%	0.745	S	S	*	*			trans	3.9	101.9	176.5	-75	-86.7	0	0	0	118.4
192	G	23.8	Very low	31.7	Very low	68 Å²	68	119.2 Å²	119.2	70%	0.701	73%	0.73	S	S	*	*			trans	-101.5	135.2	165.3	0	0	0	0	0	112	S190	S190-G192 PolarHBondContact O-N 2.81Å
193	L	30.9	Very low	32.5	Very low	175 Å²	175	116.6 Å²	116.6	92%	0.916	72%	0.719	S	S	*	*			trans	-129.7	61.5	166.6	-75.4	178.6	0	0	0	110.4	A195	L193-A195 PolarHBondContact O-N 2.92Å
194	S	28.4	Very low	32.9	Very low	118 Å²	118	112.5 Å²	112.5	83%	0.825	70%	0.703	S	S	*	*			trans	-76.5	99.3	161.5	-63.7	0	0	0	0	108.4	M196	S194-M196 PolarHBondContact O-N 3.33Å
195	A	33.3	Very low	33.6	Very low	96 Å²	96	110.4 Å²	110.4	79%	0.793	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-62.5	121.9	179.6	0	0	0	0	0	111.1	L193	L193-A195 PolarHBondContact O-N 2.92Å
196	M	30.3	Very low	33.3	Very low	167 Å²	167	110.3 Å²	110.3	82%	0.823	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-66.7	140.8	152.2	-72.6	-70.6	135.8	0	0	107.7	S194	S194-M196 PolarHBondContact O-N 3.33Å
197	S	34.5	Very low	33.9	Very low	73 Å²	73	111.5 Å²	111.5	51%	0.51	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-59.2	139.5	-179.1	51.3	0	0	0	0	111.2	T199 K200	S197-T199 PolarHBondContact O-N 2.8Å; S197-T199 PolarHBondContact OG-OG1 3.23Å; S197-K200 PolarHBondContact O-N 3.31Å
198	P	40	Very low	34.6	Very low	113 Å²	113	109.1 Å²	109.1	73%	0.734	66%	0.663	S	S	*	*	H	α-helix	trans	-56.4	-25.3	-175.3	-27.7	35.2	0	0	0	114.3	K200 A202	P198-K200 PolarHBondContact O-N 3.3Å; P198-A202 PolarHBondContact O-N 3.4Å
199	T	46.3	Very low	35.3	Very low	96 Å²	96	109.3 Å²	109.3	59%	0.589	66%	0.656	S	S	*	*	H	α-helix	trans	-61.9	-34.7	-175.6	50.1	0	0	0	0	113.9	S197 V203	S197-T199 PolarHBondContact O-N 2.8Å; S197-T199 PolarHBondContact OG-OG1 3.23Å; T199-V203 WeakPolarHBondContact O-CG2 3.44Å; T199-V203 PolarHBondContact O-N 3.34Å
200	K	38.7	Very low	35.9	Very low	141 Å²	141	104.2 Å²	104.2	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-76.1	-42.6	-175.5	-166.6	168.9	-177.4	178.3	0	113.2	S197 P198 A202 V203 D204	S197-K200 PolarHBondContact O-N 3.31Å; P198-K200 PolarHBondContact O-N 3.3Å; K200-A202 VanDerWaalsContact C-N 3.28Å; K200-A202 PolarHBondContact O-N 3.05Å; K200-V203 PolarHBondContact O-N 3.06Å; K200-D204 PolarHBondContact O-N 3.32Å; K200-D204 VanDerWaalsContact O-N 3.11Å
201	A	42.4	Very low	36.6	Very low	67 Å²	67	106 Å²	106	55%	0.554	63%	0.628	S	S	*	*	H	α-helix	trans	-64.4	-33.7	177.9	0	0	0	0	0	112.4	S205	A201-S205 WeakPolarHBondContact O-CB 3.2Å; A201-S205 PolarHBondContact O-N 3.2Å; A201-S205 PolarHBondContact O-OG 2.95Å
202	A	37.6	Very low	37.2	Very low	51 Å²	51	99.7 Å²	99.7	42%	0.421	61%	0.61	S	S	.	*	H	α-helix	trans	-65.8	-43.6	173.7	0	0	0	0	0	112.4	P198 K200 S205 L206	P198-A202 PolarHBondContact O-N 3.4Å; K200-A202 VanDerWaalsContact C-N 3.28Å; K200-A202 PolarHBondContact O-N 3.05Å; A202-S205 PolarHBondContact O-N 2.88Å; A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 3.03Å
203	V	42.4	Very low	37.9	Very low	83 Å²	83	103.2 Å²	103.2	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-66.7	-46.5	-179.5	169.9	0	0	0	0	112.1	T199 K200 S205 L206 M207	T199-V203 WeakPolarHBondContact O-CG2 3.44Å; T199-V203 PolarHBondContact O-N 3.34Å; K200-V203 PolarHBondContact O-N 3.06Å; V203-S205 VanDerWaalsContact C-N 3.27Å; V203-S205 PolarHBondContact O-N 3.32Å; V203-L206 PolarHBondContact O-N 2.87Å; V203-M207 WeakPolarHBondContact O-CG 3.36Å; V203-M207 PolarHBondContact O-N 3.03Å
204	D	36	Very low	38.3	Very low	89 Å²	89	101.5 Å²	101.5	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-32.7	178.4	-71.6	-30	0	0	0	111.6	K200 T208	K200-D204 PolarHBondContact O-N 3.32Å; K200-D204 VanDerWaalsContact O-N 3.11Å; D204-T208 WeakPolarHBondContact O-CB 3.34Å; D204-T208 PolarHBondContact O-N 2.95Å; D204-T208 VanDerWaalsContact O-N 3.09Å; D204-T208 PolarHBondContact O-OG1 3.45Å
205	S	41.2	Very low	39.1	Very low	68 Å²	68	104.3 Å²	104.3	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-64	-46.2	171.9	-60	0	0	0	0	112.2	A201 A202 V203 T208 I209	A201-S205 WeakPolarHBondContact O-CB 3.2Å; A201-S205 PolarHBondContact O-N 3.2Å; A201-S205 PolarHBondContact O-OG 2.95Å; A202-S205 PolarHBondContact O-N 2.88Å; V203-S205 VanDerWaalsContact C-N 3.27Å; V203-S205 PolarHBondContact O-N 3.32Å; S205-T208 PolarHBondContact O-N 3.33Å; S205-I209 WeakPolarHBondContact O-CG1 3.29Å; S205-I209 PolarHBondContact O-N 3.43Å
206	L	37.7	Very low	38.9	Very low	119 Å²	119	103.3 Å²	103.3	62%	0.623	60%	0.603	S	S	*	*	H	α-helix	trans	-66.3	-38.5	179.3	-73.6	167.2	0	0	0	112.5	A202 V203 T208 I209 G210	A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 3.03Å; V203-L206 PolarHBondContact O-N 2.87Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-I209 PolarHBondContact O-N 3.13Å; L206-G210 PolarHBondContact O-N 2.73Å
207	M	40.5	Very low	38.9	Very low	121 Å²	121	101.5 Å²	101.5	60%	0.596	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-36.2	174.8	-69.4	-63.7	-72.4	0	0	112.3	V203 G210 Q211	V203-M207 WeakPolarHBondContact O-CG 3.36Å; V203-M207 PolarHBondContact O-N 3.03Å; M207-G210 PolarHBondContact O-N 3.45Å; M207-Q211 PolarHBondContact O-N 3.17Å; M207-Q211 VanDerWaalsContact O-N 3.1Å
208	T	41.2	Very low	38.7	Very low	88 Å²	88	105.4 Å²	105.4	54%	0.54	62%	0.616	S	S	.	*	H	α-helix	trans	-66.7	-39.3	175.2	-55.8	0	0	0	0	111.7	D204 S205 L206 S212	D204-T208 WeakPolarHBondContact O-CB 3.34Å; D204-T208 PolarHBondContact O-N 2.95Å; D204-T208 VanDerWaalsContact O-N 3.09Å; D204-T208 PolarHBondContact O-OG1 3.45Å; S205-T208 PolarHBondContact O-N 3.33Å; L206-T208 VanDerWaalsContact C-N 3.34Å; T208-S212 WeakPolarHBondContact O-CB 3.47Å; T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 VanDerWaalsContact O-N 3.07Å; T208-S212 PolarHBondContact O-OG 3.45Å
209	I	38.8	Very low	38.1	Very low	99 Å²	99	108.2 Å²	108.2	51%	0.508	62%	0.619	S	S	.	*	H	α-helix	trans	-64.1	-43.2	173.2	-68.2	163.3	0	0	0	110.6	S205 L206 Q211 S212 L213	S205-I209 WeakPolarHBondContact O-CG1 3.29Å; S205-I209 PolarHBondContact O-N 3.43Å; L206-I209 PolarHBondContact O-N 3.13Å; I209-Q211 PolarHBondContact O-N 2.81Å; I209-S212 PolarHBondContact O-N 3.36Å; I209-L213 HydrophobicContact CG2-CD1 4.24Å; I209-L213 PolarHBondContact O-N 3.42Å
210	G	38.5	Very low	37.8	Very low	37 Å²	37	109 Å²	109	38%	0.381	63%	0.626	S	S	.	*	H	α-helix	trans	-59.9	-40	178.3	0	0	0	0	0	113.9	L206 M207	L206-G210 PolarHBondContact O-N 2.73Å; M207-G210 PolarHBondContact O-N 3.45Å
211	Q	40.7	Very low	37.4	Very low	143 Å²	143	108.4 Å²	108.4	67%	0.668	64%	0.636	S	S	*	*	H	α-helix	trans	-75.9	-33.4	176.3	-69.9	-175.1	-10.5	0	0	112.8	M207 I209 L213 L214	M207-Q211 PolarHBondContact O-N 3.17Å; M207-Q211 VanDerWaalsContact O-N 3.1Å; I209-Q211 PolarHBondContact O-N 2.81Å; Q211-L213 PolarHBondContact O-N 2.73Å; Q211-L214 PolarHBondContact O-N 3.07Å; Q211-L214 VanDerWaalsContact O-N 3.16Å
212	S	39	Very low	36.7	Very low	81 Å²	81	110.1 Å²	110.1	57%	0.566	65%	0.651	S	S	*	*	H	α-helix	trans	-63.7	-23.7	176.8	-58.4	0	0	0	0	113.4	T208 I209	T208-S212 WeakPolarHBondContact O-CB 3.47Å; T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 VanDerWaalsContact O-N 3.07Å; T208-S212 PolarHBondContact O-OG 3.45Å; I209-S212 PolarHBondContact O-N 3.36Å
213	L	37.4	Very low	36.2	Very low	142 Å²	142	111 Å²	111	74%	0.743	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4	177.8	-72.6	166.5	0	0	0	114.3	I209 Q211	I209-L213 HydrophobicContact CG2-CD1 4.24Å; I209-L213 PolarHBondContact O-N 3.42Å; Q211-L213 PolarHBondContact O-N 2.73Å
214	L	40.1	Very low	36.2	Very low	139 Å²	139	112.8 Å²	112.8	73%	0.728	68%	0.678	S	S	*	*	S	Bend	trans	-111	4.5	-177.6	-73	170.6	0	0	0	114.5	Q211	Q211-L214 PolarHBondContact O-N 3.07Å; Q211-L214 VanDerWaalsContact O-N 3.16Å
215	Q	44.7	Very low	35.8	Very low	177 Å²	177	117.3 Å²	117.3	83%	0.827	70%	0.696	S	S	*	*	S	Bend	trans	-144.9	87.4	169.5	-93.5	119.9	77.3	0	0	110.5
216	G	28.1	Very low	35.3	Very low	76 Å²	76	122.2 Å²	122.2	78%	0.784	71%	0.711	S	S	*	*			trans	-159.2	66.1	-176.1	0	0	0	0	0	113.4
217	T	30.8	Very low	35.4	Very low	128 Å²	128	120.5 Å²	120.5	79%	0.785	71%	0.708	S	S	*	*			trans	-88.9	144.4	-177.5	46.7	0	0	0	0	114.3
218	L	30.6	Very low	34.8	Very low	155 Å²	155	120.8 Å²	120.8	81%	0.812	72%	0.716	S	S	*	*			trans	87.6	136.1	150	-71.9	160.3	0	0	0	121.9
219	Q	28.3	Very low	34.1	Very low	173 Å²	173	124.4 Å²	124.4	81%	0.808	73%	0.732	S	S	*	*			trans	94.7	133.2	139.1	-132.9	148.3	-18.3	0	0	120.5
220	P	38.3	Very low	33.7	Very low	112 Å²	112	124.3 Å²	124.3	73%	0.727	75%	0.745	S	S	*	*			trans	-98.7	156.5	177.9	38.4	-34.2	0	0	0	113.8
221	P	32	Very low	33.2	Very low	128 Å²	128	126.1 Å²	126.1	83%	0.831	76%	0.764	S	S	*	*			trans	-84.3	165.6	169.7	35.1	-34.5	0	0	0	113.2
222	A	27.5	Very low	32.5	Very low	104 Å²	104	123.7 Å²	123.7	86%	0.86	78%	0.777	S	S	*	*			trans	-94.4	175.9	-175.2	0	0	0	0	0	114.3
223	G	25.8	Very low	31.9	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	79%	0.787	S	S	*	*			trans	-78.8	-165.6	178.5	0	0	0	0	0	115
224	P	42.5	Very low	31.3	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	80%	0.797	S	S	*	*				-141	156.5	97.8	38.6	-26.1	0	0	0	116.3
225	E	28.7	Very low	30.6	Very low	185 Å²	185	130.7 Å²	130.7	86%	0.864	80%	0.802	S	S	*	*			trans	42.1	140.8	138.8	-61.4	175.7	169.7	0	0	120.6
226	E	30	Very low	30.4	Very low	170 Å²	170	128.1 Å²	128.1	79%	0.794	80%	0.801	S	S	*	*			cis	-161.3	-170.8	13.8	-129.9	-143.2	147.4	0	0	108.8
227	P	40.8	Very low	30.3	Very low	84 Å²	84	127.4 Å²	127.4	55%	0.545	79%	0.793	S	S	.	*				-126.4	161.5	-64.9	36.2	-19.2	0	0	0	115.7
228	T	26.7	Very low	30.1	Very low	126 Å²	126	128.2 Å²	128.2	77%	0.773	80%	0.798	S	S	*	*			trans	51.3	138.5	149.3	53.4	0	0	0	0	121.7
229	L	26.8	Very low	29.9	Very low	165 Å²	165	124.3 Å²	124.3	86%	0.864	79%	0.788	S	S	*	*			cis	-164.4	165.5	40.7	-128.8	155.8	0	0	0	112.7
230	A	29.4	Very low	29.8	Very low	96 Å²	96	124 Å²	124	79%	0.793	79%	0.787	S	S	*	*			trans	-44.1	164	-171.6	0	0	0	0	0	121.1
231	G	28.2	Very low	29.2	Very low	76 Å²	76	124.7 Å²	124.7	78%	0.784	79%	0.788	S	S	*	*			cis	153.6	160.3	-8.7	0	0	0	0	0	116.5
232	G	26.8	Very low	28.8	Very low	91 Å²	91	127.3 Å²	127.3	94%	0.938	79%	0.787	S	S	*	*			trans	94.1	134.4	168.4	0	0	0	0	0	117
233	G	26.6	Very low	28.7	Very low	74 Å²	74	128.1 Å²	128.1	76%	0.763	78%	0.781	S	S	*	*			cis	171.8	163.8	-10.5	0	0	0	0	0	115.5
234	R	25.7	Very low	28.6	Very low	255 Å²	255	132 Å²	132	96%	0.962	78%	0.78	S	S	*	*			trans	77.3	104.1	167.5	-64.5	-174.3	172	-175.9	-3.1	121.1
235	H	23.7	Very low	27.8	Very low	181 Å²	181	133.1 Å²	133.1	84%	0.838	78%	0.777	S	S	*	*			trans	-72.8	-173.6	143.1	-87.8	-92.7	0	0	0	111.4
236	P	40.6	Very low	27.5	Very low	122 Å²	122	130.9 Å²	130.9	79%	0.792	77%	0.768	S	S	*	*			cis	-122.6	-170.5	-12.6	16.6	9.6	0	0	0	111.9
237	G	26.5	Very low	27.3	Very low	61 Å²	61	130.8 Å²	130.8	63%	0.629	77%	0.768	S	S	*	*			cis	145.8	170.6	-3.9	0	0	0	0	0	112.6
238	V	26.3	Very low	26.6	Very low	145 Å²	145	133 Å²	133	88%	0.879	78%	0.78	S	S	*	*			trans	61.2	155.7	171.9	-109.5	0	0	0	0	116.7
239	A	27	Very low	26.4	Very low	74 Å²	74	134.7 Å²	134.7	61%	0.612	78%	0.784	S	S	*	*			cis	-148.5	147.7	5.7	0	0	0	0	0	114.7
240	E	26.6	Very low	26.2	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	78%	0.782	S	S	*	*				61.8	118.6	122	-67.8	-172.8	133.3	0	0	122.6
241	V	25.3	Very low	26	Very low	125 Å²	125	136.7 Å²	136.7	76%	0.758	78%	0.781	S	S	*	*				76.5	119.3	91.3	171.8	0	0	0	0	112.5
242	K	23.6	Very low	26.1	Very low	183 Å²	183	138.4 Å²	138.4	80%	0.796	78%	0.778	S	S	*	*				-169.4	164.9	72.4	-151.9	172.7	-179.7	-171.8	0	114
243	T	24.7	Very low	25.9	Very low	121 Å²	121	139 Å²	139	74%	0.742	77%	0.768	S	S	*	*			trans	-86.4	153.1	170	-29.1	0	0	0	0	111.8
244	E	25.1	Very low	25.8	Very low	151 Å²	151	143.7 Å²	143.7	71%	0.706	77%	0.77	S	S	*	*				178.5	160.2	120.8	-97.5	166.4	-171.6	0	0	116
245	M	24.6	Very low	25.6	Very low	143 Å²	143	137.9 Å²	137.9	70%	0.704	76%	0.758	S	S	*	*			trans	-48.7	171.4	169.3	60.5	-158.3	159.5	0	0	115.8
246	M	23	Very low	25.7	Very low	138 Å²	138	134.4 Å²	134.4	68%	0.68	75%	0.754	S	S	*	*			cis	-169.4	171.9	28.4	-159.1	144.3	65	0	0	113.9
247	Q	25.6	Very low	25.5	Very low	168 Å²	168	134.8 Å²	134.8	79%	0.785	76%	0.757	S	S	*	*			trans	81	174.4	147.1	-104.1	158.1	8.4	0	0	122
248	V	24.8	Very low	25.4	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	76%	0.761	S	S	*	*			trans	-145.4	148.8	-151.9	174.8	0	0	0	0	109.4
249	D	22.7	Very low	25.2	Very low	160 Å²	160	133.2 Å²	133.2	86%	0.856	76%	0.76	S	S	*	*			trans	-149.8	165.5	165.2	-116.4	-44.1	0	0	0	112.3
250	E	23.8	Very low	25.2	Very low	175 Å²	175	134.1 Å²	134.1	82%	0.818	77%	0.767	S	S	*	*			trans	-97	140.8	-162.9	-66.4	-168	84.7	0	0	117.8
251	V	25.3	Very low	25	Very low	128 Å²	128	135 Å²	135	78%	0.776	77%	0.771	S	S	*	*			trans	0.4	127.6	136.2	-179.7	0	0	0	0	115.6
252	P	30.7	Very low	25	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	77%	0.765	S	S	*	*				-152.9	151.1	76.8	39.3	-18.9	0	0	0	120.8
253	S	20.7	Very low	25.2	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	76%	0.763	S	S	*	*			trans	36.9	121.5	137.7	-49.9	0	0	0	0	122.5
254	Q	24.6	Very low	25.2	Very low	172 Å²	172	131 Å²	131	80%	0.804	76%	0.764	S	S	*	*				179.8	153.8	97	-97.6	-172.8	-97.7	0	0	114.6
255	D	22.1	Very low	25.3	Very low	133 Å²	133	129.6 Å²	129.6	71%	0.711	77%	0.771	S	S	*	*			trans	56.4	136	150.3	-66.6	-49.1	0	0	0	125.7
256	S	25.3	Very low	25.3	Very low	108 Å²	108	126.2 Å²	126.2	76%	0.755	77%	0.773	S	S	*	*			trans	-98.7	172.3	151.5	-59.5	0	0	0	0	107.9
257	P	37	Very low	25.5	Very low	130 Å²	130	123.1 Å²	123.1	84%	0.844	78%	0.776	S	S	*	*			cis	-151.8	-163.6	30.8	44.1	-21.4	0	0	0	116.5
258	G	23.6	Very low	25.6	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	78%	0.783	S	S	*	*			trans	99	127.8	166.8	0	0	0	0	0	113.7
259	A	24	Very low	25.8	Very low	103 Å²	103	121.1 Å²	121.1	85%	0.851	78%	0.779	S	S	*	*			cis	91	145.3	27.2	0	0	0	0	0	115.2
260	A	25.3	Very low	26.2	Very low	92 Å²	92	119.9 Å²	119.9	76%	0.76	77%	0.772	S	S	*	*			trans	71	117.1	-171.1	0	0	0	0	0	114.1
261	E	23.8	Very low	26.5	Very low	186 Å²	186	119.3 Å²	119.3	87%	0.869	77%	0.767	S	S	*	*				77.7	146	78.5	-74.8	-171.6	-177.6	0	0	114.9
262	S	25.2	Very low	26.7	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	76%	0.76	S	S	*	*			cis	-165.2	159.3	-22.1	62.5	0	0	0	0	111.3
263	S	26.4	Very low	26.7	Very low	108 Å²	108	120.9 Å²	120.9	76%	0.755	76%	0.763	S	S	*	*			trans	65.8	178.9	160.6	-53.7	0	0	0	0	116
264	I	25.7	Very low	27	Very low	148 Å²	148	122.2 Å²	122.2	76%	0.759	76%	0.758	S	S	*	*			cis	-146.5	137.4	9.6	-45.7	154.6	0	0	0	112.4
265	S	27	Very low	27.1	Very low	122 Å²	122	124.3 Å²	124.3	85%	0.853	76%	0.758	S	S	*	*			trans	59.8	158.7	156.7	65.4	0	0	0	0	120.6
266	G	25.6	Very low	27.4	Very low	72 Å²	72	121.2 Å²	121.2	74%	0.742	76%	0.758	S	S	*	*			cis	-168	150.6	-4.1	0	0	0	0	0	109.7
267	G	26.2	Very low	27.5	Very low	73 Å²	73	124.2 Å²	124.2	75%	0.753	76%	0.757	S	S	*	*				93.7	138.7	94.1	0	0	0	0	0	111.1
268	M	28.4	Very low	26.9	Very low	189 Å²	189	126 Å²	126	93%	0.931	75%	0.754	S	S	*	*			cis	-118.9	161.1	3.3	-81.6	60.6	166	0	0	108.9
269	G	29.3	Very low	26.9	Very low	69 Å²	69	126.2 Å²	126.2	71%	0.711	76%	0.756	S	S	*	*				87.5	134.9	58.1	0	0	0	0	0	109.3
270	D	30.1	Very low	27.3	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	76%	0.756	S	S	*	*			cis	-162.1	170.7	11.4	-99.8	-16.4	0	0	0	107
271	K	29.6	Very low	27.2	Very low	163 Å²	163	126.8 Å²	126.8	71%	0.709	76%	0.758	S	S	*	*			cis	-166.1	-178.7	-5.6	-112	171.9	177.8	71.8	0	106.4
272	V	31.1	Very low	27.3	Very low	105 Å²	105	124.3 Å²	124.3	64%	0.636	76%	0.755	S	S	*	*			cis	-148.5	146.8	5.5	94.8	0	0	0	0	110.2
273	E	29	Very low	27.4	Very low	169 Å²	169	125.9 Å²	125.9	79%	0.79	76%	0.764	S	S	*	*			trans	25.9	151.4	147.5	-62.6	170.4	147.6	0	0	123
274	E	27.2	Very low	27.4	Very low	132 Å²	132	127.7 Å²	127.7	62%	0.617	77%	0.77	S	S	*	*			cis	-154.4	135.7	-10.5	-100.3	-107.1	129.8	0	0	105.6
275	R	28.3	Very low	27.4	Very low	216 Å²	216	131.7 Å²	131.7	82%	0.815	78%	0.776	S	S	*	*				65.8	138.1	74.5	-161.2	-171.7	-172.8	-169	2.5	113.8
276	G	27.1	Very low	27.4	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	77%	0.773	S	S	*	*			cis	-152.3	-164.8	-7.3	0	0	0	0	0	109
277	K	27.2	Very low	27.4	Very low	171 Å²	171	131.9 Å²	131.9	74%	0.743	77%	0.766	S	S	*	*			cis	-157.2	156.9	14.2	-69.1	165.2	124.2	-117.5	0	110.7
278	E	25.6	Very low	27.5	Very low	166 Å²	166	134 Å²	134	78%	0.776	76%	0.764	S	S	*	*			trans	61.2	155	142.9	-67.5	161.3	136.5	0	0	121.4
279	G	23.1	Very low	27.4	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	75%	0.745	S	S	*	*			trans	-97.8	-153.1	-175.7	0	0	0	0	0	114.3
280	P	31.7	Very low	27.2	Very low	130 Å²	130	132.1 Å²	132.1	84%	0.844	75%	0.745	S	S	*	*			cis	-130.4	-175.2	28.7	40.8	-23.8	0	0	0	115.8
281	G	24	Very low	27	Very low	77 Å²	77	130.7 Å²	130.7	79%	0.794	75%	0.745	S	S	*	*			trans	-82.5	163.9	-172.5	0	0	0	0	0	117
282	T	26.6	Very low	26.9	Very low	134 Å²	134	127.6 Å²	127.6	82%	0.822	75%	0.75	S	S	*	*			trans	-109.6	141.6	-172.6	53.5	0	0	0	0	113.9
283	P	26.9	Very low	26.7	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	76%	0.764	S	S	*	*			trans	-84.2	140.9	-178.7	32.6	-34.8	0	0	0	113.5	R285	P283-R285 PolarHBondContact O-N 3.19Å; P283-R285 VanDerWaalsContact O-N 3.17Å
284	T	26.9	Very low	26.6	Very low	146 Å²	146	134.5 Å²	134.5	90%	0.896	77%	0.765	S	S	*	*			trans	-77.5	98.5	178.1	36.8	0	0	0	0	112.6	S286	T284-S286 PolarHBondContact O-N 3.31Å
285	R	25.8	Very low	26.5	Very low	232 Å²	232	135.7 Å²	135.7	88%	0.875	77%	0.774	S	S	*	*			trans	-78.1	109.6	178.5	-171.2	176	-178.2	179.1	0.3	111.9	P283 S287	P283-R285 PolarHBondContact O-N 3.19Å; P283-R285 VanDerWaalsContact O-N 3.17Å; R285-S287 PolarHBondContact O-N 2.87Å
286	S	26.3	Very low	26.4	Very low	112 Å²	112	134 Å²	134	78%	0.783	78%	0.776	S	S	*	*			trans	-81.8	99.7	173.3	38.5	0	0	0	0	111.6	T284 V288	T284-S286 PolarHBondContact O-N 3.31Å; S286-V288 PolarHBondContact O-N 3.11Å
287	S	26	Very low	26.2	Very low	86 Å²	86	142 Å²	142	60%	0.601	79%	0.786	S	S	*	*			trans	-69.9	111.3	-179.3	-57.1	0	0	0	0	113	R285	R285-S287 PolarHBondContact O-N 2.87Å
288	V	27.6	Very low	26	Very low	116 Å²	116	137.4 Å²	137.4	70%	0.703	79%	0.787	S	S	*	*			trans	-74.3	129.8	153.1	177.6	0	0	0	0	107.4	S286	S286-V288 PolarHBondContact O-N 3.11Å
289	I	25.4	Very low	26	Very low	104 Å²	104	139.2 Å²	139.2	53%	0.533	79%	0.787	S	S	.	*			trans	-99	104.8	179.1	-65.2	142.1	0	0	0	108.5	L642	I289-L642 HydrophobicContact CD1-CD1 3.56Å; I289-L642 HydrophobicContact CG1-CD1 4.36Å; I289-L642 HydrophobicContact CG2-CD1 4.4Å
290	T	26.4	Very low	26	Very low	116 Å²	116	141.3 Å²	141.3	71%	0.712	78%	0.777	S	S	*	*			trans	-98.4	135.9	159	44.4	0	0	0	0	108
291	S	26	Very low	25.7	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	78%	0.78	S	S	*	*			trans	-131	92.2	169.2	-56.7	0	0	0	0	104.7
292	A	27.7	Very low	25.6	Very low	98 Å²	98	145.9 Å²	145.9	81%	0.81	78%	0.778	S	S	*	*				91.8	124.6	66.9	0	0	0	0	0	110.3
293	R	25.2	Very low	25.6	Very low	244 Å²	244	143.6 Å²	143.6	92%	0.921	77%	0.773	S	S	*	*			trans	-125.6	122.6	177.8	-168.2	-179	-164.1	168.8	3.9	104.6
294	E	27.9	Very low	25.5	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	77%	0.771	S	S	*	*			trans	-85.4	141.8	-166.6	-66.8	170.9	144.4	0	0	111.6
295	L	23.9	Very low	25.5	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	76%	0.764	S	S	*	*			trans	-138.9	149.1	162.5	-78.4	179.2	0	0	0	109.4
296	H	26.3	Very low	25.4	Very low	181 Å²	181	142.9 Å²	142.9	84%	0.838	76%	0.763	S	S	*	*			trans	-50.7	143.9	-166.1	-53.3	-86.9	0	0	0	116.2
297	Y	24.5	Very low	26.1	Very low	236 Å²	236	142.5 Å²	142.5	93%	0.925	76%	0.758	S	S	*	*			trans	-88.2	151.4	161.8	-110.3	-96.3	0	0	0	111.2
298	G	22.2	Very low	27.1	Very low	74 Å²	74	143.9 Å²	143.9	76%	0.763	76%	0.764	S	S	*	*			trans	-157.8	104.7	169.6	0	0	0	0	0	111.6
299	R	24.5	Very low	27.8	Very low	204 Å²	204	143.8 Å²	143.8	77%	0.77	77%	0.766	S	S	*	*			trans	-175.4	145.1	174.8	-112.5	-167.1	151.2	-155.8	-20	107
300	E	24.9	Very low	27.8	Very low	120 Å²	120	143.1 Å²	143.1	56%	0.561	78%	0.776	S	S	*	*			cis	-162.7	161.9	-7.6	-149.6	162.9	-134	0	0	107.8
301	E	23.8	Very low	27.7	Very low	195 Å²	195	146.6 Å²	146.6	91%	0.911	78%	0.784	S	S	*	*			trans	-131.7	161.8	154.8	-78.2	-159.9	111.3	0	0	109.4
302	S	23.2	Very low	27.8	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	79%	0.789	S	S	*	*			trans	-152.9	126.5	-170.9	-64.9	0	0	0	0	112.8
303	A	26.6	Very low	27.7	Very low	86 Å²	86	145 Å²	145	71%	0.711	78%	0.784	S	S	*	*			trans	-178	129.1	145.6	0	0	0	0	0	111.7
304	E	25	Very low	27.7	Very low	166 Å²	166	143.2 Å²	143.2	78%	0.776	79%	0.787	S	S	*	*			trans	59.2	152.3	145.8	-61.9	-167.9	88.7	0	0	120
305	Q	25.4	Very low	27.6	Very low	158 Å²	158	139.3 Å²	139.3	74%	0.738	78%	0.784	S	S	*	*			cis	-138.5	173.4	1.8	-105.1	125	19.9	0	0	110.9
306	L	23.7	Very low	28.4	Very low	163 Å²	163	137 Å²	137	85%	0.853	78%	0.779	S	S	*	*			trans	-102.8	179.3	176.5	-89.3	86.4	0	0	0	111.5
307	P	41.1	Very low	28.5	Very low	104 Å²	104	135 Å²	135	68%	0.675	78%	0.779	S	S	*	*			cis	-133.4	-138.2	-44	40.2	-20	0	0	0	108.4
308	P	46.7	Very low	28.5	Very low	114 Å²	114	127.8 Å²	127.8	74%	0.74	78%	0.776	S	S	*	*			cis	-125.2	-143.6	-24	32.3	-7	0	0	0	111.7
309	P	43.7	Very low	28.6	Very low	114 Å²	114	134 Å²	134	74%	0.74	78%	0.777	S	S	*	*				-130.1	-167.9	-89.4	43.8	-27.1	0	0	0	115.5
310	A	25.5	Very low	29.3	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	77%	0.771	S	S	*	*			trans	76.5	149.9	158.6	0	0	0	0	0	117.6
311	E	24.8	Very low	29.3	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	77%	0.772	S	S	*	*			cis	-154.2	-167.3	-18.2	-122.6	-168.5	161.8	0	0	110.9
312	A	26.3	Very low	29.5	Very low	100 Å²	100	128.3 Å²	128.3	83%	0.826	77%	0.767	S	S	*	*			trans	-26.8	158.5	176.3	0	0	0	0	0	119.9
313	G	26.2	Very low	30.3	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	77%	0.772	S	S	*	*			cis	151.9	166.6	-1.3	0	0	0	0	0	113.3
314	Q	26	Very low	30.1	Very low	207 Å²	207	129.9 Å²	129.9	97%	0.967	78%	0.775	S	S	*	*			trans	63.6	152.2	166	-60.3	-173.2	8.5	0	0	120.7
315	A	24.6	Very low	31.3	Very low	91 Å²	91	127.6 Å²	127.6	75%	0.752	78%	0.775	S	S	*	*			trans	-83	-169.2	-176.9	0	0	0	0	0	111.6
316	P	41.8	Very low	32.8	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	78%	0.776	S	S	*	*			cis	-151.3	171.8	32.8	45.1	-23.1	0	0	0	120.6
317	T	27.9	Very low	34.1	Very low	139 Å²	139	123 Å²	123	85%	0.853	77%	0.768	S	S	*	*			trans	15.7	136.9	148.4	60.3	0	0	0	0	123.3
318	G	24.3	Very low	33.3	Very low	83 Å²	83	124.7 Å²	124.7	86%	0.856	77%	0.767	S	S	*	*			trans	-164	137.9	156.2	0	0	0	0	0	115
319	R	25.3	Very low	32.4	Very low	206 Å²	206	126.8 Å²	126.8	78%	0.777	77%	0.765	S	S	*	*			trans	-138.3	174.3	173	-133.3	-170.6	164	-123.6	-12.6	105.9	E321	R319-E321 IonicContact CZ-OE1 3.68Å; R319-E321 IonicContact NH1-OE1 3.73Å; R319-E321 PolarHBondContact NH1-OE1 3.27Å; R319-E321 IonicContact NH2-OE1 3.69Å; R319-E321 PolarHBondContact NH2-OE1 2.85Å
320	P	38.9	Very low	31.5	Very low	101 Å²	101	129.1 Å²	129.1	66%	0.656	77%	0.765	S	S	*	*			cis	-143.8	171	3.3	42	-21	0	0	0	119.5
321	E	25.1	Very low	31.6	Very low	123 Å²	123	132.2 Å²	132.2	58%	0.575	77%	0.769	S	S	*	*			trans	57.4	116.3	137.9	-70.1	166.4	-175.7	0	0	126.2	R319	R319-E321 IonicContact CZ-OE1 3.68Å; R319-E321 IonicContact NH1-OE1 3.73Å; R319-E321 PolarHBondContact NH1-OE1 3.27Å; R319-E321 IonicContact NH2-OE1 3.69Å; R319-E321 PolarHBondContact NH2-OE1 2.85Å
322	H	28.5	Very low	31.5	Very low	175 Å²	175	126.5 Å²	126.5	81%	0.81	76%	0.76	S	S	*	*			trans	63.8	166.3	138.7	-70.3	-61.8	0	0	0	122.2
323	P	39.3	Very low	31.4	Very low	131 Å²	131	129 Å²	129	85%	0.851	76%	0.758	S	S	*	*			cis	-120.2	-142.5	-0.4	40	-21.6	0	0	0	115.2
324	A	22.6	Very low	31.3	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	77%	0.765	S	S	*	*			trans	-134.9	-138.2	-156.5	0	0	0	0	0	119.5
325	P	50.3	Low	31.2	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	75%	0.754	S	S	*	*				-109.3	-159.6	-127.1	41.9	-23.3	0	0	0	114.2
326	P	56.6	Low	31.2	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	76%	0.76	S	S	*	*			cis	-129.3	-126.5	5.1	29.6	-0.4	0	0	0	112.1
327	P	50.3	Low	30.4	Very low	106 Å²	106	135.7 Å²	135.7	69%	0.688	76%	0.763	S	S	*	*			cis	-143.2	-161.2	-18.4	36.8	-11.1	0	0	0	117.8
328	E	25.6	Very low	30.8	Very low	140 Å²	140	134.1 Å²	134.1	65%	0.654	76%	0.755	S	S	*	*			trans	88.6	98.9	152.5	-58.9	-91.9	98	0	0	125.3
329	K	26.4	Very low	30.8	Very low	159 Å²	159	136 Å²	136	69%	0.691	75%	0.746	S	S	*	*				56.2	131.8	120.9	-64	175.1	-173.6	144.4	0	127.6
330	H	25.6	Very low	31.1	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.755	74%	0.743	S	S	*	*				107.7	118.4	123.3	-98.8	-130.1	0	0	0	126.5
331	L	26.6	Very low	30.4	Very low	155 Å²	155	138.1 Å²	138.1	81%	0.812	75%	0.752	S	S	*	*			trans	67.3	129.9	137.8	-78.1	178.5	0	0	0	127.2
332	G	24.5	Very low	30.5	Very low	69 Å²	69	136 Å²	136	71%	0.711	76%	0.756	S	S	*	*			trans	108	159.7	139.7	0	0	0	0	0	118.9
333	I	24	Very low	30.4	Very low	152 Å²	152	134.6 Å²	134.6	78%	0.779	76%	0.755	S	S	*	*			cis	-165.8	145	-37.2	-123.6	174.3	0	0	0	111.2
334	Y	23.9	Very low	29.9	Very low	218 Å²	218	132.3 Å²	132.3	86%	0.855	75%	0.746	S	S	*	*			trans	70.8	142.3	161.6	-88.1	-117.3	0	0	0	125.2
335	S	24	Very low	30.2	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	75%	0.746	S	S	*	*			trans	-84.8	172.6	-171.8	-32.8	0	0	0	0	117.3
336	V	24.4	Very low	29.1	Very low	147 Å²	147	135 Å²	135	89%	0.891	75%	0.745	S	S	*	*				176.4	153.8	114.1	152.5	0	0	0	0	112.1
337	L	25.2	Very low	27.5	Very low	148 Å²	148	134 Å²	134	78%	0.775	74%	0.741	S	S	*	*			trans	-102.8	178.9	-177.5	-155.3	81.2	0	0	0	112.4
338	P	35.3	Very low	26.5	Very low	106 Å²	106	137.4 Å²	137.4	69%	0.688	75%	0.75	S	S	*	*				-154.7	149	103.4	38.7	-20.6	0	0	0	119.1
339	N	25.2	Very low	27.8	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	75%	0.75	S	S	*	*			trans	64.4	147.2	135.2	-66.4	2.2	0	0	0	122.5
340	H	32.2	Very low	28	Very low	158 Å²	158	133.2 Å²	133.2	73%	0.731	75%	0.753	S	S	*	*			cis	-165	176.5	-10.6	-124	-35	0	0	0	113.5
341	K	22.6	Very low	28.1	Very low	194 Å²	194	131 Å²	131	84%	0.843	76%	0.756	S	S	*	*			trans	79.4	103.3	176.2	-56.6	-168.8	176.7	-173.7	0	115.1
342	A	28	Very low	28.1	Very low	78 Å²	78	130.1 Å²	130.1	65%	0.645	76%	0.757	S	S	*	*			cis	76.4	140.2	28.3	0	0	0	0	0	113.8
343	D	26.6	Very low	28	Very low	147 Å²	147	132.9 Å²	132.9	79%	0.786	76%	0.76	S	S	*	*			cis	-134.8	146.2	13.5	-87.3	-64.4	0	0	0	111.2
344	A	28.8	Very low	28.2	Very low	82 Å²	82	131.6 Å²	131.6	68%	0.678	76%	0.764	S	S	*	*				79.5	155.7	63.9	0	0	0	0	0	112.9
345	V	29.1	Very low	28.2	Very low	128 Å²	128	124.5 Å²	124.5	78%	0.776	76%	0.758	S	S	*	*			cis	-158.6	154.9	32.7	160.9	0	0	0	0	107.4
346	L	26.3	Very low	28.2	Very low	142 Å²	142	128.3 Å²	128.3	74%	0.743	77%	0.769	S	S	*	*			cis	-161.5	140.5	-24.5	-91.8	178	0	0	0	105.3
347	S	23.3	Very low	28.1	Very low	96 Å²	96	129.2 Å²	129.2	67%	0.671	76%	0.763	S	S	*	*				61	128.6	90.6	-44.7	0	0	0	0	115.8
348	M	29.6	Very low	28.1	Very low	178 Å²	178	128.2 Å²	128.2	88%	0.877	76%	0.763	S	S	*	*			cis	62.9	153.8	36.7	-68.7	-70.4	-172.2	0	0	114.6
349	P	51.9	Low	27.7	Very low	102 Å²	102	131.5 Å²	131.5	66%	0.662	77%	0.769	S	S	*	*			cis	-143.8	-176.6	-25	37.5	-16.7	0	0	0	116
350	S	32	Very low	28.9	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	77%	0.774	S	S	*	*			trans	30.5	132.9	141.7	67.6	0	0	0	0	125.1
351	S	26.5	Very low	28.5	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	77%	0.771	S	S	*	*			trans	-171.6	166.1	133.1	48.9	0	0	0	0	108.5
352	V	26.5	Very low	28.7	Very low	137 Å²	137	126.7 Å²	126.7	83%	0.83	78%	0.775	S	S	*	*			cis	-143.2	-178	25.1	-72.2	0	0	0	0	112.7
353	T	23	Very low	28.5	Very low	127 Å²	127	127.3 Å²	127.3	78%	0.779	78%	0.78	S	S	*	*			trans	-123.6	155	-177.9	52.3	0	0	0	0	113.7
354	S	27.1	Very low	28.4	Very low	124 Å²	124	127.6 Å²	127.6	87%	0.867	79%	0.787	S	S	*	*			trans	70.7	143.4	167.3	-49.7	0	0	0	0	116.8
355	G	25.5	Very low	28.3	Very low	70 Å²	70	128 Å²	128	72%	0.722	78%	0.784	S	S	*	*			cis	133.8	116.1	-6.2	0	0	0	0	0	112.9
356	L	22.7	Very low	28	Very low	184 Å²	184	130.4 Å²	130.4	96%	0.963	79%	0.79	S	S	*	*			trans	-165.9	-176.6	167.3	-112.8	168	0	0	0	112.2
357	H	23.8	Very low	27.9	Very low	165 Å²	165	129.5 Å²	129.5	76%	0.764	79%	0.785	S	S	*	*			trans	-131.3	167	-149.4	-169.4	-58.4	0	0	0	113.6
358	V	24.1	Very low	27.9	Very low	127 Å²	127	133.7 Å²	133.7	77%	0.77	79%	0.792	S	S	*	*			trans	99.4	138	161.8	-166.2	0	0	0	0	116.5
359	Q	26.9	Very low	27.8	Very low	176 Å²	176	129.8 Å²	129.8	82%	0.822	78%	0.782	S	S	*	*			trans	-106.6	-157	177.1	-64	-164.4	-19.6	0	0	109.8
360	P	50.1	Low	26.8	Very low	114 Å²	114	131.1 Å²	131.1	74%	0.74	79%	0.788	S	S	*	*			cis	-140.7	-173.4	-7.7	41.8	-21.4	0	0	0	117.2
361	A	25.2	Very low	26.4	Very low	82 Å²	82	136.7 Å²	136.7	68%	0.678	80%	0.795	S	S	*	*			trans	111.8	112.6	142.1	0	0	0	0	0	121.2
362	L	26.9	Very low	26.3	Very low	176 Å²	176	134.8 Å²	134.8	92%	0.921	79%	0.793	S	S	*	*			trans	52.2	121.1	130.1	-55.9	176.1	0	0	0	123.1
363	A	23.6	Very low	26.1	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	79%	0.79	S	S	*	*				179	115.1	125.5	0	0	0	0	0	110
364	V	23.3	Very low	26.3	Very low	153 Å²	153	134 Å²	134	93%	0.927	80%	0.796	S	S	*	*				86.8	146.6	86.6	170.5	0	0	0	0	114.3
365	S	26.7	Very low	26.1	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	80%	0.796	S	S	*	*			trans	-103.5	173.7	-161.9	56.2	0	0	0	0	115.8
366	M	22.9	Very low	27	Very low	180 Å²	180	137.6 Å²	137.6	89%	0.887	79%	0.794	S	S	*	*			trans	-146.7	153.2	146.2	-82.5	-153.3	72.1	0	0	110.7
367	D	24.7	Very low	27.3	Very low	123 Å²	123	138.5 Å²	138.5	66%	0.658	79%	0.793	S	S	*	*			trans	-140.9	-179	-171	-72.2	-66.7	0	0	0	112.2
368	F	23.8	Very low	27.5	Very low	183 Å²	183	133.5 Å²	133.5	80%	0.803	79%	0.786	S	S	*	*			trans	81.4	90.6	157.9	-78.4	-83.7	0	0	0	122.4
369	S	26.1	Very low	27.5	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	79%	0.791	S	S	*	*				63.8	132.9	105.6	-56.2	0	0	0	0	124.5
370	T	31	Very low	27.6	Very low	130 Å²	130	135.3 Å²	135.3	80%	0.798	79%	0.787	S	S	*	*			trans	-177.1	149.2	134.4	15.5	0	0	0	0	107.7
371	Y	24.1	Very low	26.6	Very low	226 Å²	226	137.2 Å²	137.2	89%	0.886	79%	0.786	S	S	*	*			cis	-110.9	174.5	-3.2	-81.5	-112.8	0	0	0	109
372	G	23.7	Very low	26.7	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	79%	0.788	S	S	*	*			cis	95.2	120.1	23.5	0	0	0	0	0	111.3
373	G	23.9	Very low	26.9	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	78%	0.775	S	S	*	*			cis	162.6	150.7	-8.5	0	0	0	0	0	111.4
374	L	26.1	Very low	27.2	Very low	175 Å²	175	142.3 Å²	142.3	92%	0.916	77%	0.771	S	S	*	*			trans	-171.1	139.4	161.8	-105.2	171.6	0	0	0	110.9
375	L	23.6	Very low	27.4	Very low	163 Å²	163	142.7 Å²	142.7	85%	0.853	76%	0.76	S	S	*	*			trans	-172.8	-175.9	-168.6	-94.4	-177.8	0	0	0	107.9
376	P	44.9	Very low	27.6	Very low	106 Å²	106	144.5 Å²	144.5	69%	0.688	77%	0.772	S	S	*	*			cis	-136.1	171.9	-31.4	36.8	-20.8	0	0	0	114.4
377	Q	27.3	Very low	27.8	Very low	202 Å²	202	143.2 Å²	143.2	94%	0.944	76%	0.762	S	S	*	*			trans	-176.5	147.1	142.4	-109.8	173.5	-27.8	0	0	110
378	G	27.7	Very low	28.1	Very low	60 Å²	60	143.9 Å²	143.9	62%	0.619	77%	0.765	S	S	*	*			cis	-152.2	156.9	-7.7	0	0	0	0	0	110.2
379	F	24.8	Very low	28.3	Very low	198 Å²	198	138.8 Å²	138.8	87%	0.868	76%	0.764	S	S	*	*				52.2	122.7	93.4	-78.8	-115.6	0	0	0	112.9
380	I	28.2	Very low	28.3	Very low	143 Å²	143	142.3 Å²	142.3	73%	0.733	77%	0.77	S	S	*	*			cis	-155.1	160.7	17.7	-99.5	161.3	0	0	0	106.7
381	Q	29.9	Very low	28.1	Very low	155 Å²	155	144.1 Å²	144.1	72%	0.724	77%	0.774	S	S	*	*			cis	-122.7	-164.8	6	-138.3	166.2	-102.2	0	0	107.7
382	R	27.3	Very low	28.2	Very low	191 Å²	191	137.6 Å²	137.6	72%	0.721	77%	0.767	S	S	*	*			cis	73.5	101.6	11.1	-85.9	-173.3	94.4	155.4	11.3	120.1
383	E	31.7	Very low	28.5	Very low	140 Å²	140	141 Å²	141	65%	0.654	77%	0.772	S	S	*	*				59.5	85.2	116.6	-166	178.2	-155.3	0	0	117.7
384	L	28.5	Very low	28.6	Very low	125 Å²	125	140.2 Å²	140.2	65%	0.654	76%	0.763	S	S	*	*	S	Bend	trans	-144.2	-37.3	163.3	-150.8	69.7	0	0	0	116
385	F	29.1	Very low	28.6	Very low	160 Å²	160	140.8 Å²	140.8	70%	0.702	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-105.2	4.7	-173.6	-85.6	-84.1	0	0	0	117.4	K387 L388	F385-K387 PolarHBondContact O-N 2.87Å; F385-L388 HydrophobicContact CD1-CB 4.47Å; F385-L388 HydrophobicContact CD1-CD1 4.3Å; F385-L388 HydrophobicContact CE1-CB 4.48Å; F385-L388 HydrophobicContact CE1-CD1 3.6Å; F385-L388 HydrophobicContact CZ-CD1 4.11Å
386	S	29.5	Very low	28.8	Very low	128 Å²	128	142.6 Å²	142.6	90%	0.895	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-80.1	12.6	157.7	-52.9	0	0	0	0	112.7
387	K	28.6	Very low	28.2	Very low	153 Å²	153	141.9 Å²	141.9	67%	0.665	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-133.5	21.7	-176.1	-90.5	-67.1	174	-160.9	0	116	F385	F385-K387 PolarHBondContact O-N 2.87Å
388	L	29.5	Very low	28.4	Very low	138 Å²	138	140.5 Å²	140.5	72%	0.723	76%	0.756	S	S	*	*	S	Bend	trans	-124	91.4	162.1	-83.7	168.3	0	0	0	109.7	F385	F385-L388 HydrophobicContact CD1-CB 4.47Å; F385-L388 HydrophobicContact CD1-CD1 4.3Å; F385-L388 HydrophobicContact CE1-CB 4.48Å; F385-L388 HydrophobicContact CE1-CD1 3.6Å; F385-L388 HydrophobicContact CZ-CD1 4.11Å
389	G	27.8	Very low	28.3	Very low	76 Å²	76	142.8 Å²	142.8	78%	0.784	76%	0.762	S	S	*	*	S	Bend	trans	173.7	-49.7	-179.5	0	0	0	0	0	112.3	L391	G389-L391 PolarHBondContact O-N 3.37Å
390	E	27.1	Very low	29.4	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	77%	0.765	S	S	*	*			trans	-87.9	90	170.7	-73.3	-170.2	167.1	0	0	111.6
391	L	27.6	Very low	29.7	Very low	169 Å²	169	143.9 Å²	143.9	89%	0.885	77%	0.765	S	S	*	*			trans	-140.6	38.9	164.1	-132	178.8	0	0	0	113.3	G389	G389-L391 PolarHBondContact O-N 3.37Å
392	A	25.7	Very low	30.5	Very low	89 Å²	89	143.8 Å²	143.8	74%	0.736	77%	0.768	S	S	*	*	S	Bend	trans	-157.3	107.7	162.5	0	0	0	0	0	111.9
393	V	29.2	Very low	31.4	Very low	147 Å²	147	136.4 Å²	136.4	89%	0.891	75%	0.751	S	S	*	*			trans	47	125.5	149.8	-168.2	0	0	0	0	118.5
394	G	26.7	Very low	32.6	Very low	57 Å²	57	134.5 Å²	134.5	59%	0.588	74%	0.742	S	S	*	*			cis	116.4	99.6	8.7	0	0	0	0	0	112.8
395	M	26.8	Very low	33.9	Very low	187 Å²	187	134 Å²	134	92%	0.921	74%	0.736	S	S	*	*			trans	69.7	129.9	176.1	-41.7	-178.2	82.1	0	0	114.3
396	K	26.3	Very low	35.3	Very low	201 Å²	201	126.6 Å²	126.6	87%	0.874	70%	0.704	S	S	*	*			cis	-141.5	174.5	38.6	-75.7	180	174.3	179.4	0	114.7
397	S	33.8	Very low	36.6	Very low	92 Å²	92	126 Å²	126	64%	0.643	70%	0.7	S	S	*	*			trans	-84.9	-177.2	178.9	47	0	0	0	0	114.6
398	E	29.7	Very low	37.8	Very low	173 Å²	173	123 Å²	123	81%	0.808	70%	0.695	S	S	*	*			trans	75.8	107.4	164.9	-62	156.3	-140.5	0	0	115.5
399	S	27.2	Very low	38.9	Very low	107 Å²	107	119 Å²	119	75%	0.748	68%	0.678	S	S	*	*				-171.2	162.7	60.8	-70.7	0	0	0	0	112.2	T401	S399-T401 PolarHBondContact O-N 3.32Å
400	R	48.3	Very low	40.1	Very low	248 Å²	248	117.5 Å²	117.5	94%	0.936	66%	0.662	S	S	*	*			trans	-77.9	106.6	163.5	-73.8	176.6	173.3	162.5	-3.9	109.5
401	T	33.8	Very low	41.6	Very low	117 Å²	117	112.7 Å²	112.7	72%	0.718	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-79.3	126.6	161.7	41.6	0	0	0	0	109.4	S399	S399-T401 PolarHBondContact O-N 3.32Å
402	I	46.8	Very low	42.7	Very low	153 Å²	153	110.9 Å²	110.9	79%	0.785	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-79.8	119	166.9	-63.3	170.3	0	0	0	105.6	E404	I402-E404 PolarHBondContact O-N 3.44Å
403	G	45.3	Very low	44.7	Very low	36 Å²	36	108.5 Å²	108.5	37%	0.371	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-64.4	123.4	175.8	0	0	0	0	0	110.1
404	E	56.7	Low	45.6	Very low	100 Å²	100	105.8 Å²	105.8	47%	0.467	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.3	133	179	-70.7	-168.6	140.8	0	0	110.8	I402 N416 V419	I402-E404 PolarHBondContact O-N 3.44Å; E404-N416 PolarHBondContact OE2-ND2 3.48Å; E404-V419 HydrophobicContact CB-CG2 4.24Å; E404-V419 VanDerWaalsContact O-CG2 3.32Å; E404-V419 WeakPolarHBondContact O-CG2 3.25Å
405	Q	55.7	Low	47.4	Very low	115 Å²	115	107.9 Å²	107.9	54%	0.537	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	137.2	179.5	-73.2	177.3	5.5	0	0	111.2	S407 E412	Q405-S407 PolarHBondContact O-N 3.31Å; Q405-S407 VanDerWaalsContact O-N 3.15Å; Q405-E412 HydrophobicContact CG-CG 3.41Å; Q405-E412 VanDerWaalsContact CG-CG 3.41Å; Q405-E412 PolarHBondContact NE2-OE1 2.97Å
406	C	59.2	Low	48.9	Very low	3 Å²	3	104 Å²	104	2%	0.02	57%	0.571	C	S	.	*			trans	-64.8	114.3	170	176.6	0	0	0	0	110.7	V408 C409 G410 V411 H422 H426	C406-V408 PolarHBondContact O-N 3.37Å; C406-C409 PolarHBondContact O-N 3.5Å; C406-C409 VanDerWaalsContact O-N 3.11Å; C406-C409 PolarHBondContact SG-SG 2.95Å; C406-G410 PolarHBondContact O-N 3.38Å; C406-V411 PolarHBondContact N-O 3.22Å; C406-H422 PolarHBondContact SG-CD2 2.94Å; C406-H426 PolarHBondContact SG-NE2 3.38Å
407	S	56	Low	50.5	Low	116 Å²	116	100.8 Å²	100.8	81%	0.811	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-2.1	-176.4	60	0	0	0	0	116.1	Q405	Q405-S407 PolarHBondContact O-N 3.31Å; Q405-S407 VanDerWaalsContact O-N 3.15Å
408	V	54.8	Low	51.6	Low	91 Å²	91	97.9 Å²	97.9	55%	0.552	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-23.2	177.7	-173.1	0	0	0	0	112.4	C406	C406-V408 PolarHBondContact O-N 3.37Å
409	C	51.7	Low	53.2	Low	54 Å²	54	90.4 Å²	90.4	37%	0.365	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	-1.3	-173.2	67.4	0	0	0	0	115.8	C406 V411 H422 H426	C406-C409 PolarHBondContact O-N 3.5Å; C406-C409 VanDerWaalsContact O-N 3.11Å; C406-C409 PolarHBondContact SG-SG 2.95Å; C409-V411 PolarHBondContact O-N 3.31Å; C409-H422 PolarHBondContact SG-NE2 2.66Å; C409-H426 PolarHBondContact SG-NE2 3.08Å
410	G	54.7	Low	54.7	Low	44 Å²	44	88.2 Å²	88.2	45%	0.454	49%	0.485	S	S	.	.			trans	73.5	1.2	175.8	0	0	0	0	0	116.1	C406 E412	C406-G410 PolarHBondContact O-N 3.38Å; G410-E412 PolarHBondContact O-N 3Å
411	V	57.6	Low	55.2	Low	67 Å²	67	81.5 Å²	81.5	41%	0.406	47%	0.465	S	S	.	.			trans	-70.1	123.7	-179.9	179.6	0	0	0	0	110.3	C406 C409 L413	C406-V411 PolarHBondContact N-O 3.22Å; C409-V411 PolarHBondContact O-N 3.31Å; V411-L413 HydrophobicContact CG1-CD2 4.04Å; V411-L413 HydrophobicContact CG1-CG 4.19Å
412	E	50.2	Low	56.2	Low	131 Å²	131	77.8 Å²	77.8	61%	0.612	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	132	167.9	-70.6	-179.4	175.9	0	0	110.1	Q405 G410	Q405-E412 HydrophobicContact CG-CG 3.41Å; Q405-E412 VanDerWaalsContact CG-CG 3.41Å; Q405-E412 PolarHBondContact NE2-OE1 2.97Å; G410-E412 PolarHBondContact O-N 3Å
413	L	67.6	Low	56.7	Low	39 Å²	39	76.7 Å²	76.7	20%	0.204	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.9	176.4	-65.3	171.2	0	0	0	109.1	V411 D415 A418 V419 H422	V411-L413 HydrophobicContact CG1-CD2 4.04Å; V411-L413 HydrophobicContact CG1-CG 4.19Å; L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 2.9Å; L413-A418 HydrophobicContact CB-CB 4.38Å; L413-V419 HydrophobicContact CB-CG2 3.87Å; L413-V419 HydrophobicContact CD1-CG2 4.33Å; L413-H422 HydrophobicContact CD1-CB 3.59Å
414	P	49.5	Very low	57.4	Low	90 Å²	90	80 Å²	80	58%	0.584	43%	0.43	S	S	*	.	S	Bend	trans	-66.9	-31.9	-169.1	24.9	-34.5	0	0	0	113.8
415	D	63.7	Low	57	Low	101 Å²	101	81.4 Å²	81.4	54%	0.54	44%	0.439	S	S	.	.	S	Bend	trans	-129.6	141.5	-171	-55.3	-69.5	0	0	0	111.7	L413 E417 A418 V419	L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 2.9Å; D415-E417 PolarHBondContact O-N 3.32Å; D415-A418 HydrophobicContact CB-CB 4.25Å; D415-A418 WeakPolarHBondContact O-CA 3.36Å; D415-A418 WeakPolarHBondContact O-CB 3.24Å; D415-A418 PolarHBondContact O-N 3.22Å; D415-V419 PolarHBondContact O-N 3.11Å
416	N	58.7	Low	56.6	Low	105 Å²	105	80.9 Å²	80.9	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-57.2	-34	174.7	176.9	-84.3	0	0	0	112.2	E404 A418 V419 E420	E404-N416 PolarHBondContact OE2-ND2 3.48Å; N416-A418 PolarHBondContact O-N 3.03Å; N416-V419 WeakPolarHBondContact O-CB 3.41Å; N416-V419 PolarHBondContact O-N 3.13Å; N416-E420 WeakPolarHBondContact O-CB 3.46Å; N416-E420 PolarHBondContact O-N 2.73Å
417	E	60.1	Low	56.1	Low	134 Å²	134	83.8 Å²	83.8	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-67.5	-35.4	173.9	-173.1	170.9	174	0	0	112.2	D415 E420 Q421	D415-E417 PolarHBondContact O-N 3.32Å; E417-E420 PolarHBondContact O-N 3.47Å; E417-Q421 HydrophobicContact CG-CG 4.44Å; E417-Q421 WeakPolarHBondContact O-CB 3.44Å; E417-Q421 VanDerWaalsContact O-CG 3.29Å; E417-Q421 WeakPolarHBondContact O-CG 3.36Å; E417-Q421 PolarHBondContact O-N 3.42Å; E417-Q421 PolarHBondContact OE1-NE2 3.05Å
418	A	57.4	Low	55.7	Low	32 Å²	32	80.8 Å²	80.8	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	-38.2	172.7	0	0	0	0	0	111.4	L413 D415 N416 E420 Q421 H422	L413-A418 HydrophobicContact CB-CB 4.38Å; D415-A418 HydrophobicContact CB-CB 4.25Å; D415-A418 WeakPolarHBondContact O-CA 3.36Å; D415-A418 WeakPolarHBondContact O-CB 3.24Å; D415-A418 PolarHBondContact O-N 3.22Å; N416-A418 PolarHBondContact O-N 3.03Å; A418-E420 VanDerWaalsContact C-N 3.34Å; A418-Q421 PolarHBondContact O-N 3.19Å; A418-H422 VanDerWaalsContact O-CB 3.23Å; A418-H422 WeakPolarHBondContact O-CB 3.31Å; A418-H422 PolarHBondContact O-N 2.93Å
419	V	62.9	Low	55.2	Low	16 Å²	16	83.2 Å²	83.2	10%	0.097	45%	0.451	C	S	.	.	H	α-helix	trans	-60.2	-43.3	170.4	178.9	0	0	0	0	110.9	E404 L413 D415 N416 H422 R423	E404-V419 HydrophobicContact CB-CG2 4.24Å; E404-V419 VanDerWaalsContact O-CG2 3.32Å; E404-V419 WeakPolarHBondContact O-CG2 3.25Å; L413-V419 HydrophobicContact CB-CG2 3.87Å; L413-V419 HydrophobicContact CD1-CG2 4.33Å; D415-V419 PolarHBondContact O-N 3.11Å; N416-V419 WeakPolarHBondContact O-CB 3.41Å; N416-V419 PolarHBondContact O-N 3.13Å; V419-H422 CarbonylContact O-C 3.53Å; V419-H422 WeakPolarHBondContact O-CB 3.45Å; V419-H422 PolarHBondContact O-N 3.11Å; V419-R423 WeakPolarHBondContact O-CB 3.5Å; V419-R423 PolarHBondContact O-N 2.88Å
420	E	59.2	Low	55.1	Low	60 Å²	60	86.4 Å²	86.4	28%	0.28	46%	0.459	S	S	.	.	H	α-helix	trans	-74.2	-32.4	-178.6	-173.2	61.1	-173.4	0	0	112.9	N416 E417 A418 R423 K424	N416-E420 WeakPolarHBondContact O-CB 3.46Å; N416-E420 PolarHBondContact O-N 2.73Å; E417-E420 PolarHBondContact O-N 3.47Å; A418-E420 VanDerWaalsContact C-N 3.34Å; E420-R423 IonicContact OE1-CZ 3.86Å; E420-R423 IonicContact OE1-NE 3.61Å; E420-R423 IonicContact OE1-NH2 2.83Å; E420-R423 PolarHBondContact OE1-NH2 2.79Å; E420-R423 IonicContact OE2-CZ 2.82Å; E420-R423 IonicContact OE2-NE 3.81Å; E420-R423 PolarHBondContact OE2-NE 2.97Å; E420-R423 IonicContact OE2-NH2 2.88Å; E420-R423 PolarHBondContact OE2-NH2 2.99Å; E420-K424 VanDerWaalsContact O-CD 3.32Å; E420-K424 WeakPolarHBondContact O-CD 3.2Å; E420-K424 VanDerWaalsContact O-CG 3.27Å; E420-K424 WeakPolarHBondContact O-CG 3.47Å; E420-K424 PolarHBondContact O-N 3.1Å
421	Q	56.8	Low	55.2	Low	108 Å²	108	88.1 Å²	88.1	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-67.2	-40.7	168.1	-71.2	-179	28.2	0	0	111.4	E417 A418 K424	E417-Q421 HydrophobicContact CG-CG 4.44Å; E417-Q421 WeakPolarHBondContact O-CB 3.44Å; E417-Q421 VanDerWaalsContact O-CG 3.29Å; E417-Q421 WeakPolarHBondContact O-CG 3.36Å; E417-Q421 PolarHBondContact O-N 3.42Å; E417-Q421 PolarHBondContact OE1-NE2 3.05Å; A418-Q421 PolarHBondContact O-N 3.19Å; Q421-K424 WeakPolarHBondContact O-CB 3.4Å; Q421-K424 PolarHBondContact O-N 3.29Å
422	H	56.4	Low	55	Low	39 Å²	39	89.8 Å²	89.8	18%	0.181	46%	0.461	C	S	.	.	H	α-helix	trans	-64.4	-40.5	173.1	-177.1	109.3	0	0	0	111.7	C406 C409 L413 A418 V419 K424 L425 H426	C406-H422 PolarHBondContact SG-CD2 2.94Å; C409-H422 PolarHBondContact SG-NE2 2.66Å; L413-H422 HydrophobicContact CD1-CB 3.59Å; A418-H422 VanDerWaalsContact O-CB 3.23Å; A418-H422 WeakPolarHBondContact O-CB 3.31Å; A418-H422 PolarHBondContact O-N 2.93Å; V419-H422 CarbonylContact O-C 3.53Å; V419-H422 WeakPolarHBondContact O-CB 3.45Å; V419-H422 PolarHBondContact O-N 3.11Å; H422-K424 VanDerWaalsContact C-N 3.26Å; H422-K424 PolarHBondContact O-N 3.33Å; H422-L425 VanDerWaalsContact O-CB 3.27Å; H422-L425 WeakPolarHBondContact O-CB 3.33Å; H422-L425 PolarHBondContact O-N 2.83Å; H422-H426 AromaticContact CD2-CD2 3.67Å; H422-H426 AromaticContact CD2-NE2 2.66Å; H422-H426 PolarHBondContact CD2-NE2 3.4Å; H422-H426 AromaticContact CE1-NE2 3.22Å; H422-H426 PolarHBondContact CE1-NE2 3.15Å; H422-H426 AromaticContact CG-NE2 3.87Å; H422-H426 AromaticContact NE2-CD2 3.78Å; H422-H426 AromaticContact NE2-NE2 2.05Å; H422-H426 PolarHBondContact NE2-NE2 3.13Å; H422-H426 PolarHBondContact O-CD2 3.18Å
423	R	57.6	Low	54.9	Low	129 Å²	129	85.4 Å²	85.4	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-31.9	176.6	-164.1	167.7	70	134.5	3.2	112.2	V419 E420 L425 H426 S427	V419-R423 WeakPolarHBondContact O-CB 3.5Å; V419-R423 PolarHBondContact O-N 2.88Å; E420-R423 IonicContact OE1-CZ 3.86Å; E420-R423 IonicContact OE1-NE 3.61Å; E420-R423 IonicContact OE1-NH2 2.83Å; E420-R423 PolarHBondContact OE1-NH2 2.79Å; E420-R423 IonicContact OE2-CZ 2.82Å; E420-R423 IonicContact OE2-NE 3.81Å; E420-R423 PolarHBondContact OE2-NE 2.97Å; E420-R423 IonicContact OE2-NH2 2.88Å; E420-R423 PolarHBondContact OE2-NH2 2.99Å; R423-L425 VanDerWaalsContact C-N 3.28Å; R423-L425 PolarHBondContact O-N 3Å; R423-H426 PolarHBondContact O-N 2.83Å; R423-S427 PolarHBondContact O-N 3.42Å
424	K	58.3	Low	54.5	Low	107 Å²	107	83.7 Å²	83.7	47%	0.465	44%	0.442	S	S	.	.	H	α-helix	trans	-68.3	-20.1	172.2	-69.6	157.8	-169.3	159.3	0	113.7	E420 Q421 H422 S427	E420-K424 VanDerWaalsContact O-CD 3.32Å; E420-K424 WeakPolarHBondContact O-CD 3.2Å; E420-K424 VanDerWaalsContact O-CG 3.27Å; E420-K424 WeakPolarHBondContact O-CG 3.47Å; E420-K424 PolarHBondContact O-N 3.1Å; Q421-K424 WeakPolarHBondContact O-CB 3.4Å; Q421-K424 PolarHBondContact O-N 3.29Å; H422-K424 VanDerWaalsContact C-N 3.26Å; H422-K424 PolarHBondContact O-N 3.33Å; K424-S427 PolarHBondContact O-OG 2.96Å; K424-S427 VanDerWaalsContact O-OG 3.14Å
425	L	49.2	Very low	54.8	Low	129 Å²	129	88.7 Å²	88.7	68%	0.675	46%	0.457	S	S	*	.	H	α-helix	trans	-69.9	-37.2	170.3	-58.9	173.4	0	0	0	111.4	H422 R423 S427	H422-L425 VanDerWaalsContact O-CB 3.27Å; H422-L425 WeakPolarHBondContact O-CB 3.33Å; H422-L425 PolarHBondContact O-N 2.83Å; R423-L425 VanDerWaalsContact C-N 3.28Å; R423-L425 PolarHBondContact O-N 3Å; L425-S427 VanDerWaalsContact C-N 3.31Å; L425-S427 PolarHBondContact O-N 3.43Å
426	H	47.8	Very low	54.5	Low	104 Å²	104	89.4 Å²	89.4	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-72.9	-18.9	177.1	-64.8	-77.3	0	0	0	113.5	C406 C409 H422 R423	C406-H426 PolarHBondContact SG-NE2 3.38Å; C409-H426 PolarHBondContact SG-NE2 3.08Å; H422-H426 AromaticContact CD2-CD2 3.67Å; H422-H426 AromaticContact CD2-NE2 2.66Å; H422-H426 PolarHBondContact CD2-NE2 3.4Å; H422-H426 AromaticContact CE1-NE2 3.22Å; H422-H426 PolarHBondContact CE1-NE2 3.15Å; H422-H426 AromaticContact CG-NE2 3.87Å; H422-H426 AromaticContact NE2-CD2 3.78Å; H422-H426 AromaticContact NE2-NE2 2.05Å; H422-H426 PolarHBondContact NE2-NE2 3.13Å; H422-H426 PolarHBondContact O-CD2 3.18Å; R423-H426 PolarHBondContact O-N 2.83Å
427	S	48.3	Very low	54.4	Low	63 Å²	63	87 Å²	87	44%	0.441	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.8	-178.8	73.6	0	0	0	0	115.1	R423 K424 L425 M429	R423-S427 PolarHBondContact O-N 3.42Å; K424-S427 PolarHBondContact O-OG 2.96Å; K424-S427 VanDerWaalsContact O-OG 3.14Å; L425-S427 VanDerWaalsContact C-N 3.31Å; L425-S427 PolarHBondContact O-N 3.43Å; S427-M429 PolarHBondContact O-N 3.48Å; S427-M429 VanDerWaalsContact O-N 3.07Å
428	G	48.3	Very low	54	Low	54 Å²	54	83.4 Å²	83.4	56%	0.557	45%	0.45	S	S	*	.			trans	66.7	6.7	174.7	0	0	0	0	0	116.2	K430	G428-K430 PolarHBondContact O-N 3.23Å
429	M	43.2	Very low	53.6	Low	141 Å²	141	87.8 Å²	87.8	70%	0.695	46%	0.463	S	S	*	.			trans	-77.1	107.7	-174.8	-62.4	-170.6	78.6	0	0	111.8	S427 T431	S427-M429 PolarHBondContact O-N 3.48Å; S427-M429 VanDerWaalsContact O-N 3.07Å; M429-T431 PolarHBondContact O-N 2.88Å
430	K	50.4	Low	52.8	Low	122 Å²	122	94.3 Å²	94.3	53%	0.53	49%	0.486	S	S	.	.			trans	-71.9	93.4	177.7	-61.5	172.5	-178.1	175.7	0	110.8	G428 R440 F441 L442	G428-K430 PolarHBondContact O-N 3.23Å; K430-R440 HydrophobicContact CB-CB 3.66Å; K430-R440 HydrophobicContact CD-CB 4.35Å; K430-R440 VanDerWaalsContact O-CZ 3.29Å; K430-R440 PolarHBondContact O-NE 3.03Å; K430-R440 PolarHBondContact O-NH2 3.43Å; K430-F441 CarbonylContact C-O 3.5Å; K430-L442 HydrophobicContact CG-CD2 4.05Å
431	T	55.2	Low	53	Low	80 Å²	80	93.7 Å²	93.7	49%	0.491	48%	0.482	S	S	.	.			trans	-70.8	-41.6	-171.5	41.8	0	0	0	0	114.2	M429 F441	M429-T431 PolarHBondContact O-N 2.88Å; T431-F441 PolarHBondContact N-O 3.29Å
432	Y	54.1	Low	52.4	Low	102 Å²	102	93.2 Å²	93.2	40%	0.4	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	103.9	-167.8	-66.6	-78.8	0	0	0	112.7	R440 F441 L447	Y432-R440 CarbonylContact O-C 3.55Å; Y432-R440 WeakPolarHBondContact O-CA 3.42Å; Y432-F441 PolarHBondContact N-O 3.19Å; Y432-F441 VanDerWaalsContact N-O 3.1Å; Y432-F441 PolarHBondContact O-N 3.06Å; Y432-L447 HydrophobicContact CD1-CD2 4.44Å
433	G	48.4	Very low	52.2	Low	38 Å²	38	93.2 Å²	93.2	39%	0.392	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.6	178	0	0	0	0	0	114	L447	G433-L447 WeakPolarHBondContact O-CD2 3.21Å
434	C	58.1	Low	51.8	Low	3 Å²	3	89.8 Å²	89.8	2%	0.02	48%	0.48	C	S	.	.			trans	-95.1	115.4	165.5	-179.2	0	0	0	0	110.2	L436 C437 G438 K439 F441 L447 H450	C434-L436 PolarHBondContact O-N 2.89Å; C434-C437 PolarHBondContact O-N 3.41Å; C434-G438 VanDerWaalsContact O-CA 3.32Å; C434-G438 WeakPolarHBondContact O-CA 3.33Å; C434-G438 PolarHBondContact O-N 3Å; C434-K439 WeakPolarHBondContact CB-O 3.42Å; C434-K439 PolarHBondContact N-O 3.2Å; C434-F441 HydrophobicContact CB-CE2 4.18Å; C434-L447 HydrophobicContact CB-CD1 3.74Å; C434-H450 VanDerWaalsContact CB-CD2 3.48Å; C434-H450 WeakPolarHBondContact CB-CD2 3.47Å; C434-H450 WeakPolarHBondContact CB-NE2 3.37Å; C434-H450 VanDerWaalsContact SG-CD2 3.59Å; C434-H450 PolarHBondContact SG-NE2 3.34Å
435	E	57.3	Low	51.4	Low	195 Å²	195	89.6 Å²	89.6	91%	0.911	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.2	-178.6	-63	174.4	176.9	0	0	112.6
436	L	56.8	Low	51.6	Low	117 Å²	117	90.3 Å²	90.3	61%	0.613	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.3	-176.9	-57.2	176.8	0	0	0	114.6	C434 L451 H454	C434-L436 PolarHBondContact O-N 2.89Å; L436-L451 HydrophobicContact CD1-CD2 4.28Å; L436-H454 HydrophobicContact CD1-CB 3.6Å
437	C	56.8	Low	52	Low	53 Å²	53	86.6 Å²	86.6	36%	0.358	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	13.1	171.9	69.5	0	0	0	0	116	C434 K439 H450 H454	C434-C437 PolarHBondContact O-N 3.41Å; C437-K439 PolarHBondContact O-N 2.77Å; C437-K439 VanDerWaalsContact SG-CD 3.54Å; C437-K439 VanDerWaalsContact SG-CG 3.58Å; C437-H450 VanDerWaalsContact SG-CE1 3.54Å; C437-H450 PolarHBondContact SG-NE2 2.92Å; C437-H454 PolarHBondContact SG-NE2 2.97Å
438	G	51.3	Low	52	Low	59 Å²	59	91.1 Å²	91.1	61%	0.608	47%	0.468	S	S	*	.			trans	70.4	-3.7	177	0	0	0	0	0	116.1	C434 R440	C434-G438 VanDerWaalsContact O-CA 3.32Å; C434-G438 WeakPolarHBondContact O-CA 3.33Å; C434-G438 PolarHBondContact O-N 3Å; G438-R440 PolarHBondContact O-N 2.68Å
439	K	48.4	Very low	52.1	Low	124 Å²	124	94.4 Å²	94.4	54%	0.539	47%	0.471	S	S	.	.			trans	-65.4	133.5	179.3	-68.5	175.9	-169.3	167.4	0	110.4	C434 C437 F441	C434-K439 WeakPolarHBondContact CB-O 3.42Å; C434-K439 PolarHBondContact N-O 3.2Å; C437-K439 PolarHBondContact O-N 2.77Å; C437-K439 VanDerWaalsContact SG-CD 3.54Å; C437-K439 VanDerWaalsContact SG-CG 3.58Å; K439-F441 HydrophobicContact CB-CE2 3.57Å; K439-F441 HydrophobicContact CB-CZ 3.72Å; K439-F441 VanDerWaalsContact O-CE2 3.3Å; K439-F441 WeakPolarHBondContact O-CE2 3.47Å
440	R	47.7	Very low	52.7	Low	154 Å²	154	89 Å²	89	58%	0.581	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.6	-179.3	-58	-178	66.9	125.7	3.8	111.2	K430 Y432 G438	K430-R440 HydrophobicContact CB-CB 3.66Å; K430-R440 HydrophobicContact CD-CB 4.35Å; K430-R440 VanDerWaalsContact O-CZ 3.29Å; K430-R440 PolarHBondContact O-NE 3.03Å; K430-R440 PolarHBondContact O-NH2 3.43Å; Y432-R440 CarbonylContact O-C 3.55Å; Y432-R440 WeakPolarHBondContact O-CA 3.42Å; G438-R440 PolarHBondContact O-N 2.68Å
441	F	62.5	Low	52.8	Low	46 Å²	46	86.5 Å²	86.5	20%	0.202	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	163.6	-172.2	-59.8	-90.1	0	0	0	110.8	K430 T431 Y432 C434 K439 R446 L447 H450	K430-F441 CarbonylContact C-O 3.5Å; T431-F441 PolarHBondContact N-O 3.29Å; Y432-F441 PolarHBondContact N-O 3.19Å; Y432-F441 VanDerWaalsContact N-O 3.1Å; Y432-F441 PolarHBondContact O-N 3.06Å; C434-F441 HydrophobicContact CB-CE2 4.18Å; K439-F441 HydrophobicContact CB-CE2 3.57Å; K439-F441 HydrophobicContact CB-CZ 3.72Å; K439-F441 VanDerWaalsContact O-CE2 3.3Å; K439-F441 WeakPolarHBondContact O-CE2 3.47Å; F441-R446 HydrophobicContact CB-CB 4.4Å; F441-R446 HydrophobicContact CD1-CB 4.25Å; F441-L447 HydrophobicContact CB-CB 4.47Å; F441-L447 HydrophobicContact CD2-CB 4.43Å; F441-L447 HydrophobicContact CD2-CD1 4Å; F441-L447 HydrophobicContact CE2-CD1 4.36Å; F441-H450 HydrophobicContact CE1-CB 4.02Å; F441-H450 HydrophobicContact CE2-CB 4.12Å; F441-H450 AromaticContact CE2-CD2 3.11Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.47Å; F441-H450 AromaticContact CE2-CG 3.7Å; F441-H450 AromaticContact CE2-NE2 3.78Å; F441-H450 HydrophobicContact CZ-CB 3.69Å; F441-H450 AromaticContact CZ-CD2 3.2Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.44Å; F441-H450 AromaticContact CZ-CG 3.3Å; F441-H450 AromaticContact CZ-ND1 3.99Å; F441-H450 AromaticContact CZ-NE2 3.8Å
442	L	44.4	Very low	53	Low	98 Å²	98	87.9 Å²	87.9	51%	0.513	44%	0.439	S	S	.	.	S	Bend	trans	-86	-23.8	-175.9	-62.5	172.9	0	0	0	113	K430	K430-L442 HydrophobicContact CG-CD2 4.05Å
443	D	51.8	Low	52.9	Low	40 Å²	40	86.2 Å²	86.2	21%	0.214	45%	0.447	C	S	.	.	S	Bend	trans	-147	161.5	-176.9	63.1	82.4	0	0	0	111.6	L445 R446 L447	D443-L445 VanDerWaalsContact C-N 3.32Å; D443-L445 PolarHBondContact O-N 3.44Å; D443-L445 WeakPolarHBondContact OD1-CA 3.36Å; D443-L445 WeakPolarHBondContact OD1-CB 3.35Å; D443-L445 PolarHBondContact OD1-N 3.18Å; D443-L445 VanDerWaalsContact OD1-N 3.09Å; D443-R446 WeakPolarHBondContact OD1-CB 3.43Å; D443-R446 WeakPolarHBondContact OD1-CG 2.84Å; D443-R446 PolarHBondContact OD1-N 2.89Å; D443-R446 WeakPolarHBondContact OD2-CD 3.41Å; D443-R446 WeakPolarHBondContact OD2-CG 3.16Å; D443-R446 IonicContact OD2-CZ 2.83Å; D443-R446 IonicContact OD2-NE 2.57Å; D443-R446 IonicContact OD2-NH1 3.79Å; D443-R446 PolarHBondContact OD2-NH1 3.28Å; D443-L447 PolarHBondContact O-N 2.8Å
444	S	48.6	Very low	53.2	Low	56 Å²	56	87.9 Å²	87.9	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-72.4	-21.9	-176.7	60.9	0	0	0	0	113.6	R448	S444-R448 VanDerWaalsContact O-CB 3.29Å; S444-R448 WeakPolarHBondContact O-CB 3.45Å; S444-R448 PolarHBondContact O-N 2.82Å
445	L	51.4	Low	53.1	Low	103 Å²	103	91.9 Å²	91.9	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-74.1	-44.8	177.5	-178.9	63.6	0	0	0	110.8	D443 R448 M449	D443-L445 VanDerWaalsContact C-N 3.32Å; D443-L445 PolarHBondContact O-N 3.44Å; D443-L445 WeakPolarHBondContact OD1-CA 3.36Å; D443-L445 WeakPolarHBondContact OD1-CB 3.35Å; D443-L445 PolarHBondContact OD1-N 3.18Å; D443-L445 VanDerWaalsContact OD1-N 3.09Å; L445-R448 WeakPolarHBondContact O-CB 3.42Å; L445-R448 PolarHBondContact O-N 3.02Å; L445-M449 WeakPolarHBondContact O-CG 3.44Å; L445-M449 PolarHBondContact O-N 3.46Å
446	R	51.8	Low	52.8	Low	145 Å²	145	84.5 Å²	84.5	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-38.2	172.8	-70.9	-176.2	-180	118.7	-8.1	111.7	F441 D443 H450	F441-R446 HydrophobicContact CB-CB 4.4Å; F441-R446 HydrophobicContact CD1-CB 4.25Å; D443-R446 WeakPolarHBondContact OD1-CB 3.43Å; D443-R446 WeakPolarHBondContact OD1-CG 2.84Å; D443-R446 PolarHBondContact OD1-N 2.89Å; D443-R446 WeakPolarHBondContact OD2-CD 3.41Å; D443-R446 WeakPolarHBondContact OD2-CG 3.16Å; D443-R446 IonicContact OD2-CZ 2.83Å; D443-R446 IonicContact OD2-NE 2.57Å; D443-R446 IonicContact OD2-NH1 3.79Å; D443-R446 PolarHBondContact OD2-NH1 3.28Å; R446-H450 VanDerWaalsContact O-CB 3.31Å; R446-H450 WeakPolarHBondContact O-CB 3.48Å; R446-H450 PolarHBondContact O-N 2.82Å
447	L	56.1	Low	52.6	Low	25 Å²	25	82.8 Å²	82.8	13%	0.131	46%	0.455	C	S	.	.	H	α-helix	trans	-61.7	-45.5	169.9	176.6	60.2	0	0	0	111.1	Y432 G433 C434 F441 D443 M449 H450 L451	Y432-L447 HydrophobicContact CD1-CD2 4.44Å; G433-L447 WeakPolarHBondContact O-CD2 3.21Å; C434-L447 HydrophobicContact CB-CD1 3.74Å; F441-L447 HydrophobicContact CB-CB 4.47Å; F441-L447 HydrophobicContact CD2-CB 4.43Å; F441-L447 HydrophobicContact CD2-CD1 4Å; F441-L447 HydrophobicContact CE2-CD1 4.36Å; D443-L447 PolarHBondContact O-N 2.8Å; L447-M449 PolarHBondContact O-N 3.04Å; L447-H450 CarbonylContact O-C 3.59Å; L447-H450 PolarHBondContact O-N 3.21Å; L447-H450 VanDerWaalsContact O-N 3.13Å; L447-L451 HydrophobicContact CD1-CD1 4.07Å; L447-L451 HydrophobicContact CD1-CG 3.98Å; L447-L451 HydrophobicContact CD2-CD1 4.47Å; L447-L451 HydrophobicContact CG-CD1 3.89Å; L447-L451 HydrophobicContact CG-CG 4.28Å; L447-L451 WeakPolarHBondContact O-CG 3.47Å; L447-L451 PolarHBondContact O-N 3.31Å
448	R	50.1	Low	52.4	Low	158 Å²	158	84.8 Å²	84.8	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-61.3	-44.1	177.7	-168.8	-178.4	-62.3	154	1.5	112.3	S444 L445 H450 L451 L452	S444-R448 VanDerWaalsContact O-CB 3.29Å; S444-R448 WeakPolarHBondContact O-CB 3.45Å; S444-R448 PolarHBondContact O-N 2.82Å; L445-R448 WeakPolarHBondContact O-CB 3.42Å; L445-R448 PolarHBondContact O-N 3.02Å; R448-H450 VanDerWaalsContact C-N 3.27Å; R448-H450 PolarHBondContact O-N 2.81Å; R448-L451 PolarHBondContact O-N 2.94Å; R448-L452 WeakPolarHBondContact O-CG 3.24Å; R448-L452 PolarHBondContact O-N 3.16Å
449	M	48.9	Very low	52.3	Low	124 Å²	124	89.8 Å²	89.8	61%	0.611	48%	0.481	S	S	*	.	H	α-helix	trans	-61.7	-34	173.3	-71.8	176.2	67.9	0	0	112.7	L445 L447	L445-M449 WeakPolarHBondContact O-CG 3.44Å; L445-M449 PolarHBondContact O-N 3.46Å; L447-M449 PolarHBondContact O-N 3.04Å
450	H	56.2	Low	52.7	Low	28 Å²	28	86 Å²	86	13%	0.13	47%	0.472	C	S	.	.	H	α-helix	trans	-78.4	-36.6	176.9	169.9	51.7	0	0	0	113.1	C434 C437 F441 R446 L447 R448 L452 A453 H454	C434-H450 VanDerWaalsContact CB-CD2 3.48Å; C434-H450 WeakPolarHBondContact CB-CD2 3.47Å; C434-H450 WeakPolarHBondContact CB-NE2 3.37Å; C434-H450 VanDerWaalsContact SG-CD2 3.59Å; C434-H450 PolarHBondContact SG-NE2 3.34Å; C437-H450 VanDerWaalsContact SG-CE1 3.54Å; C437-H450 PolarHBondContact SG-NE2 2.92Å; F441-H450 HydrophobicContact CE1-CB 4.02Å; F441-H450 HydrophobicContact CE2-CB 4.12Å; F441-H450 AromaticContact CE2-CD2 3.11Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.47Å; F441-H450 AromaticContact CE2-CG 3.7Å; F441-H450 AromaticContact CE2-NE2 3.78Å; F441-H450 HydrophobicContact CZ-CB 3.69Å; F441-H450 AromaticContact CZ-CD2 3.2Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.44Å; F441-H450 AromaticContact CZ-CG 3.3Å; F441-H450 AromaticContact CZ-ND1 3.99Å; F441-H450 AromaticContact CZ-NE2 3.8Å; R446-H450 VanDerWaalsContact O-CB 3.31Å; R446-H450 WeakPolarHBondContact O-CB 3.48Å; R446-H450 PolarHBondContact O-N 2.82Å; L447-H450 CarbonylContact O-C 3.59Å; L447-H450 PolarHBondContact O-N 3.21Å; L447-H450 VanDerWaalsContact O-N 3.13Å; R448-H450 VanDerWaalsContact C-N 3.27Å; R448-H450 PolarHBondContact O-N 2.81Å; H450-L452 VanDerWaalsContact C-N 3.27Å; H450-L452 PolarHBondContact O-N 3.32Å; H450-A453 WeakPolarHBondContact O-CB 3.39Å; H450-A453 PolarHBondContact O-N 3.45Å; H450-A453 VanDerWaalsContact O-N 3.08Å; H450-H454 AromaticContact CE1-CD2 3.46Å; H450-H454 PolarHBondContact CE1-CD2 2.89Å; H450-H454 VanDerWaalsContact CE1-CD2 3.46Å; H450-H454 AromaticContact CE1-NE2 3.26Å; H450-H454 PolarHBondContact CE1-NE2 2.97Å; H450-H454 VanDerWaalsContact CE1-NE2 3.26Å; H450-H454 AromaticContact NE2-CD2 3.67Å; H450-H454 AromaticContact NE2-NE2 3.47Å; H450-H454 PolarHBondContact NE2-NE2 3.26Å; H450-H454 PolarHBondContact O-N 3.36Å
451	L	53.9	Low	53.3	Low	68 Å²	68	81.3 Å²	81.3	36%	0.356	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-34.3	171.4	-72.1	169.6	0	0	0	111.2	L436 L447 R448 A453 H454 S455	L436-L451 HydrophobicContact CD1-CD2 4.28Å; L447-L451 HydrophobicContact CD1-CD1 4.07Å; L447-L451 HydrophobicContact CD1-CG 3.98Å; L447-L451 HydrophobicContact CD2-CD1 4.47Å; L447-L451 HydrophobicContact CG-CD1 3.89Å; L447-L451 HydrophobicContact CG-CG 4.28Å; L447-L451 WeakPolarHBondContact O-CG 3.47Å; L447-L451 PolarHBondContact O-N 3.31Å; R448-L451 PolarHBondContact O-N 2.94Å; L451-A453 PolarHBondContact O-N 3.24Å; L451-H454 WeakPolarHBondContact O-CA 3.41Å; L451-H454 WeakPolarHBondContact O-CB 3.31Å; L451-H454 PolarHBondContact O-N 3.3Å; L451-S455 PolarHBondContact O-N 2.65Å; L451-S455 PolarHBondContact O-OG 2.76Å
452	L	58.1	Low	52.9	Low	109 Å²	109	82.7 Å²	82.7	57%	0.571	47%	0.468	S	S	*	.	H	α-helix	trans	-56.9	-37.9	170.3	-77.3	170.2	0	0	0	112.1	R448 H450 H454 S455 A456	R448-L452 WeakPolarHBondContact O-CG 3.24Å; R448-L452 PolarHBondContact O-N 3.16Å; H450-L452 VanDerWaalsContact C-N 3.27Å; H450-L452 PolarHBondContact O-N 3.32Å; L452-H454 VanDerWaalsContact C-N 3.29Å; L452-H454 PolarHBondContact O-N 3.3Å; L452-S455 WeakPolarHBondContact CA-OG 3.4Å; L452-S455 CarbonylContact O-C 3.56Å; L452-S455 PolarHBondContact O-N 2.84Å; L452-S455 PolarHBondContact O-OG 2.6Å; L452-A456 WeakPolarHBondContact O-CB 3.39Å; L452-A456 PolarHBondContact O-N 3.47Å
453	A	51.7	Low	53.6	Low	68 Å²	68	78.1 Å²	78.1	56%	0.562	44%	0.444	S	S	*	.	H	α-helix	trans	-70.9	-19.5	174.5	0	0	0	0	0	114	H450 L451	H450-A453 WeakPolarHBondContact O-CB 3.39Å; H450-A453 PolarHBondContact O-N 3.45Å; H450-A453 VanDerWaalsContact O-N 3.08Å; L451-A453 PolarHBondContact O-N 3.24Å
454	H	55.6	Low	53.7	Low	73 Å²	73	80.8 Å²	80.8	34%	0.338	46%	0.459	S	S	.	.	H	α-helix	trans	-81.6	-35.5	168.7	-82.5	-81.1	0	0	0	112.5	L436 C437 H450 L451 L452 A456	L436-H454 HydrophobicContact CD1-CB 3.6Å; C437-H454 PolarHBondContact SG-NE2 2.97Å; H450-H454 AromaticContact CE1-CD2 3.46Å; H450-H454 PolarHBondContact CE1-CD2 2.89Å; H450-H454 VanDerWaalsContact CE1-CD2 3.46Å; H450-H454 AromaticContact CE1-NE2 3.26Å; H450-H454 PolarHBondContact CE1-NE2 2.97Å; H450-H454 VanDerWaalsContact CE1-NE2 3.26Å; H450-H454 AromaticContact NE2-CD2 3.67Å; H450-H454 AromaticContact NE2-NE2 3.47Å; H450-H454 PolarHBondContact NE2-NE2 3.26Å; H450-H454 PolarHBondContact O-N 3.36Å; L451-H454 WeakPolarHBondContact O-CA 3.41Å; L451-H454 WeakPolarHBondContact O-CB 3.31Å; L451-H454 PolarHBondContact O-N 3.3Å; L452-H454 VanDerWaalsContact C-N 3.29Å; L452-H454 PolarHBondContact O-N 3.3Å; H454-A456 PolarHBondContact O-N 3.3Å
455	S	56.6	Low	53.7	Low	86 Å²	86	83.2 Å²	83.2	60%	0.601	46%	0.464	S	S	*	.	H	α-helix	trans	-73.5	-13.1	170.5	57.2	0	0	0	0	113.7	L451 L452 G457	L451-S455 PolarHBondContact O-N 2.65Å; L451-S455 PolarHBondContact O-OG 2.76Å; L452-S455 WeakPolarHBondContact CA-OG 3.4Å; L452-S455 CarbonylContact O-C 3.56Å; L452-S455 PolarHBondContact O-N 2.84Å; L452-S455 PolarHBondContact O-OG 2.6Å; S455-G457 PolarHBondContact O-N 2.83Å
456	A	50.8	Low	53.6	Low	41 Å²	41	81.6 Å²	81.6	34%	0.339	46%	0.46	S	S	.	.			trans	-75.1	25.8	-176.9	0	0	0	0	0	114.8	L452 H454 A458 K459	L452-A456 WeakPolarHBondContact O-CB 3.39Å; L452-A456 PolarHBondContact O-N 3.47Å; H454-A456 PolarHBondContact O-N 3.3Å; A456-A458 PolarHBondContact O-N 3.43Å; A456-K459 PolarHBondContact O-N 2.96Å
457	G	52.4	Low	53.4	Low	81 Å²	81	76.7 Å²	76.7	84%	0.835	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.2	175.2	0	0	0	0	0	115.3	S455	S455-G457 PolarHBondContact O-N 2.83Å
458	A	51.9	Low	53.3	Low	95 Å²	95	77.1 Å²	77.1	79%	0.785	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.1	11.3	179.1	0	0	0	0	0	114.9	A456	A456-A458 PolarHBondContact O-N 3.43Å
459	K	50.3	Low	53.6	Low	164 Å²	164	76.6 Å²	76.6	71%	0.713	47%	0.467	S	S	*	.			trans	-140.3	38.6	-178.3	-68.1	-161.9	176.1	-166.3	0	114.2	A456	A456-K459 PolarHBondContact O-N 2.96Å
460	A	55.6	Low	54.6	Low	44 Å²	44	73 Å²	73	36%	0.364	45%	0.447	S	S	.	.			trans	-79.7	119.4	153.1	0	0	0	0	0	107.6	V462 Q469	A460-V462 WeakPolarHBondContact O-CG2 3.31Å; A460-V462 PolarHBondContact O-N 3.05Å; A460-V462 VanDerWaalsContact O-N 3.16Å; A460-Q469 HydrophobicContact CB-CB 4.42Å
461	F	59.7	Low	54.9	Low	55 Å²	55	77.1 Å²	77.1	24%	0.241	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	102.3	175.3	-71.1	-85.2	0	0	0	107.9	F470 E473 L476	F461-F470 HydrophobicContact CB-CB 4.28Å; F461-F470 PolarHBondContact N-O 3.12Å; F461-F470 WeakPolarHBondContact O-CD2 3.47Å; F461-F470 PolarHBondContact O-N 3.34Å; F461-E473 HydrophobicContact CD1-CB 4.1Å; F461-E473 HydrophobicContact CD1-CG 3.98Å; F461-E473 HydrophobicContact CE1-CB 3.73Å; F461-E473 HydrophobicContact CE1-CG 3.64Å; F461-E473 WeakPolarHBondContact CE1-OE1 3.48Å; F461-E473 WeakPolarHBondContact CE1-OE2 3.4Å; F461-E473 HydrophobicContact CE2-CB 4.16Å; F461-E473 HydrophobicContact CG-CB 4.47Å; F461-E473 HydrophobicContact CZ-CB 3.75Å; F461-E473 HydrophobicContact CZ-CG 4.15Å; F461-L476 HydrophobicContact CB-CB 3.82Å; F461-L476 HydrophobicContact CB-CD2 3.77Å; F461-L476 HydrophobicContact CB-CG 4.37Å; F461-L476 HydrophobicContact CD1-CD2 4.42Å
462	V	56	Low	55.6	Low	75 Å²	75	79.9 Å²	79.9	46%	0.455	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.3	-175.4	-168.2	0	0	0	0	110	A460 D464 A468 Q469	A460-V462 WeakPolarHBondContact O-CG2 3.31Å; A460-V462 PolarHBondContact O-N 3.05Å; A460-V462 VanDerWaalsContact O-N 3.16Å; V462-D464 PolarHBondContact O-N 3.1Å; V462-A468 CarbonylContact C-O 3.54Å; V462-A468 WeakPolarHBondContact CA-O 3.32Å; V462-Q469 HydrophobicContact CG2-CG 4.25Å
463	C	58.1	Low	56.1	Low	2 Å²	2	80.6 Å²	80.6	1%	0.014	49%	0.489	C	S	.	.			trans	-70.8	116.1	171.8	-179.1	0	0	0	0	111.2	Q465 C466 G467 A468 F470 L476 H483	C463-Q465 PolarHBondContact O-N 2.9Å; C463-Q465 PolarHBondContact SG-N 3.24Å; C463-Q465 VanDerWaalsContact SG-N 3.36Å; C463-C466 PolarHBondContact O-N 3.22Å; C463-G467 WeakPolarHBondContact O-CA 3.36Å; C463-G467 PolarHBondContact O-N 2.83Å; C463-A468 HydrophobicContact CB-CB 4.43Å; C463-A468 PolarHBondContact N-O 3.22Å; C463-F470 HydrophobicContact CB-CE2 4.36Å; C463-L476 HydrophobicContact CB-CD1 3.68Å; C463-H483 VanDerWaalsContact SG-CD2 3.55Å; C463-H483 PolarHBondContact SG-NE2 3.4Å; C463-H483 VanDerWaalsContact SG-NE2 3.36Å
464	D	54.3	Low	57.1	Low	97 Å²	97	82.4 Å²	82.4	52%	0.519	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-41.2	166.3	47	5.7	0	0	0	114.3	V462 R480	V462-D464 PolarHBondContact O-N 3.1Å; D464-R480 IonicContact OD1-NE 2.67Å; D464-R480 PolarHBondContact OD1-NE 3.14Å; D464-R480 IonicContact OD2-CZ 2.67Å; D464-R480 IonicContact OD2-NE 3.85Å; D464-R480 PolarHBondContact OD2-NE 3.3Å; D464-R480 VanDerWaalsContact OD2-NE 3.13Å; D464-R480 IonicContact OD2-NH2 2.89Å; D464-R480 PolarHBondContact OD2-NH2 2.88Å
465	Q	47.3	Very low	57.7	Low	106 Å²	106	80.5 Å²	80.5	50%	0.495	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-11.6	-171.3	-70.5	166.2	83.9	0	0	115.1	C463 H483	C463-Q465 PolarHBondContact O-N 2.9Å; C463-Q465 PolarHBondContact SG-N 3.24Å; C463-Q465 VanDerWaalsContact SG-N 3.36Å; Q465-H483 HydrophobicContact CB-CB 4.21Å; Q465-H483 VanDerWaalsContact OE1-CB 3.25Å
466	C	49.5	Very low	58.4	Low	69 Å²	69	77.2 Å²	77.2	47%	0.466	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	2.8	178	75.2	0	0	0	0	117.1	C463 A468 H479 H483	C463-C466 PolarHBondContact O-N 3.22Å; C466-A468 PolarHBondContact O-N 2.75Å; C466-H479 PolarHBondContact SG-NE2 3.3Å; C466-H483 VanDerWaalsContact SG-CE1 3.57Å; C466-H483 PolarHBondContact SG-NE2 3.25Å
467	G	48.8	Very low	59.1	Low	43 Å²	43	79.2 Å²	79.2	44%	0.443	46%	0.464	S	S	.	.			trans	73.2	1.8	178.6	0	0	0	0	0	115.9	C463	C463-G467 WeakPolarHBondContact O-CA 3.36Å; C463-G467 PolarHBondContact O-N 2.83Å
468	A	52.7	Low	59.8	Low	33 Å²	33	78.6 Å²	78.6	27%	0.273	45%	0.445	S	S	.	.			trans	-62.8	136.3	176.4	0	0	0	0	0	111.4	V462 C463 C466 F470	V462-A468 CarbonylContact C-O 3.54Å; V462-A468 WeakPolarHBondContact CA-O 3.32Å; C463-A468 HydrophobicContact CB-CB 4.43Å; C463-A468 PolarHBondContact N-O 3.22Å; C466-A468 PolarHBondContact O-N 2.75Å; A468-F470 HydrophobicContact CB-CE2 3.59Å; A468-F470 HydrophobicContact CB-CZ 3.79Å; A468-F470 WeakPolarHBondContact O-CE2 3.49Å
469	Q	57.1	Low	60.6	Low	147 Å²	147	75.7 Å²	75.7	69%	0.687	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	129	-173.6	-59.8	-172.2	-5.9	0	0	111.6	A460 V462	A460-Q469 HydrophobicContact CB-CB 4.42Å; V462-Q469 HydrophobicContact CG2-CG 4.25Å
470	F	70.4	Confident	61.3	Low	48 Å²	48	71.8 Å²	71.8	21%	0.211	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.8	-177.7	-59.1	-86.5	0	0	0	111.6	F461 C463 A468 K472 A475 L476 H479	F461-F470 HydrophobicContact CB-CB 4.28Å; F461-F470 PolarHBondContact N-O 3.12Å; F461-F470 WeakPolarHBondContact O-CD2 3.47Å; F461-F470 PolarHBondContact O-N 3.34Å; C463-F470 HydrophobicContact CB-CE2 4.36Å; A468-F470 HydrophobicContact CB-CE2 3.59Å; A468-F470 HydrophobicContact CB-CZ 3.79Å; A468-F470 WeakPolarHBondContact O-CE2 3.49Å; F470-K472 VanDerWaalsContact C-N 3.3Å; F470-A475 HydrophobicContact CB-CB 4.25Å; F470-A475 HydrophobicContact CD1-CB 4.07Å; F470-A475 VanDerWaalsContact CD1-O 3.25Å; F470-A475 WeakPolarHBondContact CD1-O 3.32Å; F470-A475 HydrophobicContact CG-CB 4.49Å; F470-L476 HydrophobicContact CB-CB 4.15Å; F470-L476 HydrophobicContact CD2-CB 3.98Å; F470-L476 HydrophobicContact CD2-CD1 3.81Å; F470-L476 HydrophobicContact CE2-CD1 4.09Å; F470-L476 HydrophobicContact CG-CB 4.22Å; F470-H479 HydrophobicContact CE1-CB 4Å; F470-H479 HydrophobicContact CE2-CB 3.99Å; F470-H479 AromaticContact CE2-CD2 3.24Å; F470-H479 WeakPolarHBondContact CE2-CD2 3.27Å; F470-H479 AromaticContact CE2-CG 3.62Å; F470-H479 AromaticContact CE2-NE2 3.85Å; F470-H479 HydrophobicContact CZ-CB 3.57Å; F470-H479 AromaticContact CZ-CD2 3.36Å; F470-H479 WeakPolarHBondContact CZ-CD2 3.35Å; F470-H479 AromaticContact CZ-CG 3.24Å; F470-H479 AromaticContact CZ-ND1 3.74Å; F470-H479 AromaticContact CZ-NE2 3.86Å
471	S	61.3	Low	61.8	Low	115 Å²	115	73.5 Å²	73.5	80%	0.804	40%	0.396	S	S	*	.	S	Bend	trans	-88	4.7	179.4	61.5	0	0	0	0	113.9
472	K	70.2	Confident	61.7	Low	126 Å²	126	73.2 Å²	73.2	55%	0.548	40%	0.399	S	S	.	.	S	Bend	trans	-150.4	149.7	179.6	-72.7	-170.1	168.4	-159.9	0	109.6	F470 A475 L476	F470-K472 VanDerWaalsContact C-N 3.3Å; K472-A475 HydrophobicContact CB-CB 4.05Å; K472-A475 PolarHBondContact O-N 2.93Å; K472-L476 PolarHBondContact O-N 2.9Å
473	E	68.6	Low	61.8	Low	124 Å²	124	72.9 Å²	72.9	58%	0.579	39%	0.392	S	S	*	.	H	α-helix	trans	-68.7	-46	177.6	-159.3	147.8	-155.1	0	0	111.2	F461 A475 L476 E477	F461-E473 HydrophobicContact CD1-CB 4.1Å; F461-E473 HydrophobicContact CD1-CG 3.98Å; F461-E473 HydrophobicContact CE1-CB 3.73Å; F461-E473 HydrophobicContact CE1-CG 3.64Å; F461-E473 WeakPolarHBondContact CE1-OE1 3.48Å; F461-E473 WeakPolarHBondContact CE1-OE2 3.4Å; F461-E473 HydrophobicContact CE2-CB 4.16Å; F461-E473 HydrophobicContact CG-CB 4.47Å; F461-E473 HydrophobicContact CZ-CB 3.75Å; F461-E473 HydrophobicContact CZ-CG 4.15Å; E473-A475 PolarHBondContact O-N 3.07Å; E473-A475 VanDerWaalsContact O-N 3.11Å; E473-L476 CarbonylContact O-C 3.5Å; E473-L476 WeakPolarHBondContact O-CA 3.47Å; E473-L476 WeakPolarHBondContact O-CB 3.2Å; E473-L476 PolarHBondContact O-N 3.12Å; E473-E477 PolarHBondContact O-N 3.29Å
474	D	71.3	Confident	61.6	Low	107 Å²	107	76.3 Å²	76.3	57%	0.572	41%	0.413	S	S	*	.	H	α-helix	trans	-53.4	-34.9	173.8	-11.3	-51.5	0	0	0	113.1	T478	D474-T478 WeakPolarHBondContact O-CB 3.32Å; D474-T478 WeakPolarHBondContact O-CG2 3.48Å; D474-T478 PolarHBondContact O-N 3.33Å; D474-T478 PolarHBondContact O-OG1 2.84Å
475	A	69.3	Low	61.6	Low	33 Å²	33	73.1 Å²	73.1	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-79.8	-24.8	179	0	0	0	0	0	113	F470 K472 E473 H479	F470-A475 HydrophobicContact CB-CB 4.25Å; F470-A475 HydrophobicContact CD1-CB 4.07Å; F470-A475 VanDerWaalsContact CD1-O 3.25Å; F470-A475 WeakPolarHBondContact CD1-O 3.32Å; F470-A475 HydrophobicContact CG-CB 4.49Å; K472-A475 HydrophobicContact CB-CB 4.05Å; K472-A475 PolarHBondContact O-N 2.93Å; E473-A475 PolarHBondContact O-N 3.07Å; E473-A475 VanDerWaalsContact O-N 3.11Å; A475-H479 WeakPolarHBondContact O-CB 3.44Å
476	L	70.6	Confident	61.6	Low	17 Å²	17	74 Å²	74	9%	0.089	42%	0.416	C	S	.	.	H	α-helix	trans	-74.8	-43.9	165.7	170.6	61.9	0	0	0	110.3	F461 C463 F470 K472 E473 H479 R480	F461-L476 HydrophobicContact CB-CB 3.82Å; F461-L476 HydrophobicContact CB-CD2 3.77Å; F461-L476 HydrophobicContact CB-CG 4.37Å; F461-L476 HydrophobicContact CD1-CD2 4.42Å; C463-L476 HydrophobicContact CB-CD1 3.68Å; F470-L476 HydrophobicContact CB-CB 4.15Å; F470-L476 HydrophobicContact CD2-CB 3.98Å; F470-L476 HydrophobicContact CD2-CD1 3.81Å; F470-L476 HydrophobicContact CE2-CD1 4.09Å; F470-L476 HydrophobicContact CG-CB 4.22Å; K472-L476 PolarHBondContact O-N 2.9Å; E473-L476 CarbonylContact O-C 3.5Å; E473-L476 WeakPolarHBondContact O-CA 3.47Å; E473-L476 WeakPolarHBondContact O-CB 3.2Å; E473-L476 PolarHBondContact O-N 3.12Å; L476-H479 CarbonylContact O-C 3.21Å; L476-H479 WeakPolarHBondContact O-CA 3.16Å; L476-H479 VanDerWaalsContact O-CB 3.31Å; L476-H479 WeakPolarHBondContact O-CB 3.22Å; L476-H479 PolarHBondContact O-N 3.48Å; L476-R480 HydrophobicContact CD1-CG 3.82Å; L476-R480 HydrophobicContact CG-CG 4.14Å; L476-R480 WeakPolarHBondContact O-CG 3.27Å; L476-R480 PolarHBondContact O-N 3.26Å
477	E	65.3	Low	61.5	Low	82 Å²	82	76.1 Å²	76.1	38%	0.383	42%	0.423	S	S	.	.	H	α-helix	trans	-70.9	-42.7	-172.1	-163.2	52.8	-138.7	0	0	112	E473 H479 R480 Q481	E473-E477 PolarHBondContact O-N 3.29Å; E477-H479 PolarHBondContact O-N 3.39Å; E477-H479 VanDerWaalsContact O-N 3.15Å; E477-R480 PolarHBondContact O-N 3.39Å; E477-R480 IonicContact OE2-CZ 3.78Å; E477-R480 IonicContact OE2-NH1 2.64Å; E477-R480 PolarHBondContact OE2-NH1 3.38Å; E477-Q481 WeakPolarHBondContact O-CG 3.3Å; E477-Q481 PolarHBondContact O-N 3.02Å
478	T	67.5	Low	61.7	Low	69 Å²	69	76.8 Å²	76.8	42%	0.423	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-21	167.7	50.2	0	0	0	0	113.4	D474	D474-T478 WeakPolarHBondContact O-CB 3.32Å; D474-T478 WeakPolarHBondContact O-CG2 3.48Å; D474-T478 PolarHBondContact O-N 3.33Å; D474-T478 PolarHBondContact O-OG1 2.84Å
479	H	68.4	Low	61.6	Low	34 Å²	34	78.6 Å²	78.6	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-86.6	-33.1	171.3	171.7	72	0	0	0	113.1	C466 F470 A475 L476 E477 Q481 T482 H483	C466-H479 PolarHBondContact SG-NE2 3.3Å; F470-H479 HydrophobicContact CE1-CB 4Å; F470-H479 HydrophobicContact CE2-CB 3.99Å; F470-H479 AromaticContact CE2-CD2 3.24Å; F470-H479 WeakPolarHBondContact CE2-CD2 3.27Å; F470-H479 AromaticContact CE2-CG 3.62Å; F470-H479 AromaticContact CE2-NE2 3.85Å; F470-H479 HydrophobicContact CZ-CB 3.57Å; F470-H479 AromaticContact CZ-CD2 3.36Å; F470-H479 WeakPolarHBondContact CZ-CD2 3.35Å; F470-H479 AromaticContact CZ-CG 3.24Å; F470-H479 AromaticContact CZ-ND1 3.74Å; F470-H479 AromaticContact CZ-NE2 3.86Å; A475-H479 WeakPolarHBondContact O-CB 3.44Å; L476-H479 CarbonylContact O-C 3.21Å; L476-H479 WeakPolarHBondContact O-CA 3.16Å; L476-H479 VanDerWaalsContact O-CB 3.31Å; L476-H479 WeakPolarHBondContact O-CB 3.22Å; L476-H479 PolarHBondContact O-N 3.48Å; E477-H479 PolarHBondContact O-N 3.39Å; E477-H479 VanDerWaalsContact O-N 3.15Å; H479-Q481 VanDerWaalsContact C-N 3.28Å; H479-Q481 PolarHBondContact O-N 2.8Å; H479-T482 PolarHBondContact ND1-OG1 2.78Å; H479-T482 WeakPolarHBondContact O-CA 3.49Å; H479-T482 VanDerWaalsContact O-CB 3.31Å; H479-T482 WeakPolarHBondContact O-CB 3.43Å; H479-T482 PolarHBondContact O-N 3.34Å; H479-T482 PolarHBondContact O-OG1 3.29Å; H479-H483 AromaticContact CD2-NE2 3.72Å; H479-H483 AromaticContact CE1-CE1 3.91Å; H479-H483 AromaticContact CE1-NE2 3.24Å; H479-H483 PolarHBondContact CE1-NE2 2.93Å; H479-H483 AromaticContact NE2-CD2 3.88Å; H479-H483 AromaticContact NE2-CE1 3.91Å; H479-H483 AromaticContact NE2-NE2 2.96Å; H479-H483 PolarHBondContact NE2-NE2 3.34Å; H479-H483 PolarHBondContact O-CD2 3.04Å
480	R	66	Low	61.5	Low	81 Å²	81	73.2 Å²	73.2	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-65.1	-35.1	173.5	-71.3	172.1	88	-146.2	10.9	111.2	D464 L476 E477 T482 H483 T484	D464-R480 IonicContact OD1-NE 2.67Å; D464-R480 PolarHBondContact OD1-NE 3.14Å; D464-R480 IonicContact OD2-CZ 2.67Å; D464-R480 IonicContact OD2-NE 3.85Å; D464-R480 PolarHBondContact OD2-NE 3.3Å; D464-R480 VanDerWaalsContact OD2-NE 3.13Å; D464-R480 IonicContact OD2-NH2 2.89Å; D464-R480 PolarHBondContact OD2-NH2 2.88Å; L476-R480 HydrophobicContact CD1-CG 3.82Å; L476-R480 HydrophobicContact CG-CG 4.14Å; L476-R480 WeakPolarHBondContact O-CG 3.27Å; L476-R480 PolarHBondContact O-N 3.26Å; E477-R480 PolarHBondContact O-N 3.39Å; E477-R480 IonicContact OE2-CZ 3.78Å; E477-R480 IonicContact OE2-NH1 2.64Å; E477-R480 PolarHBondContact OE2-NH1 3.38Å; R480-T482 PolarHBondContact O-N 3.13Å; R480-T482 VanDerWaalsContact O-N 3.09Å; R480-H483 PolarHBondContact O-N 3.42Å; R480-T484 PolarHBondContact O-N 2.89Å
481	Q	66.1	Low	60.4	Low	81 Å²	81	75.6 Å²	75.6	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-56.2	-19.6	166.6	-68.7	166.8	5.2	0	0	114	E477 H479 T484	E477-Q481 WeakPolarHBondContact O-CG 3.3Å; E477-Q481 PolarHBondContact O-N 3.02Å; H479-Q481 VanDerWaalsContact C-N 3.28Å; H479-Q481 PolarHBondContact O-N 2.8Å; Q481-T484 WeakPolarHBondContact CA-OG1 3.35Å
482	T	57.8	Low	59.8	Low	49 Å²	49	70.1 Å²	70.1	30%	0.301	38%	0.379	S	S	.	.	H	α-helix	trans	-83.1	-17.7	174.1	75.5	0	0	0	0	114	H479 R480 Q500	H479-T482 PolarHBondContact ND1-OG1 2.78Å; H479-T482 WeakPolarHBondContact O-CA 3.49Å; H479-T482 VanDerWaalsContact O-CB 3.31Å; H479-T482 WeakPolarHBondContact O-CB 3.43Å; H479-T482 PolarHBondContact O-N 3.34Å; H479-T482 PolarHBondContact O-OG1 3.29Å; R480-T482 PolarHBondContact O-N 3.13Å; R480-T482 VanDerWaalsContact O-N 3.09Å; T482-Q500 HydrophobicContact CG2-CG 4.24Å; T482-Q500 VanDerWaalsContact CG2-NE2 3.25Å
483	H	56.6	Low	58.7	Low	68 Å²	68	71.4 Å²	71.4	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-97.9	-36.9	175	-55.8	-72.8	0	0	0	112.5	C463 Q465 C466 H479 R480 G485	C463-H483 VanDerWaalsContact SG-CD2 3.55Å; C463-H483 PolarHBondContact SG-NE2 3.4Å; C463-H483 VanDerWaalsContact SG-NE2 3.36Å; Q465-H483 HydrophobicContact CB-CB 4.21Å; Q465-H483 VanDerWaalsContact OE1-CB 3.25Å; C466-H483 VanDerWaalsContact SG-CE1 3.57Å; C466-H483 PolarHBondContact SG-NE2 3.25Å; H479-H483 AromaticContact CD2-NE2 3.72Å; H479-H483 AromaticContact CE1-CE1 3.91Å; H479-H483 AromaticContact CE1-NE2 3.24Å; H479-H483 PolarHBondContact CE1-NE2 2.93Å; H479-H483 AromaticContact NE2-CD2 3.88Å; H479-H483 AromaticContact NE2-CE1 3.91Å; H479-H483 AromaticContact NE2-NE2 2.96Å; H479-H483 PolarHBondContact NE2-NE2 3.34Å; H479-H483 PolarHBondContact O-CD2 3.04Å; R480-H483 PolarHBondContact O-N 3.42Å; H483-G485 PolarHBondContact O-N 3.5Å
484	T	55.3	Low	57.7	Low	73 Å²	73	70.7 Å²	70.7	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-31.2	179.5	55.4	0	0	0	0	112.5	R480 Q481 T486	R480-T484 PolarHBondContact O-N 2.89Å; Q481-T484 WeakPolarHBondContact CA-OG1 3.35Å; T484-T486 PolarHBondContact O-N 3.31Å; T484-T486 PolarHBondContact O-OG1 2.9Å
485	G	52.7	Low	56.5	Low	31 Å²	31	68 Å²	68	32%	0.32	38%	0.38	S	S	.	.			trans	70.9	-24.7	165.5	0	0	0	0	0	116.5	H483	H483-G485 PolarHBondContact O-N 3.5Å
486	T	48.3	Very low	55.3	Low	124 Å²	124	69 Å²	69	76%	0.761	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-34.6	-179.7	46.9	0	0	0	0	113	T484	T484-T486 PolarHBondContact O-N 3.31Å; T484-T486 PolarHBondContact O-OG1 2.9Å
487	D	48.1	Very low	54.3	Low	113 Å²	113	73.7 Å²	73.7	60%	0.604	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	39	-171.4	-150.8	7.3	0	0	0	114.1	A489	D487-A489 PolarHBondContact O-N 2.77Å
488	M	51.8	Low	54	Low	58 Å²	58	75.8 Å²	75.8	29%	0.286	42%	0.417	S	S	.	.			trans	-71.8	68.5	155	-78	-177	-78.9	0	0	108.8	V490 R498	M488-V490 PolarHBondContact O-N 3.27Å; M488-R498 PolarHBondContact O-NH2 2.77Å; M488-R498 HydrophobicContact SD-CB 4.02Å
489	A	51.6	Low	53.9	Low	71 Å²	71	74.5 Å²	74.5	59%	0.587	41%	0.406	S	S	*	.			trans	-58.3	-22.1	-169.3	0	0	0	0	0	114.6	D487	D487-A489 PolarHBondContact O-N 2.77Å
490	V	54.4	Low	53.4	Low	34 Å²	34	79.7 Å²	79.7	21%	0.206	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.6	-170.6	-168.7	0	0	0	0	111.4	M488 F499 Q502 L505	M488-V490 PolarHBondContact O-N 3.27Å; V490-F499 PolarHBondContact O-N 3.14Å; V490-Q502 HydrophobicContact CG2-CB 4.35Å; V490-L505 HydrophobicContact CG1-CB 3.46Å; V490-L505 VanDerWaalsContact CG1-CB 3.46Å; V490-L505 HydrophobicContact CG1-CD2 3.25Å; V490-L505 HydrophobicContact CG1-CG 3.92Å
491	F	47.9	Very low	53.5	Low	97 Å²	97	77.8 Å²	77.8	43%	0.425	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.3	177.6	66.7	-80.5	0	0	0	111.3	L493 K497 R498	F491-L493 HydrophobicContact CE2-CD2 3.73Å; F491-L493 HydrophobicContact CZ-CD2 4.04Å; F491-L493 PolarHBondContact O-N 2.69Å; F491-K497 CarbonylContact C-O 3.4Å; F491-K497 VanDerWaalsContact CA-O 3.26Å; F491-K497 WeakPolarHBondContact CA-O 3.36Å; F491-R498 HydrophobicContact CB-CB 4.43Å; F491-R498 HydrophobicContact CB-CG 4.08Å
492	C	47.4	Very low	53.2	Low	1 Å²	1	80.6 Å²	80.6	1%	0.007	45%	0.445	C	S	.	.			trans	-79.8	113.8	178.2	-177.2	0	0	0	0	110.6	L494 C495 G496 K497 F499 L505 H508 M509	C492-L494 PolarHBondContact O-N 3.35Å; C492-L494 PolarHBondContact SG-N 3.29Å; C492-L494 VanDerWaalsContact SG-N 3.44Å; C492-C495 PolarHBondContact O-N 3.11Å; C492-G496 WeakPolarHBondContact O-CA 3.5Å; C492-G496 PolarHBondContact O-N 3.1Å; C492-K497 PolarHBondContact N-O 2.91Å; C492-F499 HydrophobicContact CB-CE2 4.25Å; C492-L505 HydrophobicContact CB-CD1 3.63Å; C492-H508 WeakPolarHBondContact CB-NE2 3.38Å; C492-H508 PolarHBondContact SG-NE2 3.43Å; C492-M509 VanDerWaalsContact SG-SD 3.6Å
493	L	47.4	Very low	53.7	Low	153 Å²	153	82.5 Å²	82.5	80%	0.801	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	174.1	-66.2	166.6	0	0	0	112.5	F491	F491-L493 HydrophobicContact CE2-CD2 3.73Å; F491-L493 HydrophobicContact CZ-CD2 4.04Å; F491-L493 PolarHBondContact O-N 2.69Å
494	L	48.5	Very low	54.1	Low	109 Å²	109	81 Å²	81	57%	0.571	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.8	-177.4	-56.2	175	0	0	0	114.7	C492 M509 H512	C492-L494 PolarHBondContact O-N 3.35Å; C492-L494 PolarHBondContact SG-N 3.29Å; C492-L494 VanDerWaalsContact SG-N 3.44Å; L494-M509 HydrophobicContact CD1-CE 3.76Å; L494-M509 HydrophobicContact CD1-SD 4.46Å; L494-M509 HydrophobicContact CG-CE 4.38Å; L494-H512 VanDerWaalsContact CB-CE1 3.49Å; L494-H512 WeakPolarHBondContact CB-CE1 3.38Å; L494-H512 HydrophobicContact CD1-CB 3.66Å
495	C	45	Very low	54.5	Low	51 Å²	51	78.9 Å²	78.9	35%	0.345	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	13.1	175.9	75.7	0	0	0	0	116.8	C492 K497 H508	C492-C495 PolarHBondContact O-N 3.11Å; C495-K497 PolarHBondContact O-N 2.8Å; C495-K497 VanDerWaalsContact SG-CD 3.6Å; C495-K497 PolarHBondContact SG-NZ 2.97Å; C495-H508 PolarHBondContact SG-NE2 3.15Å
496	G	45.3	Very low	54.9	Low	53 Å²	53	83.3 Å²	83.3	55%	0.546	46%	0.457	S	S	.	.			trans	69.6	-2.3	174	0	0	0	0	0	116.4	C492 R498	C492-G496 WeakPolarHBondContact O-CA 3.5Å; C492-G496 PolarHBondContact O-N 3.1Å; G496-R498 PolarHBondContact O-N 2.91Å
497	K	48.8	Very low	55.6	Low	116 Å²	116	82.5 Å²	82.5	50%	0.504	45%	0.445	S	S	.	.			trans	-67.1	130.4	179.5	-68.2	176.1	-164.6	129.7	0	110.5	F491 C492 C495 F499	F491-K497 CarbonylContact C-O 3.4Å; F491-K497 VanDerWaalsContact CA-O 3.26Å; F491-K497 WeakPolarHBondContact CA-O 3.36Å; C492-K497 PolarHBondContact N-O 2.91Å; C495-K497 PolarHBondContact O-N 2.8Å; C495-K497 VanDerWaalsContact SG-CD 3.6Å; C495-K497 PolarHBondContact SG-NZ 2.97Å; K497-F499 HydrophobicContact CB-CE2 3.53Å; K497-F499 HydrophobicContact CB-CZ 3.74Å; K497-F499 HydrophobicContact CD-CZ 4.42Å; K497-F499 WeakPolarHBondContact O-CD2 3.34Å; K497-F499 WeakPolarHBondContact O-CE2 3.3Å
498	R	58.4	Low	56.4	Low	126 Å²	126	78.1 Å²	78.1	48%	0.475	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.2	176.5	-49.8	-166.7	75.9	141.4	0.1	110.3	M488 F491 G496	M488-R498 PolarHBondContact O-NH2 2.77Å; M488-R498 HydrophobicContact SD-CB 4.02Å; F491-R498 HydrophobicContact CB-CB 4.43Å; F491-R498 HydrophobicContact CB-CG 4.08Å; G496-R498 PolarHBondContact O-N 2.91Å
499	F	66.3	Low	56.6	Low	42 Å²	42	78.7 Å²	78.7	18%	0.184	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.2	-176.5	-65.8	-88.4	0	0	0	110.8	V490 C492 K497 A501 A504 L505 H508	V490-F499 PolarHBondContact O-N 3.14Å; C492-F499 HydrophobicContact CB-CE2 4.25Å; K497-F499 HydrophobicContact CB-CE2 3.53Å; K497-F499 HydrophobicContact CB-CZ 3.74Å; K497-F499 HydrophobicContact CD-CZ 4.42Å; K497-F499 WeakPolarHBondContact O-CD2 3.34Å; K497-F499 WeakPolarHBondContact O-CE2 3.3Å; F499-A501 PolarHBondContact O-N 2.97Å; F499-A504 HydrophobicContact CB-CB 4.32Å; F499-A504 HydrophobicContact CD1-CB 3.98Å; F499-L505 HydrophobicContact CB-CB 4.32Å; F499-L505 HydrophobicContact CD2-CB 4.1Å; F499-L505 HydrophobicContact CD2-CD1 3.91Å; F499-L505 HydrophobicContact CE2-CD1 4.04Å; F499-L505 HydrophobicContact CG-CB 4.25Å; F499-H508 HydrophobicContact CE1-CB 3.91Å; F499-H508 HydrophobicContact CE2-CB 4.25Å; F499-H508 AromaticContact CE2-CD2 3.2Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.4Å; F499-H508 AromaticContact CE2-CG 3.94Å; F499-H508 HydrophobicContact CZ-CB 3.64Å; F499-H508 AromaticContact CZ-CD2 3.1Å; F499-H508 WeakPolarHBondContact CZ-CD2 3.45Å; F499-H508 AromaticContact CZ-CG 3.4Å; F499-H508 VanDerWaalsContact CZ-CG 3.4Å; F499-H508 AromaticContact CZ-NE2 3.91Å
500	Q	58.1	Low	57.2	Low	143 Å²	143	77.5 Å²	77.5	67%	0.668	41%	0.406	S	S	*	.	S	Bend	trans	-80.4	-3.6	179.2	-67.8	169.1	-11.2	0	0	113.1	T482	T482-Q500 HydrophobicContact CG2-CG 4.24Å; T482-Q500 VanDerWaalsContact CG2-NE2 3.25Å
501	A	68.3	Low	57.4	Low	40 Å²	40	79.2 Å²	79.2	33%	0.331	42%	0.417	S	S	.	.	S	Bend	trans	-155.6	146.8	179	0	0	0	0	0	111	F499 S503 A504 L505	F499-A501 PolarHBondContact O-N 2.97Å; A501-S503 VanDerWaalsContact C-N 3.31Å; A501-S503 PolarHBondContact O-N 3.23Å; A501-A504 HydrophobicContact CB-CB 4.34Å; A501-A504 WeakPolarHBondContact O-CB 3.43Å; A501-A504 PolarHBondContact O-N 3.43Å; A501-A504 VanDerWaalsContact O-N 3.08Å; A501-L505 PolarHBondContact O-N 3.47Å; A501-L505 VanDerWaalsContact O-N 3.13Å
502	Q	59.9	Low	57.6	Low	141 Å²	141	78.3 Å²	78.3	66%	0.659	41%	0.413	S	S	*	.	H	α-helix	trans	-63.1	-35.5	177.4	-172.7	173.3	-10.6	0	0	112.9	V490 A504 L505 Q506	V490-Q502 HydrophobicContact CG2-CB 4.35Å; Q502-A504 VanDerWaalsContact C-N 3.28Å; Q502-A504 PolarHBondContact O-N 2.95Å; Q502-L505 PolarHBondContact O-N 3.47Å; Q502-Q506 WeakPolarHBondContact O-CB 3.35Å; Q502-Q506 PolarHBondContact O-N 2.93Å
503	S	67	Low	58.1	Low	89 Å²	89	81.7 Å²	81.7	62%	0.622	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-33.8	172.6	52.6	0	0	0	0	113	A501 Q506 Q507	A501-S503 VanDerWaalsContact C-N 3.31Å; A501-S503 PolarHBondContact O-N 3.23Å; S503-Q506 PolarHBondContact O-N 3.44Å; S503-Q507 WeakPolarHBondContact O-CB 3.2Å; S503-Q507 PolarHBondContact O-N 3.27Å
504	A	66.1	Low	58.4	Low	36 Å²	36	75.9 Å²	75.9	30%	0.298	42%	0.418	S	S	.	.	H	α-helix	trans	-75.5	-32.8	176	0	0	0	0	0	112.4	F499 A501 Q502 H508	F499-A504 HydrophobicContact CB-CB 4.32Å; F499-A504 HydrophobicContact CD1-CB 3.98Å; A501-A504 HydrophobicContact CB-CB 4.34Å; A501-A504 WeakPolarHBondContact O-CB 3.43Å; A501-A504 PolarHBondContact O-N 3.43Å; A501-A504 VanDerWaalsContact O-N 3.08Å; Q502-A504 VanDerWaalsContact C-N 3.28Å; Q502-A504 PolarHBondContact O-N 2.95Å; A504-H508 WeakPolarHBondContact O-CB 3.42Å; A504-H508 PolarHBondContact O-N 2.83Å
505	L	63.1	Low	58.7	Low	28 Å²	28	76.4 Å²	76.4	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-65.3	-46.1	165.6	174.3	63.5	0	0	0	110.6	V490 C492 F499 A501 Q502 Q507 H508 M509	V490-L505 HydrophobicContact CG1-CB 3.46Å; V490-L505 VanDerWaalsContact CG1-CB 3.46Å; V490-L505 HydrophobicContact CG1-CD2 3.25Å; V490-L505 HydrophobicContact CG1-CG 3.92Å; C492-L505 HydrophobicContact CB-CD1 3.63Å; F499-L505 HydrophobicContact CB-CB 4.32Å; F499-L505 HydrophobicContact CD2-CB 4.1Å; F499-L505 HydrophobicContact CD2-CD1 3.91Å; F499-L505 HydrophobicContact CE2-CD1 4.04Å; F499-L505 HydrophobicContact CG-CB 4.25Å; A501-L505 PolarHBondContact O-N 3.47Å; A501-L505 VanDerWaalsContact O-N 3.13Å; Q502-L505 PolarHBondContact O-N 3.47Å; L505-Q507 PolarHBondContact O-N 3.1Å; L505-H508 CarbonylContact O-C 3.57Å; L505-H508 VanDerWaalsContact O-CA 3.31Å; L505-H508 WeakPolarHBondContact O-CA 3.26Å; L505-H508 WeakPolarHBondContact O-CB 3.32Å; L505-H508 PolarHBondContact O-N 2.91Å; L505-M509 HydrophobicContact CD1-CG 3.88Å; L505-M509 HydrophobicContact CD1-SD 4.03Å; L505-M509 HydrophobicContact CG-CG 3.97Å; L505-M509 WeakPolarHBondContact O-CG 3.46Å; L505-M509 PolarHBondContact O-N 2.88Å
506	Q	61.9	Low	58.9	Low	124 Å²	124	80.7 Å²	80.7	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-62.8	-44.1	-175.5	-165	165	3.2	0	0	111.3	Q502 S503 H508 M509 E510	Q502-Q506 WeakPolarHBondContact O-CB 3.35Å; Q502-Q506 PolarHBondContact O-N 2.93Å; S503-Q506 PolarHBondContact O-N 3.44Å; Q506-H508 PolarHBondContact O-N 3.44Å; Q506-M509 PolarHBondContact O-N 3.21Å; Q506-M509 VanDerWaalsContact O-N 3.1Å; Q506-E510 WeakPolarHBondContact O-CG 3.31Å; Q506-E510 PolarHBondContact O-N 2.98Å
507	Q	62.3	Low	59.6	Low	107 Å²	107	79.7 Å²	79.7	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-59.2	-30	170.1	-170.9	-176.8	5.5	0	0	112.9	S503 L505 E510	S503-Q507 WeakPolarHBondContact O-CB 3.2Å; S503-Q507 PolarHBondContact O-N 3.27Å; L505-Q507 PolarHBondContact O-N 3.1Å; Q507-E510 WeakPolarHBondContact CA-OE2 3.41Å
508	H	64.6	Low	60.3	Low	21 Å²	21	78.7 Å²	78.7	10%	0.097	41%	0.414	C	S	.	.	H	α-helix	trans	-79.2	-33.6	174.4	171.7	40.4	0	0	0	113.1	C492 C495 F499 A504 L505 Q506 E510 V511 H512	C492-H508 WeakPolarHBondContact CB-NE2 3.38Å; C492-H508 PolarHBondContact SG-NE2 3.43Å; C495-H508 PolarHBondContact SG-NE2 3.15Å; F499-H508 HydrophobicContact CE1-CB 3.91Å; F499-H508 HydrophobicContact CE2-CB 4.25Å; F499-H508 AromaticContact CE2-CD2 3.2Å; F499-H508 WeakPolarHBondContact CE2-CD2 3.4Å; F499-H508 AromaticContact CE2-CG 3.94Å; F499-H508 HydrophobicContact CZ-CB 3.64Å; F499-H508 AromaticContact CZ-CD2 3.1Å; F499-H508 WeakPolarHBondContact CZ-CD2 3.45Å; F499-H508 AromaticContact CZ-CG 3.4Å; F499-H508 VanDerWaalsContact CZ-CG 3.4Å; F499-H508 AromaticContact CZ-NE2 3.91Å; A504-H508 WeakPolarHBondContact O-CB 3.42Å; A504-H508 PolarHBondContact O-N 2.83Å; L505-H508 CarbonylContact O-C 3.57Å; L505-H508 VanDerWaalsContact O-CA 3.31Å; L505-H508 WeakPolarHBondContact O-CA 3.26Å; L505-H508 WeakPolarHBondContact O-CB 3.32Å; L505-H508 PolarHBondContact O-N 2.91Å; Q506-H508 PolarHBondContact O-N 3.44Å; H508-E510 VanDerWaalsContact C-N 3.27Å; H508-E510 PolarHBondContact O-N 3.3Å; H508-V511 WeakPolarHBondContact O-CA 3.5Å; H508-V511 WeakPolarHBondContact O-CB 3.34Å; H508-V511 PolarHBondContact O-N 2.57Å; H508-H512 AromaticContact CE1-CD2 3.43Å; H508-H512 PolarHBondContact CE1-CD2 3.07Å; H508-H512 VanDerWaalsContact CE1-CD2 3.43Å; H508-H512 AromaticContact CE1-NE2 3.26Å; H508-H512 PolarHBondContact CE1-NE2 3.4Å; H508-H512 VanDerWaalsContact CE1-NE2 3.26Å; H508-H512 AromaticContact NE2-CD2 3.8Å; H508-H512 AromaticContact NE2-NE2 3.53Å; H508-H512 PolarHBondContact O-N 3.25Å
509	M	56.9	Low	60.8	Low	70 Å²	70	77.2 Å²	77.2	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-32.1	172.7	-66.5	-60.9	-68.5	0	0	111.2	C492 L494 L505 Q506 V511 H512 A513	C492-M509 VanDerWaalsContact SG-SD 3.6Å; L494-M509 HydrophobicContact CD1-CE 3.76Å; L494-M509 HydrophobicContact CD1-SD 4.46Å; L494-M509 HydrophobicContact CG-CE 4.38Å; L505-M509 HydrophobicContact CD1-CG 3.88Å; L505-M509 HydrophobicContact CD1-SD 4.03Å; L505-M509 HydrophobicContact CG-CG 3.97Å; L505-M509 WeakPolarHBondContact O-CG 3.46Å; L505-M509 PolarHBondContact O-N 2.88Å; Q506-M509 PolarHBondContact O-N 3.21Å; Q506-M509 VanDerWaalsContact O-N 3.1Å; M509-V511 PolarHBondContact O-N 3.46Å; M509-V511 VanDerWaalsContact O-N 3.14Å; M509-H512 WeakPolarHBondContact O-CA 3.48Å; M509-H512 PolarHBondContact O-N 2.84Å; M509-A513 PolarHBondContact O-N 3.4Å
510	E	63.5	Low	61.2	Low	46 Å²	46	75.2 Å²	75.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-59.7	-19.4	168.8	-64.1	170.3	155.5	0	0	113.5	Q506 Q507 H508 G514 V515 R516	Q506-E510 WeakPolarHBondContact O-CG 3.31Å; Q506-E510 PolarHBondContact O-N 2.98Å; Q507-E510 WeakPolarHBondContact CA-OE2 3.41Å; H508-E510 VanDerWaalsContact C-N 3.27Å; H508-E510 PolarHBondContact O-N 3.3Å; E510-G514 CarbonylContact O-C 3.58Å; E510-G514 PolarHBondContact O-N 3.44Å; E510-V515 PolarHBondContact O-N 3.48Å; E510-R516 HydrophobicContact CB-CB 4.07Å; E510-R516 HydrophobicContact CB-CG 4.37Å; E510-R516 HydrophobicContact CG-CG 4.37Å; E510-R516 WeakPolarHBondContact OE1-CD 3.43Å; E510-R516 IonicContact OE1-CZ 3.95Å; E510-R516 IonicContact OE1-NE 2.75Å; E510-R516 IonicContact OE1-NH1 3.39Å; E510-R516 PolarHBondContact OE1-NH1 3.11Å; E510-R516 VanDerWaalsContact OE2-CD 3.25Å; E510-R516 WeakPolarHBondContact OE2-CD 3.5Å
511	V	58.2	Low	61.9	Low	71 Å²	71	73.3 Å²	73.3	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-82.1	-31.4	172	-172	0	0	0	0	111.6	H508 M509 P528	H508-V511 WeakPolarHBondContact O-CA 3.5Å; H508-V511 WeakPolarHBondContact O-CB 3.34Å; H508-V511 PolarHBondContact O-N 2.57Å; M509-V511 PolarHBondContact O-N 3.46Å; M509-V511 VanDerWaalsContact O-N 3.14Å; V511-P528 HydrophobicContact CG2-CB 3.99Å
512	H	53	Low	62.3	Low	77 Å²	77	76.8 Å²	76.8	36%	0.356	42%	0.417	S	S	.	.	H	α-helix	trans	-76.1	-41.7	174	-80	-85.5	0	0	0	111.9	L494 H508 M509 G514	L494-H512 VanDerWaalsContact CB-CE1 3.49Å; L494-H512 WeakPolarHBondContact CB-CE1 3.38Å; L494-H512 HydrophobicContact CD1-CB 3.66Å; H508-H512 AromaticContact CE1-CD2 3.43Å; H508-H512 PolarHBondContact CE1-CD2 3.07Å; H508-H512 VanDerWaalsContact CE1-CD2 3.43Å; H508-H512 AromaticContact CE1-NE2 3.26Å; H508-H512 PolarHBondContact CE1-NE2 3.4Å; H508-H512 VanDerWaalsContact CE1-NE2 3.26Å; H508-H512 AromaticContact NE2-CD2 3.8Å; H508-H512 AromaticContact NE2-NE2 3.53Å; H508-H512 PolarHBondContact O-N 3.25Å; M509-H512 WeakPolarHBondContact O-CA 3.48Å; M509-H512 PolarHBondContact O-N 2.84Å; H512-G514 PolarHBondContact O-N 3.42Å
513	A	56.5	Low	63.1	Low	72 Å²	72	72.2 Å²	72.2	60%	0.595	40%	0.4	S	S	*	.	S	Bend	trans	-75.7	-8.5	174.8	0	0	0	0	0	113.5	M509 V515	M509-A513 PolarHBondContact O-N 3.4Å; A513-V515 HydrophobicContact CB-CG2 3.95Å; A513-V515 PolarHBondContact O-N 3.38Å
514	G	55.1	Low	63.2	Low	31 Å²	31	74 Å²	74	32%	0.32	40%	0.403	S	S	.	.			trans	71.2	-20.6	-177.9	0	0	0	0	0	115.9	E510 H512 R516 S517	E510-G514 CarbonylContact O-C 3.58Å; E510-G514 PolarHBondContact O-N 3.44Å; H512-G514 PolarHBondContact O-N 3.42Å; G514-R516 PolarHBondContact O-N 3.34Å; G514-S517 WeakPolarHBondContact O-CB 3.36Å; G514-S517 PolarHBondContact O-N 2.68Å; G514-S517 PolarHBondContact O-OG 2.77Å
515	V	53.7	Low	63.4	Low	121 Å²	121	80.1 Å²	80.1	73%	0.733	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.7	-171.7	-179.9	0	0	0	0	114.8	E510 A513	E510-V515 PolarHBondContact O-N 3.48Å; A513-V515 HydrophobicContact CB-CG2 3.95Å; A513-V515 PolarHBondContact O-N 3.38Å
516	R	50.4	Low	63.6	Low	140 Å²	140	83.2 Å²	83.2	53%	0.528	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	30.1	176.3	-57.7	-179.6	113.9	158.5	4.9	114	E510 G514 Y518	E510-R516 HydrophobicContact CB-CB 4.07Å; E510-R516 HydrophobicContact CB-CG 4.37Å; E510-R516 HydrophobicContact CG-CG 4.37Å; E510-R516 WeakPolarHBondContact OE1-CD 3.43Å; E510-R516 IonicContact OE1-CZ 3.95Å; E510-R516 IonicContact OE1-NE 2.75Å; E510-R516 IonicContact OE1-NH1 3.39Å; E510-R516 PolarHBondContact OE1-NH1 3.11Å; E510-R516 VanDerWaalsContact OE2-CD 3.25Å; E510-R516 WeakPolarHBondContact OE2-CD 3.5Å; G514-R516 PolarHBondContact O-N 3.34Å; R516-Y518 WeakPolarHBondContact O-CD2 3.45Å; R516-Y518 PolarHBondContact O-N 3.18Å
517	S	58.9	Low	64.1	Low	33 Å²	33	79.2 Å²	79.2	23%	0.231	42%	0.419	C	S	.	.			trans	-69.3	113.6	163.6	63.9	0	0	0	0	110.2	G514 I519	G514-S517 WeakPolarHBondContact O-CB 3.36Å; G514-S517 PolarHBondContact O-N 2.68Å; G514-S517 PolarHBondContact O-OG 2.77Å; S517-I519 PolarHBondContact O-N 3.45Å; S517-I519 VanDerWaalsContact O-N 3.1Å
518	Y	64	Low	64.3	Low	95 Å²	95	77.8 Å²	77.8	37%	0.373	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	99.4	172.9	-74.5	-92.5	0	0	0	108.3	R516 F527 H530 L533	R516-Y518 WeakPolarHBondContact O-CD2 3.45Å; R516-Y518 PolarHBondContact O-N 3.18Å; Y518-F527 PolarHBondContact N-O 3.11Å; Y518-F527 WeakPolarHBondContact O-CD2 3.31Å; Y518-F527 PolarHBondContact O-N 3.13Å; Y518-H530 HydrophobicContact CD1-CB 3.91Å; Y518-H530 VanDerWaalsContact CD2-N 3.35Å; Y518-H530 HydrophobicContact CE1-CB 3.53Å; Y518-H530 HydrophobicContact CE2-CB 4.37Å; Y518-H530 HydrophobicContact CG-CB 4.46Å; Y518-L533 HydrophobicContact CD1-CD2 4.44Å
519	I	68.8	Low	64.6	Low	94 Å²	94	78.1 Å²	78.1	48%	0.482	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.1	-176.9	-56.4	175.2	0	0	0	110.2	S517 N524 R525 T526	S517-I519 PolarHBondContact O-N 3.45Å; S517-I519 VanDerWaalsContact O-N 3.1Å; I519-N524 HydrophobicContact CG2-CB 4.49Å; I519-R525 WeakPolarHBondContact CA-O 3.11Å; I519-T526 HydrophobicContact CG1-CG2 4.21Å
520	C	75.9	Confident	65.3	Low	0 Å²	0	80 Å²	80	0%	0	43%	0.432	C	S	.	.			trans	-80.2	116.6	168.6	-178.1	0	0	0	0	111.2	E522 C523 N524 R525 F527 L533 H536 H540	C520-E522 PolarHBondContact O-N 2.98Å; C520-E522 VanDerWaalsContact O-N 3.11Å; C520-C523 PolarHBondContact O-N 3.29Å; C520-N524 VanDerWaalsContact O-CA 3.25Å; C520-N524 WeakPolarHBondContact O-CA 3.34Å; C520-N524 PolarHBondContact O-N 3.14Å; C520-R525 PolarHBondContact N-O 2.83Å; C520-F527 HydrophobicContact CB-CE2 4.08Å; C520-L533 HydrophobicContact CB-CD1 3.66Å; C520-H536 VanDerWaalsContact SG-CD2 3.54Å; C520-H536 PolarHBondContact SG-NE2 3.13Å; C520-H540 VanDerWaalsContact SG-CD2 3.54Å; C520-H540 PolarHBondContact SG-NE2 3.02Å
521	S	72.5	Confident	65.9	Low	103 Å²	103	83 Å²	83	72%	0.72	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.1	-179.3	49.3	0	0	0	0	115.3
522	E	75.9	Confident	66.8	Low	114 Å²	114	80.1 Å²	80.1	53%	0.533	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-18.3	-177.1	-65.3	-178.3	-104.9	0	0	113.8	C520 H540	C520-E522 PolarHBondContact O-N 2.98Å; C520-E522 VanDerWaalsContact O-N 3.11Å; E522-H540 VanDerWaalsContact OE1-CB 3.26Å; E522-H540 WeakPolarHBondContact OE1-CB 3.41Å; E522-H540 IonicContact OE1-CD2 2.77Å; E522-H540 IonicContact OE1-CG 3.33Å; E522-H540 WeakPolarHBondContact OE2-CB 3.35Å; E522-H540 IonicContact OE2-CG 3.13Å
523	C	76.2	Confident	68.1	Low	44 Å²	44	77.4 Å²	77.4	30%	0.297	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	16	-178.8	78.1	0	0	0	0	115	C520 R525 H536 H540	C520-C523 PolarHBondContact O-N 3.29Å; C523-R525 PolarHBondContact O-N 3.31Å; C523-H536 PolarHBondContact SG-NE2 3.28Å; C523-H540 WeakPolarHBondContact CB-CE1 3.46Å; C523-H540 WeakPolarHBondContact CB-NE2 3.38Å; C523-H540 PolarHBondContact SG-CE1 3.41Å; C523-H540 PolarHBondContact SG-NE2 3.01Å
524	N	70.6	Confident	69.2	Low	127 Å²	127	80.3 Å²	80.3	68%	0.679	42%	0.424	S	S	*	.			trans	48	23.7	178.4	-64.2	-10.5	0	0	0	116.1	I519 C520	I519-N524 HydrophobicContact CG2-CB 4.49Å; C520-N524 VanDerWaalsContact O-CA 3.25Å; C520-N524 WeakPolarHBondContact O-CA 3.34Å; C520-N524 PolarHBondContact O-N 3.14Å
525	R	69	Low	70.3	Confident	165 Å²	165	84.5 Å²	84.5	62%	0.623	43%	0.43	S	S	*	.			trans	-79	133.1	176.3	-77.1	-177.4	176.7	-170.1	-1.9	110.6	I519 C520 C523 F527	I519-R525 WeakPolarHBondContact CA-O 3.11Å; C520-R525 PolarHBondContact N-O 2.83Å; C523-R525 PolarHBondContact O-N 3.31Å; R525-F527 HydrophobicContact CB-CE2 3.56Å; R525-F527 HydrophobicContact CB-CZ 3.86Å; R525-F527 VanDerWaalsContact O-CD2 3.28Å; R525-F527 WeakPolarHBondContact O-CD2 3.34Å; R525-F527 VanDerWaalsContact O-CE2 3.27Å; R525-F527 WeakPolarHBondContact O-CE2 3.27Å
526	T	67.7	Low	71.6	Confident	93 Å²	93	79.6 Å²	79.6	57%	0.571	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.9	177.6	45	0	0	0	0	111.2	I519	I519-T526 HydrophobicContact CG1-CG2 4.21Å
527	F	73.1	Confident	73	Confident	39 Å²	39	75.4 Å²	75.4	17%	0.171	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.8	177.2	-66	-85	0	0	0	111.7	Y518 C520 R525 S529 A532 L533 H536	Y518-F527 PolarHBondContact N-O 3.11Å; Y518-F527 WeakPolarHBondContact O-CD2 3.31Å; Y518-F527 PolarHBondContact O-N 3.13Å; C520-F527 HydrophobicContact CB-CE2 4.08Å; R525-F527 HydrophobicContact CB-CE2 3.56Å; R525-F527 HydrophobicContact CB-CZ 3.86Å; R525-F527 VanDerWaalsContact O-CD2 3.28Å; R525-F527 WeakPolarHBondContact O-CD2 3.34Å; R525-F527 VanDerWaalsContact O-CE2 3.27Å; R525-F527 WeakPolarHBondContact O-CE2 3.27Å; F527-S529 PolarHBondContact O-N 2.96Å; F527-A532 HydrophobicContact CB-CB 4.11Å; F527-A532 HydrophobicContact CD1-CB 4.22Å; F527-L533 HydrophobicContact CB-CB 4.19Å; F527-L533 HydrophobicContact CD2-CB 4.31Å; F527-L533 HydrophobicContact CD2-CD1 3.92Å; F527-L533 HydrophobicContact CE2-CD1 4.32Å; F527-L533 HydrophobicContact CG-CB 4.39Å; F527-H536 HydrophobicContact CD1-CB 4.44Å; F527-H536 HydrophobicContact CE1-CB 3.78Å; F527-H536 AromaticContact CE1-CG 3.95Å; F527-H536 HydrophobicContact CE2-CB 4.01Å; F527-H536 AromaticContact CE2-CD2 3.1Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.49Å; F527-H536 AromaticContact CE2-CG 3.63Å; F527-H536 AromaticContact CE2-NE2 3.81Å; F527-H536 HydrophobicContact CZ-CB 3.55Å; F527-H536 AromaticContact CZ-CD2 3.19Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.42Å; F527-H536 AromaticContact CZ-CG 3.22Å; F527-H536 AromaticContact CZ-ND1 3.9Å; F527-H536 AromaticContact CZ-NE2 3.82Å
528	P	65.3	Low	74.1	Confident	77 Å²	77	76.5 Å²	76.5	50%	0.5	39%	0.386	S	S	.	.	S	Bend	trans	-77.1	2.2	-176.2	32.9	-37.9	0	0	0	114.2	V511	V511-P528 HydrophobicContact CG2-CB 3.99Å
529	S	71	Confident	74.8	Confident	29 Å²	29	74.8 Å²	74.8	20%	0.203	39%	0.388	C	S	.	.	S	Bend	trans	-159.5	154.4	174.2	75.1	0	0	0	0	112.3	F527 T531 A532 L533	F527-S529 PolarHBondContact O-N 2.96Å; S529-T531 PolarHBondContact O-N 3.24Å; S529-T531 PolarHBondContact OG-OG1 3.47Å; S529-A532 PolarHBondContact O-N 2.95Å; S529-A532 VanDerWaalsContact O-N 3.1Å; S529-A532 WeakPolarHBondContact OG-CB 3.47Å; S529-A532 PolarHBondContact OG-N 3.32Å; S529-L533 PolarHBondContact O-N 3.05Å
530	H	71.8	Confident	75.2	Confident	110 Å²	110	74.1 Å²	74.1	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-35.1	171.8	-174.1	-134.5	0	0	0	112.4	Y518 L533 K534	Y518-H530 HydrophobicContact CD1-CB 3.91Å; Y518-H530 VanDerWaalsContact CD2-N 3.35Å; Y518-H530 HydrophobicContact CE1-CB 3.53Å; Y518-H530 HydrophobicContact CE2-CB 4.37Å; Y518-H530 HydrophobicContact CG-CB 4.46Å; H530-L533 PolarHBondContact O-N 3.42Å; H530-K534 WeakPolarHBondContact O-CB 3.39Å; H530-K534 PolarHBondContact O-N 3.12Å
531	T	77.4	Confident	75.2	Confident	108 Å²	108	79 Å²	79	66%	0.663	41%	0.412	S	S	*	.	H	α-helix	trans	-68.9	-34.6	176.8	51.6	0	0	0	0	112.4	S529 R535	S529-T531 PolarHBondContact O-N 3.24Å; S529-T531 PolarHBondContact OG-OG1 3.47Å; T531-R535 WeakPolarHBondContact O-CB 3.46Å; T531-R535 PolarHBondContact O-N 3.01Å; T531-R535 VanDerWaalsContact O-N 3.11Å
532	A	76.4	Confident	75.4	Confident	11 Å²	11	76 Å²	76	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-70.6	-41.6	173	0	0	0	0	0	111.7	F527 S529 H536	F527-A532 HydrophobicContact CB-CB 4.11Å; F527-A532 HydrophobicContact CD1-CB 4.22Å; S529-A532 PolarHBondContact O-N 2.95Å; S529-A532 VanDerWaalsContact O-N 3.1Å; S529-A532 WeakPolarHBondContact OG-CB 3.47Å; S529-A532 PolarHBondContact OG-N 3.32Å; A532-H536 WeakPolarHBondContact O-CB 3.48Å; A532-H536 PolarHBondContact O-N 3.47Å
533	L	79.5	Confident	75.5	Confident	19 Å²	19	73.6 Å²	73.6	10%	0.099	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-51.3	172.7	173.9	60.5	0	0	0	111.4	Y518 C520 F527 S529 H530 R535 H536 L537	Y518-L533 HydrophobicContact CD1-CD2 4.44Å; C520-L533 HydrophobicContact CB-CD1 3.66Å; F527-L533 HydrophobicContact CB-CB 4.19Å; F527-L533 HydrophobicContact CD2-CB 4.31Å; F527-L533 HydrophobicContact CD2-CD1 3.92Å; F527-L533 HydrophobicContact CE2-CD1 4.32Å; F527-L533 HydrophobicContact CG-CB 4.39Å; S529-L533 PolarHBondContact O-N 3.05Å; H530-L533 PolarHBondContact O-N 3.42Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.33Å; L533-H536 CarbonylContact O-C 3.46Å; L533-H536 WeakPolarHBondContact O-CA 3.5Å; L533-H536 WeakPolarHBondContact O-CB 3.42Å; L533-H536 PolarHBondContact O-N 3.24Å; L533-L537 HydrophobicContact CD1-CD1 4.25Å; L533-L537 HydrophobicContact CD1-CD2 4.24Å; L533-L537 HydrophobicContact CD1-CG 3.94Å; L533-L537 HydrophobicContact CG-CD1 4.06Å; L533-L537 HydrophobicContact CG-CG 4.24Å; L533-L537 WeakPolarHBondContact O-CG 3.24Å; L533-L537 PolarHBondContact O-N 3.33Å
534	K	79.6	Confident	75.7	Confident	134 Å²	134	75.9 Å²	75.9	58%	0.583	40%	0.395	S	S	*	.	H	α-helix	trans	-59.3	-37.3	-179.6	-173.2	168.1	-176.9	170.6	0	112.3	H530	H530-K534 WeakPolarHBondContact O-CB 3.39Å; H530-K534 PolarHBondContact O-N 3.12Å
535	R	78.7	Confident	76.2	Confident	119 Å²	119	73 Å²	73	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-37.4	170.2	169.9	172.2	60.9	-167.7	0.1	112.9	T531 L533 R538 R556 D557	T531-R535 WeakPolarHBondContact O-CB 3.46Å; T531-R535 PolarHBondContact O-N 3.01Å; T531-R535 VanDerWaalsContact O-N 3.11Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.33Å; R535-R538 WeakPolarHBondContact O-CB 3.27Å; R535-R556 WeakPolarHBondContact O-CD 3.48Å; R535-D557 WeakPolarHBondContact CD-OD1 3.39Å; R535-D557 WeakPolarHBondContact CG-OD1 3.42Å
536	H	80.6	Confident	76.8	Confident	18 Å²	18	68.8 Å²	68.8	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-73.2	-38.5	177.3	167.2	54.3	0	0	0	112.9	C520 C523 F527 A532 L533 R538 S539 H540	C520-H536 VanDerWaalsContact SG-CD2 3.54Å; C520-H536 PolarHBondContact SG-NE2 3.13Å; C523-H536 PolarHBondContact SG-NE2 3.28Å; F527-H536 HydrophobicContact CD1-CB 4.44Å; F527-H536 HydrophobicContact CE1-CB 3.78Å; F527-H536 AromaticContact CE1-CG 3.95Å; F527-H536 HydrophobicContact CE2-CB 4.01Å; F527-H536 AromaticContact CE2-CD2 3.1Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.49Å; F527-H536 AromaticContact CE2-CG 3.63Å; F527-H536 AromaticContact CE2-NE2 3.81Å; F527-H536 HydrophobicContact CZ-CB 3.55Å; F527-H536 AromaticContact CZ-CD2 3.19Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.42Å; F527-H536 AromaticContact CZ-CG 3.22Å; F527-H536 AromaticContact CZ-ND1 3.9Å; F527-H536 AromaticContact CZ-NE2 3.82Å; A532-H536 WeakPolarHBondContact O-CB 3.48Å; A532-H536 PolarHBondContact O-N 3.47Å; L533-H536 CarbonylContact O-C 3.46Å; L533-H536 WeakPolarHBondContact O-CA 3.5Å; L533-H536 WeakPolarHBondContact O-CB 3.42Å; L533-H536 PolarHBondContact O-N 3.24Å; H536-R538 PolarHBondContact O-N 3.38Å; H536-R538 VanDerWaalsContact O-N 3.11Å; H536-S539 PolarHBondContact ND1-OG 2.93Å; H536-S539 PolarHBondContact O-N 3.44Å; H536-S539 PolarHBondContact O-OG 3.02Å; H536-H540 AromaticContact CD2-NE2 3.72Å; H536-H540 AromaticContact CE1-NE2 3.16Å; H536-H540 PolarHBondContact CE1-NE2 3.12Å; H536-H540 AromaticContact NE2-CD2 3.88Å; H536-H540 AromaticContact NE2-NE2 2.65Å; H536-H540 PolarHBondContact NE2-NE2 3.35Å
537	L	80.1	Confident	77.8	Confident	51 Å²	51	70 Å²	70	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-56	-30.5	176.5	-70.3	171.3	0	0	0	112.2	L533 S539 H540 T541	L533-L537 HydrophobicContact CD1-CD1 4.25Å; L533-L537 HydrophobicContact CD1-CD2 4.24Å; L533-L537 HydrophobicContact CD1-CG 3.94Å; L533-L537 HydrophobicContact CG-CD1 4.06Å; L533-L537 HydrophobicContact CG-CG 4.24Å; L533-L537 WeakPolarHBondContact O-CG 3.24Å; L533-L537 PolarHBondContact O-N 3.33Å; L537-S539 PolarHBondContact O-N 3.15Å; L537-H540 WeakPolarHBondContact O-CB 3.3Å; L537-H540 PolarHBondContact O-N 3.09Å; L537-T541 PolarHBondContact O-N 3.43Å; L537-T541 PolarHBondContact O-OG1 3.07Å
538	R	81.3	Confident	78.5	Confident	56 Å²	56	68.2 Å²	68.2	21%	0.211	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-23.5	171.6	-64.8	-171.7	165.8	144.9	2.7	115.6	R535 H536 H540 T541 G542 D543 R556	R535-R538 WeakPolarHBondContact O-CB 3.27Å; H536-R538 PolarHBondContact O-N 3.38Å; H536-R538 VanDerWaalsContact O-N 3.11Å; R538-H540 VanDerWaalsContact C-N 3.32Å; R538-T541 WeakPolarHBondContact CA-OG1 3.26Å; R538-G542 WeakPolarHBondContact O-CA 3.47Å; R538-G542 PolarHBondContact O-N 3.38Å; R538-G542 VanDerWaalsContact O-N 3.07Å; R538-D543 HydrophobicContact CB-CB 4.07Å; R538-D543 VanDerWaalsContact CD-OD2 3.27Å; R538-D543 WeakPolarHBondContact CD-OD2 3.19Å; R538-D543 HydrophobicContact CG-CB 3.9Å; R538-D543 WeakPolarHBondContact CG-OD2 3.24Å; R538-D543 IonicContact CZ-OD2 2.68Å; R538-D543 IonicContact NE-OD2 3.96Å; R538-D543 PolarHBondContact NE-OD2 2.9Å; R538-D543 IonicContact NH2-OD2 3.12Å; R538-D543 PolarHBondContact O-N 2.97Å; R538-D543 VanDerWaalsContact O-N 3.17Å; R538-R556 HydrophobicContact CB-CG 3.48Å; R538-R556 VanDerWaalsContact CB-CG 3.48Å; R538-R556 HydrophobicContact CG-CG 4.26Å; R538-R556 PolarHBondContact NH1-O 3.44Å
539	S	78.8	Confident	79.5	Confident	59 Å²	59	71.7 Å²	71.7	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-76.9	-17.3	171.5	32.2	0	0	0	0	113.9	H536 L537 R556	H536-S539 PolarHBondContact ND1-OG 2.93Å; H536-S539 PolarHBondContact O-N 3.44Å; H536-S539 PolarHBondContact O-OG 3.02Å; L537-S539 PolarHBondContact O-N 3.15Å; S539-R556 VanDerWaalsContact CB-NH1 3.29Å; S539-R556 PolarHBondContact OG-NH1 3.14Å
540	H	77.7	Confident	80	Confident	80 Å²	80	75.9 Å²	75.9	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-89	-47.3	173.7	-63.1	-54.6	0	0	0	110.7	C520 E522 C523 H536 L537 R538 G542	C520-H540 VanDerWaalsContact SG-CD2 3.54Å; C520-H540 PolarHBondContact SG-NE2 3.02Å; E522-H540 VanDerWaalsContact OE1-CB 3.26Å; E522-H540 WeakPolarHBondContact OE1-CB 3.41Å; E522-H540 IonicContact OE1-CD2 2.77Å; E522-H540 IonicContact OE1-CG 3.33Å; E522-H540 WeakPolarHBondContact OE2-CB 3.35Å; E522-H540 IonicContact OE2-CG 3.13Å; C523-H540 WeakPolarHBondContact CB-CE1 3.46Å; C523-H540 WeakPolarHBondContact CB-NE2 3.38Å; C523-H540 PolarHBondContact SG-CE1 3.41Å; C523-H540 PolarHBondContact SG-NE2 3.01Å; H536-H540 AromaticContact CD2-NE2 3.72Å; H536-H540 AromaticContact CE1-NE2 3.16Å; H536-H540 PolarHBondContact CE1-NE2 3.12Å; H536-H540 AromaticContact NE2-CD2 3.88Å; H536-H540 AromaticContact NE2-NE2 2.65Å; H536-H540 PolarHBondContact NE2-NE2 3.35Å; L537-H540 WeakPolarHBondContact O-CB 3.3Å; L537-H540 PolarHBondContact O-N 3.09Å; R538-H540 VanDerWaalsContact C-N 3.32Å; H540-G542 VanDerWaalsContact C-N 3.25Å; H540-G542 PolarHBondContact O-N 2.98Å
541	T	76.9	Confident	80.6	Confident	102 Å²	102	73.3 Å²	73.3	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-72.9	-13.6	177.2	62.3	0	0	0	0	114.5	L537 R538 D543	L537-T541 PolarHBondContact O-N 3.43Å; L537-T541 PolarHBondContact O-OG1 3.07Å; R538-T541 WeakPolarHBondContact CA-OG1 3.26Å; T541-D543 VanDerWaalsContact C-N 3.26Å; T541-D543 PolarHBondContact O-N 3.3Å; T541-D543 PolarHBondContact OG1-N 3.31Å
542	G	76.9	Confident	80.8	Confident	40 Å²	40	70 Å²	70	41%	0.412	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	20.2	-173.7	0	0	0	0	0	114.2	R538 H540 H544	R538-G542 WeakPolarHBondContact O-CA 3.47Å; R538-G542 PolarHBondContact O-N 3.38Å; R538-G542 VanDerWaalsContact O-N 3.07Å; H540-G542 VanDerWaalsContact C-N 3.25Å; H540-G542 PolarHBondContact O-N 2.98Å; G542-H544 PolarHBondContact O-N 3.01Å; G542-H544 PolarHBondContact O-ND1 3.38Å
543	D	77	Confident	81.1	Confident	65 Å²	65	71.6 Å²	71.6	35%	0.348	38%	0.375	S	S	.	.			trans	-69.6	113.3	176	173.7	33	0	0	0	111.3	R538 T541 P545	R538-D543 HydrophobicContact CB-CB 4.07Å; R538-D543 VanDerWaalsContact CD-OD2 3.27Å; R538-D543 WeakPolarHBondContact CD-OD2 3.19Å; R538-D543 HydrophobicContact CG-CB 3.9Å; R538-D543 WeakPolarHBondContact CG-OD2 3.24Å; R538-D543 IonicContact CZ-OD2 2.68Å; R538-D543 IonicContact NE-OD2 3.96Å; R538-D543 PolarHBondContact NE-OD2 2.9Å; R538-D543 IonicContact NH2-OD2 3.12Å; R538-D543 PolarHBondContact O-N 2.97Å; R538-D543 VanDerWaalsContact O-N 3.17Å; T541-D543 VanDerWaalsContact C-N 3.26Å; T541-D543 PolarHBondContact O-N 3.3Å; T541-D543 PolarHBondContact OG1-N 3.31Å; D543-P545 WeakPolarHBondContact O-CD 3.44Å; D543-P545 WeakPolarHBondContact OD1-CD 3.41Å
544	H	80.6	Confident	81.3	Confident	92 Å²	92	73.6 Å²	73.6	43%	0.426	39%	0.39	S	S	.	.			trans	-122.8	72.9	179.9	-66.2	85	0	0	0	110.5	G542 Y546 C554 F555	G542-H544 PolarHBondContact O-N 3.01Å; G542-H544 PolarHBondContact O-ND1 3.38Å; H544-Y546 PolarHBondContact O-N 3.25Å; H544-Y546 VanDerWaalsContact O-N 3.16Å; H544-C554 HydrophobicContact CB-CB 3.46Å; H544-C554 VanDerWaalsContact CB-CB 3.46Å; H544-C554 PolarHBondContact CD2-O 3.21Å; H544-C554 WeakPolarHBondContact O-CB 3.43Å; H544-F555 CarbonylContact C-O 3.59Å; H544-F555 WeakPolarHBondContact CA-O 3.47Å
545	P	80.4	Confident	81.4	Confident	65 Å²	65	69.3 Å²	69.3	42%	0.422	37%	0.371	S	S	.	.			trans	-80.6	5.6	-167.2	32.3	-33.9	0	0	0	114.5	D543	D543-P545 WeakPolarHBondContact O-CD 3.44Å; D543-P545 WeakPolarHBondContact OD1-CD 3.41Å
546	Y	83.2	Confident	81.4	Confident	78 Å²	78	67.2 Å²	67.2	31%	0.306	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	93	-179.7	-58	-77.9	0	0	0	110.9	H544 F555 R556 E558	H544-Y546 PolarHBondContact O-N 3.25Å; H544-Y546 VanDerWaalsContact O-N 3.16Å; Y546-F555 WeakPolarHBondContact CB-O 3.1Å; Y546-F555 PolarHBondContact N-O 2.96Å; Y546-F555 WeakPolarHBondContact O-CB 3.27Å; Y546-F555 PolarHBondContact O-N 2.88Å; Y546-R556 WeakPolarHBondContact CE2-O 3.33Å; Y546-E558 HydrophobicContact CD1-CB 3.99Å; Y546-E558 HydrophobicContact CD1-CG 4.3Å; Y546-E558 HydrophobicContact CE1-CB 3.77Å; Y546-E558 HydrophobicContact CE1-CG 4.25Å; Y546-E558 HydrophobicContact CE2-CB 4.43Å; Y546-E558 HydrophobicContact CG-CB 4.42Å
547	E	87.6	Confident	81.4	Confident	119 Å²	119	67.3 Å²	67.3	56%	0.556	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	147.8	179.1	-170.2	171.7	177	0	0	113	G552 L561	E547-G552 WeakPolarHBondContact OE1-CA 3.47Å; E547-L561 VanDerWaalsContact O-CD2 3.31Å; E547-L561 WeakPolarHBondContact O-CD2 3.28Å
548	C	88.1	Confident	81.5	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.2	172.4	-170.9	0	0	0	0	111.9	F550 C551 G552 S553 F555 L561 H564	C548-F550 PolarHBondContact O-N 3.31Å; C548-C551 PolarHBondContact O-N 3.27Å; C548-G552 PolarHBondContact O-N 3.37Å; C548-S553 WeakPolarHBondContact CB-O 3.46Å; C548-S553 PolarHBondContact N-O 3.26Å; C548-F555 HydrophobicContact CB-CE2 4.13Å; C548-L561 HydrophobicContact CB-CD1 3.55Å; C548-H564 PolarHBondContact SG-CD2 3.35Å; C548-H564 PolarHBondContact SG-NE2 2.97Å
549	E	86.4	Confident	81.6	Confident	150 Å²	150	71.3 Å²	71.3	70%	0.701	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	-30.1	174.9	-65.6	125	-131.1	0	0	115	K565	E549-K565 IonicContact OE1-NZ 3.82Å; E549-K565 PolarHBondContact OE1-NZ 3.25Å; E549-K565 IonicContact OE2-NZ 2.69Å; E549-K565 PolarHBondContact OE2-NZ 2.9Å
550	F	81.6	Confident	81.7	Confident	117 Å²	117	71.2 Å²	71.2	51%	0.513	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-19	-177.2	-62.2	-70.4	0	0	0	114.8	C548 K565 H568 T569	C548-F550 PolarHBondContact O-N 3.31Å; F550-K565 HydrophobicContact CD2-CG 4.35Å; F550-K565 HydrophobicContact CE2-CD 4.27Å; F550-K565 HydrophobicContact CE2-CG 4.33Å; F550-H568 HydrophobicContact CB-CB 4.11Å; F550-H568 HydrophobicContact CD1-CB 4.45Å; F550-H568 HydrophobicContact CD2-CB 3.88Å; F550-H568 AromaticContact CD2-CD2 3.87Å; F550-H568 HydrophobicContact CE2-CB 4.42Å; F550-H568 HydrophobicContact CG-CB 3.9Å; F550-H568 AromaticContact CG-CG 3.96Å; F550-T569 HydrophobicContact CZ-CG2 4.48Å
551	C	84.1	Confident	82.2	Confident	56 Å²	56	68.1 Å²	68.1	38%	0.378	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	14.5	-171.5	72.7	0	0	0	0	116.1	C548 S553 H564 H568	C548-C551 PolarHBondContact O-N 3.27Å; C551-S553 PolarHBondContact O-N 3.01Å; C551-S553 VanDerWaalsContact SG-CB 3.54Å; C551-S553 PolarHBondContact SG-OG 2.83Å; C551-H564 PolarHBondContact SG-NE2 3.04Å; C551-H568 PolarHBondContact SG-NE2 3.18Å; C551-H568 VanDerWaalsContact SG-NE2 3.38Å
552	G	81.8	Confident	82.6	Confident	40 Å²	40	69.7 Å²	69.7	41%	0.412	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	18	177.6	0	0	0	0	0	115.2	E547 C548	E547-G552 WeakPolarHBondContact OE1-CA 3.47Å; C548-G552 PolarHBondContact O-N 3.37Å
553	S	83.4	Confident	82.9	Confident	43 Å²	43	69.8 Å²	69.8	30%	0.301	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.3	-177.3	-70.4	0	0	0	0	109.8	C548 C551 F555	C548-S553 WeakPolarHBondContact CB-O 3.46Å; C548-S553 PolarHBondContact N-O 3.26Å; C551-S553 PolarHBondContact O-N 3.01Å; C551-S553 VanDerWaalsContact SG-CB 3.54Å; C551-S553 PolarHBondContact SG-OG 2.83Å; S553-F555 WeakPolarHBondContact O-CD2 3.21Å; S553-F555 WeakPolarHBondContact O-CE2 3.31Å
554	C	83.4	Confident	83.3	Confident	61 Å²	61	67.9 Å²	67.9	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.6	-177.2	-52	0	0	0	0	112	H544	H544-C554 HydrophobicContact CB-CB 3.46Å; H544-C554 VanDerWaalsContact CB-CB 3.46Å; H544-C554 PolarHBondContact CD2-O 3.21Å; H544-C554 WeakPolarHBondContact O-CB 3.43Å
555	F	81.9	Confident	83.6	Confident	44 Å²	44	65.9 Å²	65.9	19%	0.193	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.9	-178.3	-66	-87.6	0	0	0	111.7	H544 Y546 C548 S553 D557 L561 H564	H544-F555 CarbonylContact C-O 3.59Å; H544-F555 WeakPolarHBondContact CA-O 3.47Å; Y546-F555 WeakPolarHBondContact CB-O 3.1Å; Y546-F555 PolarHBondContact N-O 2.96Å; Y546-F555 WeakPolarHBondContact O-CB 3.27Å; Y546-F555 PolarHBondContact O-N 2.88Å; C548-F555 HydrophobicContact CB-CE2 4.13Å; S553-F555 WeakPolarHBondContact O-CD2 3.21Å; S553-F555 WeakPolarHBondContact O-CE2 3.31Å; F555-D557 VanDerWaalsContact C-N 3.33Å; F555-L561 HydrophobicContact CB-CB 4.13Å; F555-L561 HydrophobicContact CD2-CB 4.14Å; F555-L561 HydrophobicContact CD2-CD1 3.84Å; F555-L561 HydrophobicContact CE2-CD1 4.22Å; F555-L561 HydrophobicContact CG-CB 4.25Å; F555-H564 HydrophobicContact CE1-CB 3.97Å; F555-H564 HydrophobicContact CE2-CB 4.04Å; F555-H564 AromaticContact CE2-CD2 3.36Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.2Å; F555-H564 AromaticContact CE2-CG 3.63Å; F555-H564 AromaticContact CE2-NE2 3.89Å; F555-H564 HydrophobicContact CZ-CB 3.59Å; F555-H564 AromaticContact CZ-CD2 3.47Å; F555-H564 VanDerWaalsContact CZ-CD2 3.47Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.1Å; F555-H564 AromaticContact CZ-CE1 3.94Å; F555-H564 AromaticContact CZ-CG 3.24Å; F555-H564 AromaticContact CZ-ND1 3.56Å; F555-H564 AromaticContact CZ-NE2 3.91Å
556	R	78.5	Confident	83.9	Confident	76 Å²	76	64.8 Å²	64.8	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-73.1	-26.3	178.9	-167.6	179.3	68.9	-177.4	-10.6	113.8	R535 R538 S539 Y546	R535-R556 WeakPolarHBondContact O-CD 3.48Å; R538-R556 HydrophobicContact CB-CG 3.48Å; R538-R556 VanDerWaalsContact CB-CG 3.48Å; R538-R556 HydrophobicContact CG-CG 4.26Å; R538-R556 PolarHBondContact NH1-O 3.44Å; S539-R556 VanDerWaalsContact CB-NH1 3.29Å; S539-R556 PolarHBondContact OG-NH1 3.14Å; Y546-R556 WeakPolarHBondContact CE2-O 3.33Å
557	D	80.9	Confident	83.9	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.102	35%	0.346	C	S	.	.	S	Bend	trans	-141.3	128.8	-166	-70.7	-61.8	0	0	0	111.6	R535 F555 S559 T560 L561	R535-D557 WeakPolarHBondContact CD-OD1 3.39Å; R535-D557 WeakPolarHBondContact CG-OD1 3.42Å; F555-D557 VanDerWaalsContact C-N 3.33Å; D557-S559 PolarHBondContact O-N 2.98Å; D557-T560 HydrophobicContact CB-CG2 4.02Å; D557-T560 WeakPolarHBondContact O-CA 3.38Å; D557-T560 PolarHBondContact O-N 2.9Å; D557-T560 PolarHBondContact O-OG1 2.99Å; D557-L561 PolarHBondContact O-N 3.39Å
558	E	81.9	Confident	83.7	Confident	119 Å²	119	64.2 Å²	64.2	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-55	-37.3	179.7	-164.9	-156.8	141.1	0	0	112.5	Y546 T560 L561 K562	Y546-E558 HydrophobicContact CD1-CB 3.99Å; Y546-E558 HydrophobicContact CD1-CG 4.3Å; Y546-E558 HydrophobicContact CE1-CB 3.77Å; Y546-E558 HydrophobicContact CE1-CG 4.25Å; Y546-E558 HydrophobicContact CE2-CB 4.43Å; Y546-E558 HydrophobicContact CG-CB 4.42Å; E558-T560 VanDerWaalsContact C-N 3.27Å; E558-T560 PolarHBondContact O-N 3.23Å; E558-L561 PolarHBondContact O-N 3.13Å; E558-K562 WeakPolarHBondContact O-CB 3.48Å; E558-K562 PolarHBondContact O-N 3.4Å
559	S	81.9	Confident	83.5	Confident	73 Å²	73	67.5 Å²	67.5	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-31	176.1	58.7	0	0	0	0	112.9	D557 S563	D557-S559 PolarHBondContact O-N 2.98Å; S559-S563 VanDerWaalsContact O-CB 3.29Å; S559-S563 WeakPolarHBondContact O-CB 3.37Å; S559-S563 PolarHBondContact O-N 2.62Å; S559-S563 PolarHBondContact O-OG 3.15Å
560	T	82.6	Confident	83.4	Confident	57 Å²	57	62.6 Å²	62.6	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-78.1	-38.8	173.9	64.8	0	0	0	0	111.7	D557 E558 S563 H564	D557-T560 HydrophobicContact CB-CG2 4.02Å; D557-T560 WeakPolarHBondContact O-CA 3.38Å; D557-T560 PolarHBondContact O-N 2.9Å; D557-T560 PolarHBondContact O-OG1 2.99Å; E558-T560 VanDerWaalsContact C-N 3.27Å; E558-T560 PolarHBondContact O-N 3.23Å; T560-S563 WeakPolarHBondContact O-CB 3.4Å; T560-S563 PolarHBondContact O-N 3.45Å; T560-H564 WeakPolarHBondContact O-CB 3.41Å; T560-H564 PolarHBondContact O-N 3.15Å
561	L	86.8	Confident	83.6	Confident	15 Å²	15	61.5 Å²	61.5	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-49.2	169.8	171.3	60.2	0	0	0	111.2	E547 C548 F555 D557 E558 S563 H564 K565	E547-L561 VanDerWaalsContact O-CD2 3.31Å; E547-L561 WeakPolarHBondContact O-CD2 3.28Å; C548-L561 HydrophobicContact CB-CD1 3.55Å; F555-L561 HydrophobicContact CB-CB 4.13Å; F555-L561 HydrophobicContact CD2-CB 4.14Å; F555-L561 HydrophobicContact CD2-CD1 3.84Å; F555-L561 HydrophobicContact CE2-CD1 4.22Å; F555-L561 HydrophobicContact CG-CB 4.25Å; D557-L561 PolarHBondContact O-N 3.39Å; E558-L561 PolarHBondContact O-N 3.13Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.2Å; L561-H564 CarbonylContact O-C 3.58Å; L561-H564 WeakPolarHBondContact O-CA 3.18Å; L561-H564 WeakPolarHBondContact O-CB 3.26Å; L561-H564 PolarHBondContact O-N 3.49Å; L561-K565 HydrophobicContact CD1-CG 4.06Å; L561-K565 HydrophobicContact CG-CG 4.46Å; L561-K565 PolarHBondContact O-N 3.33Å
562	K	84.8	Confident	83.7	Confident	134 Å²	134	64.7 Å²	64.7	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-61.8	-37.1	178.2	-171.1	169.4	-173.5	168	0	112.2	E558 H564	E558-K562 WeakPolarHBondContact O-CB 3.48Å; E558-K562 PolarHBondContact O-N 3.4Å; K562-H564 VanDerWaalsContact C-N 3.35Å
563	S	84.3	Confident	83.9	Confident	43 Å²	43	66.2 Å²	66.2	30%	0.301	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-35.8	172.2	-64.5	0	0	0	0	112.6	S559 T560 L561	S559-S563 VanDerWaalsContact O-CB 3.29Å; S559-S563 WeakPolarHBondContact O-CB 3.37Å; S559-S563 PolarHBondContact O-N 2.62Å; S559-S563 PolarHBondContact O-OG 3.15Å; T560-S563 WeakPolarHBondContact O-CB 3.4Å; T560-S563 PolarHBondContact O-N 3.45Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.2Å
564	H	85.9	Confident	84.1	Confident	25 Å²	25	67.8 Å²	67.8	12%	0.116	35%	0.353	C	S	.	.	H	α-helix	trans	-76	-37.9	176.9	168.9	79.9	0	0	0	113.1	C548 C551 F555 T560 L561 K562 R566 I567 H568	C548-H564 PolarHBondContact SG-CD2 3.35Å; C548-H564 PolarHBondContact SG-NE2 2.97Å; C551-H564 PolarHBondContact SG-NE2 3.04Å; F555-H564 HydrophobicContact CE1-CB 3.97Å; F555-H564 HydrophobicContact CE2-CB 4.04Å; F555-H564 AromaticContact CE2-CD2 3.36Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.2Å; F555-H564 AromaticContact CE2-CG 3.63Å; F555-H564 AromaticContact CE2-NE2 3.89Å; F555-H564 HydrophobicContact CZ-CB 3.59Å; F555-H564 AromaticContact CZ-CD2 3.47Å; F555-H564 VanDerWaalsContact CZ-CD2 3.47Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.1Å; F555-H564 AromaticContact CZ-CE1 3.94Å; F555-H564 AromaticContact CZ-CG 3.24Å; F555-H564 AromaticContact CZ-ND1 3.56Å; F555-H564 AromaticContact CZ-NE2 3.91Å; T560-H564 WeakPolarHBondContact O-CB 3.41Å; T560-H564 PolarHBondContact O-N 3.15Å; L561-H564 CarbonylContact O-C 3.58Å; L561-H564 WeakPolarHBondContact O-CA 3.18Å; L561-H564 WeakPolarHBondContact O-CB 3.26Å; L561-H564 PolarHBondContact O-N 3.49Å; K562-H564 VanDerWaalsContact C-N 3.35Å; H564-R566 PolarHBondContact O-N 3.26Å; H564-R566 VanDerWaalsContact O-N 3.13Å; H564-I567 VanDerWaalsContact O-CB 3.23Å; H564-I567 WeakPolarHBondContact O-CB 3.46Å; H564-I567 WeakPolarHBondContact O-CG1 3.24Å; H564-I567 PolarHBondContact O-N 3.36Å; H564-H568 AromaticContact CD2-NE2 3.9Å; H564-H568 AromaticContact CE1-NE2 3.51Å; H564-H568 AromaticContact NE2-CD2 3.72Å; H564-H568 AromaticContact NE2-NE2 3.02Å; H564-H568 PolarHBondContact NE2-NE2 2.95Å
565	K	85.6	Confident	84.4	Confident	50 Å²	50	68.6 Å²	68.6	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-31.1	176.6	-76.1	-166.7	179.4	-170.8	0	112.6	E549 F550 L561 I567 H568 T569	E549-K565 IonicContact OE1-NZ 3.82Å; E549-K565 PolarHBondContact OE1-NZ 3.25Å; E549-K565 IonicContact OE2-NZ 2.69Å; E549-K565 PolarHBondContact OE2-NZ 2.9Å; F550-K565 HydrophobicContact CD2-CG 4.35Å; F550-K565 HydrophobicContact CE2-CD 4.27Å; F550-K565 HydrophobicContact CE2-CG 4.33Å; L561-K565 HydrophobicContact CD1-CG 4.06Å; L561-K565 HydrophobicContact CG-CG 4.46Å; L561-K565 PolarHBondContact O-N 3.33Å; K565-I567 PolarHBondContact O-N 3.47Å; K565-H568 PolarHBondContact O-N 3.39Å; K565-T569 PolarHBondContact O-N 3.46Å; K565-T569 PolarHBondContact O-OG1 3.46Å
566	R	86.8	Confident	84.9	Confident	42 Å²	42	66.5 Å²	66.5	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-19.8	172.2	-64.8	-174.8	172.6	159.1	2.2	115	H564 G570 E571 S584	H564-R566 PolarHBondContact O-N 3.26Å; H564-R566 VanDerWaalsContact O-N 3.13Å; R566-G570 CarbonylContact O-C 3.54Å; R566-G570 WeakPolarHBondContact O-CA 3.46Å; R566-G570 PolarHBondContact O-N 2.98Å; R566-G570 VanDerWaalsContact O-N 3.1Å; R566-E571 HydrophobicContact CB-CB 4.1Å; R566-E571 HydrophobicContact CG-CB 3.88Å; R566-E571 IonicContact NE-OE2 3.78Å; R566-E571 PolarHBondContact O-N 3.28Å; R566-S584 WeakPolarHBondContact CD-O 3.39Å; R566-S584 PolarHBondContact NH1-O 3.33Å
567	I	84.4	Confident	85.2	Confident	106 Å²	106	69.9 Å²	69.9	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-71.8	-36.5	173.8	-56.5	176.4	0	0	0	109.9	H564 K565	H564-I567 VanDerWaalsContact O-CB 3.23Å; H564-I567 WeakPolarHBondContact O-CB 3.46Å; H564-I567 WeakPolarHBondContact O-CG1 3.24Å; H564-I567 PolarHBondContact O-N 3.36Å; K565-I567 PolarHBondContact O-N 3.47Å
568	H	83.5	Confident	85.2	Confident	79 Å²	79	71.4 Å²	71.4	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-81.8	-43.1	178.6	-58.2	-64.7	0	0	0	112.3	F550 C551 H564 K565 G570	F550-H568 HydrophobicContact CB-CB 4.11Å; F550-H568 HydrophobicContact CD1-CB 4.45Å; F550-H568 HydrophobicContact CD2-CB 3.88Å; F550-H568 AromaticContact CD2-CD2 3.87Å; F550-H568 HydrophobicContact CE2-CB 4.42Å; F550-H568 HydrophobicContact CG-CB 3.9Å; F550-H568 AromaticContact CG-CG 3.96Å; C551-H568 PolarHBondContact SG-NE2 3.18Å; C551-H568 VanDerWaalsContact SG-NE2 3.38Å; H564-H568 AromaticContact CD2-NE2 3.9Å; H564-H568 AromaticContact CE1-NE2 3.51Å; H564-H568 AromaticContact NE2-CD2 3.72Å; H564-H568 AromaticContact NE2-NE2 3.02Å; H564-H568 PolarHBondContact NE2-NE2 2.95Å; K565-H568 PolarHBondContact O-N 3.39Å; H568-G570 VanDerWaalsContact C-N 3.25Å; H568-G570 PolarHBondContact O-N 3.26Å
569	T	83.7	Confident	85.4	Confident	68 Å²	68	68.2 Å²	68.2	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-77.2	-9.9	177.5	64.2	0	0	0	0	113.5	F550 K565 E571	F550-T569 HydrophobicContact CZ-CG2 4.48Å; K565-T569 PolarHBondContact O-N 3.46Å; K565-T569 PolarHBondContact O-OG1 3.46Å; T569-E571 WeakPolarHBondContact CB-OE1 3.25Å; T569-E571 PolarHBondContact O-N 3.19Å; T569-E571 VanDerWaalsContact OG1-CD 3.29Å; T569-E571 WeakPolarHBondContact OG1-CG 3.25Å; T569-E571 PolarHBondContact OG1-OE1 3.29Å
570	G	84.3	Confident	85.6	Confident	47 Å²	47	66.6 Å²	66.6	49%	0.485	37%	0.371	S	S	.	.			trans	69.8	2.7	-175.9	0	0	0	0	0	114.8	R566 H568 K572	R566-G570 CarbonylContact O-C 3.54Å; R566-G570 WeakPolarHBondContact O-CA 3.46Å; R566-G570 PolarHBondContact O-N 2.98Å; R566-G570 VanDerWaalsContact O-N 3.1Å; H568-G570 VanDerWaalsContact C-N 3.25Å; H568-G570 PolarHBondContact O-N 3.26Å; G570-K572 PolarHBondContact O-N 2.95Å
571	E	85.3	Confident	85.9	Confident	95 Å²	95	69.5 Å²	69.5	44%	0.444	38%	0.379	S	S	.	.			trans	-54.5	123.1	-177.7	-86.8	169.2	-118.2	0	0	112.8	R566 T569 S584	R566-E571 HydrophobicContact CB-CB 4.1Å; R566-E571 HydrophobicContact CG-CB 3.88Å; R566-E571 IonicContact NE-OE2 3.78Å; R566-E571 PolarHBondContact O-N 3.28Å; T569-E571 WeakPolarHBondContact CB-OE1 3.25Å; T569-E571 PolarHBondContact O-N 3.19Å; T569-E571 VanDerWaalsContact OG1-CD 3.29Å; T569-E571 WeakPolarHBondContact OG1-CG 3.25Å; T569-E571 PolarHBondContact OG1-OE1 3.29Å; E571-S584 WeakPolarHBondContact O-CB 3.45Å
572	K	86	Confident	86	Confident	123 Å²	123	73.8 Å²	73.8	54%	0.535	40%	0.397	S	S	.	.			trans	-128.4	76.6	177.5	-73.2	164.2	172.1	-173.8	0	110.9	G570 Y574 K582 F583	G570-K572 PolarHBondContact O-N 2.95Å; K572-Y574 PolarHBondContact O-N 3.37Å; K572-K582 HydrophobicContact CB-CB 3.6Å; K572-K582 HydrophobicContact CD-CB 4.29Å; K572-K582 WeakPolarHBondContact CD-O 3.36Å; K572-F583 CarbonylContact C-O 3.35Å; K572-F583 WeakPolarHBondContact CA-O 2.99Å
573	P	85.5	Confident	86.1	Confident	72 Å²	72	69.3 Å²	69.3	47%	0.468	38%	0.377	S	S	.	.			trans	-73.8	-8.6	-171.9	-17.7	33.6	0	0	0	114.8
574	Y	88.1	Confident	86.1	Confident	75 Å²	75	68.2 Å²	68.2	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.1	-174.6	-52.7	-71.9	0	0	0	109.9	K572 K582 F583 S584 K586	K572-Y574 PolarHBondContact O-N 3.37Å; Y574-K582 CarbonylContact O-C 3.41Å; Y574-K582 WeakPolarHBondContact O-CA 3.41Å; Y574-F583 PolarHBondContact N-O 3.17Å; Y574-F583 VanDerWaalsContact N-O 3.16Å; Y574-F583 PolarHBondContact O-N 2.97Å; Y574-S584 WeakPolarHBondContact CE2-O 3.47Å; Y574-K586 HydrophobicContact CD1-CB 4.2Å; Y574-K586 HydrophobicContact CE1-CB 4.01Å; Y574-K586 HydrophobicContact CE2-CB 4.41Å; Y574-K586 VanDerWaalsContact CE2-N 3.34Å; Y574-K586 HydrophobicContact CG-CB 4.49Å
575	E	90.5	Very high	86	Confident	78 Å²	78	68.9 Å²	68.9	36%	0.364	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.9	-177.4	-175.2	154.9	-157.5	0	0	112.1	K582 L589	E575-K582 HydrophobicContact CB-CG 4.28Å; E575-K582 VanDerWaalsContact CD-CE 3.41Å; E575-K582 HydrophobicContact CG-CD 4.45Å; E575-K582 HydrophobicContact CG-CG 4.05Å; E575-K582 WeakPolarHBondContact OE1-CE 3.44Å; E575-K582 IonicContact OE1-NZ 2.81Å; E575-K582 PolarHBondContact OE1-NZ 3.28Å; E575-K582 WeakPolarHBondContact OE2-CE 3.4Å; E575-K582 IonicContact OE2-NZ 3.18Å; E575-K582 PolarHBondContact OE2-NZ 3.15Å; E575-L589 VanDerWaalsContact O-CD2 3.3Å; E575-L589 WeakPolarHBondContact O-CD2 3.49Å
576	C	90.9	Very high	86	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.394	C	S	.	.			trans	-91.9	106.7	175.9	-175	0	0	0	0	110.6	G578 C579 G580 K581 F583 L589 Y593	C576-G578 PolarHBondContact O-N 3.01Å; C576-C579 PolarHBondContact O-N 3.32Å; C576-C579 VanDerWaalsContact SG-SG 3.68Å; C576-G580 PolarHBondContact O-N 3.49Å; C576-K581 HydrophobicContact CB-CB 4.47Å; C576-K581 WeakPolarHBondContact CB-O 3.49Å; C576-K581 PolarHBondContact N-O 3.32Å; C576-F583 HydrophobicContact CB-CE2 4.33Å; C576-L589 HydrophobicContact CB-CD1 3.52Å; C576-Y593 WeakPolarHBondContact SG-CE1 3.47Å
577	N	85.1	Confident	85.7	Confident	148 Å²	148	76.8 Å²	76.8	79%	0.791	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.9	-177.9	-63.3	8.1	0	0	0	112.4	Y593	N577-Y593 PolarHBondContact N-OH 3.25Å; N577-Y593 VanDerWaalsContact N-OH 3.13Å
578	G	80.5	Confident	85.7	Confident	51 Å²	51	74.7 Å²	74.7	53%	0.526	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.2	177.2	0	0	0	0	0	116.4	C576 H596	C576-G578 PolarHBondContact O-N 3.01Å; G578-H596 PolarHBondContact O-CE1 2.85Å
579	C	87.3	Confident	86	Confident	51 Å²	51	71.8 Å²	71.8	35%	0.345	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163	9.7	177.5	65.4	0	0	0	0	117.4	C576 K581 H592 H596	C576-C579 PolarHBondContact O-N 3.32Å; C576-C579 VanDerWaalsContact SG-SG 3.68Å; C579-K581 PolarHBondContact O-N 3.16Å; C579-K581 VanDerWaalsContact O-N 3.09Å; C579-H592 PolarHBondContact SG-NE2 3.34Å; C579-H596 PolarHBondContact SG-NE2 3.2Å
580	G	85.9	Confident	86	Confident	40 Å²	40	73.3 Å²	73.3	41%	0.412	39%	0.388	S	S	.	.			trans	67	5.4	-179.9	0	0	0	0	0	115.7	C576 K582	C576-G580 PolarHBondContact O-N 3.49Å; G580-K582 WeakPolarHBondContact O-CG 3.4Å; G580-K582 PolarHBondContact O-N 3.01Å
581	K	88.2	Confident	86	Confident	118 Å²	118	73 Å²	73	51%	0.513	38%	0.377	S	S	.	.			trans	-73.5	125.6	-179.9	-72.5	175.9	-173.3	159.8	0	110.5	C576 C579 F583	C576-K581 HydrophobicContact CB-CB 4.47Å; C576-K581 WeakPolarHBondContact CB-O 3.49Å; C576-K581 PolarHBondContact N-O 3.32Å; C579-K581 PolarHBondContact O-N 3.16Å; C579-K581 VanDerWaalsContact O-N 3.09Å; K581-F583 HydrophobicContact CB-CE2 3.81Å; K581-F583 HydrophobicContact CB-CZ 3.98Å; K581-F583 WeakPolarHBondContact O-CD2 3.48Å; K581-F583 VanDerWaalsContact O-CE2 3.25Å; K581-F583 WeakPolarHBondContact O-CE2 3.44Å
582	K	89.1	Confident	86.1	Confident	105 Å²	105	69.6 Å²	69.6	46%	0.457	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.8	-176.3	-40.5	-163.4	-167.8	-135.1	0	111.8	K572 Y574 E575 G580	K572-K582 HydrophobicContact CB-CB 3.6Å; K572-K582 HydrophobicContact CD-CB 4.29Å; K572-K582 WeakPolarHBondContact CD-O 3.36Å; Y574-K582 CarbonylContact O-C 3.41Å; Y574-K582 WeakPolarHBondContact O-CA 3.41Å; E575-K582 HydrophobicContact CB-CG 4.28Å; E575-K582 VanDerWaalsContact CD-CE 3.41Å; E575-K582 HydrophobicContact CG-CD 4.45Å; E575-K582 HydrophobicContact CG-CG 4.05Å; E575-K582 WeakPolarHBondContact OE1-CE 3.44Å; E575-K582 IonicContact OE1-NZ 2.81Å; E575-K582 PolarHBondContact OE1-NZ 3.28Å; E575-K582 WeakPolarHBondContact OE2-CE 3.4Å; E575-K582 IonicContact OE2-NZ 3.18Å; E575-K582 PolarHBondContact OE2-NZ 3.15Å; G580-K582 WeakPolarHBondContact O-CG 3.4Å; G580-K582 PolarHBondContact O-N 3.01Å
583	F	87.1	Confident	86.1	Confident	39 Å²	39	67.7 Å²	67.7	17%	0.171	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.6	-174.2	-59.4	-87.7	0	0	0	111.2	K572 Y574 C576 K581 Q588 L589 H592	K572-F583 CarbonylContact C-O 3.35Å; K572-F583 WeakPolarHBondContact CA-O 2.99Å; Y574-F583 PolarHBondContact N-O 3.17Å; Y574-F583 VanDerWaalsContact N-O 3.16Å; Y574-F583 PolarHBondContact O-N 2.97Å; C576-F583 HydrophobicContact CB-CE2 4.33Å; K581-F583 HydrophobicContact CB-CE2 3.81Å; K581-F583 HydrophobicContact CB-CZ 3.98Å; K581-F583 WeakPolarHBondContact O-CD2 3.48Å; K581-F583 VanDerWaalsContact O-CE2 3.25Å; K581-F583 WeakPolarHBondContact O-CE2 3.44Å; F583-Q588 HydrophobicContact CB-CB 4.06Å; F583-Q588 HydrophobicContact CD1-CB 3.75Å; F583-Q588 HydrophobicContact CG-CB 4.14Å; F583-L589 HydrophobicContact CB-CB 4.42Å; F583-L589 HydrophobicContact CD2-CB 3.97Å; F583-L589 HydrophobicContact CD2-CD1 3.93Å; F583-L589 HydrophobicContact CE2-CD1 4.09Å; F583-L589 HydrophobicContact CG-CB 4.36Å; F583-H592 HydrophobicContact CE1-CB 4.16Å; F583-H592 HydrophobicContact CE2-CB 3.92Å; F583-H592 AromaticContact CE2-CD2 3.46Å; F583-H592 VanDerWaalsContact CE2-CD2 3.46Å; F583-H592 WeakPolarHBondContact CE2-CD2 3.35Å; F583-H592 AromaticContact CE2-CG 3.82Å; F583-H592 HydrophobicContact CZ-CB 3.55Å; F583-H592 AromaticContact CZ-CD2 3.37Å; F583-H592 WeakPolarHBondContact CZ-CD2 3.32Å; F583-H592 AromaticContact CZ-CG 3.36Å
584	S	84.4	Confident	86.1	Confident	21 Å²	21	66.2 Å²	66.2	15%	0.147	34%	0.336	C	S	.	.	S	Bend	trans	-84.7	-16.7	-179.4	56	0	0	0	0	113.6	R566 E571 Y574	R566-S584 WeakPolarHBondContact CD-O 3.39Å; R566-S584 PolarHBondContact NH1-O 3.33Å; E571-S584 WeakPolarHBondContact O-CB 3.45Å; Y574-S584 WeakPolarHBondContact CE2-O 3.47Å
585	L	85	Confident	85.9	Confident	39 Å²	39	65.7 Å²	65.7	20%	0.204	34%	0.341	C	S	.	.	S	Bend	trans	-134.4	138	-178.2	-56.7	175.9	0	0	0	112.1	H587 Q588	L585-H587 VanDerWaalsContact C-N 3.31Å; L585-H587 PolarHBondContact O-N 3.37Å; L585-Q588 HydrophobicContact CB-CG 4.15Å; L585-Q588 WeakPolarHBondContact O-CB 3.28Å; L585-Q588 PolarHBondContact O-N 3.38Å
586	K	84.3	Confident	85.6	Confident	147 Å²	147	66.3 Å²	66.3	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-55.1	-41.7	-176.6	-175.3	-178.9	176.6	-177.4	0	113.1	Y574 Q588 L589 E590	Y574-K586 HydrophobicContact CD1-CB 4.2Å; Y574-K586 HydrophobicContact CE1-CB 4.01Å; Y574-K586 HydrophobicContact CE2-CB 4.41Å; Y574-K586 VanDerWaalsContact CE2-N 3.34Å; Y574-K586 HydrophobicContact CG-CB 4.49Å; K586-Q588 PolarHBondContact O-N 3.46Å; K586-L589 WeakPolarHBondContact O-CB 3.24Å; K586-L589 PolarHBondContact O-N 3.04Å; K586-L589 VanDerWaalsContact O-N 3.17Å; K586-E590 PolarHBondContact O-N 3.01Å
587	H	80.9	Confident	85.2	Confident	110 Å²	110	70.5 Å²	70.5	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-27.1	-179.4	71.4	-109.5	0	0	0	113	L585 E590 T591	L585-H587 VanDerWaalsContact C-N 3.31Å; L585-H587 PolarHBondContact O-N 3.37Å; H587-E590 PolarHBondContact O-N 3.23Å; H587-T591 WeakPolarHBondContact O-CG2 3.43Å; H587-T591 PolarHBondContact O-N 3.39Å; H587-T591 PolarHBondContact O-OG1 3.35Å; H587-T591 VanDerWaalsContact O-OG1 3.06Å
588	Q	85.3	Confident	85	Confident	62 Å²	62	65.5 Å²	65.5	29%	0.29	35%	0.353	S	S	.	.	H	α-helix	trans	-73.2	-35.4	177.4	-62.5	175	-9.2	0	0	111.2	F583 L585 K586 T591 H592	F583-Q588 HydrophobicContact CB-CB 4.06Å; F583-Q588 HydrophobicContact CD1-CB 3.75Å; F583-Q588 HydrophobicContact CG-CB 4.14Å; L585-Q588 HydrophobicContact CB-CG 4.15Å; L585-Q588 WeakPolarHBondContact O-CB 3.28Å; L585-Q588 PolarHBondContact O-N 3.38Å; K586-Q588 PolarHBondContact O-N 3.46Å; Q588-T591 WeakPolarHBondContact CA-OG1 3.38Å; Q588-T591 PolarHBondContact O-OG1 3.12Å; Q588-T591 VanDerWaalsContact O-OG1 3.12Å; Q588-H592 WeakPolarHBondContact O-CB 3.43Å; Q588-H592 PolarHBondContact O-N 2.86Å
589	L	87.9	Confident	85.1	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-67.3	-42.1	171.2	173.4	61.1	0	0	0	110.8	E575 C576 F583 K586 H592 Y593	E575-L589 VanDerWaalsContact O-CD2 3.3Å; E575-L589 WeakPolarHBondContact O-CD2 3.49Å; C576-L589 HydrophobicContact CB-CD1 3.52Å; F583-L589 HydrophobicContact CB-CB 4.42Å; F583-L589 HydrophobicContact CD2-CB 3.97Å; F583-L589 HydrophobicContact CD2-CD1 3.93Å; F583-L589 HydrophobicContact CE2-CD1 4.09Å; F583-L589 HydrophobicContact CG-CB 4.36Å; K586-L589 WeakPolarHBondContact O-CB 3.24Å; K586-L589 PolarHBondContact O-N 3.04Å; K586-L589 VanDerWaalsContact O-N 3.17Å; L589-H592 CarbonylContact O-C 3.52Å; L589-H592 WeakPolarHBondContact O-CA 3.44Å; L589-H592 WeakPolarHBondContact O-CB 3.41Å; L589-H592 PolarHBondContact O-N 2.87Å; L589-H592 VanDerWaalsContact O-N 3.14Å; L589-Y593 HydrophobicContact CD1-CD2 3.93Å; L589-Y593 HydrophobicContact CD1-CE2 3.47Å; L589-Y593 VanDerWaalsContact CD1-CE2 3.47Å; L589-Y593 HydrophobicContact CD2-CE2 3.91Å; L589-Y593 HydrophobicContact CG-CD2 3.91Å; L589-Y593 HydrophobicContact CG-CE2 3.51Å; L589-Y593 WeakPolarHBondContact O-CD2 3.47Å; L589-Y593 PolarHBondContact O-N 2.74Å
590	E	84.9	Confident	84.8	Confident	99 Å²	99	70.4 Å²	70.4	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-48.5	177.2	-167.2	-159	126.2	0	0	112.4	K586 H587 H592 Y593 R594	K586-E590 PolarHBondContact O-N 3.01Å; H587-E590 PolarHBondContact O-N 3.23Å; E590-H592 PolarHBondContact O-N 2.96Å; E590-Y593 PolarHBondContact O-N 3.41Å; E590-R594 IonicContact OE1-CZ 2.67Å; E590-R594 IonicContact OE1-NH2 3.58Å; E590-R594 PolarHBondContact OE1-NH2 3.33Å
591	T	84.2	Confident	84.5	Confident	40 Å²	40	71.5 Å²	71.5	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-28.2	173	53.5	0	0	0	0	112.4	H587 Q588 D613	H587-T591 WeakPolarHBondContact O-CG2 3.43Å; H587-T591 PolarHBondContact O-N 3.39Å; H587-T591 PolarHBondContact O-OG1 3.35Å; H587-T591 VanDerWaalsContact O-OG1 3.06Å; Q588-T591 WeakPolarHBondContact CA-OG1 3.38Å; Q588-T591 PolarHBondContact O-OG1 3.12Å; Q588-T591 VanDerWaalsContact O-OG1 3.12Å; T591-D613 WeakPolarHBondContact CB-OD1 3.42Å; T591-D613 WeakPolarHBondContact CG2-OD1 3.47Å
592	H	87.6	Confident	84.1	Confident	25 Å²	25	69.1 Å²	69.1	12%	0.116	35%	0.345	C	S	.	.	H	α-helix	trans	-72.4	-35.3	173.5	-172.6	48.8	0	0	0	113.6	C579 F583 Q588 L589 E590 R594 V595 H596	C579-H592 PolarHBondContact SG-NE2 3.34Å; F583-H592 HydrophobicContact CE1-CB 4.16Å; F583-H592 HydrophobicContact CE2-CB 3.92Å; F583-H592 AromaticContact CE2-CD2 3.46Å; F583-H592 VanDerWaalsContact CE2-CD2 3.46Å; F583-H592 WeakPolarHBondContact CE2-CD2 3.35Å; F583-H592 AromaticContact CE2-CG 3.82Å; F583-H592 HydrophobicContact CZ-CB 3.55Å; F583-H592 AromaticContact CZ-CD2 3.37Å; F583-H592 WeakPolarHBondContact CZ-CD2 3.32Å; F583-H592 AromaticContact CZ-CG 3.36Å; Q588-H592 WeakPolarHBondContact O-CB 3.43Å; Q588-H592 PolarHBondContact O-N 2.86Å; L589-H592 CarbonylContact O-C 3.52Å; L589-H592 WeakPolarHBondContact O-CA 3.44Å; L589-H592 WeakPolarHBondContact O-CB 3.41Å; L589-H592 PolarHBondContact O-N 2.87Å; L589-H592 VanDerWaalsContact O-N 3.14Å; E590-H592 PolarHBondContact O-N 2.96Å; H592-R594 PolarHBondContact O-N 3.28Å; H592-V595 WeakPolarHBondContact O-CA 3.37Å; H592-V595 WeakPolarHBondContact O-CB 3.35Å; H592-V595 WeakPolarHBondContact O-CG2 3.42Å; H592-V595 PolarHBondContact O-N 3.25Å; H592-H596 AromaticContact NE2-NE2 3.67Å
593	Y	85.1	Confident	83.6	Confident	83 Å²	83	66.8 Å²	66.8	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-31.1	174.9	-83.1	-61	0	0	0	112.3	C576 N577 L589 E590 V595 H596 T597	C576-Y593 WeakPolarHBondContact SG-CE1 3.47Å; N577-Y593 PolarHBondContact N-OH 3.25Å; N577-Y593 VanDerWaalsContact N-OH 3.13Å; L589-Y593 HydrophobicContact CD1-CD2 3.93Å; L589-Y593 HydrophobicContact CD1-CE2 3.47Å; L589-Y593 VanDerWaalsContact CD1-CE2 3.47Å; L589-Y593 HydrophobicContact CD2-CE2 3.91Å; L589-Y593 HydrophobicContact CG-CD2 3.91Å; L589-Y593 HydrophobicContact CG-CE2 3.51Å; L589-Y593 WeakPolarHBondContact O-CD2 3.47Å; L589-Y593 PolarHBondContact O-N 2.74Å; E590-Y593 PolarHBondContact O-N 3.41Å; Y593-V595 PolarHBondContact O-N 3.16Å; Y593-V595 VanDerWaalsContact O-N 3.13Å; Y593-H596 WeakPolarHBondContact O-CA 3.23Å; Y593-H596 WeakPolarHBondContact O-CB 3.41Å; Y593-H596 PolarHBondContact O-N 3.24Å; Y593-T597 PolarHBondContact O-N 3.26Å
594	R	85.6	Confident	83	Confident	40 Å²	40	65 Å²	65	15%	0.151	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-10	171.4	-55.2	178.9	-163.8	160.4	3.8	114.3	E590 H592 G598 E599 R612	E590-R594 IonicContact OE1-CZ 2.67Å; E590-R594 IonicContact OE1-NH2 3.58Å; E590-R594 PolarHBondContact OE1-NH2 3.33Å; H592-R594 PolarHBondContact O-N 3.28Å; R594-G598 PolarHBondContact O-N 3.26Å; R594-E599 HydrophobicContact CB-CB 4.23Å; R594-E599 HydrophobicContact CG-CB 4.25Å; R594-R612 HydrophobicContact CB-CB 4.4Å; R594-R612 PolarHBondContact NH1-O 3.1Å; R594-R612 VanDerWaalsContact NH1-O 3.13Å; R594-R612 VanDerWaalsContact O-CD 3.3Å; R594-R612 WeakPolarHBondContact O-CD 3.3Å
595	V	84.6	Confident	82.5	Confident	64 Å²	64	71.7 Å²	71.7	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-77.2	-31	167.2	-177.1	0	0	0	0	111.1	H592 Y593	H592-V595 WeakPolarHBondContact O-CA 3.37Å; H592-V595 WeakPolarHBondContact O-CB 3.35Å; H592-V595 WeakPolarHBondContact O-CG2 3.42Å; H592-V595 PolarHBondContact O-N 3.25Å; Y593-V595 PolarHBondContact O-N 3.16Å; Y593-V595 VanDerWaalsContact O-N 3.13Å
596	H	83.8	Confident	81.8	Confident	92 Å²	92	74.7 Å²	74.7	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-85	-44.3	178.7	-70.5	-80.3	0	0	0	112.4	G578 C579 H592 Y593 G598	G578-H596 PolarHBondContact O-CE1 2.85Å; C579-H596 PolarHBondContact SG-NE2 3.2Å; H592-H596 AromaticContact NE2-NE2 3.67Å; Y593-H596 WeakPolarHBondContact O-CA 3.23Å; Y593-H596 WeakPolarHBondContact O-CB 3.41Å; Y593-H596 PolarHBondContact O-N 3.24Å; H596-G598 VanDerWaalsContact C-N 3.25Å; H596-G598 PolarHBondContact O-N 3.06Å
597	T	82	Confident	81.3	Confident	88 Å²	88	70.1 Å²	70.1	54%	0.54	36%	0.356	S	S	.	.	S	Bend	trans	-77.1	-11.6	176.7	62.9	0	0	0	0	113.3	Y593 E599	Y593-T597 PolarHBondContact O-N 3.26Å; T597-E599 VanDerWaalsContact CB-OE1 3.22Å; T597-E599 WeakPolarHBondContact CB-OE1 3.45Å; T597-E599 PolarHBondContact O-N 3.5Å; T597-E599 WeakPolarHBondContact OG1-CG 3.28Å; T597-E599 PolarHBondContact OG1-OE1 3.18Å
598	G	81.9	Confident	81.2	Confident	43 Å²	43	70.8 Å²	70.8	44%	0.443	36%	0.359	S	S	.	.			trans	73.1	-2.4	-176.9	0	0	0	0	0	114.7	R594 H596 K600	R594-G598 PolarHBondContact O-N 3.26Å; H596-G598 VanDerWaalsContact C-N 3.25Å; H596-G598 PolarHBondContact O-N 3.06Å; G598-K600 PolarHBondContact O-N 3.23Å
599	E	82.4	Confident	80.8	Confident	100 Å²	100	73.5 Å²	73.5	47%	0.467	37%	0.372	S	S	.	.			trans	-53.1	129.3	-177.7	-79.8	164.3	-127.8	0	0	113.1	R594 T597 R612	R594-E599 HydrophobicContact CB-CB 4.23Å; R594-E599 HydrophobicContact CG-CB 4.25Å; T597-E599 VanDerWaalsContact CB-OE1 3.22Å; T597-E599 WeakPolarHBondContact CB-OE1 3.45Å; T597-E599 PolarHBondContact O-N 3.5Å; T597-E599 WeakPolarHBondContact OG1-CG 3.28Å; T597-E599 PolarHBondContact OG1-OE1 3.18Å; E599-R612 WeakPolarHBondContact O-CG 3.3Å
600	K	81.5	Confident	80.5	Confident	104 Å²	104	78 Å²	78	45%	0.452	39%	0.388	S	S	.	.			trans	-125.3	82.8	174.1	-65.7	163.4	-178.4	-179.8	0	108.8	G598 F602 R610 S611 R612	G598-K600 PolarHBondContact O-N 3.23Å; K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 3.17Å; K600-R610 HydrophobicContact CB-CB 3.42Å; K600-R610 VanDerWaalsContact CB-CB 3.42Å; K600-R610 HydrophobicContact CD-CB 3.92Å; K600-R610 HydrophobicContact CG-CB 4.26Å; K600-R610 PolarHBondContact O-NE 3.35Å; K600-R610 PolarHBondContact O-NH2 2.94Å; K600-S611 CarbonylContact C-O 3.56Å; K600-S611 VanDerWaalsContact CA-O 3.3Å; K600-S611 WeakPolarHBondContact CA-O 3.47Å; K600-R612 HydrophobicContact CG-CG 3.98Å
601	P	78.3	Confident	80.3	Confident	64 Å²	64	74.1 Å²	74.1	42%	0.416	37%	0.371	S	S	.	.			trans	-65.2	-38.1	-173	-21.8	33.9	0	0	0	112.3	R610	P601-R610 PolarHBondContact O-NH2 3.42Å
602	F	79.3	Confident	80	Confident	67 Å²	67	77.1 Å²	77.1	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.7	-176.5	-50.7	-80.9	0	0	0	110.3	K600 R610 S611 R612 D613 Y614 M617	K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 3.17Å; F602-R610 CarbonylContact O-C 3.58Å; F602-R610 VanDerWaalsContact O-CA 3.27Å; F602-R610 WeakPolarHBondContact O-CA 3.38Å; F602-S611 PolarHBondContact N-O 2.87Å; F602-S611 PolarHBondContact O-N 3.49Å; F602-R612 WeakPolarHBondContact CE2-O 3.49Å; F602-D613 VanDerWaalsContact CD2-C 3.48Å; F602-Y614 HydrophobicContact CD1-CD2 4.15Å; F602-Y614 HydrophobicContact CE1-CD2 4.08Å; F602-Y614 VanDerWaalsContact CE2-N 3.31Å; F602-M617 HydrophobicContact CB-CB 4.12Å; F602-M617 HydrophobicContact CB-CE 3.92Å; F602-M617 HydrophobicContact CB-CG 4.34Å; F602-M617 VanDerWaalsContact O-CE 3.24Å; F602-M617 WeakPolarHBondContact O-CE 3.39Å
603	E	78.8	Confident	79.7	Confident	57 Å²	57	78.5 Å²	78.5	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.2	177.3	-175.1	-168.1	139.9	0	0	110.7	K605 H608 R610 M617	E603-K605 PolarHBondContact O-N 2.96Å; E603-H608 IonicContact OE1-CE1 3.89Å; E603-H608 IonicContact OE1-CG 2.73Å; E603-H608 IonicContact OE1-ND1 2.58Å; E603-H608 PolarHBondContact OE1-ND1 2.96Å; E603-R610 HydrophobicContact CB-CG 4.49Å; E603-R610 HydrophobicContact CG-CG 4.31Å; E603-R610 IonicContact OE2-CZ 2.97Å; E603-R610 IonicContact OE2-NH1 3.48Å; E603-R610 PolarHBondContact OE2-NH1 2.92Å; E603-R610 IonicContact OE2-NH2 3.13Å; E603-M617 VanDerWaalsContact C-CE 3.44Å
604	C	75.6	Confident	79.2	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.007	40%	0.398	C	S	.	.			trans	-81.3	114.5	175.3	-179.1	0	0	0	0	110.8	L606 C607 H608 Q609 M617 H620 H624	C604-L606 PolarHBondContact O-N 3.37Å; C604-L606 VanDerWaalsContact O-N 3.1Å; C604-C607 PolarHBondContact O-N 2.95Å; C604-H608 VanDerWaalsContact O-CA 3.24Å; C604-H608 WeakPolarHBondContact O-CA 3.37Å; C604-H608 PolarHBondContact O-N 3.44Å; C604-Q609 WeakPolarHBondContact CB-O 3.39Å; C604-Q609 PolarHBondContact N-O 3.49Å; C604-M617 HydrophobicContact CB-CE 4.05Å; C604-M617 HydrophobicContact CB-SD 3.75Å; C604-M617 VanDerWaalsContact N-CE 3.34Å; C604-H620 WeakPolarHBondContact CB-NE2 3.44Å; C604-H620 PolarHBondContact SG-NE2 2.75Å; C604-H620 VanDerWaalsContact SG-NE2 3.42Å; C604-H624 VanDerWaalsContact SG-CD2 3.54Å; C604-H624 PolarHBondContact SG-NE2 3.38Å
605	K	74.3	Confident	78.8	Confident	162 Å²	162	83.8 Å²	83.8	70%	0.704	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.1	179.8	-62.1	-58.1	-173.9	-179.5	0	115	E603	E603-K605 PolarHBondContact O-N 2.96Å
606	L	69.4	Low	78.6	Confident	102 Å²	102	82.7 Å²	82.7	53%	0.534	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-18.5	179.3	-57.2	176.2	0	0	0	114.7	C604 H624	C604-L606 PolarHBondContact O-N 3.37Å; C604-L606 VanDerWaalsContact O-N 3.1Å; L606-H624 HydrophobicContact CD1-CB 3.6Å
607	C	75.1	Confident	78.3	Confident	51 Å²	51	78.8 Å²	78.8	35%	0.345	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.9	14.3	-179.9	74	0	0	0	0	115	C604 Q609 H620 H624	C604-C607 PolarHBondContact O-N 2.95Å; C607-Q609 PolarHBondContact O-N 3.32Å; C607-Q609 VanDerWaalsContact SG-CG 3.58Å; C607-H620 VanDerWaalsContact SG-CE1 3.52Å; C607-H620 PolarHBondContact SG-NE2 3.29Å; C607-H624 PolarHBondContact SG-CE1 3.46Å; C607-H624 PolarHBondContact SG-NE2 2.98Å
608	H	77.4	Confident	78.1	Confident	123 Å²	123	76.4 Å²	76.4	57%	0.569	38%	0.384	S	S	*	.			trans	56.4	7.8	179.4	-53.9	-71.3	0	0	0	116.9	E603 C604 R610	E603-H608 IonicContact OE1-CE1 3.89Å; E603-H608 IonicContact OE1-CG 2.73Å; E603-H608 IonicContact OE1-ND1 2.58Å; E603-H608 PolarHBondContact OE1-ND1 2.96Å; C604-H608 VanDerWaalsContact O-CA 3.24Å; C604-H608 WeakPolarHBondContact O-CA 3.37Å; C604-H608 PolarHBondContact O-N 3.44Å; H608-R610 WeakPolarHBondContact O-CG 3.49Å; H608-R610 PolarHBondContact O-N 2.93Å
609	Q	78.3	Confident	77.8	Confident	119 Å²	119	81.1 Å²	81.1	56%	0.556	39%	0.392	S	S	*	.			trans	-60.6	129.1	172.8	-79	-67.2	-12.7	0	0	111.1	C604 C607	C604-Q609 WeakPolarHBondContact CB-O 3.39Å; C604-Q609 PolarHBondContact N-O 3.49Å; C607-Q609 PolarHBondContact O-N 3.32Å; C607-Q609 VanDerWaalsContact SG-CG 3.58Å
610	R	81.1	Confident	77.5	Confident	114 Å²	114	78.5 Å²	78.5	43%	0.43	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.4	-176.7	-46	-170.3	72.5	86	11.4	111.5	K600 P601 F602 E603 H608	K600-R610 HydrophobicContact CB-CB 3.42Å; K600-R610 VanDerWaalsContact CB-CB 3.42Å; K600-R610 HydrophobicContact CD-CB 3.92Å; K600-R610 HydrophobicContact CG-CB 4.26Å; K600-R610 PolarHBondContact O-NE 3.35Å; K600-R610 PolarHBondContact O-NH2 2.94Å; P601-R610 PolarHBondContact O-NH2 3.42Å; F602-R610 CarbonylContact O-C 3.58Å; F602-R610 VanDerWaalsContact O-CA 3.27Å; F602-R610 WeakPolarHBondContact O-CA 3.38Å; E603-R610 HydrophobicContact CB-CG 4.49Å; E603-R610 HydrophobicContact CG-CG 4.31Å; E603-R610 IonicContact OE2-CZ 2.97Å; E603-R610 IonicContact OE2-NH1 3.48Å; E603-R610 PolarHBondContact OE2-NH1 2.92Å; E603-R610 IonicContact OE2-NH2 3.13Å; H608-R610 WeakPolarHBondContact O-CG 3.49Å; H608-R610 PolarHBondContact O-N 2.93Å
611	S	80.3	Confident	76.9	Confident	17 Å²	17	75.8 Å²	75.8	12%	0.119	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.1	176.7	80.5	0	0	0	0	112.6	K600 F602 D613 M617	K600-S611 CarbonylContact C-O 3.56Å; K600-S611 VanDerWaalsContact CA-O 3.3Å; K600-S611 WeakPolarHBondContact CA-O 3.47Å; F602-S611 PolarHBondContact N-O 2.87Å; F602-S611 PolarHBondContact O-N 3.49Å; S611-D613 PolarHBondContact OG-O 3.08Å; S611-D613 VanDerWaalsContact OG-O 3.11Å; S611-M617 PolarHBondContact OG-N 3.39Å
612	R	78.2	Confident	76.6	Confident	104 Å²	104	75.5 Å²	75.5	39%	0.392	36%	0.36	S	S	.	.	S	Bend	trans	-72.2	-31	179.6	-59.6	-174.4	-79.7	-133.4	-3.5	112.7	R594 E599 K600 F602	R594-R612 HydrophobicContact CB-CB 4.4Å; R594-R612 PolarHBondContact NH1-O 3.1Å; R594-R612 VanDerWaalsContact NH1-O 3.13Å; R594-R612 VanDerWaalsContact O-CD 3.3Å; R594-R612 WeakPolarHBondContact O-CD 3.3Å; E599-R612 WeakPolarHBondContact O-CG 3.3Å; K600-R612 HydrophobicContact CG-CG 3.98Å; F602-R612 WeakPolarHBondContact CE2-O 3.49Å
613	D	80	Confident	76.2	Confident	53 Å²	53	77 Å²	77	28%	0.283	38%	0.375	S	S	.	.	S	Bend	trans	-132	140.9	-169.6	-56.7	-37.3	0	0	0	112.4	T591 F602 S611 S615 A616 M617	T591-D613 WeakPolarHBondContact CB-OD1 3.42Å; T591-D613 WeakPolarHBondContact CG2-OD1 3.47Å; F602-D613 VanDerWaalsContact CD2-C 3.48Å; S611-D613 PolarHBondContact OG-O 3.08Å; S611-D613 VanDerWaalsContact OG-O 3.11Å; D613-S615 PolarHBondContact O-N 3.03Å; D613-A616 HydrophobicContact CB-CB 4.37Å; D613-A616 WeakPolarHBondContact O-CA 3.5Å; D613-A616 WeakPolarHBondContact O-CB 3.37Å; D613-A616 PolarHBondContact O-N 3.04Å; D613-M617 PolarHBondContact O-N 2.77Å
614	Y	74.7	Confident	75.5	Confident	146 Å²	146	77.7 Å²	77.7	57%	0.573	38%	0.378	S	S	*	.	H	α-helix	trans	-56	-36.4	173.6	-173	-99.9	0	0	0	113	F602 A616 M617 I618	F602-Y614 HydrophobicContact CD1-CD2 4.15Å; F602-Y614 HydrophobicContact CE1-CD2 4.08Å; F602-Y614 VanDerWaalsContact CE2-N 3.31Å; Y614-A616 VanDerWaalsContact C-N 3.25Å; Y614-A616 PolarHBondContact O-N 3.1Å; Y614-M617 WeakPolarHBondContact O-CB 3.38Å; Y614-M617 PolarHBondContact O-N 3.35Å; Y614-I618 HydrophobicContact CD1-CG1 3.94Å; Y614-I618 HydrophobicContact CE1-CD1 4.01Å; Y614-I618 HydrophobicContact CE1-CG1 3.57Å; Y614-I618 HydrophobicContact CE2-CD1 4.43Å; Y614-I618 HydrophobicContact CE2-CG1 4.42Å; Y614-I618 WeakPolarHBondContact O-CG1 3.46Å; Y614-I618 PolarHBondContact O-N 2.89Å
615	S	78.3	Confident	74.9	Confident	88 Å²	88	80.9 Å²	80.9	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-68.1	-20.3	175.1	-74.9	0	0	0	0	114.2	D613 K619	D613-S615 PolarHBondContact O-N 3.03Å; S615-K619 WeakPolarHBondContact O-CD 3.33Å; S615-K619 VanDerWaalsContact O-CG 3.32Å; S615-K619 WeakPolarHBondContact O-CG 3.37Å
616	A	79.4	Confident	74.3	Confident	42 Å²	42	76.1 Å²	76.1	35%	0.347	39%	0.392	S	S	.	.	H	α-helix	trans	-83.4	-41.6	169.6	0	0	0	0	0	110.5	D613 Y614 I618 K619 H620	D613-A616 HydrophobicContact CB-CB 4.37Å; D613-A616 WeakPolarHBondContact O-CA 3.5Å; D613-A616 WeakPolarHBondContact O-CB 3.37Å; D613-A616 PolarHBondContact O-N 3.04Å; Y614-A616 VanDerWaalsContact C-N 3.25Å; Y614-A616 PolarHBondContact O-N 3.1Å; A616-I618 PolarHBondContact O-N 3.24Å; A616-K619 PolarHBondContact O-N 2.85Å; A616-H620 PolarHBondContact O-N 3.13Å
617	M	78.4	Confident	73.8	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-55.9	-49.4	173.7	-175.2	50.2	63.4	0	0	112.1	F602 E603 C604 S611 D613 Y614 K619 H620 L621	F602-M617 HydrophobicContact CB-CB 4.12Å; F602-M617 HydrophobicContact CB-CE 3.92Å; F602-M617 HydrophobicContact CB-CG 4.34Å; F602-M617 VanDerWaalsContact O-CE 3.24Å; F602-M617 WeakPolarHBondContact O-CE 3.39Å; E603-M617 VanDerWaalsContact C-CE 3.44Å; C604-M617 HydrophobicContact CB-CE 4.05Å; C604-M617 HydrophobicContact CB-SD 3.75Å; C604-M617 VanDerWaalsContact N-CE 3.34Å; S611-M617 PolarHBondContact OG-N 3.39Å; D613-M617 PolarHBondContact O-N 2.77Å; Y614-M617 WeakPolarHBondContact O-CB 3.38Å; Y614-M617 PolarHBondContact O-N 3.35Å; M617-K619 VanDerWaalsContact C-N 3.27Å; M617-K619 PolarHBondContact O-N 2.84Å; M617-H620 CarbonylContact O-C 3.55Å; M617-H620 WeakPolarHBondContact O-CA 3.33Å; M617-H620 WeakPolarHBondContact O-CB 3.24Å; M617-H620 PolarHBondContact O-N 2.92Å; M617-L621 HydrophobicContact CG-CD1 3.85Å; M617-L621 HydrophobicContact CG-CG 4.27Å; M617-L621 WeakPolarHBondContact O-CG 3.4Å; M617-L621 PolarHBondContact O-N 3.39Å; M617-L621 HydrophobicContact SD-CD1 4.16Å; M617-L621 HydrophobicContact SD-CD2 4.44Å; M617-L621 HydrophobicContact SD-CG 3.97Å
618	I	78	Confident	73.1	Confident	38 Å²	38	70 Å²	70	20%	0.195	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-31	179.1	-67.6	-68.2	0	0	0	112.6	Y614 A616 L621 R622	Y614-I618 HydrophobicContact CD1-CG1 3.94Å; Y614-I618 HydrophobicContact CE1-CD1 4.01Å; Y614-I618 HydrophobicContact CE1-CG1 3.57Å; Y614-I618 HydrophobicContact CE2-CD1 4.43Å; Y614-I618 HydrophobicContact CE2-CG1 4.42Å; Y614-I618 WeakPolarHBondContact O-CG1 3.46Å; Y614-I618 PolarHBondContact O-N 2.89Å; A616-I618 PolarHBondContact O-N 3.24Å; I618-L621 HydrophobicContact CD1-CD1 4.28Å; I618-R622 WeakPolarHBondContact O-CG 3.39Å
619	K	74.4	Confident	72.5	Confident	141 Å²	141	65.3 Å²	65.3	61%	0.613	34%	0.34	S	S	*	.	H	α-helix	trans	-71.2	-36	173.2	-72.2	172	-174.2	178.1	0	111.9	S615 A616 M617	S615-K619 WeakPolarHBondContact O-CD 3.33Å; S615-K619 VanDerWaalsContact O-CG 3.32Å; S615-K619 WeakPolarHBondContact O-CG 3.37Å; A616-K619 PolarHBondContact O-N 2.85Å; M617-K619 VanDerWaalsContact C-N 3.27Å; M617-K619 PolarHBondContact O-N 2.84Å
620	H	76.4	Confident	71.7	Confident	45 Å²	45	61.1 Å²	61.1	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-73.9	-39.4	177	171	58.6	0	0	0	112.7	C604 C607 A616 M617 R622 T623 H624	C604-H620 WeakPolarHBondContact CB-NE2 3.44Å; C604-H620 PolarHBondContact SG-NE2 2.75Å; C604-H620 VanDerWaalsContact SG-NE2 3.42Å; C607-H620 VanDerWaalsContact SG-CE1 3.52Å; C607-H620 PolarHBondContact SG-NE2 3.29Å; A616-H620 PolarHBondContact O-N 3.13Å; M617-H620 CarbonylContact O-C 3.55Å; M617-H620 WeakPolarHBondContact O-CA 3.33Å; M617-H620 WeakPolarHBondContact O-CB 3.24Å; M617-H620 PolarHBondContact O-N 2.92Å; H620-R622 PolarHBondContact O-N 2.82Å; H620-R622 VanDerWaalsContact O-N 3.14Å; H620-T623 PolarHBondContact O-N 3.36Å; H620-T623 PolarHBondContact O-OG1 2.79Å; H620-H624 AromaticContact CD2-NE2 3.93Å; H620-H624 AromaticContact CE1-CE1 3.75Å; H620-H624 AromaticContact CE1-NE2 3.13Å; H620-H624 PolarHBondContact CE1-NE2 2.8Å; H620-H624 AromaticContact NE2-CD2 3.91Å; H620-H624 AromaticContact NE2-CE1 3.96Å; H620-H624 AromaticContact NE2-NE2 3.02Å; H620-H624 PolarHBondContact NE2-NE2 2.87Å
621	L	68.8	Low	71.1	Confident	47 Å²	47	58.2 Å²	58.2	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-28.7	176.2	-72.8	166.6	0	0	0	112.7	M617 I618 T623 H624 N625	M617-L621 HydrophobicContact CG-CD1 3.85Å; M617-L621 HydrophobicContact CG-CG 4.27Å; M617-L621 WeakPolarHBondContact O-CG 3.4Å; M617-L621 PolarHBondContact O-N 3.39Å; M617-L621 HydrophobicContact SD-CD1 4.16Å; M617-L621 HydrophobicContact SD-CD2 4.44Å; M617-L621 HydrophobicContact SD-CG 3.97Å; I618-L621 HydrophobicContact CD1-CD1 4.28Å; L621-T623 VanDerWaalsContact C-N 3.27Å; L621-T623 PolarHBondContact O-N 3.27Å; L621-H624 PolarHBondContact O-N 3.14Å; L621-N625 PolarHBondContact O-N 3.35Å
622	R	72.2	Confident	70.8	Confident	59 Å²	59	57.5 Å²	57.5	22%	0.223	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-21.9	172.4	-64.1	173.5	-165.1	-179.3	-1.2	114.2	I618 H620 H624 G626 A627 P640	I618-R622 WeakPolarHBondContact O-CG 3.39Å; H620-R622 PolarHBondContact O-N 2.82Å; H620-R622 VanDerWaalsContact O-N 3.14Å; R622-H624 VanDerWaalsContact C-N 3.31Å; R622-G626 PolarHBondContact O-N 2.95Å; R622-A627 WeakPolarHBondContact CG-O 3.35Å; R622-P640 PolarHBondContact NH1-O 3.31Å
623	T	70.6	Confident	70.2	Confident	98 Å²	98	56.4 Å²	56.4	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-77.7	-18.8	176.7	68.5	0	0	0	0	112.5	H620 L621	H620-T623 PolarHBondContact O-N 3.36Å; H620-T623 PolarHBondContact O-OG1 2.79Å; L621-T623 VanDerWaalsContact C-N 3.27Å; L621-T623 PolarHBondContact O-N 3.27Å
624	H	64.8	Low	69.8	Low	71 Å²	71	56.3 Å²	56.3	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-83.7	-51.1	173.4	-62.7	-56.1	0	0	0	111.6	C604 L606 C607 H620 L621 R622 G626	C604-H624 VanDerWaalsContact SG-CD2 3.54Å; C604-H624 PolarHBondContact SG-NE2 3.38Å; L606-H624 HydrophobicContact CD1-CB 3.6Å; C607-H624 PolarHBondContact SG-CE1 3.46Å; C607-H624 PolarHBondContact SG-NE2 2.98Å; H620-H624 AromaticContact CD2-NE2 3.93Å; H620-H624 AromaticContact CE1-CE1 3.75Å; H620-H624 AromaticContact CE1-NE2 3.13Å; H620-H624 PolarHBondContact CE1-NE2 2.8Å; H620-H624 AromaticContact NE2-CD2 3.91Å; H620-H624 AromaticContact NE2-CE1 3.96Å; H620-H624 AromaticContact NE2-NE2 3.02Å; H620-H624 PolarHBondContact NE2-NE2 2.87Å; L621-H624 PolarHBondContact O-N 3.14Å; R622-H624 VanDerWaalsContact C-N 3.31Å; H624-G626 VanDerWaalsContact C-N 3.28Å; H624-G626 PolarHBondContact O-N 3.39Å
625	N	62.9	Low	69.8	Low	68 Å²	68	51.7 Å²	51.7	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-82.9	-2.5	-171.8	-63.3	37.7	0	0	0	113.5	L621 A627	L621-N625 PolarHBondContact O-N 3.35Å; N625-A627 HydrophobicContact CB-CB 3.97Å; N625-A627 PolarHBondContact O-N 3.48Å
626	G	61	Low	69.4	Low	62 Å²	62	51.8 Å²	51.8	64%	0.639	30%	0.295	S	S	*	.			trans	61.8	0.4	-168.4	0	0	0	0	0	114.7	R622 H624 S628	R622-G626 PolarHBondContact O-N 2.95Å; H624-G626 VanDerWaalsContact C-N 3.28Å; H624-G626 PolarHBondContact O-N 3.39Å; G626-S628 VanDerWaalsContact C-N 3.33Å; G626-S628 PolarHBondContact O-N 3.07Å
627	A	60.1	Low	69	Low	20 Å²	20	55.2 Å²	55.2	17%	0.165	30%	0.304	C	S	.	.			trans	-71.6	80.7	-167.4	0	0	0	0	0	112.2	R622 N625 P629 L668	R622-A627 WeakPolarHBondContact CG-O 3.35Å; N625-A627 HydrophobicContact CB-CB 3.97Å; N625-A627 PolarHBondContact O-N 3.48Å; A627-P629 WeakPolarHBondContact O-CD 3.48Å; A627-L668 HydrophobicContact CB-CD1 4.26Å
628	S	60.9	Low	68.6	Low	6 Å²	6	61 Å²	61	4%	0.042	33%	0.326	C	S	.	.			trans	-84.3	120.6	169.8	149.4	0	0	0	0	109.8	G626 Y630 C639	G626-S628 VanDerWaalsContact C-N 3.33Å; G626-S628 PolarHBondContact O-N 3.07Å; S628-Y630 PolarHBondContact O-N 3.33Å; S628-Y630 PolarHBondContact OG-N 2.98Å; S628-Y630 PolarHBondContact OG-O 3.43Å; S628-C639 WeakPolarHBondContact CB-O 3.35Å; S628-C639 PolarHBondContact OG-N 3.36Å; S628-C639 PolarHBondContact OG-O 3.09Å
629	P	63.4	Low	68.1	Low	24 Å²	24	59.7 Å²	59.7	16%	0.156	32%	0.32	C	S	.	.	S	Bend	trans	-87.5	21.2	179.5	36.2	-35.7	0	0	0	113	A627 T666	A627-P629 WeakPolarHBondContact O-CD 3.48Å; P629-T666 VanDerWaalsContact C-OG1 3.28Å; P629-T666 WeakPolarHBondContact CA-OG1 3.38Å; P629-T666 WeakPolarHBondContact CB-O 3.35Å; P629-T666 PolarHBondContact O-N 2.87Å; P629-T666 PolarHBondContact O-OG1 3.37Å
630	Y	62.8	Low	67.7	Low	30 Å²	30	56.1 Å²	56.1	12%	0.118	31%	0.312	C	S	.	.			trans	-138.1	102	-178.7	-54.8	-68.4	0	0	0	109.6	S628 C639 L642 M645 I663 K665	S628-Y630 PolarHBondContact O-N 3.33Å; S628-Y630 PolarHBondContact OG-N 2.98Å; S628-Y630 PolarHBondContact OG-O 3.43Å; Y630-C639 PolarHBondContact O-N 2.75Å; Y630-L642 HydrophobicContact CD1-CD2 3.9Å; Y630-L642 HydrophobicContact CD1-CG 4.1Å; Y630-L642 HydrophobicContact CD2-CG 4.38Å; Y630-L642 HydrophobicContact CE1-CD1 3.95Å; Y630-L642 HydrophobicContact CE1-CD2 3.68Å; Y630-L642 HydrophobicContact CE1-CG 3.57Å; Y630-L642 HydrophobicContact CE2-CG 3.9Å; Y630-L642 HydrophobicContact CG-CG 4.48Å; Y630-L642 VanDerWaalsContact CZ-CG 3.48Å; Y630-L642 WeakPolarHBondContact OH-CD1 3.29Å; Y630-M645 WeakPolarHBondContact O-CE 3.04Å; Y630-I663 HydrophobicContact CD1-CG2 3.67Å; Y630-I663 HydrophobicContact CE1-CG2 4.37Å; Y630-K665 HydrophobicContact CD1-CG 4.47Å; Y630-K665 HydrophobicContact CE1-CG 3.89Å
631	Q	68.4	Low	67.3	Low	54 Å²	54	56.1 Å²	56.1	25%	0.252	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-91.3	142.2	175.6	-166.1	169.9	-1	0	0	110.8	T636 E637 Y638 M645	Q631-T636 WeakPolarHBondContact CG-O 3.4Å; Q631-T636 PolarHBondContact NE2-O 3.39Å; Q631-E637 CarbonylContact C-O 3.59Å; Q631-Y638 HydrophobicContact CB-CD1 3.85Å; Q631-Y638 HydrophobicContact CB-CE1 3.61Å; Q631-Y638 VanDerWaalsContact CD-CE1 3.47Å; Q631-Y638 HydrophobicContact CG-CD1 3.96Å; Q631-Y638 HydrophobicContact CG-CE1 3.58Å; Q631-Y638 HydrophobicContact CG-CE2 4.3Å; Q631-Y638 HydrophobicContact CG-CG 4.46Å; Q631-Y638 PolarHBondContact NE2-OH 3.02Å; Q631-Y638 VanDerWaalsContact NE2-OH 3.12Å; Q631-Y638 PolarHBondContact OE1-OH 3.3Å; Q631-M645 WeakPolarHBondContact O-CE 3.47Å
632	C	72.8	Confident	67.5	Low	2 Å²	2	55 Å²	55	1%	0.014	31%	0.31	C	S	.	.			trans	-77.7	124.4	175.9	175.3	0	0	0	0	110	I634 C635 T636 E637 M645 H648 M649	C632-I634 PolarHBondContact O-N 3.39Å; C632-I634 PolarHBondContact SG-N 3.11Å; C632-I634 VanDerWaalsContact SG-N 3.44Å; C632-C635 PolarHBondContact SG-N 3.23Å; C632-C635 VanDerWaalsContact SG-N 3.38Å; C632-C635 PolarHBondContact SG-SG 3.27Å; C632-T636 WeakPolarHBondContact O-CA 3.36Å; C632-T636 PolarHBondContact O-N 3.42Å; C632-E637 HydrophobicContact CB-CB 4.41Å; C632-E637 VanDerWaalsContact CB-O 3.27Å; C632-E637 WeakPolarHBondContact CB-O 3.22Å; C632-E637 PolarHBondContact N-O 3.04Å; C632-M645 HydrophobicContact CB-CE 4.01Å; C632-M645 HydrophobicContact CB-SD 4.22Å; C632-M645 VanDerWaalsContact N-CE 3.35Å; C632-H648 PolarHBondContact SG-NE2 3.06Å; C632-M649 HydrophobicContact CB-CE 4.49Å; C632-M649 WeakPolarHBondContact SG-CE 3.47Å
633	T	66.5	Low	67.6	Low	81 Å²	81	55.5 Å²	55.5	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.1	179.4	123.4	0	0	0	0	114.2	W661	T633-W661 VanDerWaalsContact CB-CZ3 3.43Å; T633-W661 VanDerWaalsContact OG1-CZ3 3.3Å; T633-W661 WeakPolarHBondContact OG1-CZ3 3.36Å
634	I	70.4	Confident	67.8	Low	51 Å²	51	53 Å²	53	26%	0.262	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-59.5	178.9	-66.5	155.5	0	0	0	111.2	C632 M649 H652 E656 I657 W661	C632-I634 PolarHBondContact O-N 3.39Å; C632-I634 PolarHBondContact SG-N 3.11Å; C632-I634 VanDerWaalsContact SG-N 3.44Å; I634-M649 HydrophobicContact CD1-CE 4.28Å; I634-M649 HydrophobicContact CD1-SD 4.36Å; I634-H652 HydrophobicContact CD1-CB 4.14Å; I634-H652 WeakPolarHBondContact CG2-ND1 3.29Å; I634-E656 VanDerWaalsContact CD1-O 3.31Å; I634-E656 WeakPolarHBondContact CD1-O 3.45Å; I634-E656 WeakPolarHBondContact CG1-O 3.48Å; I634-I657 HydrophobicContact CD1-CG1 3.98Å; I634-W661 HydrophobicContact CD1-CE3 4.18Å; I634-W661 HydrophobicContact CD1-CZ3 3.82Å; I634-W661 HydrophobicContact CG1-CE3 4.45Å; I634-W661 HydrophobicContact CG1-CZ3 3.91Å
635	C	75.6	Confident	68.2	Low	48 Å²	48	49.7 Å²	49.7	32%	0.324	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	8.4	-176.2	69.3	0	0	0	0	114.8	C632 E637 H648 H652	C632-C635 PolarHBondContact SG-N 3.23Å; C632-C635 VanDerWaalsContact SG-N 3.38Å; C632-C635 PolarHBondContact SG-SG 3.27Å; C635-E637 PolarHBondContact O-N 2.97Å; C635-H648 PolarHBondContact SG-CE1 3.2Å; C635-H648 PolarHBondContact SG-NE2 2.83Å; C635-H648 VanDerWaalsContact SG-NE2 3.37Å; C635-H652 VanDerWaalsContact SG-CE1 3.56Å
636	T	69.3	Low	68.8	Low	90 Å²	90	51.6 Å²	51.6	55%	0.552	30%	0.301	S	S	*	.			trans	62.7	0.9	179.4	69.1	0	0	0	0	117	Q631 C632	Q631-T636 WeakPolarHBondContact CG-O 3.4Å; Q631-T636 PolarHBondContact NE2-O 3.39Å; C632-T636 WeakPolarHBondContact O-CA 3.36Å; C632-T636 PolarHBondContact O-N 3.42Å
637	E	71.6	Confident	69.6	Low	114 Å²	114	56.4 Å²	56.4	53%	0.533	30%	0.304	S	S	.	.			trans	-62	145.5	176.6	-74.5	-169	173.5	0	0	113.9	Q631 C632 C635 H648	Q631-E637 CarbonylContact C-O 3.59Å; C632-E637 HydrophobicContact CB-CB 4.41Å; C632-E637 VanDerWaalsContact CB-O 3.27Å; C632-E637 WeakPolarHBondContact CB-O 3.22Å; C632-E637 PolarHBondContact N-O 3.04Å; C635-E637 PolarHBondContact O-N 2.97Å; E637-H648 IonicContact OE2-CE1 2.7Å; E637-H648 PolarHBondContact OE2-CE1 3.48Å; E637-H648 IonicContact OE2-ND1 3.45Å; E637-H648 PolarHBondContact OE2-ND1 3.16Å
638	Y	68.9	Low	70.5	Confident	133 Å²	133	57.3 Å²	57.3	52%	0.522	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-103.2	109.8	-175.4	-72.1	-83.8	0	0	0	112	Q631	Q631-Y638 HydrophobicContact CB-CD1 3.85Å; Q631-Y638 HydrophobicContact CB-CE1 3.61Å; Q631-Y638 VanDerWaalsContact CD-CE1 3.47Å; Q631-Y638 HydrophobicContact CG-CD1 3.96Å; Q631-Y638 HydrophobicContact CG-CE1 3.58Å; Q631-Y638 HydrophobicContact CG-CE2 4.3Å; Q631-Y638 HydrophobicContact CG-CG 4.46Å; Q631-Y638 PolarHBondContact NE2-OH 3.02Å; Q631-Y638 VanDerWaalsContact NE2-OH 3.12Å; Q631-Y638 PolarHBondContact OE1-OH 3.3Å
639	C	67.4	Low	71	Confident	10 Å²	10	58 Å²	58	7%	0.068	31%	0.308	C	S	.	.			trans	-93.7	125.7	-179.8	-83.4	0	0	0	0	113.1	S628 Y630 S641 M645	S628-C639 WeakPolarHBondContact CB-O 3.35Å; S628-C639 PolarHBondContact OG-N 3.36Å; S628-C639 PolarHBondContact OG-O 3.09Å; Y630-C639 PolarHBondContact O-N 2.75Å; C639-S641 PolarHBondContact O-N 2.74Å; C639-M645 HydrophobicContact CB-CB 3.91Å; C639-M645 HydrophobicContact CB-CE 3.88Å; C639-M645 HydrophobicContact CB-SD 4.4Å
640	P	66.6	Low	71.7	Confident	66 Å²	66	65.8 Å²	65.8	43%	0.429	34%	0.339	S	S	.	.	S	Bend	trans	-67.9	-11.1	-172.7	25	-34.5	0	0	0	115.4	R622	R622-P640 PolarHBondContact NH1-O 3.31Å
641	S	69.1	Low	72.4	Confident	44 Å²	44	67.6 Å²	67.6	31%	0.308	37%	0.367	S	S	.	.	S	Bend	trans	-151.2	155.7	174.7	69.8	0	0	0	0	112.8	C639 S643 S644 M645	C639-S641 PolarHBondContact O-N 2.74Å; S641-S643 VanDerWaalsContact C-N 3.27Å; S641-S643 PolarHBondContact O-N 3.1Å; S641-S644 WeakPolarHBondContact O-CA 3.31Å; S641-S644 VanDerWaalsContact O-CB 3.26Å; S641-S644 WeakPolarHBondContact O-CB 3.06Å; S641-S644 PolarHBondContact O-N 3.07Å; S641-S644 PolarHBondContact OG-N 3.18Å; S641-M645 PolarHBondContact O-N 3.25Å
642	L	71.7	Confident	72.8	Confident	23 Å²	23	66.6 Å²	66.6	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-54.6	-40.2	174.5	-79.8	159.5	0	0	0	112.9	I289 Y630 S644 M645 Q646 I663	I289-L642 HydrophobicContact CD1-CD1 3.56Å; I289-L642 HydrophobicContact CG1-CD1 4.36Å; I289-L642 HydrophobicContact CG2-CD1 4.4Å; Y630-L642 HydrophobicContact CD1-CD2 3.9Å; Y630-L642 HydrophobicContact CD1-CG 4.1Å; Y630-L642 HydrophobicContact CD2-CG 4.38Å; Y630-L642 HydrophobicContact CE1-CD1 3.95Å; Y630-L642 HydrophobicContact CE1-CD2 3.68Å; Y630-L642 HydrophobicContact CE1-CG 3.57Å; Y630-L642 HydrophobicContact CE2-CG 3.9Å; Y630-L642 HydrophobicContact CG-CG 4.48Å; Y630-L642 VanDerWaalsContact CZ-CG 3.48Å; Y630-L642 WeakPolarHBondContact OH-CD1 3.29Å; L642-S644 PolarHBondContact O-N 2.77Å; L642-M645 PolarHBondContact O-N 3.41Å; L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 VanDerWaalsContact O-CG 3.27Å; L642-Q646 WeakPolarHBondContact O-CG 3.23Å; L642-Q646 PolarHBondContact O-N 3.13Å; L642-I663 HydrophobicContact CD2-CB 4.4Å; L642-I663 HydrophobicContact CD2-CD1 3.5Å; L642-I663 HydrophobicContact CD2-CG2 3.8Å
643	S	74.3	Confident	72.9	Confident	71 Å²	71	72 Å²	72	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-70.2	-18.3	177.5	-50.5	0	0	0	0	113.4	S641 K647	S641-S643 VanDerWaalsContact C-N 3.27Å; S641-S643 PolarHBondContact O-N 3.1Å; S643-K647 WeakPolarHBondContact O-CG 3.36Å
644	S	75.2	Confident	72.8	Confident	46 Å²	46	73.6 Å²	73.6	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-80.4	-46.6	167.9	-160	0	0	0	0	110.3	S641 L642 Q646 K647 H648	S641-S644 WeakPolarHBondContact O-CA 3.31Å; S641-S644 VanDerWaalsContact O-CB 3.26Å; S641-S644 WeakPolarHBondContact O-CB 3.06Å; S641-S644 PolarHBondContact O-N 3.07Å; S641-S644 PolarHBondContact OG-N 3.18Å; L642-S644 PolarHBondContact O-N 2.77Å; S644-Q646 VanDerWaalsContact C-N 3.35Å; S644-Q646 PolarHBondContact O-N 2.79Å; S644-K647 WeakPolarHBondContact O-CB 3.32Å; S644-K647 PolarHBondContact O-N 3.3Å; S644-H648 WeakPolarHBondContact O-CB 3.19Å; S644-H648 PolarHBondContact O-N 3.13Å
645	M	72.6	Confident	72.3	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-58.2	-44.6	176.3	-175.6	57.9	82	0	0	111.9	Y630 Q631 C632 C639 S641 L642 K647 H648 M649 W661	Y630-M645 WeakPolarHBondContact O-CE 3.04Å; Q631-M645 WeakPolarHBondContact O-CE 3.47Å; C632-M645 HydrophobicContact CB-CE 4.01Å; C632-M645 HydrophobicContact CB-SD 4.22Å; C632-M645 VanDerWaalsContact N-CE 3.35Å; C639-M645 HydrophobicContact CB-CB 3.91Å; C639-M645 HydrophobicContact CB-CE 3.88Å; C639-M645 HydrophobicContact CB-SD 4.4Å; S641-M645 PolarHBondContact O-N 3.25Å; L642-M645 PolarHBondContact O-N 3.41Å; M645-K647 PolarHBondContact O-N 3.15Å; M645-H648 PolarHBondContact O-N 3.18Å; M645-M649 HydrophobicContact CG-CG 4.44Å; M645-M649 WeakPolarHBondContact O-CB 3.43Å; M645-M649 WeakPolarHBondContact O-CG 3.47Å; M645-M649 PolarHBondContact O-N 3.47Å; M645-M649 HydrophobicContact SD-CE 4.3Å; M645-M649 HydrophobicContact SD-CG 4.35Å; M645-W661 HydrophobicContact CG-CZ2 4.49Å; M645-W661 HydrophobicContact SD-CZ2 4.24Å
646	Q	75.6	Confident	71.5	Confident	108 Å²	108	81.5 Å²	81.5	51%	0.505	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-16.2	176.3	-72.8	174.3	-35.4	0	0	114.3	L642 S644 K650	L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 VanDerWaalsContact O-CG 3.27Å; L642-Q646 WeakPolarHBondContact O-CG 3.23Å; L642-Q646 PolarHBondContact O-N 3.13Å; S644-Q646 VanDerWaalsContact C-N 3.35Å; S644-Q646 PolarHBondContact O-N 2.79Å; Q646-K650 WeakPolarHBondContact O-CG 3.46Å
647	K	79.5	Confident	71	Confident	163 Å²	163	80.1 Å²	80.1	71%	0.709	42%	0.417	S	S	*	.	H	α-helix	trans	-89.7	-47.5	170.7	-77.2	-179.2	174.8	-168.2	0	111	S643 S644 M645 M649 K650	S643-K647 WeakPolarHBondContact O-CG 3.36Å; S644-K647 WeakPolarHBondContact O-CB 3.32Å; S644-K647 PolarHBondContact O-N 3.3Å; M645-K647 PolarHBondContact O-N 3.15Å; K647-M649 VanDerWaalsContact C-N 3.27Å; K647-M649 PolarHBondContact O-N 3.16Å; K647-K650 PolarHBondContact O-N 3.47Å
648	H	78.9	Confident	70.4	Confident	40 Å²	40	77.4 Å²	77.4	19%	0.185	41%	0.409	C	S	.	.	H	α-helix	trans	-53.4	-44	173.5	169.9	90.1	0	0	0	111.2	C632 C635 E637 S644 M645 K650 G651 H652	C632-H648 PolarHBondContact SG-NE2 3.06Å; C635-H648 PolarHBondContact SG-CE1 3.2Å; C635-H648 PolarHBondContact SG-NE2 2.83Å; C635-H648 VanDerWaalsContact SG-NE2 3.37Å; E637-H648 IonicContact OE2-CE1 2.7Å; E637-H648 PolarHBondContact OE2-CE1 3.48Å; E637-H648 IonicContact OE2-ND1 3.45Å; E637-H648 PolarHBondContact OE2-ND1 3.16Å; S644-H648 WeakPolarHBondContact O-CB 3.19Å; S644-H648 PolarHBondContact O-N 3.13Å; M645-H648 PolarHBondContact O-N 3.18Å; H648-K650 VanDerWaalsContact C-N 3.25Å; H648-K650 PolarHBondContact O-N 2.94Å; H648-G651 WeakPolarHBondContact O-CA 3.45Å; H648-G651 PolarHBondContact O-N 3.05Å; H648-H652 AromaticContact CD2-NE2 3.57Å; H648-H652 AromaticContact CE1-NE2 3.48Å; H648-H652 PolarHBondContact CE1-NE2 2.96Å; H648-H652 AromaticContact NE2-CD2 3.87Å; H648-H652 AromaticContact NE2-CE1 3.96Å; H648-H652 AromaticContact NE2-NE2 2.97Å; H648-H652 PolarHBondContact NE2-NE2 3.21Å; H648-H652 PolarHBondContact O-CD2 2.72Å
649	M	71	Confident	69.8	Low	19 Å²	19	77.4 Å²	77.4	9%	0.094	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-57.2	-29.8	173.1	-80.9	-61.8	104.2	0	0	115.3	C632 I634 M645 K647 G651 H652 W661	C632-M649 HydrophobicContact CB-CE 4.49Å; C632-M649 WeakPolarHBondContact SG-CE 3.47Å; I634-M649 HydrophobicContact CD1-CE 4.28Å; I634-M649 HydrophobicContact CD1-SD 4.36Å; M645-M649 HydrophobicContact CG-CG 4.44Å; M645-M649 WeakPolarHBondContact O-CB 3.43Å; M645-M649 WeakPolarHBondContact O-CG 3.47Å; M645-M649 PolarHBondContact O-N 3.47Å; M645-M649 HydrophobicContact SD-CE 4.3Å; M645-M649 HydrophobicContact SD-CG 4.35Å; K647-M649 VanDerWaalsContact C-N 3.27Å; K647-M649 PolarHBondContact O-N 3.16Å; M649-G651 PolarHBondContact O-N 2.86Å; M649-H652 WeakPolarHBondContact CE-CD2 3.4Å; M649-H652 PolarHBondContact O-N 3.35Å; M649-W661 HydrophobicContact CE-CE3 4.49Å; M649-W661 HydrophobicContact CE-CH2 3.19Å; M649-W661 HydrophobicContact CE-CZ2 3.8Å; M649-W661 HydrophobicContact CE-CZ3 3.6Å; M649-W661 HydrophobicContact CG-CH2 4.2Å; M649-W661 HydrophobicContact CG-CZ2 3.82Å; M649-W661 HydrophobicContact SD-CD2 3.86Å; M649-W661 HydrophobicContact SD-CE3 3.72Å; M649-W661 HydrophobicContact SD-CH2 3.24Å; M649-W661 WeakPolarHBondContact SD-CH2 3.25Å; M649-W661 HydrophobicContact SD-CZ2 3.39Å; M649-W661 WeakPolarHBondContact SD-CZ2 3.38Å; M649-W661 HydrophobicContact SD-CZ3 3.4Å; M649-W661 WeakPolarHBondContact SD-CZ3 3.41Å
650	K	78.6	Confident	69.2	Low	189 Å²	189	83 Å²	83	82%	0.822	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-80.9	-0.7	175.8	-65	-176.3	178.1	-160.3	0	113.3	Q646 K647 H648	Q646-K650 WeakPolarHBondContact O-CG 3.46Å; K647-K650 PolarHBondContact O-N 3.47Å; H648-K650 VanDerWaalsContact C-N 3.25Å; H648-K650 PolarHBondContact O-N 2.94Å
651	G	75.8	Confident	68.7	Low	67 Å²	67	82.4 Å²	82.4	69%	0.691	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-98.5	-10.8	170.6	0	0	0	0	0	114.3	H648 M649	H648-G651 WeakPolarHBondContact O-CA 3.45Å; H648-G651 PolarHBondContact O-N 3.05Å; M649-G651 PolarHBondContact O-N 2.86Å
652	H	77.8	Confident	67.9	Low	33 Å²	33	89.3 Å²	89.3	15%	0.153	46%	0.463	C	S	.	.	S	Bend	trans	-78.9	152.8	172.3	-72.5	-87.1	0	0	0	110.6	I634 C635 H648 M649 I657	I634-H652 HydrophobicContact CD1-CB 4.14Å; I634-H652 WeakPolarHBondContact CG2-ND1 3.29Å; C635-H652 VanDerWaalsContact SG-CE1 3.56Å; H648-H652 AromaticContact CD2-NE2 3.57Å; H648-H652 AromaticContact CE1-NE2 3.48Å; H648-H652 PolarHBondContact CE1-NE2 2.96Å; H648-H652 AromaticContact NE2-CD2 3.87Å; H648-H652 AromaticContact NE2-CE1 3.96Å; H648-H652 AromaticContact NE2-NE2 2.97Å; H648-H652 PolarHBondContact NE2-NE2 3.21Å; H648-H652 PolarHBondContact O-CD2 2.72Å; M649-H652 WeakPolarHBondContact CE-CD2 3.4Å; M649-H652 PolarHBondContact O-N 3.35Å; H652-I657 HydrophobicContact CB-CD1 4.2Å; H652-I657 HydrophobicContact CB-CG1 4.04Å
653	K	74.4	Confident	67.1	Low	115 Å²	115	90.9 Å²	90.9	50%	0.5	47%	0.471	S	S	.	.			trans	-67.3	140.6	176.8	-54.3	-160.9	-157.6	92	0	109.5	E655 E656 I657	K653-E655 PolarHBondContact O-N 3.19Å; K653-E655 VanDerWaalsContact O-N 3.11Å; K653-E656 HydrophobicContact CB-CB 4.45Å; K653-E656 HydrophobicContact CB-CG 4.23Å; K653-E656 IonicContact NZ-OE1 2.81Å; K653-E656 PolarHBondContact NZ-OE1 3.25Å; K653-E656 PolarHBondContact O-N 2.91Å; K653-I657 PolarHBondContact O-N 2.76Å
654	P	64	Low	65.9	Low	115 Å²	115	93.8 Å²	93.8	75%	0.747	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.8	179.2	25.6	-34.4	0	0	0	113.5	E656	P654-E656 VanDerWaalsContact C-N 3.34Å
655	E	61.1	Low	64.5	Low	180 Å²	180	96.9 Å²	96.9	84%	0.841	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.2	173.9	-59.3	175.2	148.2	0	0	113.4	K653	K653-E655 PolarHBondContact O-N 3.19Å; K653-E655 VanDerWaalsContact O-N 3.11Å
656	E	57.7	Low	63.2	Low	85 Å²	85	99 Å²	99	40%	0.397	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.6	-177.7	-68.5	166.3	-167.7	0	0	112.4	I634 K653 P654 P658	I634-E656 VanDerWaalsContact CD1-O 3.31Å; I634-E656 WeakPolarHBondContact CD1-O 3.45Å; I634-E656 WeakPolarHBondContact CG1-O 3.48Å; K653-E656 HydrophobicContact CB-CB 4.45Å; K653-E656 HydrophobicContact CB-CG 4.23Å; K653-E656 IonicContact NZ-OE1 2.81Å; K653-E656 PolarHBondContact NZ-OE1 3.25Å; K653-E656 PolarHBondContact O-N 2.91Å; P654-E656 VanDerWaalsContact C-N 3.34Å; E656-P658 WeakPolarHBondContact O-CD 3.37Å
657	I	59.3	Low	61.5	Low	61 Å²	61	102.7 Å²	102.7	31%	0.313	51%	0.508	S	S	.	.	S	Bend	trans	-91	115.1	179.3	-60.8	170.6	0	0	0	109.1	I634 H652 K653 W661	I634-I657 HydrophobicContact CD1-CG1 3.98Å; H652-I657 HydrophobicContact CB-CD1 4.2Å; H652-I657 HydrophobicContact CB-CG1 4.04Å; K653-I657 PolarHBondContact O-N 2.76Å; I657-W661 HydrophobicContact CG2-CB 4.42Å
658	P	59.2	Low	59.7	Low	58 Å²	58	100.4 Å²	100.4	38%	0.377	50%	0.503	S	S	.	.			trans	-61.2	139.4	174.7	-21.4	33.5	0	0	0	110.9	E656 D660 W661	E656-P658 WeakPolarHBondContact O-CD 3.37Å; P658-D660 PolarHBondContact O-N 2.72Å; P658-W661 WeakPolarHBondContact O-CB 3.42Å; P658-W661 PolarHBondContact O-N 3.43Å
659	P	55.9	Low	57.7	Low	132 Å²	132	108.4 Å²	108.4	86%	0.857	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.7	179.1	23.2	-33	0	0	0	112	W661	P659-W661 VanDerWaalsContact C-N 3.34Å; P659-W661 PolarHBondContact O-N 3.39Å
660	D	55	Low	56	Low	129 Å²	129	111.9 Å²	111.9	69%	0.69	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	31.9	176.3	-62.6	-27.7	0	0	0	113	P658 R662	P658-D660 PolarHBondContact O-N 2.72Å; D660-R662 WeakPolarHBondContact O-CG 3.41Å; D660-R662 PolarHBondContact O-N 3.21Å; D660-R662 VanDerWaalsContact O-N 3.15Å
661	W	56	Low	53.7	Low	52 Å²	52	107.9 Å²	107.9	20%	0.197	55%	0.546	C	S	.	.			trans	-51.4	122.1	178.3	165.4	-77.9	0	0	0	111.3	T633 I634 M645 M649 I657 P658 P659	T633-W661 VanDerWaalsContact CB-CZ3 3.43Å; T633-W661 VanDerWaalsContact OG1-CZ3 3.3Å; T633-W661 WeakPolarHBondContact OG1-CZ3 3.36Å; I634-W661 HydrophobicContact CD1-CE3 4.18Å; I634-W661 HydrophobicContact CD1-CZ3 3.82Å; I634-W661 HydrophobicContact CG1-CE3 4.45Å; I634-W661 HydrophobicContact CG1-CZ3 3.91Å; M645-W661 HydrophobicContact CG-CZ2 4.49Å; M645-W661 HydrophobicContact SD-CZ2 4.24Å; M649-W661 HydrophobicContact CE-CE3 4.49Å; M649-W661 HydrophobicContact CE-CH2 3.19Å; M649-W661 HydrophobicContact CE-CZ2 3.8Å; M649-W661 HydrophobicContact CE-CZ3 3.6Å; M649-W661 HydrophobicContact CG-CH2 4.2Å; M649-W661 HydrophobicContact CG-CZ2 3.82Å; M649-W661 HydrophobicContact SD-CD2 3.86Å; M649-W661 HydrophobicContact SD-CE3 3.72Å; M649-W661 HydrophobicContact SD-CH2 3.24Å; M649-W661 WeakPolarHBondContact SD-CH2 3.25Å; M649-W661 HydrophobicContact SD-CZ2 3.39Å; M649-W661 WeakPolarHBondContact SD-CZ2 3.38Å; M649-W661 HydrophobicContact SD-CZ3 3.4Å; M649-W661 WeakPolarHBondContact SD-CZ3 3.41Å; I657-W661 HydrophobicContact CG2-CB 4.42Å; P658-W661 WeakPolarHBondContact O-CB 3.42Å; P658-W661 PolarHBondContact O-N 3.43Å; P659-W661 VanDerWaalsContact C-N 3.34Å; P659-W661 PolarHBondContact O-N 3.39Å
662	R	52.9	Low	51.6	Low	189 Å²	189	113.9 Å²	113.9	71%	0.713	55%	0.55	S	S	*	.			trans	-113.7	139.6	174.2	-63.4	-175.6	-169.2	-139	-4.7	110.4	D660 E664	D660-R662 WeakPolarHBondContact O-CG 3.41Å; D660-R662 PolarHBondContact O-N 3.21Å; D660-R662 VanDerWaalsContact O-N 3.15Å; R662-E664 PolarHBondContact O-N 3.26Å
663	I	54.7	Low	49.4	Very low	56 Å²	56	122.6 Å²	122.6	29%	0.287	61%	0.605	S	S	.	*			trans	-88.3	101.2	174.7	-54	174.8	0	0	0	108.5	Y630 L642	Y630-I663 HydrophobicContact CD1-CG2 3.67Å; Y630-I663 HydrophobicContact CE1-CG2 4.37Å; L642-I663 HydrophobicContact CD2-CB 4.4Å; L642-I663 HydrophobicContact CD2-CD1 3.5Å; L642-I663 HydrophobicContact CD2-CG2 3.8Å
664	E	47.8	Very low	48.1	Very low	133 Å²	133	123 Å²	123	62%	0.621	61%	0.61	S	S	*	*			trans	-66.2	138.8	171.2	-60.3	-161.3	147.6	0	0	111	R662	R662-E664 PolarHBondContact O-N 3.26Å
665	K	46.7	Very low	47.3	Very low	110 Å²	110	123.4 Å²	123.4	48%	0.478	60%	0.603	S	S	.	*			trans	-104.6	102.5	175.9	-76.5	173.6	-176.9	165	0	108.8	Y630 Y667	Y630-K665 HydrophobicContact CD1-CG 4.47Å; Y630-K665 HydrophobicContact CE1-CG 3.89Å; K665-Y667 HydrophobicContact CB-CD2 4.13Å; K665-Y667 HydrophobicContact CB-CE2 3.76Å; K665-Y667 HydrophobicContact CD-CE2 4.31Å; K665-Y667 VanDerWaalsContact O-CD2 3.31Å; K665-Y667 WeakPolarHBondContact O-CD2 3.49Å; K665-Y667 PolarHBondContact O-N 3.07Å; K665-Y667 VanDerWaalsContact O-N 3.15Å
666	T	44.3	Very low	46.5	Very low	44 Å²	44	120.3 Å²	120.3	27%	0.27	59%	0.589	S	S	.	*			trans	-75.2	102.8	171.2	41.2	0	0	0	0	109.4	P629 L668	P629-T666 VanDerWaalsContact C-OG1 3.28Å; P629-T666 WeakPolarHBondContact CA-OG1 3.38Å; P629-T666 WeakPolarHBondContact CB-O 3.35Å; P629-T666 PolarHBondContact O-N 2.87Å; P629-T666 PolarHBondContact O-OG1 3.37Å; T666-L668 PolarHBondContact O-N 2.94Å
667	Y	41.8	Very low	45.8	Very low	187 Å²	187	122.4 Å²	122.4	73%	0.733	60%	0.601	S	S	*	*			trans	-76.2	70	176.6	-78.9	-93.5	0	0	0	111.3	K665 Y669	K665-Y667 HydrophobicContact CB-CD2 4.13Å; K665-Y667 HydrophobicContact CB-CE2 3.76Å; K665-Y667 HydrophobicContact CD-CE2 4.31Å; K665-Y667 VanDerWaalsContact O-CD2 3.31Å; K665-Y667 WeakPolarHBondContact O-CD2 3.49Å; K665-Y667 PolarHBondContact O-N 3.07Å; K665-Y667 VanDerWaalsContact O-N 3.15Å; Y667-Y669 PolarHBondContact O-N 3.22Å
668	L	40.9	Very low	45	Very low	115 Å²	115	126.2 Å²	126.2	60%	0.602	62%	0.619	S	S	*	*			trans	-62.1	107.9	164.9	-81.6	165.6	0	0	0	109.2	A627 T666 L670	A627-L668 HydrophobicContact CB-CD1 4.26Å; T666-L668 PolarHBondContact O-N 2.94Å; L668-L670 PolarHBondContact O-N 3.27Å
669	Y	36	Very low	44.1	Very low	207 Å²	207	130.7 Å²	130.7	81%	0.812	64%	0.635	S	S	*	*			trans	-62.8	120.4	173.2	-104.8	-107.9	0	0	0	109.5	Y667 C671	Y667-Y669 PolarHBondContact O-N 3.22Å; Y669-C671 PolarHBondContact O-N 3.02Å
670	L	36.5	Very low	43.2	Very low	93 Å²	93	130.6 Å²	130.6	49%	0.487	62%	0.619	S	S	.	*			trans	-77.8	74.8	174.7	-77.2	167.9	0	0	0	110.1	L668 Y672	L668-L670 PolarHBondContact O-N 3.27Å; L670-Y672 PolarHBondContact O-N 3.46Å
671	C	30.3	Very low	42.3	Very low	105 Å²	105	130.8 Å²	130.8	71%	0.709	61%	0.614	S	S	*	*			trans	-76.4	70.7	167.7	-69.9	0	0	0	0	110.6	Y669	Y669-C671 PolarHBondContact O-N 3.02Å
672	Y	30.8	Very low	41.2	Very low	193 Å²	193	137.3 Å²	137.3	76%	0.757	65%	0.648	S	S	*	*			trans	-135.2	107.1	161.1	-93.9	-82.8	0	0	0	108.2	L670	L670-Y672 PolarHBondContact O-N 3.46Å
673	V	31.5	Very low	40.1	Very low	216 Å²	216	132.6 Å²	132.6	100%	1.309	64%	0.642	S	S	*	*			trans	-92.2	0	165	176.6	0	0	0	0	107.2

Retrieved 673 of 673 residues in 133.3 ms (Link to these results)

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