A0A077Z1L1_TRITR Loading...

Ank 2 and BTB domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1L1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 911 aa.

						>A0A077Z1L1_TRITR|A0A077Z1L1
MKHMQGVQVKLPDPLVDRILLLLLRDYNSRTSATAPIWAVYEIVYARQQSAELKIVFRMVDTVCKKKVLNQVRCPPPREPRRVQCKIYVAERVSAKNMLCKALDPVKAKRHITYTYTRYETIRWWWRYTETKNVASRESSTIDASQIHGGVQINLTAVAYIAVLKLNREQAISDRIVNHFGRSKIYSARNVYEAVVYVAETECSKSKYASMALQQPPCAFIYPGKSYECFVSISKSELKVQGPVRCGPTDKESDVLDIPDAHSKNLLQIFMREYNSRTCPEAMLWALYGISVIRKVNNEYKAVIEIAETTCTKQMPPNAKCRFFNGAHKRQCRVAIEPSVKRTRMLCEQMKEIEKMSTSSTVYQKYQIKRWLWDPIFSLEKVIVDNNEHILMGDDNMQFISRDAIGKQAAEVLNWKQNISRLLLMHFGEVELSYKGGSYEAVVHLAESNCLKQRQIGKSVLWYCIAMDLQELFRSCRTGDMEKLRYLVEEREVMVNVRDKWDSTPLYYACLCGHYDVVEYLLNLGTLRFQSQHFTRAPNVFDRGKMPSEHIRRLFESGEHSDFTFRLLGNKNLHLHRCVLTARSAFFREKFYGAWRYKDSIAMRNKHVNPIAFEALMRYLYTGSLELPIHLKDDLVMIAKQCKIASLLEKMEICCRKTRLFESTKPGTCVTNIVIEPTADCSELKESFCQLAFQAMRQTKENDEAVELTSFYDVIFELDSSRFRCHQAFFCLKSEYFRTLLHSPLVRRESNIGACDSIKLGQFSDSVFKYVITHVYCEDVKLDVETVDDVLMVANFCLLPGLKRQCGLLMAQHLDTQNVCAALRAARLFQLHRLENQCYKFMADHLEEVIDECSFREMVVEDAQSLRYREDCDSIEVIDSIRYNLTFATLDEASEKFSMIDALLDELNLNA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.5	Very low	29.1	Very low	222 Å²	222	148.2 Å²	148.2	100%	1.094	76%	0.762	S	S	*	*				0	103.4	0	-70.6	137.9	158.7	0	0	109.4
2	K	26.2	Very low	30	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	77%	0.767	S	S	*	*			trans	-136.6	17.7	173.3	-81.9	-166	172.4	-172.4	0	112.9
3	H	30.7	Very low	30.5	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.875	74%	0.737	S	S	*	*	S	Bend	trans	-132.8	25.4	-171.3	-83.5	-63.6	0	0	0	113.2
4	M	29.4	Very low	31.3	Very low	142 Å²	142	137.4 Å²	137.4	70%	0.7	73%	0.729	S	S	*	*			trans	-127.2	37.4	179.7	-60.4	-156.8	-50.1	0	0	113.5
5	Q	24.3	Very low	31.9	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	72%	0.719	S	S	*	*	S	Bend	trans	-74.3	130.7	154.9	-72.3	174.2	-57.3	0	0	107.8
6	G	27.6	Very low	32.6	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	69%	0.694	S	S	*	*	S	Bend	trans	104.5	7.8	169.1	0	0	0	0	0	118.6
7	V	25.9	Very low	33.2	Very low	106 Å²	106	126.9 Å²	126.9	64%	0.642	68%	0.675	S	S	*	*			trans	-93.8	100	176.9	-176	0	0	0	0	111.5	V9	V7-V9 HydrophobicContact CG1-CG2 4.49Å; V7-V9 PolarHBondContact O-N 3.31Å
8	Q	26.7	Very low	33.8	Very low	158 Å²	158	128.2 Å²	128.2	74%	0.738	67%	0.669	S	S	*	*			trans	-64.6	113.8	162.9	-76.4	-172.4	-11	0	0	109.9	K10	Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3Å
9	V	28.4	Very low	34.3	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	66%	0.656	S	S	*	*			trans	-81.5	76.1	174	-173.8	0	0	0	0	109.6	V7 L11	V7-V9 HydrophobicContact CG1-CG2 4.49Å; V7-V9 PolarHBondContact O-N 3.31Å; V9-L11 PolarHBondContact O-N 3.49Å
10	K	30.3	Very low	34.8	Very low	168 Å²	168	123.4 Å²	123.4	73%	0.73	64%	0.644	S	S	*	*			trans	-62.4	117.8	166.9	-76.9	-172.3	174.9	-177.9	0	109.1	Q8	Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3Å
11	L	38.3	Very low	35.4	Very low	39 Å²	39	121.7 Å²	121.7	20%	0.204	64%	0.635	C	S	.	*			trans	-63.5	136.3	169	-79.6	169.8	0	0	0	108.9	V9 D13 V16 D17	V9-L11 PolarHBondContact O-N 3.49Å; L11-D13 PolarHBondContact O-N 3.5Å; L11-V16 HydrophobicContact CD1-CG1 4.45Å; L11-D17 HydrophobicContact CD1-CB 4.16Å
12	P	39.9	Very low	35.9	Very low	126 Å²	126	114.9 Å²	114.9	82%	0.818	60%	0.603	S	S	*	*	S	Bend	trans	-66.2	-5.2	-175.2	-23.8	34.6	0	0	0	115.7
13	D	37	Very low	36.5	Very low	72 Å²	72	110.6 Å²	110.6	39%	0.385	59%	0.589	S	S	.	*			trans	-144.2	111	-175.7	-178.3	-0.1	0	0	0	109.4	L11 L15 V16	L11-D13 PolarHBondContact O-N 3.5Å; D13-L15 PolarHBondContact O-N 3.2Å; D13-L15 VanDerWaalsContact O-N 3.13Å; D13-L15 WeakPolarHBondContact OD1-CB 3.28Å; D13-L15 PolarHBondContact OD1-N 3.17Å; D13-V16 HydrophobicContact CB-CB 4.46Å; D13-V16 HydrophobicContact CB-CG2 3.98Å; D13-V16 PolarHBondContact O-N 3.39Å
14	P	41.8	Very low	37.1	Very low	96 Å²	96	105.3 Å²	105.3	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-58.2	-20.9	175	-24.9	34.9	0	0	0	113.8	R18	P14-R18 WeakPolarHBondContact O-CB 3.34Å; P14-R18 PolarHBondContact O-N 3Å
15	L	39.4	Very low	37.6	Very low	109 Å²	109	106.3 Å²	106.3	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-67	-37.9	174.2	-157.7	84.9	0	0	0	111.2	D13 I19	D13-L15 PolarHBondContact O-N 3.2Å; D13-L15 VanDerWaalsContact O-N 3.13Å; D13-L15 WeakPolarHBondContact OD1-CB 3.28Å; D13-L15 PolarHBondContact OD1-N 3.17Å; L15-I19 HydrophobicContact CD2-CD1 4.09Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 VanDerWaalsContact O-CB 3.3Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 WeakPolarHBondContact O-CD1 3.2Å; L15-I19 WeakPolarHBondContact O-CG1 3.28Å; L15-I19 PolarHBondContact O-N 2.64Å
16	V	42.5	Very low	38.2	Very low	53 Å²	53	100.7 Å²	100.7	32%	0.321	54%	0.539	S	S	.	.	H	α-helix	trans	-68.7	-39.3	178.7	175.5	0	0	0	0	110.9	L11 D13 I19 L20	L11-V16 HydrophobicContact CD1-CG1 4.45Å; D13-V16 HydrophobicContact CB-CB 4.46Å; D13-V16 HydrophobicContact CB-CG2 3.98Å; D13-V16 PolarHBondContact O-N 3.39Å; V16-I19 PolarHBondContact O-N 2.88Å; V16-L20 HydrophobicContact CG1-CD1 4.45Å; V16-L20 PolarHBondContact O-N 3.45Å
17	D	44	Very low	38.8	Very low	71 Å²	71	101 Å²	101	38%	0.38	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-51.3	174.4	-125.2	-26.4	0	0	0	110.9	L11 I19 L20 L21	L11-D17 HydrophobicContact CD1-CB 4.16Å; D17-I19 VanDerWaalsContact C-N 3.28Å; D17-I19 PolarHBondContact O-N 3.49Å; D17-L20 PolarHBondContact O-N 2.76Å; D17-L20 VanDerWaalsContact O-N 3.15Å; D17-L21 WeakPolarHBondContact O-CB 3.49Å; D17-L21 WeakPolarHBondContact O-CG 3.26Å; D17-L21 PolarHBondContact O-N 3.35Å
18	R	44	Very low	39.4	Very low	150 Å²	150	98 Å²	98	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-58.4	-36.6	174.6	-79.4	-175.4	168.4	-174.6	-3.1	112.3	P14 L22	P14-R18 WeakPolarHBondContact O-CB 3.34Å; P14-R18 PolarHBondContact O-N 3Å; R18-L22 WeakPolarHBondContact O-CB 3.31Å; R18-L22 WeakPolarHBondContact O-CD1 3.41Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.03Å
19	I	42.5	Very low	39.9	Very low	81 Å²	81	93.3 Å²	93.3	42%	0.415	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-42.9	176.2	-75.1	164.1	0	0	0	111.4	L15 V16 D17 L22 L23	L15-I19 HydrophobicContact CD2-CD1 4.09Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 VanDerWaalsContact O-CB 3.3Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 WeakPolarHBondContact O-CD1 3.2Å; L15-I19 WeakPolarHBondContact O-CG1 3.28Å; L15-I19 PolarHBondContact O-N 2.64Å; V16-I19 PolarHBondContact O-N 2.88Å; D17-I19 VanDerWaalsContact C-N 3.28Å; D17-I19 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 3.3Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.42Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 VanDerWaalsContact O-CG 3.23Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 2.91Å
20	L	44.3	Very low	40.1	Very low	79 Å²	79	93 Å²	93	41%	0.414	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-46.9	175.1	-97.1	155.6	0	0	0	111.6	V16 D17 L23 L24	V16-L20 HydrophobicContact CG1-CD1 4.45Å; V16-L20 PolarHBondContact O-N 3.45Å; D17-L20 PolarHBondContact O-N 2.76Å; D17-L20 VanDerWaalsContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 2.98Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.09Å
21	L	46.9	Very low	40.1	Very low	88 Å²	88	92.2 Å²	92.2	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.5	-69.5	167.5	0	0	0	112.3	D17 L24 R25 L828	D17-L21 WeakPolarHBondContact O-CB 3.49Å; D17-L21 WeakPolarHBondContact O-CG 3.26Å; D17-L21 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-R25 VanDerWaalsContact O-CB 3.31Å; L21-R25 WeakPolarHBondContact O-CB 3.4Å; L21-R25 PolarHBondContact O-N 3.13Å; L21-L828 HydrophobicContact CD2-CD1 4.23Å
22	L	43.1	Very low	40.1	Very low	79 Å²	79	94.7 Å²	94.7	41%	0.414	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.2	-77.1	168.5	0	0	0	112.5	R18 I19 R25 D26	R18-L22 WeakPolarHBondContact O-CB 3.31Å; R18-L22 WeakPolarHBondContact O-CD1 3.41Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.03Å; I19-L22 PolarHBondContact O-N 3.3Å; L22-R25 PolarHBondContact O-N 3.08Å; L22-D26 WeakPolarHBondContact O-CB 2.97Å; L22-D26 PolarHBondContact O-N 2.83Å
23	L	39.3	Very low	39.7	Very low	113 Å²	113	91.3 Å²	91.3	59%	0.592	48%	0.479	S	S	*	.	H	α-helix	trans	-64.9	-39.8	175.9	-75.1	168.4	0	0	0	111.4	I19 L20 Y27	I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.42Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 VanDerWaalsContact O-CG 3.23Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 2.91Å; L20-L23 PolarHBondContact O-N 2.98Å; L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 2.95Å
24	L	44	Very low	39.4	Very low	79 Å²	79	92.1 Å²	92.1	41%	0.414	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-42.9	174	-70.3	166.7	0	0	0	111.9	L20 L21 Y27 N28	L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.09Å; L21-L24 PolarHBondContact O-N 3.43Å; L24-Y27 PolarHBondContact O-N 3.06Å; L24-N28 WeakPolarHBondContact O-CB 3.13Å; L24-N28 PolarHBondContact O-N 3.4Å
25	R	39.8	Very low	39.2	Very low	163 Å²	163	91.5 Å²	91.5	62%	0.615	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-46.7	177	-172.7	175.9	-178.5	173	2.9	111.9	L21 L22 S29	L21-R25 VanDerWaalsContact O-CB 3.31Å; L21-R25 WeakPolarHBondContact O-CB 3.4Å; L21-R25 PolarHBondContact O-N 3.13Å; L22-R25 PolarHBondContact O-N 3.08Å; R25-S29 PolarHBondContact O-N 2.78Å
26	D	37	Very low	39.1	Very low	78 Å²	78	88.9 Å²	88.9	42%	0.417	48%	0.479	S	S	.	.	H	α-helix	trans	-73.7	-32	179.6	-158.2	21.4	0	0	0	111.9	L22 S29 R30	L22-D26 WeakPolarHBondContact O-CB 2.97Å; L22-D26 PolarHBondContact O-N 2.83Å; D26-S29 PolarHBondContact O-N 3.28Å; D26-S29 PolarHBondContact O-OG 2.63Å; D26-S29 PolarHBondContact OD1-OG 2.93Å; D26-R30 IonicContact OD1-CZ 2.9Å; D26-R30 IonicContact OD1-NE 2.78Å; D26-R30 PolarHBondContact OD1-NE 2.99Å; D26-R30 IonicContact OD1-NH2 2.96Å; D26-R30 PolarHBondContact OD1-NH2 3.11Å; D26-R30 IonicContact OD2-CZ 2.73Å; D26-R30 IonicContact OD2-NH2 2.76Å; D26-R30 PolarHBondContact OD2-NH2 3.27Å
27	Y	40.3	Very low	38.8	Very low	88 Å²	88	89.4 Å²	89.4	35%	0.345	48%	0.479	S	S	.	.	H	α-helix	trans	-65.6	-49.4	172.7	176.6	-112.2	0	0	0	112.6	L23 L24 S29 R30 P36	L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 2.95Å; L24-Y27 PolarHBondContact O-N 3.06Å; Y27-S29 PolarHBondContact O-N 2.96Å; Y27-R30 PolarHBondContact O-N 3.43Å; Y27-R30 VanDerWaalsContact O-N 3.13Å; Y27-P36 HydrophobicContact CD2-CG 4.16Å; Y27-P36 HydrophobicContact CE2-CB 4.23Å; Y27-P36 HydrophobicContact CE2-CG 3.81Å
28	N	38.1	Very low	38.5	Very low	41 Å²	41	93.4 Å²	93.4	22%	0.219	49%	0.489	C	S	.	.	H	α-helix	trans	-61.3	-16.3	177.9	-70.9	-10.2	0	0	0	112.7	L24 L828 Q830	L24-N28 WeakPolarHBondContact O-CB 3.13Å; L24-N28 PolarHBondContact O-N 3.4Å; N28-L828 PolarHBondContact ND2-O 3.1Å; N28-Q830 PolarHBondContact O-NE2 2.93Å; N28-Q830 PolarHBondContact O-OE1 3.24Å
29	S	36.5	Very low	38.1	Very low	60 Å²	60	88.4 Å²	88.4	42%	0.42	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.4	177.4	79.2	0	0	0	0	115.2	R25 D26 Y27	R25-S29 PolarHBondContact O-N 2.78Å; D26-S29 PolarHBondContact O-N 3.28Å; D26-S29 PolarHBondContact O-OG 2.63Å; D26-S29 PolarHBondContact OD1-OG 2.93Å; Y27-S29 PolarHBondContact O-N 2.96Å
30	R	33.8	Very low	38.1	Very low	119 Å²	119	88.7 Å²	88.7	45%	0.449	49%	0.485	S	S	.	.			trans	-131.8	116.4	-166.3	-52.2	-169.2	-166.5	-171.3	8.8	115	D26 Y27 S32	D26-R30 IonicContact OD1-CZ 2.9Å; D26-R30 IonicContact OD1-NE 2.78Å; D26-R30 PolarHBondContact OD1-NE 2.99Å; D26-R30 IonicContact OD1-NH2 2.96Å; D26-R30 PolarHBondContact OD1-NH2 3.11Å; D26-R30 IonicContact OD2-CZ 2.73Å; D26-R30 IonicContact OD2-NH2 2.76Å; D26-R30 PolarHBondContact OD2-NH2 3.27Å; Y27-R30 PolarHBondContact O-N 3.43Å; Y27-R30 VanDerWaalsContact O-N 3.13Å; R30-S32 PolarHBondContact O-N 2.74Å
31	T	29.5	Very low	37.9	Very low	153 Å²	153	91.7 Å²	91.7	94%	0.939	49%	0.492	S	S	*	.			trans	-73.3	82.8	178	55.6	0	0	0	0	113.1
32	S	37.5	Very low	37.5	Very low	90 Å²	90	93.1 Å²	93.1	63%	0.629	50%	0.496	S	S	*	.			trans	-156.9	120.3	163.1	-171.1	0	0	0	0	111.5	R30	R30-S32 PolarHBondContact O-N 2.74Å
33	A	31.4	Very low	37.5	Very low	56 Å²	56	94.4 Å²	94.4	46%	0.463	50%	0.502	S	S	.	.			trans	-92.6	-7.2	-156.8	0	0	0	0	0	116.9
34	T	32.2	Very low	37.8	Very low	89 Å²	89	93 Å²	93	55%	0.546	50%	0.498	S	S	.	.	S	Bend	trans	-112.7	7.5	-150.5	49.6	0	0	0	0	117.8
35	A	37.3	Very low	37.9	Very low	83 Å²	83	95.2 Å²	95.2	69%	0.686	50%	0.502	S	S	*	.	S	Bend	trans	-125.1	-48.4	-171	0	0	0	0	0	118.4
36	P	36.2	Very low	38	Very low	54 Å²	54	88.7 Å²	88.7	35%	0.351	48%	0.483	S	S	.	.	S	Bend	trans	-83.1	-19	-160	-20.7	37	0	0	0	117.2	Y27 W38 A39	Y27-P36 HydrophobicContact CD2-CG 4.16Å; Y27-P36 HydrophobicContact CE2-CB 4.23Å; Y27-P36 HydrophobicContact CE2-CG 3.81Å; P36-W38 VanDerWaalsContact C-N 3.26Å; P36-W38 PolarHBondContact O-N 2.9Å; P36-W38 VanDerWaalsContact O-N 3.11Å; P36-A39 PolarHBondContact O-N 2.8Å
37	I	37.3	Very low	38.3	Very low	63 Å²	63	92 Å²	92	32%	0.323	49%	0.489	S	S	.	.	H	α-helix	trans	-56.5	-36.6	-165.5	-62.9	172.3	0	0	0	112.9	A39 Y41	I37-A39 PolarHBondContact O-N 3.14Å; I37-Y41 PolarHBondContact O-N 2.98Å
38	W	37.9	Very low	38.6	Very low	155 Å²	155	94.7 Å²	94.7	59%	0.587	51%	0.505	S	S	*	.	H	α-helix	trans	-69.4	-30.5	-179.5	-76.2	60.3	0	0	0	113.7	P36 Y41 E42 L745	P36-W38 VanDerWaalsContact C-N 3.26Å; P36-W38 PolarHBondContact O-N 2.9Å; P36-W38 VanDerWaalsContact O-N 3.11Å; W38-Y41 PolarHBondContact O-N 3.14Å; W38-E42 PolarHBondContact O-N 3.22Å; W38-L745 HydrophobicContact CH2-CD1 3.34Å; W38-L745 HydrophobicContact CH2-CD2 4.09Å; W38-L745 HydrophobicContact CH2-CG 3.59Å; W38-L745 HydrophobicContact CZ2-CD1 3.84Å; W38-L745 HydrophobicContact CZ2-CG 4.09Å; W38-L745 HydrophobicContact CZ3-CD1 3.8Å; W38-L745 HydrophobicContact CZ3-CG 4.43Å
39	A	35.8	Very low	38.8	Very low	46 Å²	46	98.4 Å²	98.4	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-69.7	-39.2	-178.3	0	0	0	0	0	111.6	P36 I37 Y41 I43	P36-A39 PolarHBondContact O-N 2.8Å; I37-A39 PolarHBondContact O-N 3.14Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-I43 WeakPolarHBondContact O-CD1 3.5Å; A39-I43 VanDerWaalsContact O-CG1 3.29Å; A39-I43 WeakPolarHBondContact O-CG1 3.17Å; A39-I43 PolarHBondContact O-N 3.19Å
40	V	40.8	Very low	38.8	Very low	87 Å²	87	101.4 Å²	101.4	53%	0.527	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.6	-176.7	0	0	0	0	110.6	I43 V44	V40-I43 PolarHBondContact O-N 2.83Å; V40-V44 WeakPolarHBondContact O-CG2 3.29Å; V40-V44 PolarHBondContact O-N 3.43Å; V40-V44 VanDerWaalsContact O-N 3.09Å
41	Y	41.5	Very low	39	Very low	142 Å²	142	98.7 Å²	98.7	56%	0.557	55%	0.545	S	S	*	.	H	α-helix	trans	-64.2	-45.2	-177.8	-149.4	-86.7	0	0	0	112.8	I37 W38 A39 I43 V44 Y45	I37-Y41 PolarHBondContact O-N 2.98Å; W38-Y41 PolarHBondContact O-N 3.14Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-I43 PolarHBondContact O-N 3.08Å; Y41-V44 PolarHBondContact O-N 3.32Å; Y41-Y45 VanDerWaalsContact O-CB 3.23Å; Y41-Y45 WeakPolarHBondContact O-CB 2.88Å; Y41-Y45 PolarHBondContact O-N 3.33Å
42	E	38.9	Very low	39.4	Very low	118 Å²	118	99.3 Å²	99.3	55%	0.551	54%	0.538	S	S	*	.	H	α-helix	trans	-60.4	-41.4	174.2	-81.9	-82.1	145.8	0	0	112.2	W38 A46	W38-E42 PolarHBondContact O-N 3.22Å; E42-A46 VanDerWaalsContact O-CB 3.23Å; E42-A46 WeakPolarHBondContact O-CB 3.35Å; E42-A46 PolarHBondContact O-N 3.1Å
43	I	43.4	Very low	39.1	Very low	105 Å²	105	101.8 Å²	101.8	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-43.1	-179.6	-69.2	166.6	0	0	0	111.4	A39 V40 Y41	A39-I43 WeakPolarHBondContact O-CD1 3.5Å; A39-I43 VanDerWaalsContact O-CG1 3.29Å; A39-I43 WeakPolarHBondContact O-CG1 3.17Å; A39-I43 PolarHBondContact O-N 3.19Å; V40-I43 PolarHBondContact O-N 2.83Å; Y41-I43 PolarHBondContact O-N 3.08Å
44	V	45.5	Very low	39.2	Very low	83 Å²	83	107.2 Å²	107.2	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-70.7	-45.7	177.9	175.5	0	0	0	0	111	V40 Y41 A46 R47 Q48	V40-V44 WeakPolarHBondContact O-CG2 3.29Å; V40-V44 PolarHBondContact O-N 3.43Å; V40-V44 VanDerWaalsContact O-N 3.09Å; Y41-V44 PolarHBondContact O-N 3.32Å; V44-A46 PolarHBondContact O-N 2.95Å; V44-R47 PolarHBondContact O-N 3.07Å; V44-Q48 PolarHBondContact O-N 3.2Å
45	Y	44.6	Very low	39	Very low	126 Å²	126	106.5 Å²	106.5	49%	0.494	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-40.8	-177.4	-172.3	-99	0	0	0	112.7	Y41 R47 Q48 Q49	Y41-Y45 VanDerWaalsContact O-CB 3.23Å; Y41-Y45 WeakPolarHBondContact O-CB 2.88Å; Y41-Y45 PolarHBondContact O-N 3.33Å; Y45-R47 PolarHBondContact O-N 3.08Å; Y45-Q48 PolarHBondContact O-N 3.45Å; Y45-Q49 HydrophobicContact CE1-CG 4.4Å
46	A	43.1	Very low	38.5	Very low	26 Å²	26	107.8 Å²	107.8	22%	0.215	55%	0.548	C	S	.	.	H	α-helix	trans	-61	-34.3	175.1	0	0	0	0	0	112.4	E42 V44 Q49 I55	E42-A46 VanDerWaalsContact O-CB 3.23Å; E42-A46 WeakPolarHBondContact O-CB 3.35Å; E42-A46 PolarHBondContact O-N 3.1Å; V44-A46 PolarHBondContact O-N 2.95Å; A46-Q49 PolarHBondContact O-N 2.92Å; A46-I55 HydrophobicContact CB-CD1 3.81Å
47	R	41.8	Very low	38.2	Very low	147 Å²	147	113.2 Å²	113.2	56%	0.555	57%	0.566	S	S	*	*	H	α-helix	trans	-75.3	-25.9	-178.3	-159.9	170.4	-174.5	166.4	1	113.4	V44 Y45	V44-R47 PolarHBondContact O-N 3.07Å; Y45-R47 PolarHBondContact O-N 3.08Å
48	Q	46.9	Very low	37.7	Very low	145 Å²	145	120.1 Å²	120.1	68%	0.678	59%	0.588	S	S	*	*	H	α-helix	trans	-74.8	-20.7	173.5	-73.4	-176	-25.3	0	0	113.9	V44 Y45	V44-Q48 PolarHBondContact O-N 3.2Å; Y45-Q48 PolarHBondContact O-N 3.45Å
49	Q	42.1	Very low	37.2	Very low	119 Å²	119	119.5 Å²	119.5	56%	0.556	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	4.6	-173.7	-71.8	-76.8	-35.1	0	0	114.3	Y45 A46 A51	Y45-Q49 HydrophobicContact CE1-CG 4.4Å; A46-Q49 PolarHBondContact O-N 2.92Å; Q49-A51 PolarHBondContact O-N 3.45Å
50	S	38.2	Very low	36.8	Very low	123 Å²	123	121.3 Å²	121.3	86%	0.86	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.1	26.1	-178.2	-61.2	0	0	0	0	115
51	A	37.3	Very low	36.2	Very low	62 Å²	62	120.7 Å²	120.7	51%	0.512	59%	0.593	S	S	.	*			trans	-100.6	140	-177.6	0	0	0	0	0	111.5	Q49	Q49-A51 PolarHBondContact O-N 3.45Å
52	E	38.7	Very low	35.6	Very low	167 Å²	167	119.7 Å²	119.7	78%	0.78	60%	0.602	S	S	*	*			trans	-58.1	138.1	176.4	-61.5	-179.4	129	0	0	112	K54	E52-K54 PolarHBondContact O-N 2.94Å
53	L	30.3	Very low	35.1	Very low	142 Å²	142	120.1 Å²	120.1	74%	0.743	61%	0.612	S	S	*	*			trans	-67.8	88.4	-175.9	-79	80.7	0	0	0	112.5	I55	L53-I55 HydrophobicContact CB-CD1 4.49Å; L53-I55 HydrophobicContact CB-CG1 4.26Å; L53-I55 HydrophobicContact CD2-CD1 4.17Å; L53-I55 HydrophobicContact CG-CD1 4.08Å; L53-I55 HydrophobicContact CG-CG1 4.4Å; L53-I55 PolarHBondContact O-N 3.25Å; L53-I55 VanDerWaalsContact O-N 3.14Å
54	K	33.1	Very low	34.5	Very low	169 Å²	169	119.2 Å²	119.2	74%	0.735	61%	0.614	S	S	*	*			trans	-81.2	30.1	165.8	-68.8	-177	177.3	172.7	0	112.8	E52 V56	E52-K54 PolarHBondContact O-N 2.94Å; K54-V56 VanDerWaalsContact C-N 3.28Å; K54-V56 PolarHBondContact O-N 3.45Å
55	I	27.8	Very low	33.6	Very low	74 Å²	74	122 Å²	122	38%	0.379	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	62.5	-171.4	-45.9	-178.2	0	0	0	110.6	A46 L53	A46-I55 HydrophobicContact CB-CD1 3.81Å; L53-I55 HydrophobicContact CB-CD1 4.49Å; L53-I55 HydrophobicContact CB-CG1 4.26Å; L53-I55 HydrophobicContact CD2-CD1 4.17Å; L53-I55 HydrophobicContact CG-CD1 4.08Å; L53-I55 HydrophobicContact CG-CG1 4.4Å; L53-I55 PolarHBondContact O-N 3.25Å; L53-I55 VanDerWaalsContact O-N 3.14Å
56	V	27.8	Very low	32.7	Very low	111 Å²	111	125.1 Å²	125.1	67%	0.673	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	-43.5	164.7	-178.2	0	0	0	0	110.3	K54	K54-V56 VanDerWaalsContact C-N 3.28Å; K54-V56 PolarHBondContact O-N 3.45Å
57	F	28.8	Very low	32.1	Very low	167 Å²	167	133.6 Å²	133.6	73%	0.732	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-8.4	-167.6	-85.5	-84	0	0	0	116.8
58	R	27.6	Very low	31.4	Very low	208 Å²	208	132.8 Å²	132.8	79%	0.785	68%	0.679	S	S	*	*	H	α-helix	trans	-80.4	-34.2	177.2	-93.7	-172.1	174.7	178.7	0.2	114.6	V60 D61 T62	R58-V60 PolarHBondContact O-N 3.4Å; R58-D61 PolarHBondContact O-N 2.82Å; R58-T62 PolarHBondContact O-N 3.04Å; R58-T62 PolarHBondContact O-OG1 3.17Å
59	M	27.8	Very low	30.4	Very low	143 Å²	143	133.3 Å²	133.3	70%	0.704	69%	0.685	S	S	*	*	H	α-helix	trans	-62.4	-24.4	176.8	-79.1	180	149.6	0	0	113.2	V63	M59-V63 WeakPolarHBondContact O-CG2 3.26Å
60	V	27.6	Very low	29.7	Very low	83 Å²	83	134.4 Å²	134.4	50%	0.503	70%	0.695	S	S	.	*	H	α-helix	trans	-85	-40.3	176.3	-177.1	0	0	0	0	111.7	R58 T62 V63 C64	R58-V60 PolarHBondContact O-N 3.4Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.68Å; V60-V63 PolarHBondContact O-N 3.42Å; V60-C64 PolarHBondContact O-N 2.8Å; V60-C64 VanDerWaalsContact O-N 3.08Å
61	D	28	Very low	29.1	Very low	75 Å²	75	137.4 Å²	137.4	40%	0.401	70%	0.696	S	S	.	*	H	α-helix	trans	-66.4	-29.3	-173.3	-167.7	45.4	0	0	0	113.6	R58 K65	R58-D61 PolarHBondContact O-N 2.82Å; D61-K65 PolarHBondContact O-N 3.04Å; D61-K65 VanDerWaalsContact OD1-CE 3.3Å; D61-K65 WeakPolarHBondContact OD1-CE 3.34Å; D61-K65 IonicContact OD1-NZ 3.25Å; D61-K65 PolarHBondContact OD1-NZ 2.84Å; D61-K65 IonicContact OD2-NZ 3.28Å; D61-K65 PolarHBondContact OD2-NZ 3.24Å
62	T	29.4	Very low	28.6	Very low	120 Å²	120	141.6 Å²	141.6	74%	0.736	71%	0.714	S	S	*	*	H	α-helix	trans	-73.8	-30.5	173.1	-47.3	0	0	0	0	112.7	R58 V60	R58-T62 PolarHBondContact O-N 3.04Å; R58-T62 PolarHBondContact O-OG1 3.17Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.68Å
63	V	28.3	Very low	27.9	Very low	127 Å²	127	145 Å²	145	77%	0.77	72%	0.72	S	S	*	*	H	α-helix	trans	-77.3	-31.6	178.1	178.1	0	0	0	0	111.4	M59 V60	M59-V63 WeakPolarHBondContact O-CG2 3.26Å; V60-V63 PolarHBondContact O-N 3.42Å
64	C	29.4	Very low	27.7	Very low	87 Å²	87	144.3 Å²	144.3	59%	0.588	73%	0.726	S	S	*	*	H	α-helix	trans	-82.8	-19.5	-178.3	-68.2	0	0	0	0	115	V60 K66	V60-C64 PolarHBondContact O-N 2.8Å; V60-C64 VanDerWaalsContact O-N 3.08Å; C64-K66 PolarHBondContact O-N 2.79Å
65	K	26.7	Very low	27.3	Very low	142 Å²	142	141.4 Å²	141.4	62%	0.617	72%	0.724	S	S	*	*			trans	-85.6	71.6	-172.9	-85.4	167.7	171.9	148.5	0	114.1	D61 K67	D61-K65 PolarHBondContact O-N 3.04Å; D61-K65 VanDerWaalsContact OD1-CE 3.3Å; D61-K65 WeakPolarHBondContact OD1-CE 3.34Å; D61-K65 IonicContact OD1-NZ 3.25Å; D61-K65 PolarHBondContact OD1-NZ 2.84Å; D61-K65 IonicContact OD2-NZ 3.28Å; D61-K65 PolarHBondContact OD2-NZ 3.24Å; K65-K67 PolarHBondContact O-N 2.95Å
66	K	27	Very low	27.8	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.826	74%	0.744	S	S	*	*			trans	-45.5	132.7	163	-63.2	177.9	179.3	179.3	0	111.3	C64	C64-K66 PolarHBondContact O-N 2.79Å
67	K	28.6	Very low	27.8	Very low	204 Å²	204	143.8 Å²	143.8	89%	0.887	75%	0.747	S	S	*	*			trans	-132.1	101.7	144.8	-82.4	-156.4	172	-174.2	0	111.4	K65	K65-K67 PolarHBondContact O-N 2.95Å
68	V	27.8	Very low	27.7	Very low	130 Å²	130	146.4 Å²	146.4	79%	0.788	75%	0.752	S	S	*	*			trans	-58.8	132.8	162.1	176.2	0	0	0	0	108.6
69	L	25.7	Very low	27.6	Very low	156 Å²	156	145 Å²	145	82%	0.817	75%	0.754	S	S	*	*			trans	-104.5	103.2	164.9	-93.1	167.3	0	0	0	108.7
70	N	27	Very low	27.5	Very low	142 Å²	142	144 Å²	144	76%	0.759	76%	0.759	S	S	*	*			trans	175.5	148.6	131.3	-90	-31.5	0	0	0	111.9
71	Q	26.2	Very low	27.5	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.874	78%	0.778	S	S	*	*			trans	59.8	102.4	167.7	-59.8	179.4	15.2	0	0	118.4
72	V	26.9	Very low	27.2	Very low	149 Å²	149	159.7 Å²	159.7	90%	0.903	80%	0.803	S	S	*	*				176.3	145.4	121.8	150.9	0	0	0	0	108.2
73	R	23.8	Very low	27	Very low	238 Å²	238	160.4 Å²	160.4	90%	0.898	81%	0.807	S	S	*	*			trans	-102.8	139.5	178.3	-63.6	176.8	177.5	174	-1.6	110.9
74	C	25.7	Very low	26.7	Very low	129 Å²	129	162.5 Å²	162.5	87%	0.872	81%	0.808	S	S	*	*			trans	-172.4	164.5	136	-107.1	0	0	0	0	111.6
75	P	26.5	Very low	26.4	Very low	108 Å²	108	164 Å²	164	70%	0.701	82%	0.818	S	S	*	*			trans	-94.5	163.4	-155.9	36.1	-36.9	0	0	0	116.2
76	P	36.5	Very low	26.1	Very low	123 Å²	123	166 Å²	166	80%	0.799	83%	0.827	S	S	*	*			trans	-75.5	156.1	173.2	35.3	-38	0	0	0	111.8
77	P	28.9	Very low	25.9	Very low	111 Å²	111	164.6 Å²	164.6	72%	0.721	83%	0.827	S	S	*	*				-155.8	172.8	92.1	42	-23.8	0	0	0	118
78	R	25.8	Very low	25.7	Very low	223 Å²	223	165.1 Å²	165.1	84%	0.842	83%	0.825	S	S	*	*			trans	70.4	116.3	147.3	-76	161.6	-165.7	-170.6	2.6	122.3
79	E	26.5	Very low	25.4	Very low	179 Å²	179	165.1 Å²	165.1	84%	0.836	83%	0.825	S	S	*	*			trans	81.1	139.9	141.8	-71.3	177.6	-144.8	0	0	121.7
80	P	25.5	Very low	25.4	Very low	122 Å²	122	162.4 Å²	162.4	79%	0.792	83%	0.825	S	S	*	*			trans	-96.5	142.2	-175.7	37.5	-33.1	0	0	0	113
81	R	26.6	Very low	25.2	Very low	241 Å²	241	164 Å²	164	91%	0.909	83%	0.827	S	S	*	*			trans	-122.2	127.2	163.3	-72.1	-170.7	173.9	-165.2	-2.1	111.1
82	R	23.2	Very low	25.1	Very low	246 Å²	246	167 Å²	167	93%	0.928	83%	0.831	S	S	*	*			trans	-67.6	137.4	170.6	-69.1	174.1	171.1	170.1	-4.3	109.2
83	V	24.4	Very low	25.1	Very low	134 Å²	134	166.2 Å²	166.2	81%	0.812	83%	0.826	S	S	*	*			trans	-115.3	122.5	159.7	179.5	0	0	0	0	107.3
84	Q	21.7	Very low	25.2	Very low	171 Å²	171	159.4 Å²	159.4	80%	0.799	82%	0.815	S	S	*	*			trans	-89.3	131.6	171.8	-70.6	178.2	-33.7	0	0	109.3
85	C	23.1	Very low	25.2	Very low	118 Å²	118	158.8 Å²	158.8	80%	0.797	82%	0.819	S	S	*	*			trans	-118.8	116	158.3	-69	0	0	0	0	108.2
86	K	21.1	Very low	25.1	Very low	184 Å²	184	162.7 Å²	162.7	80%	0.8	83%	0.825	S	S	*	*			trans	-81.2	126.7	170	-65.4	176.4	177.4	179.1	0	108.6
87	I	23.3	Very low	24.8	Very low	162 Å²	162	163 Å²	163	83%	0.831	82%	0.82	S	S	*	*			trans	-131.5	145.7	153.3	-60.5	-176	0	0	0	106.3
88	Y	23	Very low	24.7	Very low	214 Å²	214	166.7 Å²	166.7	84%	0.839	83%	0.83	S	S	*	*			trans	-76.4	144.4	-157.3	-69.1	-99.9	0	0	0	113.9
89	V	22.5	Very low	24.6	Very low	131 Å²	131	163.7 Å²	163.7	79%	0.794	83%	0.83	S	S	*	*			trans	-80.8	132.8	157.6	178.7	0	0	0	0	107.4	E91	V89-E91 HydrophobicContact CG1-CG 4.44Å
90	A	24.4	Very low	24.5	Very low	98 Å²	98	160.3 Å²	160.3	81%	0.81	83%	0.825	S	S	*	*			trans	-113.7	123.8	166.8	0	0	0	0	0	107.9
91	E	24.2	Very low	24.5	Very low	175 Å²	175	164.4 Å²	164.4	82%	0.818	83%	0.83	S	S	*	*			trans	-83.1	173.5	-172.5	-63.5	-176	113	0	0	113	V89	V89-E91 HydrophobicContact CG1-CG 4.44Å
92	R	24.5	Very low	24.5	Very low	250 Å²	250	156.8 Å²	156.8	94%	0.943	82%	0.819	S	S	*	*			trans	-39.6	132.8	178.9	-65.4	166.7	166.3	170.6	-6.5	114.1
93	V	26	Very low	24.7	Very low	134 Å²	134	153.3 Å²	153.3	81%	0.812	82%	0.818	S	S	*	*			trans	-126.1	136	157.2	-176.5	0	0	0	0	108.8
94	S	25.5	Very low	24.8	Very low	95 Å²	95	153.4 Å²	153.4	66%	0.664	81%	0.814	S	S	*	*			trans	-93.7	155.6	-175.7	55.3	0	0	0	0	112.9	K96	S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 3.41Å
95	A	25.5	Very low	24.9	Very low	116 Å²	116	151.1 Å²	151.1	96%	0.959	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	58.8	-170.3	0	0	0	0	0	114.6
96	K	26.1	Very low	25.1	Very low	189 Å²	189	150.6 Å²	150.6	82%	0.822	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.9	-9.3	176.6	-146.1	171.4	-177	177.7	0	117.1	S94	S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 3.41Å
97	N	28.2	Very low	25.4	Very low	131 Å²	131	151.6 Å²	151.6	70%	0.701	81%	0.811	S	S	*	*			trans	-122.4	101	-174.1	-74.1	-17	0	0	0	113.3
98	M	27.3	Very low	25.5	Very low	188 Å²	188	148.5 Å²	148.5	93%	0.926	81%	0.81	S	S	*	*				165.7	132.8	115.2	-86	-177.7	-163.9	0	0	110.6
99	L	24.6	Very low	25.6	Very low	159 Å²	159	147.8 Å²	147.8	83%	0.832	81%	0.811	S	S	*	*			trans	-122.6	161.1	-176.2	-109.4	95.4	0	0	0	112.3
100	C	25	Very low	25.7	Very low	109 Å²	109	152.3 Å²	152.3	74%	0.736	81%	0.814	S	S	*	*			trans	82.7	147.6	148.2	-76.7	0	0	0	0	122
101	K	25.1	Very low	25.8	Very low	207 Å²	207	155.6 Å²	155.6	90%	0.9	81%	0.812	S	S	*	*			trans	83.2	129.5	170.6	-59.4	-178.5	-177.6	179.2	0	114.7
102	A	26.8	Very low	25.8	Very low	82 Å²	82	152.6 Å²	152.6	68%	0.678	80%	0.801	S	S	*	*			cis	-151.8	149.8	8	0	0	0	0	0	114
103	L	25.8	Very low	25.9	Very low	172 Å²	172	147.6 Å²	147.6	90%	0.901	80%	0.798	S	S	*	*			trans	60.8	133.8	156.4	-56.8	160.2	0	0	0	117.1
104	D	26.6	Very low	25.8	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	79%	0.785	S	S	*	*			cis	-148.7	130.6	14.8	173.1	12.9	0	0	0	109.5
105	P	25.2	Very low	25.8	Very low	122 Å²	122	149 Å²	149	79%	0.792	79%	0.789	S	S	*	*			trans	-98.4	28.9	-162.4	39.4	-38.8	0	0	0	117.4
106	V	27	Very low	25.8	Very low	108 Å²	108	152.1 Å²	152.1	66%	0.655	78%	0.777	S	S	*	*			trans	-134.7	76	-176.8	-164.1	0	0	0	0	115.5
107	K	27	Very low	25.8	Very low	204 Å²	204	146.8 Å²	146.8	89%	0.887	76%	0.76	S	S	*	*			trans	173.8	158.7	141.7	-95.6	147.5	-165.1	167	0	114.7
108	A	26.3	Very low	25.7	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	75%	0.746	S	S	*	*			trans	63.5	96.6	152	0	0	0	0	0	121.4
109	K	24.3	Very low	25.7	Very low	198 Å²	198	146 Å²	146	86%	0.861	74%	0.738	S	S	*	*			trans	-9.5	140.5	145.5	-64.1	173.2	175.1	177.9	0	119.5
110	R	23.9	Very low	25.9	Very low	226 Å²	226	146.3 Å²	146.3	85%	0.853	74%	0.736	S	S	*	*			trans	63.7	105.4	148.6	-68.9	179.3	172.8	-179.6	-4.5	119.6
111	H	26.3	Very low	25.9	Very low	168 Å²	168	146.1 Å²	146.1	78%	0.778	73%	0.731	S	S	*	*			trans	-163.8	126.8	133.6	-90.9	-67.5	0	0	0	106.5
112	I	25.7	Very low	26	Very low	111 Å²	111	144.7 Å²	144.7	57%	0.569	73%	0.732	S	S	*	*				72.4	108.3	58.1	-58.6	171.5	0	0	0	112.7	Y114	I112-Y114 HydrophobicContact CG2-CD2 3.98Å; I112-Y114 HydrophobicContact CG2-CE1 4.28Å; I112-Y114 HydrophobicContact CG2-CE2 3.55Å
113	T	25.1	Very low	25.8	Very low	145 Å²	145	151.4 Å²	151.4	89%	0.89	74%	0.74	S	S	*	*			trans	-127.1	127.1	168.7	-40.4	0	0	0	0	108.4
114	Y	24.8	Very low	25.7	Very low	138 Å²	138	154.3 Å²	154.3	54%	0.541	74%	0.739	S	S	.	*			trans	-93.5	141	-164.9	-69.1	-96.9	0	0	0	114.5	I112 Y116	I112-Y114 HydrophobicContact CG2-CD2 3.98Å; I112-Y114 HydrophobicContact CG2-CE1 4.28Å; I112-Y114 HydrophobicContact CG2-CE2 3.55Å; Y114-Y116 AromaticContact CD1-CE2 3.94Å; Y114-Y116 HydrophobicContact CD1-CE2 3.94Å; Y114-Y116 HydrophobicContact CG-CE2 4.25Å
115	T	24.8	Very low	25.5	Very low	121 Å²	121	158.1 Å²	158.1	74%	0.742	74%	0.743	S	S	*	*			trans	-133.1	120.2	156.6	44.4	0	0	0	0	111.2	R867	T115-R867 PolarHBondContact O-NH1 2.85Å; T115-R867 PolarHBondContact O-NH2 2.86Å; T115-R867 VanDerWaalsContact O-NH2 3.12Å
116	Y	25.1	Very low	25.3	Very low	182 Å²	182	162.5 Å²	162.5	71%	0.714	74%	0.744	S	S	*	*			trans	-93.9	126.2	-171.4	-85.8	-106.1	0	0	0	113.1	Y114	Y114-Y116 AromaticContact CD1-CE2 3.94Å; Y114-Y116 HydrophobicContact CD1-CE2 3.94Å; Y114-Y116 HydrophobicContact CG-CE2 4.25Å
117	T	28.1	Very low	25.2	Very low	77 Å²	77	166.4 Å²	166.4	47%	0.472	75%	0.747	S	S	.	*			trans	-133.8	153.4	147.4	50.7	0	0	0	0	107.6	R867	T117-R867 PolarHBondContact OG1-NH2 3.13Å
118	R	25.7	Very low	25.1	Very low	104 Å²	104	164.5 Å²	164.5	39%	0.392	74%	0.735	S	S	.	*			trans	-138.9	92.9	-148.7	-177.9	-163.2	174	159.4	-3.1	115.2	L164	R118-L164 PolarHBondContact NH1-O 2.83Å; R118-L164 PolarHBondContact NH2-O 3.19Å
119	Y	25.8	Very low	25	Very low	197 Å²	197	166.3 Å²	166.3	77%	0.773	74%	0.736	S	S	*	*			trans	-135.5	144.9	131.9	-83.9	-99.4	0	0	0	103.6
120	E	29	Very low	25	Very low	167 Å²	167	162.9 Å²	162.9	78%	0.78	72%	0.723	S	S	*	*			cis	-137	176.7	23	-48	-173.4	129.6	0	0	112.9
121	T	25.9	Very low	25.3	Very low	104 Å²	104	158.8 Å²	158.8	64%	0.638	72%	0.724	S	S	*	*			trans	169.5	100.9	139.3	18.9	0	0	0	0	111.2	R168	T121-R168 PolarHBondContact OG1-NH2 3.27Å
122	I	26.4	Very low	25.2	Very low	177 Å²	177	160.7 Å²	160.7	91%	0.908	73%	0.73	S	S	*	*			trans	-155.2	85.7	132.8	-52.5	-171.1	0	0	0	108.9
123	R	23.7	Very low	25.2	Very low	224 Å²	224	162.9 Å²	162.9	85%	0.845	74%	0.743	S	S	*	*	S	Bend	trans	-153.4	141.2	150.1	-127.7	175.2	-173.6	-175.1	1.4	107.6
124	W	22.3	Very low	25.3	Very low	232 Å²	232	162.8 Å²	162.8	88%	0.879	74%	0.742	S	S	*	*			trans	53.3	104.1	179.5	-59.5	83.6	0	0	0	117.4
125	W	23.4	Very low	25.4	Very low	217 Å²	217	160.6 Å²	160.6	82%	0.822	75%	0.752	S	S	*	*				-159.8	151.4	103.1	-120.4	66.3	0	0	0	112.1	R127	W125-R127 HydrophobicContact CZ3-CB 4.26Å
126	W	21.5	Very low	25.3	Very low	214 Å²	214	159.7 Å²	159.7	81%	0.811	75%	0.751	S	S	*	*			trans	-129.3	139.8	176.8	-171.8	75.6	0	0	0	106.3
127	R	23.4	Very low	25.4	Very low	191 Å²	191	162 Å²	162	72%	0.721	76%	0.758	S	S	*	*			trans	75	158.7	-154	-49	163.8	176.5	172.7	-3.2	111.1	W125	W125-R127 HydrophobicContact CZ3-CB 4.26Å
128	Y	25.6	Very low	25.5	Very low	164 Å²	164	167.3 Å²	167.3	64%	0.643	78%	0.778	S	S	*	*			cis	-137.5	133.1	10.7	-170.4	-118.9	0	0	0	111.4	E130	Y128-E130 HydrophobicContact CD1-CB 3.91Å; Y128-E130 HydrophobicContact CE1-CB 3.49Å; Y128-E130 VanDerWaalsContact CE1-CB 3.49Å; Y128-E130 HydrophobicContact CE1-CG 4.25Å; Y128-E130 WeakPolarHBondContact CE1-OE2 3.45Å; Y128-E130 PolarHBondContact O-N 2.99Å; Y128-E130 VanDerWaalsContact OH-CD 3.26Å; Y128-E130 PolarHBondContact OH-OE2 3.11Å
129	T	24	Very low	25.5	Very low	136 Å²	136	167.8 Å²	167.8	83%	0.834	80%	0.797	S	S	*	*			trans	-93	89.4	178.1	42.5	0	0	0	0	111.2
130	E	25.4	Very low	25.6	Very low	125 Å²	125	163.7 Å²	163.7	58%	0.584	80%	0.797	S	S	*	*			trans	-162.2	170.6	170.3	-123.2	161.2	-140.1	0	0	112.9	Y128 K132	Y128-E130 HydrophobicContact CD1-CB 3.91Å; Y128-E130 HydrophobicContact CE1-CB 3.49Å; Y128-E130 VanDerWaalsContact CE1-CB 3.49Å; Y128-E130 HydrophobicContact CE1-CG 4.25Å; Y128-E130 WeakPolarHBondContact CE1-OE2 3.45Å; Y128-E130 PolarHBondContact O-N 2.99Å; Y128-E130 VanDerWaalsContact OH-CD 3.26Å; Y128-E130 PolarHBondContact OH-OE2 3.11Å; E130-K132 PolarHBondContact O-N 3.17Å
131	T	28.7	Very low	25.4	Very low	141 Å²	141	162 Å²	162	87%	0.865	80%	0.798	S	S	*	*			trans	67.1	23.8	170.7	68.8	0	0	0	0	119.7
132	K	24.9	Very low	25.5	Very low	208 Å²	208	165.4 Å²	165.4	90%	0.904	81%	0.811	S	S	*	*			trans	-97.1	43.8	162.8	-147.5	176.3	-172.4	177.3	0	114.4	E130	E130-K132 PolarHBondContact O-N 3.17Å
133	N	24.8	Very low	25.5	Very low	157 Å²	157	163 Å²	163	84%	0.84	80%	0.799	S	S	*	*			trans	-127.4	91.7	171.3	-92.1	-22.1	0	0	0	109.8
134	V	27.4	Very low	25.5	Very low	143 Å²	143	157.2 Å²	157.2	87%	0.867	80%	0.8	S	S	*	*	S	Bend	trans	-179.4	157.5	159.8	137	0	0	0	0	107.6
135	A	27	Very low	25.8	Very low	91 Å²	91	150.1 Å²	150.1	75%	0.752	79%	0.785	S	S	*	*			trans	62.9	44	173.1	0	0	0	0	0	116.5
136	S	24.1	Very low	26	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	78%	0.783	S	S	*	*			trans	-80.3	150	135.9	60.9	0	0	0	0	108.8
137	R	26.1	Very low	26.4	Very low	230 Å²	230	145.6 Å²	145.6	87%	0.868	79%	0.786	S	S	*	*			trans	73	136.6	-164.4	-44.4	166.5	-175.8	178.8	0.2	110.9
138	E	30.3	Very low	26.5	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	80%	0.795	S	S	*	*			cis	-130.6	176	19.6	-69.3	179.3	152.4	0	0	113.5
139	S	25.7	Very low	26.5	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	80%	0.799	S	S	*	*			trans	-150	122.6	-175.3	59.1	0	0	0	0	113.1
140	S	27.7	Very low	26.5	Very low	111 Å²	111	139 Å²	139	78%	0.776	80%	0.802	S	S	*	*			trans	-168.2	128.4	154.5	46.5	0	0	0	0	114.3
141	T	26.1	Very low	26.5	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	81%	0.81	S	S	*	*			trans	31.3	109	141.5	59.3	0	0	0	0	121
142	I	27.2	Very low	26.5	Very low	176 Å²	176	141.5 Å²	141.5	90%	0.903	81%	0.812	S	S	*	*			trans	-128.7	147.5	135.3	-65.5	-174.1	0	0	0	107.6
143	D	26.1	Very low	26.5	Very low	125 Å²	125	137.8 Å²	137.8	67%	0.668	80%	0.801	S	S	*	*			trans	-79	152.2	-163.9	-174.5	30.2	0	0	0	114.9	S145	D143-S145 WeakPolarHBondContact OD2-CB 3.48Å; D143-S145 PolarHBondContact OD2-OG 2.96Å
144	A	24.2	Very low	26.7	Very low	103 Å²	103	135 Å²	135	85%	0.851	79%	0.786	S	S	*	*	S	Bend	trans	-101.5	17.9	-174.2	0	0	0	0	0	113.8
145	S	27.7	Very low	26.8	Very low	83 Å²	83	133.8 Å²	133.8	58%	0.58	77%	0.774	S	S	*	*			trans	-86.4	-9.2	-174.9	60.5	0	0	0	0	115.2	D143	D143-S145 WeakPolarHBondContact OD2-CB 3.48Å; D143-S145 PolarHBondContact OD2-OG 2.96Å
146	Q	28.6	Very low	26.9	Very low	165 Å²	165	133.9 Å²	133.9	77%	0.771	77%	0.765	S	S	*	*			trans	-127.1	100.5	-174.5	-62.2	-173.4	11.4	0	0	112.8
147	I	29.2	Very low	27.1	Very low	172 Å²	172	131.2 Å²	131.2	88%	0.882	75%	0.75	S	S	*	*			trans	177.5	110.4	137.7	-91	151.4	0	0	0	107.3
148	H	26.6	Very low	27.2	Very low	193 Å²	193	123.7 Å²	123.7	89%	0.894	73%	0.729	S	S	*	*			trans	-85.1	152.1	170.8	-82.6	-90.8	0	0	0	110.7
149	G	25	Very low	27.1	Very low	72 Å²	72	116.9 Å²	116.9	74%	0.742	71%	0.705	S	S	*	*			trans	122.2	78.5	150.5	0	0	0	0	0	117.8
150	G	24.5	Very low	27.4	Very low	86 Å²	86	118.1 Å²	118.1	89%	0.887	69%	0.693	S	S	*	*			trans	47.5	78.8	138.8	0	0	0	0	0	119.6
151	V	25.5	Very low	27.5	Very low	124 Å²	124	117.7 Å²	117.7	75%	0.752	68%	0.681	S	S	*	*			trans	-118.9	113.2	158.7	179.9	0	0	0	0	109.2	I153	V151-I153 PolarHBondContact O-N 3.26Å; V151-I153 VanDerWaalsContact O-N 3.14Å
152	Q	27.6	Very low	27.7	Very low	196 Å²	196	113.2 Å²	113.2	92%	0.916	66%	0.658	S	S	*	*			trans	-73.9	101	168.2	-80.9	-171.3	-48.6	0	0	109.3	N154	Q152-N154 PolarHBondContact O-N 3.44Å; Q152-N154 VanDerWaalsContact O-N 3.13Å
153	I	26.2	Very low	27.9	Very low	129 Å²	129	107.8 Å²	107.8	66%	0.662	63%	0.632	S	S	*	*			trans	-67.4	111.1	172.8	-61	176.3	0	0	0	108.3	V151 L155 V158	V151-I153 PolarHBondContact O-N 3.26Å; V151-I153 VanDerWaalsContact O-N 3.14Å; I153-L155 PolarHBondContact O-N 3.1Å; I153-L155 VanDerWaalsContact O-N 3.1Å; I153-V158 HydrophobicContact CG2-CG2 3.44Å; I153-V158 VanDerWaalsContact CG2-CG2 3.44Å
154	N	28.9	Very low	28.2	Very low	99 Å²	99	105.2 Å²	105.2	53%	0.529	62%	0.618	S	S	.	*			trans	-68.9	107.2	178	-174	-14.8	0	0	0	109.7	Q152 T156 A157 V158	Q152-N154 PolarHBondContact O-N 3.44Å; Q152-N154 VanDerWaalsContact O-N 3.13Å; N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.13Å; N154-T156 VanDerWaalsContact OD1-CB 3.25Å; N154-T156 WeakPolarHBondContact OD1-CB 3.43Å; N154-T156 PolarHBondContact OD1-N 3.28Å; N154-T156 VanDerWaalsContact OD1-N 3.11Å; N154-T156 PolarHBondContact OD1-OG1 2.85Å; N154-A157 HydrophobicContact CB-CB 4.34Å; N154-A157 WeakPolarHBondContact O-CA 3.48Å; N154-A157 WeakPolarHBondContact O-CB 3.31Å; N154-A157 PolarHBondContact O-N 3.42Å; N154-V158 PolarHBondContact O-N 3.03Å
155	L	28.6	Very low	28.5	Very low	117 Å²	117	106.9 Å²	106.9	61%	0.613	61%	0.606	S	S	*	*	H	α-helix	trans	-54.4	-31.2	179.8	-82.3	160.3	0	0	0	112.8	I153 A157 V158 A159	I153-L155 PolarHBondContact O-N 3.1Å; I153-L155 VanDerWaalsContact O-N 3.1Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.28Å; L155-V158 PolarHBondContact O-N 2.83Å; L155-A159 WeakPolarHBondContact O-CB 3.49Å; L155-A159 PolarHBondContact O-N 3.12Å
156	T	28.4	Very low	28.9	Very low	93 Å²	93	104.9 Å²	104.9	57%	0.571	59%	0.589	S	S	*	*	H	α-helix	trans	-61.8	-37.5	174.3	-44.7	0	0	0	0	111.7	N154 Y160	N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.13Å; N154-T156 VanDerWaalsContact OD1-CB 3.25Å; N154-T156 WeakPolarHBondContact OD1-CB 3.43Å; N154-T156 PolarHBondContact OD1-N 3.28Å; N154-T156 VanDerWaalsContact OD1-N 3.11Å; N154-T156 PolarHBondContact OD1-OG1 2.85Å; T156-Y160 WeakPolarHBondContact O-CB 3.45Å; T156-Y160 PolarHBondContact O-N 2.79Å
157	A	28.3	Very low	29.2	Very low	48 Å²	48	103.4 Å²	103.4	40%	0.397	59%	0.586	S	S	.	*	H	α-helix	trans	-73.9	-34.7	175.8	0	0	0	0	0	112.1	N154 L155 Y160 I161	N154-A157 HydrophobicContact CB-CB 4.34Å; N154-A157 WeakPolarHBondContact O-CA 3.48Å; N154-A157 WeakPolarHBondContact O-CB 3.31Å; N154-A157 PolarHBondContact O-N 3.42Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.28Å; A157-Y160 PolarHBondContact O-N 2.78Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.28Å; A157-I161 WeakPolarHBondContact O-CG1 3.39Å; A157-I161 PolarHBondContact O-N 2.96Å
158	V	28	Very low	29.7	Very low	72 Å²	72	102.1 Å²	102.1	44%	0.436	57%	0.57	S	S	.	*	H	α-helix	trans	-64.6	-43.3	172.5	-178.2	0	0	0	0	110.6	I153 N154 L155 I161 A162	I153-V158 HydrophobicContact CG2-CG2 3.44Å; I153-V158 VanDerWaalsContact CG2-CG2 3.44Å; N154-V158 PolarHBondContact O-N 3.03Å; L155-V158 PolarHBondContact O-N 2.83Å; V158-I161 PolarHBondContact O-N 3.21Å; V158-A162 VanDerWaalsContact O-CB 3.28Å; V158-A162 WeakPolarHBondContact O-CB 3.13Å; V158-A162 PolarHBondContact O-N 3Å
159	A	29.9	Very low	30.2	Very low	45 Å²	45	98 Å²	98	37%	0.372	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-40.6	172.8	0	0	0	0	0	112	L155 A162 V163	L155-A159 WeakPolarHBondContact O-CB 3.49Å; L155-A159 PolarHBondContact O-N 3.12Å; A159-A162 PolarHBondContact O-N 3.44Å; A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.19Å
160	Y	30.3	Very low	30.9	Very low	141 Å²	141	102.3 Å²	102.3	55%	0.553	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-45.3	176	-138.8	-99.7	0	0	0	112	T156 A157 A162 V163 L164	T156-Y160 WeakPolarHBondContact O-CB 3.45Å; T156-Y160 PolarHBondContact O-N 2.79Å; A157-Y160 PolarHBondContact O-N 2.78Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; Y160-V163 PolarHBondContact O-N 3.2Å; Y160-L164 HydrophobicContact CD1-CD1 3.76Å; Y160-L164 HydrophobicContact CD1-CG 4.43Å; Y160-L164 HydrophobicContact CE1-CD1 4.21Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 VanDerWaalsContact O-CG 3.23Å; Y160-L164 WeakPolarHBondContact O-CG 3.45Å; Y160-L164 PolarHBondContact O-N 3.24Å
161	I	30.6	Very low	31.6	Very low	101 Å²	101	101.3 Å²	101.3	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-66.5	-36.7	176.1	-68.6	165.5	0	0	0	110.9	A157 V158 L164 K165	A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.28Å; A157-I161 WeakPolarHBondContact O-CG1 3.39Å; A157-I161 PolarHBondContact O-N 2.96Å; V158-I161 PolarHBondContact O-N 3.21Å; I161-L164 PolarHBondContact O-N 2.84Å; I161-K165 WeakPolarHBondContact O-CG 3.36Å; I161-K165 PolarHBondContact O-N 3.35Å
162	A	30.9	Very low	32.4	Very low	38 Å²	38	97.4 Å²	97.4	31%	0.314	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-52.5	172.9	0	0	0	0	0	110.9	V158 A159 Y160 L164 K165 L166	V158-A162 VanDerWaalsContact O-CB 3.28Å; V158-A162 WeakPolarHBondContact O-CB 3.13Å; V158-A162 PolarHBondContact O-N 3Å; A159-A162 PolarHBondContact O-N 3.44Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; A162-L164 VanDerWaalsContact C-N 3.28Å; A162-L164 PolarHBondContact O-N 3.1Å; A162-K165 CarbonylContact O-C 3.56Å; A162-K165 PolarHBondContact O-N 2.92Å; A162-L166 HydrophobicContact CB-CD1 4.44Å; A162-L166 WeakPolarHBondContact O-CB 3.46Å; A162-L166 WeakPolarHBondContact O-CD1 2.95Å; A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.17Å
163	V	31.8	Very low	33.1	Very low	61 Å²	61	91.4 Å²	91.4	37%	0.37	49%	0.489	S	S	.	.	H	α-helix	trans	-55.6	-42.5	175.4	170	0	0	0	0	111.5	A159 Y160 K165 L166 N167 V195	A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.19Å; Y160-V163 PolarHBondContact O-N 3.2Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 2.9Å; V163-L166 PolarHBondContact O-N 2.66Å; V163-N167 PolarHBondContact O-N 3.19Å; V163-V195 HydrophobicContact CG2-CG1 3.93Å
164	L	31	Very low	34.1	Very low	72 Å²	72	89.4 Å²	89.4	38%	0.377	48%	0.48	S	S	.	.	H	α-helix	trans	-67.2	-27.1	177.4	-72.6	168.9	0	0	0	113.5	R118 Y160 I161 A162	R118-L164 PolarHBondContact NH1-O 2.83Å; R118-L164 PolarHBondContact NH2-O 3.19Å; Y160-L164 HydrophobicContact CD1-CD1 3.76Å; Y160-L164 HydrophobicContact CD1-CG 4.43Å; Y160-L164 HydrophobicContact CE1-CD1 4.21Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 VanDerWaalsContact O-CG 3.23Å; Y160-L164 WeakPolarHBondContact O-CG 3.45Å; Y160-L164 PolarHBondContact O-N 3.24Å; I161-L164 PolarHBondContact O-N 2.84Å; A162-L164 VanDerWaalsContact C-N 3.28Å; A162-L164 PolarHBondContact O-N 3.1Å
165	K	31.6	Very low	34.9	Very low	137 Å²	137	93.3 Å²	93.3	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-84.1	-38.6	171.3	-75.7	-172.7	173	-169.3	0	113.1	I161 A162 V163 N167 R168	I161-K165 WeakPolarHBondContact O-CG 3.36Å; I161-K165 PolarHBondContact O-N 3.35Å; A162-K165 CarbonylContact O-C 3.56Å; A162-K165 PolarHBondContact O-N 2.92Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 2.9Å; K165-N167 VanDerWaalsContact C-N 3.25Å; K165-N167 PolarHBondContact O-N 3.08Å; K165-R168 PolarHBondContact O-N 2.81Å
166	L	35	Very low	35.5	Very low	42 Å²	42	89 Å²	89	22%	0.22	47%	0.465	C	S	.	.	H	α-helix	trans	-56.3	-37.6	-178.5	-78.6	164	0	0	0	112.3	A162 V163 R168 E169 I172 V195	A162-L166 HydrophobicContact CB-CD1 4.44Å; A162-L166 WeakPolarHBondContact O-CB 3.46Å; A162-L166 WeakPolarHBondContact O-CD1 2.95Å; A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.17Å; V163-L166 PolarHBondContact O-N 2.66Å; L166-R168 PolarHBondContact O-N 2.81Å; L166-E169 PolarHBondContact O-N 2.97Å; L166-I172 HydrophobicContact CD2-CB 3.91Å; L166-I172 HydrophobicContact CD2-CD1 3.66Å; L166-I172 HydrophobicContact CD2-CG1 4.37Å; L166-I172 HydrophobicContact CD2-CG2 3.38Å; L166-V195 HydrophobicContact CD1-CG1 3.62Å; L166-V195 HydrophobicContact CD1-CG2 4.34Å
167	N	36.4	Very low	36.3	Very low	134 Å²	134	86.7 Å²	86.7	72%	0.717	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	13.9	173	-81.2	4.6	0	0	0	114.9	V163 K165	V163-N167 PolarHBondContact O-N 3.19Å; K165-N167 VanDerWaalsContact C-N 3.25Å; K165-N167 PolarHBondContact O-N 3.08Å
168	R	37.8	Very low	37.3	Very low	145 Å²	145	91.1 Å²	91.1	55%	0.547	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	1.7	175.6	-78.8	-170.5	162.5	175.8	-7.1	115.5	T121 K165 L166	T121-R168 PolarHBondContact OG1-NH2 3.27Å; K165-R168 PolarHBondContact O-N 2.81Å; L166-R168 PolarHBondContact O-N 2.81Å
169	E	37.6	Very low	38.1	Very low	105 Å²	105	93.8 Å²	93.8	49%	0.491	48%	0.475	S	S	.	.			trans	-120.3	101.8	-178.2	-74.7	-174.1	-158	0	0	113.5	L166 A171 I172 S173	L166-E169 PolarHBondContact O-N 2.97Å; E169-A171 PolarHBondContact O-N 3.22Å; E169-I172 HydrophobicContact CB-CD1 4.13Å; E169-I172 HydrophobicContact CB-CG1 4.26Å; E169-I172 PolarHBondContact O-N 3.37Å; E169-S173 PolarHBondContact O-N 2.98Å
170	Q	39.9	Very low	38.8	Very low	164 Å²	164	94.3 Å²	94.3	77%	0.766	47%	0.469	S	S	*	.	H	α-helix	trans	-55.5	-36.4	-179.7	-165.1	165	-1.5	0	0	112.8	I172 S173 D174	Q170-I172 PolarHBondContact O-N 3Å; Q170-I172 VanDerWaalsContact O-N 3.14Å; Q170-S173 WeakPolarHBondContact O-CA 3.49Å; Q170-S173 VanDerWaalsContact O-CB 3.28Å; Q170-S173 WeakPolarHBondContact O-CB 3.46Å; Q170-S173 PolarHBondContact O-N 3.49Å; Q170-D174 PolarHBondContact O-N 3.07Å
171	A	40.3	Very low	39	Very low	64 Å²	64	89 Å²	89	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-21.7	176.9	0	0	0	0	0	114.6	E169 R175	E169-A171 PolarHBondContact O-N 3.22Å; A171-R175 WeakPolarHBondContact O-CG 3.22Å; A171-R175 PolarHBondContact O-N 3.29Å
172	I	40.3	Very low	39.3	Very low	43 Å²	43	95.5 Å²	95.5	22%	0.221	47%	0.474	C	S	.	.	H	α-helix	trans	-91.7	-29.9	175.6	-49.6	173.3	0	0	0	111	L166 E169 Q170 D174 R175 I176	L166-I172 HydrophobicContact CD2-CB 3.91Å; L166-I172 HydrophobicContact CD2-CD1 3.66Å; L166-I172 HydrophobicContact CD2-CG1 4.37Å; L166-I172 HydrophobicContact CD2-CG2 3.38Å; E169-I172 HydrophobicContact CB-CD1 4.13Å; E169-I172 HydrophobicContact CB-CG1 4.26Å; E169-I172 PolarHBondContact O-N 3.37Å; Q170-I172 PolarHBondContact O-N 3Å; Q170-I172 VanDerWaalsContact O-N 3.14Å; I172-D174 VanDerWaalsContact C-N 3.31Å; I172-D174 PolarHBondContact O-N 3.03Å; I172-R175 PolarHBondContact O-N 2.93Å; I172-I176 HydrophobicContact CG2-CD1 4.23Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 WeakPolarHBondContact O-CG1 3.46Å; I172-I176 PolarHBondContact O-N 2.93Å
173	S	43.5	Very low	39.5	Very low	69 Å²	69	97.5 Å²	97.5	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-56.7	-47.3	165.3	-166.9	0	0	0	0	110.4	E169 Q170 R175 I176 V177	E169-S173 PolarHBondContact O-N 2.98Å; Q170-S173 WeakPolarHBondContact O-CA 3.49Å; Q170-S173 VanDerWaalsContact O-CB 3.28Å; Q170-S173 WeakPolarHBondContact O-CB 3.46Å; Q170-S173 PolarHBondContact O-N 3.49Å; S173-R175 VanDerWaalsContact C-N 3.32Å; S173-R175 PolarHBondContact O-N 3.47Å; S173-I176 PolarHBondContact O-N 2.82Å; S173-V177 WeakPolarHBondContact O-CB 3.49Å; S173-V177 VanDerWaalsContact O-CG2 3.31Å; S173-V177 WeakPolarHBondContact O-CG2 3.23Å; S173-V177 PolarHBondContact O-N 3.4Å
174	D	46	Very low	39.8	Very low	87 Å²	87	100.9 Å²	100.9	47%	0.465	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-38	175.5	-68.2	-36.6	0	0	0	112.5	Q170 I172 N178	Q170-D174 PolarHBondContact O-N 3.07Å; I172-D174 VanDerWaalsContact C-N 3.31Å; I172-D174 PolarHBondContact O-N 3.03Å; D174-N178 VanDerWaalsContact O-CB 3.23Å; D174-N178 WeakPolarHBondContact O-CB 3.35Å; D174-N178 VanDerWaalsContact O-CG 3.24Å; D174-N178 PolarHBondContact O-N 3.15Å; D174-N178 PolarHBondContact O-ND2 2.94Å
175	R	47.3	Very low	40.2	Very low	182 Å²	182	100.7 Å²	100.7	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-66.7	-42.9	174.7	-75.9	177.4	175.9	-164.2	-0.4	112.5	A171 I172 S173 N178 H179	A171-R175 WeakPolarHBondContact O-CG 3.22Å; A171-R175 PolarHBondContact O-N 3.29Å; I172-R175 PolarHBondContact O-N 2.93Å; S173-R175 VanDerWaalsContact C-N 3.32Å; S173-R175 PolarHBondContact O-N 3.47Å; R175-N178 PolarHBondContact O-N 2.95Å; R175-H179 WeakPolarHBondContact O-CB 3.41Å; R175-H179 PolarHBondContact O-N 2.96Å
176	I	40.7	Very low	40.3	Very low	27 Å²	27	101.5 Å²	101.5	14%	0.138	50%	0.495	C	S	.	.	H	α-helix	trans	-65.4	-44.2	177.4	-68.8	168.1	0	0	0	110.3	I172 S173 N178 H179 F180 I185 V195	I172-I176 HydrophobicContact CG2-CD1 4.23Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 WeakPolarHBondContact O-CG1 3.46Å; I172-I176 PolarHBondContact O-N 2.93Å; S173-I176 PolarHBondContact O-N 2.82Å; I176-N178 PolarHBondContact O-N 2.91Å; I176-H179 PolarHBondContact O-N 3.27Å; I176-F180 HydrophobicContact CG2-CD2 4.1Å; I176-F180 PolarHBondContact O-N 3.37Å; I176-I185 HydrophobicContact CG2-CD1 3.96Å; I176-V195 HydrophobicContact CD1-CG2 4.33Å
177	V	46	Very low	40.3	Very low	44 Å²	44	102 Å²	102	27%	0.267	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-40.4	176.4	170.7	0	0	0	0	111.7	S173 G181 R182	S173-V177 WeakPolarHBondContact O-CB 3.49Å; S173-V177 VanDerWaalsContact O-CG2 3.31Å; S173-V177 WeakPolarHBondContact O-CG2 3.23Å; S173-V177 PolarHBondContact O-N 3.4Å; V177-G181 WeakPolarHBondContact O-CA 3.39Å; V177-G181 PolarHBondContact O-N 3.08Å; V177-R182 HydrophobicContact CG1-CG 3.88Å
178	N	49	Very low	40	Very low	140 Å²	140	99.8 Å²	99.8	75%	0.749	50%	0.502	S	S	*	.	H	α-helix	trans	-71.2	-27.1	176	-77.6	-49.4	0	0	0	113.6	D174 R175 I176	D174-N178 VanDerWaalsContact O-CB 3.23Å; D174-N178 WeakPolarHBondContact O-CB 3.35Å; D174-N178 VanDerWaalsContact O-CG 3.24Å; D174-N178 PolarHBondContact O-N 3.15Å; D174-N178 PolarHBondContact O-ND2 2.94Å; R175-N178 PolarHBondContact O-N 2.95Å; I176-N178 PolarHBondContact O-N 2.91Å
179	H	44.6	Very low	39.9	Very low	129 Å²	129	101.2 Å²	101.2	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-89.3	-38.6	-178.3	-153.9	74.7	0	0	0	113.5	R175 I176 Y197	R175-H179 WeakPolarHBondContact O-CB 3.41Å; R175-H179 PolarHBondContact O-N 2.96Å; I176-H179 PolarHBondContact O-N 3.27Å; H179-Y197 AromaticContact NE2-CE1 3.99Å
180	F	43.7	Very low	40.1	Very low	56 Å²	56	98.5 Å²	98.5	25%	0.246	50%	0.496	C	S	.	.	H	α-helix	trans	-101.3	-19.6	-178	-68.1	-83.4	0	0	0	114.1	I176 A194 Y197 V198	I176-F180 HydrophobicContact CG2-CD2 4.1Å; I176-F180 PolarHBondContact O-N 3.37Å; F180-A194 HydrophobicContact CD2-CB 4.11Å; F180-A194 HydrophobicContact CE1-CB 4.39Å; F180-A194 HydrophobicContact CE2-CB 3.74Å; F180-A194 HydrophobicContact CZ-CB 3.89Å; F180-Y197 AromaticContact CZ-CD1 3.74Å; F180-Y197 HydrophobicContact CZ-CD1 3.74Å; F180-Y197 HydrophobicContact CZ-CE1 4.38Å; F180-Y197 HydrophobicContact CZ-CG 4.32Å; F180-V198 HydrophobicContact CE2-CG2 4.44Å
181	G	35.9	Very low	40.2	Very low	28 Å²	28	94 Å²	94	29%	0.289	48%	0.48	S	S	.	.			trans	78.2	152.5	-175.8	0	0	0	0	0	113.5	V177 S183 K184	V177-G181 WeakPolarHBondContact O-CA 3.39Å; V177-G181 PolarHBondContact O-N 3.08Å; G181-S183 PolarHBondContact O-N 3.4Å; G181-K184 PolarHBondContact O-N 2.91Å
182	R	36.1	Very low	40.2	Very low	238 Å²	238	98.2 Å²	98.2	90%	0.898	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-8.1	179.4	-68.7	-174.9	176.7	-178.9	-1.5	114.8	V177	V177-R182 HydrophobicContact CG1-CG 3.88Å
183	S	35.6	Very low	40.4	Very low	81 Å²	81	100.8 Å²	100.8	57%	0.566	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	31.7	-173.5	65.6	0	0	0	0	114	G181 Y186	G181-S183 PolarHBondContact O-N 3.4Å; S183-Y186 VanDerWaalsContact O-CE2 3.27Å; S183-Y186 WeakPolarHBondContact O-CE2 3.49Å; S183-Y186 PolarHBondContact O-OH 3.32Å; S183-Y186 VanDerWaalsContact O-OH 3.12Å
184	K	37.5	Very low	40.6	Very low	132 Å²	132	97.8 Å²	97.8	57%	0.574	47%	0.474	S	S	*	.	S	Bend	trans	-134.7	-6.8	174.5	-75.7	-164.4	174	-173.4	0	115.6	G181 Y186 N190	G181-K184 PolarHBondContact O-N 2.91Å; K184-Y186 PolarHBondContact O-N 3.12Å; K184-N190 PolarHBondContact O-ND2 3.41Å
185	I	39.3	Very low	40.5	Very low	67 Å²	67	94.9 Å²	94.9	34%	0.344	46%	0.459	S	S	.	.			trans	-101.8	81	-175.1	-50.9	178.8	0	0	0	108.7	I176 V191	I176-I185 HydrophobicContact CG2-CD1 3.96Å; I185-V191 HydrophobicContact CG2-CG2 3.49Å; I185-V191 VanDerWaalsContact CG2-CG2 3.49Å
186	Y	33.2	Very low	40.4	Very low	155 Å²	155	88.4 Å²	88.4	61%	0.608	44%	0.44	S	S	*	.			trans	-101.7	-4.2	-173.4	-65.4	-71.3	0	0	0	114.7	S183 K184 N190	S183-Y186 VanDerWaalsContact O-CE2 3.27Å; S183-Y186 WeakPolarHBondContact O-CE2 3.49Å; S183-Y186 PolarHBondContact O-OH 3.32Å; S183-Y186 VanDerWaalsContact O-OH 3.12Å; K184-Y186 PolarHBondContact O-N 3.12Å; Y186-N190 PolarHBondContact N-ND2 2.86Å
187	S	35.7	Very low	40.6	Very low	53 Å²	53	92.5 Å²	92.5	37%	0.371	45%	0.454	S	S	.	.	S	Bend	trans	-159.8	165.7	177.8	79.8	0	0	0	0	111.9	R189 N190 V191	S187-R189 PolarHBondContact O-N 3.21Å; S187-R189 WeakPolarHBondContact OG-CB 3.28Å; S187-R189 PolarHBondContact OG-N 3.47Å; S187-R189 VanDerWaalsContact OG-N 3.15Å; S187-N190 WeakPolarHBondContact O-CB 3.44Å; S187-N190 PolarHBondContact O-N 2.9Å; S187-N190 PolarHBondContact OG-N 2.96Å; S187-N190 PolarHBondContact OG-OD1 3.34Å; S187-V191 PolarHBondContact O-N 3.44Å
188	A	29.8	Very low	40.5	Very low	86 Å²	86	92.3 Å²	92.3	71%	0.711	45%	0.453	S	S	*	.	H	α-helix	trans	-57.8	-27.6	170.7	0	0	0	0	0	112.9	V191 Y192	A188-V191 PolarHBondContact O-N 3.22Å; A188-Y192 PolarHBondContact O-N 2.93Å
189	R	35.6	Very low	40.1	Very low	175 Å²	175	87.8 Å²	87.8	66%	0.66	44%	0.435	S	S	*	.	H	α-helix	trans	-68.1	-41.7	173.5	177.1	-179.4	172.7	178.5	-1.4	111.8	S187 V191 Y192 E193	S187-R189 PolarHBondContact O-N 3.21Å; S187-R189 WeakPolarHBondContact OG-CB 3.28Å; S187-R189 PolarHBondContact OG-N 3.47Å; S187-R189 VanDerWaalsContact OG-N 3.15Å; R189-V191 VanDerWaalsContact C-N 3.26Å; R189-V191 PolarHBondContact O-N 2.89Å; R189-Y192 PolarHBondContact O-N 3.01Å; R189-Y192 VanDerWaalsContact O-N 3.17Å; R189-E193 HydrophobicContact CG-CG 4.39Å; R189-E193 WeakPolarHBondContact CG-OE1 3.22Å; R189-E193 IonicContact CZ-OE1 2.79Å; R189-E193 IonicContact NE-OE1 3.76Å; R189-E193 PolarHBondContact NE-OE1 3.04Å; R189-E193 IonicContact NH2-OE1 3.77Å; R189-E193 PolarHBondContact NH2-OE1 2.9Å; R189-E193 WeakPolarHBondContact O-CB 3.5Å; R189-E193 WeakPolarHBondContact O-CG 3.08Å; R189-E193 PolarHBondContact O-N 2.98Å
190	N	42.5	Very low	39.8	Very low	48 Å²	48	87.4 Å²	87.4	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-35.5	175.2	-58.6	46.9	0	0	0	111.2	K184 Y186 S187 A194	K184-N190 PolarHBondContact O-ND2 3.41Å; Y186-N190 PolarHBondContact N-ND2 2.86Å; S187-N190 WeakPolarHBondContact O-CB 3.44Å; S187-N190 PolarHBondContact O-N 2.9Å; S187-N190 PolarHBondContact OG-N 2.96Å; S187-N190 PolarHBondContact OG-OD1 3.34Å; N190-A194 VanDerWaalsContact O-CB 3.26Å; N190-A194 WeakPolarHBondContact O-CB 3.17Å; N190-A194 PolarHBondContact O-N 3.2Å
191	V	41.1	Very low	39.6	Very low	71 Å²	71	86.6 Å²	86.6	43%	0.43	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-46.1	173.4	179.5	0	0	0	0	110.6	I185 S187 A188 R189 A194 V195	I185-V191 HydrophobicContact CG2-CG2 3.49Å; I185-V191 VanDerWaalsContact CG2-CG2 3.49Å; S187-V191 PolarHBondContact O-N 3.44Å; A188-V191 PolarHBondContact O-N 3.22Å; R189-V191 VanDerWaalsContact C-N 3.26Å; R189-V191 PolarHBondContact O-N 2.89Å; V191-A194 PolarHBondContact O-N 2.93Å; V191-V195 HydrophobicContact CG1-CG2 4.44Å; V191-V195 WeakPolarHBondContact O-CG2 3.49Å; V191-V195 PolarHBondContact O-N 3.43Å
192	Y	41.3	Very low	39.7	Very low	151 Å²	151	90.2 Å²	90.2	59%	0.592	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-47.6	178.8	-162.8	-86.6	0	0	0	112	A188 R189 A194 V195 V196	A188-Y192 PolarHBondContact O-N 2.93Å; R189-Y192 PolarHBondContact O-N 3.01Å; R189-Y192 VanDerWaalsContact O-N 3.17Å; Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 2.96Å; Y192-V195 PolarHBondContact O-N 3.42Å; Y192-V196 HydrophobicContact CD1-CG2 3.99Å; Y192-V196 HydrophobicContact CE1-CG2 3.83Å; Y192-V196 WeakPolarHBondContact O-CG2 3.42Å; Y192-V196 PolarHBondContact O-N 3.29Å
193	E	45.1	Very low	39.6	Very low	97 Å²	97	82.5 Å²	82.5	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-39.3	177.1	-70.8	170	177.1	0	0	111.7	R189 Y197	R189-E193 HydrophobicContact CG-CG 4.39Å; R189-E193 WeakPolarHBondContact CG-OE1 3.22Å; R189-E193 IonicContact CZ-OE1 2.79Å; R189-E193 IonicContact NE-OE1 3.76Å; R189-E193 PolarHBondContact NE-OE1 3.04Å; R189-E193 IonicContact NH2-OE1 3.77Å; R189-E193 PolarHBondContact NH2-OE1 2.9Å; R189-E193 WeakPolarHBondContact O-CB 3.5Å; R189-E193 WeakPolarHBondContact O-CG 3.08Å; R189-E193 PolarHBondContact O-N 2.98Å; E193-Y197 WeakPolarHBondContact O-CB 3.4Å; E193-Y197 PolarHBondContact O-N 3.35Å; E193-Y197 VanDerWaalsContact O-N 3.11Å
194	A	46.3	Very low	39.6	Very low	7 Å²	7	82.8 Å²	82.8	6%	0.058	43%	0.427	C	S	.	.	H	α-helix	trans	-67.5	-39.2	174.3	0	0	0	0	0	113.3	F180 N190 V191 Y192 Y197 V198	F180-A194 HydrophobicContact CD2-CB 4.11Å; F180-A194 HydrophobicContact CE1-CB 4.39Å; F180-A194 HydrophobicContact CE2-CB 3.74Å; F180-A194 HydrophobicContact CZ-CB 3.89Å; N190-A194 VanDerWaalsContact O-CB 3.26Å; N190-A194 WeakPolarHBondContact O-CB 3.17Å; N190-A194 PolarHBondContact O-N 3.2Å; V191-A194 PolarHBondContact O-N 2.93Å; Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 2.96Å; A194-Y197 PolarHBondContact O-N 3.35Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 2.88Å
195	V	43.3	Very low	39.5	Very low	25 Å²	25	83 Å²	83	15%	0.152	43%	0.428	C	S	.	.	H	α-helix	trans	-70.3	-38.6	178.2	168.9	0	0	0	0	111.7	V163 L166 I176 V191 Y192 V198 A199	V163-V195 HydrophobicContact CG2-CG1 3.93Å; L166-V195 HydrophobicContact CD1-CG1 3.62Å; L166-V195 HydrophobicContact CD1-CG2 4.34Å; I176-V195 HydrophobicContact CD1-CG2 4.33Å; V191-V195 HydrophobicContact CG1-CG2 4.44Å; V191-V195 WeakPolarHBondContact O-CG2 3.49Å; V191-V195 PolarHBondContact O-N 3.43Å; Y192-V195 PolarHBondContact O-N 3.42Å; V195-V198 PolarHBondContact O-N 2.9Å; V195-A199 WeakPolarHBondContact O-CB 3.35Å; V195-A199 PolarHBondContact O-N 2.92Å
196	V	45.6	Very low	39.2	Very low	47 Å²	47	82.9 Å²	82.9	29%	0.285	43%	0.433	S	S	.	.	H	α-helix	trans	-59.9	-48.3	172	170.3	0	0	0	0	110.4	Y192 V198 A199 E200	Y192-V196 HydrophobicContact CD1-CG2 3.99Å; Y192-V196 HydrophobicContact CE1-CG2 3.83Å; Y192-V196 WeakPolarHBondContact O-CG2 3.42Å; Y192-V196 PolarHBondContact O-N 3.29Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 3.47Å; V196-A199 PolarHBondContact O-N 2.94Å; V196-A199 VanDerWaalsContact O-N 3.12Å; V196-E200 HydrophobicContact CG1-CG 4.36Å; V196-E200 WeakPolarHBondContact O-CG 3.32Å; V196-E200 PolarHBondContact O-N 2.69Å
197	Y	45.9	Very low	39	Very low	112 Å²	112	85.2 Å²	85.2	44%	0.439	45%	0.446	S	S	.	.	H	α-helix	trans	-59.1	-40.7	177.6	-176.8	-96.1	0	0	0	113.1	H179 F180 E193 A194 T201	H179-Y197 AromaticContact NE2-CE1 3.99Å; F180-Y197 AromaticContact CZ-CD1 3.74Å; F180-Y197 HydrophobicContact CZ-CD1 3.74Å; F180-Y197 HydrophobicContact CZ-CE1 4.38Å; F180-Y197 HydrophobicContact CZ-CG 4.32Å; E193-Y197 WeakPolarHBondContact O-CB 3.4Å; E193-Y197 PolarHBondContact O-N 3.35Å; E193-Y197 VanDerWaalsContact O-N 3.11Å; A194-Y197 PolarHBondContact O-N 3.35Å; Y197-T201 HydrophobicContact CD1-CG2 4.32Å; Y197-T201 HydrophobicContact CE1-CG2 3.97Å; Y197-T201 HydrophobicContact CE2-CG2 4.2Å; Y197-T201 WeakPolarHBondContact O-CB 3.37Å; Y197-T201 WeakPolarHBondContact O-CG2 3.46Å; Y197-T201 PolarHBondContact O-N 3.47Å; Y197-T201 PolarHBondContact O-OG1 2.89Å
198	V	44	Very low	38.8	Very low	40 Å²	40	91.9 Å²	91.9	24%	0.242	47%	0.465	C	S	.	.	H	α-helix	trans	-66.9	-39.7	175.2	171.2	0	0	0	0	111.5	F180 A194 V195 V196 T201 E202	F180-V198 HydrophobicContact CE2-CG2 4.44Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 2.88Å; V195-V198 PolarHBondContact O-N 2.9Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 3.47Å; V198-T201 WeakPolarHBondContact CA-OG1 3.34Å; V198-T201 PolarHBondContact O-N 2.69Å; V198-T201 PolarHBondContact O-OG1 3.01Å; V198-E202 WeakPolarHBondContact O-CG 3.45Å; V198-E202 PolarHBondContact O-N 3.02Å
199	A	40	Very low	38.7	Very low	45 Å²	45	92.5 Å²	92.5	37%	0.372	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.3	0	0	0	0	0	112.3	V195 V196 C203	V195-A199 WeakPolarHBondContact O-CB 3.35Å; V195-A199 PolarHBondContact O-N 2.92Å; V196-A199 PolarHBondContact O-N 2.94Å; V196-A199 VanDerWaalsContact O-N 3.12Å; A199-C203 VanDerWaalsContact O-CB 3.22Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 2.76Å
200	E	38.5	Very low	38.4	Very low	122 Å²	122	89.2 Å²	89.2	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-40.3	176.8	-69.8	175.2	164.2	0	0	112.1	V196 C203 S204	V196-E200 HydrophobicContact CG1-CG 4.36Å; V196-E200 WeakPolarHBondContact O-CG 3.32Å; V196-E200 PolarHBondContact O-N 2.69Å; E200-C203 PolarHBondContact O-N 3.02Å; E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 PolarHBondContact O-OG 3.29Å
201	T	40.2	Very low	37.8	Very low	38 Å²	38	95.5 Å²	95.5	23%	0.233	50%	0.504	C	S	.	.	H	α-helix	trans	-77.6	-24.9	-179.9	52.7	0	0	0	0	114.2	Y197 V198 S204 K205	Y197-T201 HydrophobicContact CD1-CG2 4.32Å; Y197-T201 HydrophobicContact CE1-CG2 3.97Å; Y197-T201 HydrophobicContact CE2-CG2 4.2Å; Y197-T201 WeakPolarHBondContact O-CB 3.37Å; Y197-T201 WeakPolarHBondContact O-CG2 3.46Å; Y197-T201 PolarHBondContact O-N 3.47Å; Y197-T201 PolarHBondContact O-OG1 2.89Å; V198-T201 WeakPolarHBondContact CA-OG1 3.34Å; V198-T201 PolarHBondContact O-N 2.69Å; V198-T201 PolarHBondContact O-OG1 3.01Å; T201-S204 WeakPolarHBondContact CA-OG 3.25Å; T201-S204 PolarHBondContact O-OG 3.35Å; T201-K205 WeakPolarHBondContact O-CD 3.39Å; T201-K205 WeakPolarHBondContact O-CE 3.4Å; T201-K205 WeakPolarHBondContact O-CG 3.42Å
202	E	38.1	Very low	37.3	Very low	104 Å²	104	97 Å²	97	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-78.7	-38.8	166.8	-69.1	-56.3	130.2	0	0	111.8	V198 S204 K205	V198-E202 WeakPolarHBondContact O-CG 3.45Å; V198-E202 PolarHBondContact O-N 3.02Å; E202-S204 VanDerWaalsContact C-N 3.28Å; E202-S204 PolarHBondContact O-N 3.49Å; E202-K205 PolarHBondContact O-N 3.45Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.7Å; E202-K205 PolarHBondContact OE1-NZ 3.24Å; E202-K205 IonicContact OE2-NZ 3.74Å
203	C	34.2	Very low	36.6	Very low	76 Å²	76	97.8 Å²	97.8	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-33.7	178.4	-165.9	0	0	0	0	112.6	A199 E200 K205 S206	A199-C203 VanDerWaalsContact O-CB 3.22Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 2.76Å; E200-C203 PolarHBondContact O-N 3.02Å; C203-K205 VanDerWaalsContact C-N 3.28Å; C203-K205 PolarHBondContact O-N 2.93Å; C203-S206 VanDerWaalsContact O-CB 3.32Å; C203-S206 WeakPolarHBondContact O-CB 3.31Å; C203-S206 PolarHBondContact O-N 3.3Å
204	S	34.8	Very low	35.8	Very low	88 Å²	88	101.8 Å²	101.8	62%	0.615	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-8.6	176.5	53.1	0	0	0	0	115	E200 T201 E202 S206	E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 PolarHBondContact O-OG 3.29Å; T201-S204 WeakPolarHBondContact CA-OG 3.25Å; T201-S204 PolarHBondContact O-OG 3.35Å; E202-S204 VanDerWaalsContact C-N 3.28Å; E202-S204 PolarHBondContact O-N 3.49Å; S204-S206 VanDerWaalsContact C-N 3.34Å
205	K	36	Very low	35	Very low	136 Å²	136	110.5 Å²	110.5	59%	0.591	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-2.9	172.2	-65.5	165.9	-168.5	168.3	0	113.1	T201 E202 C203	T201-K205 WeakPolarHBondContact O-CD 3.39Å; T201-K205 WeakPolarHBondContact O-CE 3.4Å; T201-K205 WeakPolarHBondContact O-CG 3.42Å; E202-K205 PolarHBondContact O-N 3.45Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.7Å; E202-K205 PolarHBondContact OE1-NZ 3.24Å; E202-K205 IonicContact OE2-NZ 3.74Å; C203-K205 VanDerWaalsContact C-N 3.28Å; C203-K205 PolarHBondContact O-N 2.93Å
206	S	31.6	Very low	34.3	Very low	64 Å²	64	114.2 Å²	114.2	45%	0.448	62%	0.62	S	S	.	*	S	Bend	trans	-68.8	138.2	-179.6	-173.1	0	0	0	0	112.3	C203 S204 Y208	C203-S206 VanDerWaalsContact O-CB 3.32Å; C203-S206 WeakPolarHBondContact O-CB 3.31Å; C203-S206 PolarHBondContact O-N 3.3Å; S204-S206 VanDerWaalsContact C-N 3.34Å; S206-Y208 PolarHBondContact O-N 3.17Å
207	K	30.5	Very low	33.5	Very low	204 Å²	204	118.2 Å²	118.2	89%	0.887	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	12.1	-171.3	-115.5	-178.7	-178.9	-178	0	116
208	Y	30.6	Very low	32.5	Very low	194 Å²	194	118.5 Å²	118.5	76%	0.761	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	14.7	-170.3	-70.1	-87.1	0	0	0	114.5	S206 S210	S206-Y208 PolarHBondContact O-N 3.17Å; Y208-S210 PolarHBondContact O-N 2.66Å
209	A	28.5	Very low	31.6	Very low	99 Å²	99	121 Å²	121	82%	0.818	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	14.5	-170.7	0	0	0	0	0	116.7
210	S	29.4	Very low	30.9	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	3.2	-165.2	54.6	0	0	0	0	116.5	Y208	Y208-S210 PolarHBondContact O-N 2.66Å
211	M	30.1	Very low	30.2	Very low	180 Å²	180	129.2 Å²	129.2	89%	0.887	72%	0.72	S	S	*	*	S	Bend	trans	-124	18.6	-168.3	-68.6	-170.7	68.7	0	0	116.5
212	A	29.3	Very low	29.4	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	75%	0.745	S	S	*	*			trans	-132.8	48.7	-172.4	0	0	0	0	0	115.3
213	L	26.4	Very low	28.8	Very low	169 Å²	169	136 Å²	136	89%	0.885	75%	0.75	S	S	*	*			trans	-84.3	152.4	155.2	-76.7	159.9	0	0	0	109.1
214	Q	29.4	Very low	28.3	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	76%	0.756	S	S	*	*	S	Bend	trans	77.7	64.6	-179.8	-47.8	-178.5	8.2	0	0	118.4
215	Q	28.9	Very low	27.8	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	77%	0.768	S	S	*	*	S	Bend	trans	-168.6	158.4	136.9	-107.2	151.7	99.9	0	0	111.6
216	P	28.5	Very low	27.3	Very low	104 Å²	104	139 Å²	139	68%	0.675	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.1	154	-177.4	31.8	-34.3	0	0	0	112.1	C218	P216-C218 PolarHBondContact O-N 2.91Å
217	P	29.5	Very low	26.9	Very low	130 Å²	130	144.2 Å²	144.2	84%	0.844	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.2	-173	28.1	-34.8	0	0	0	112.5	A219	P217-A219 PolarHBondContact O-N 3.39Å
218	C	25.1	Very low	26.6	Very low	118 Å²	118	142 Å²	142	80%	0.797	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.6	121.4	169.1	-64.3	0	0	0	0	110.2	P216 F220	P216-C218 PolarHBondContact O-N 2.91Å; C218-F220 PolarHBondContact O-N 3.43Å
219	A	24.7	Very low	26.2	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-73.9	121.7	177.5	0	0	0	0	0	111.3	P217	P217-A219 PolarHBondContact O-N 3.39Å
220	F	24.7	Very low	26	Very low	187 Å²	187	141.1 Å²	141.1	82%	0.82	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-73.2	125.7	166.4	-81.6	-99.5	0	0	0	109.6	C218	C218-F220 PolarHBondContact O-N 3.43Å
221	I	24.8	Very low	25.6	Very low	153 Å²	153	142 Å²	142	79%	0.785	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-101.2	118.3	179.2	-61.5	175.3	0	0	0	108.9	P223	I221-P223 WeakPolarHBondContact O-CD 3.37Å
222	Y	23.4	Very low	25.3	Very low	194 Å²	194	138.7 Å²	138.7	76%	0.761	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.1	120.5	171.1	-91.8	-95.4	0	0	0	110.6	G224	Y222-G224 PolarHBondContact O-N 3Å; Y222-G224 VanDerWaalsContact O-N 3.14Å
223	P	24.3	Very low	24.9	Very low	91 Å²	91	141.6 Å²	141.6	59%	0.591	77%	0.766	S	S	*	*			trans	-83.5	82.9	172.4	33.2	-32.6	0	0	0	110.2	I221	I221-P223 WeakPolarHBondContact O-CD 3.37Å
224	G	23.8	Very low	24.8	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	75%	0.751	S	S	*	*			trans	-160.2	18	-166.4	0	0	0	0	0	120.1	Y222	Y222-G224 PolarHBondContact O-N 3Å; Y222-G224 VanDerWaalsContact O-N 3.14Å
225	K	25	Very low	24.6	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	76%	0.757	S	S	*	*			trans	179.7	122.6	157.7	-106.7	166.1	-173.7	-176	0	111
226	S	24.6	Very low	24.4	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	74%	0.743	S	S	*	*			trans	-82.4	124.4	172.7	37	0	0	0	0	111.4
227	Y	23.6	Very low	24.4	Very low	172 Å²	172	137.8 Å²	137.8	68%	0.675	75%	0.749	S	S	*	*			trans	-150.3	65.1	162.7	-96	-84.7	0	0	0	107.6	C229 R277	Y227-C229 PolarHBondContact O-N 3.44Å; Y227-R277 VanDerWaalsContact CD1-NH2 3.31Å; Y227-R277 VanDerWaalsContact CD2-NH2 3.26Å
228	E	24.4	Very low	24.1	Very low	157 Å²	157	140 Å²	140	73%	0.734	75%	0.753	S	S	*	*			trans	-83.5	95.1	-179.7	-69.6	-162.2	130.3	0	0	111.6	F230	E228-F230 VanDerWaalsContact C-N 3.32Å; E228-F230 HydrophobicContact CB-CD2 4.17Å; E228-F230 HydrophobicContact CB-CE2 4.34Å; E228-F230 PolarHBondContact O-N 3.3Å; E228-F230 WeakPolarHBondContact OE2-CE2 3.27Å
229	C	22.3	Very low	24	Very low	101 Å²	101	143.6 Å²	143.6	68%	0.682	76%	0.755	S	S	*	*			trans	-72.5	87.7	162.2	-69.6	0	0	0	0	109.7	Y227 V231	Y227-C229 PolarHBondContact O-N 3.44Å; C229-V231 PolarHBondContact O-N 2.87Å
230	F	23.4	Very low	23.9	Very low	174 Å²	174	145.8 Å²	145.8	76%	0.763	76%	0.759	S	S	*	*			trans	-65.8	99.8	170.2	-98.3	-83	0	0	0	110.8	E228 S232	E228-F230 VanDerWaalsContact C-N 3.32Å; E228-F230 HydrophobicContact CB-CD2 4.17Å; E228-F230 HydrophobicContact CB-CE2 4.34Å; E228-F230 PolarHBondContact O-N 3.3Å; E228-F230 WeakPolarHBondContact OE2-CE2 3.27Å; F230-S232 PolarHBondContact O-N 3.48Å
231	V	21.7	Very low	23.9	Very low	124 Å²	124	146 Å²	146	75%	0.752	76%	0.762	S	S	*	*			trans	-71.3	115.7	159.9	176	0	0	0	0	107.7	C229 I233	C229-V231 PolarHBondContact O-N 2.87Å; V231-I233 PolarHBondContact O-N 2.97Å; V231-I233 VanDerWaalsContact O-N 3.14Å
232	S	22.7	Very low	23.8	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	76%	0.761	S	S	*	*			trans	-67.4	107.4	179.3	56.5	0	0	0	0	111.4	F230 S234	F230-S232 PolarHBondContact O-N 3.48Å; S232-S234 PolarHBondContact O-N 3.46Å
233	I	22.5	Very low	24.1	Very low	162 Å²	162	139 Å²	139	83%	0.831	76%	0.764	S	S	*	*			trans	-83.8	104.8	162.7	-62	179.1	0	0	0	107.5	V231	V231-I233 PolarHBondContact O-N 2.97Å; V231-I233 VanDerWaalsContact O-N 3.14Å
234	S	24.3	Very low	24.1	Very low	80 Å²	80	141.5 Å²	141.5	56%	0.559	78%	0.777	S	S	*	*			trans	-58.4	141	170	-176.6	0	0	0	0	110.3	S232 S236	S232-S234 PolarHBondContact O-N 3.46Å; S234-S236 PolarHBondContact OG-N 3.47Å; S234-S236 PolarHBondContact OG-OG 2.88Å
235	K	24.3	Very low	24.1	Very low	224 Å²	224	150 Å²	150	97%	0.974	79%	0.79	S	S	*	*	S	Bend	trans	-97.5	12.2	178.3	-135.9	175.5	-173.7	177.9	0	113.3
236	S	25.7	Very low	24.1	Very low	84 Å²	84	146.5 Å²	146.5	59%	0.587	79%	0.79	S	S	*	*			trans	-113.2	154.4	176	53.3	0	0	0	0	112.4	S234	S234-S236 PolarHBondContact OG-N 3.47Å; S234-S236 PolarHBondContact OG-OG 2.88Å
237	E	27	Very low	24.2	Very low	175 Å²	175	145 Å²	145	82%	0.818	79%	0.789	S	S	*	*			trans	72.7	66.2	172.7	-49.9	-144.2	143.7	0	0	118.1	K239	E237-K239 PolarHBondContact O-N 3.35Å
238	L	23.1	Very low	24.4	Very low	177 Å²	177	142.5 Å²	142.5	93%	0.927	80%	0.795	S	S	*	*			trans	-66.7	101.5	151.7	-83.9	162.8	0	0	0	110.9
239	K	23.8	Very low	24.5	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.835	79%	0.793	S	S	*	*			trans	-137.8	132.9	159.3	-77.6	-173.4	178.3	168.2	0	111.5	E237	E237-K239 PolarHBondContact O-N 3.35Å
240	V	23.3	Very low	24.7	Very low	138 Å²	138	142.7 Å²	142.7	84%	0.836	80%	0.798	S	S	*	*			trans	-121	122.4	178.5	175.6	0	0	0	0	108.6
241	Q	23.8	Very low	24.7	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	80%	0.804	S	S	*	*			trans	-150	133.8	167.6	-76.2	-164.8	-26.4	0	0	112.1
242	G	23.5	Very low	24.9	Very low	74 Å²	74	147.3 Å²	147.3	76%	0.763	81%	0.811	S	S	*	*			trans	80	120.9	144.8	0	0	0	0	0	118.9
243	P	28.4	Very low	25	Very low	126 Å²	126	146.7 Å²	146.7	82%	0.818	81%	0.807	S	S	*	*			trans	-93	147.9	166.2	36.1	-31.6	0	0	0	112.4
244	V	23.8	Very low	25.1	Very low	143 Å²	143	146 Å²	146	87%	0.867	81%	0.805	S	S	*	*			trans	-134.5	130.6	161.5	-178.4	0	0	0	0	108.9
245	R	23.8	Very low	25.1	Very low	241 Å²	241	148.7 Å²	148.7	91%	0.909	82%	0.817	S	S	*	*			trans	-109.2	140.1	174.7	-73.6	-177.9	173.7	-172.7	-1.5	110.6
246	C	25.7	Very low	25.3	Very low	127 Å²	127	144 Å²	144	86%	0.858	80%	0.802	S	S	*	*			trans	-138.8	131.4	152.8	-62.1	0	0	0	0	108.3
247	G	27.1	Very low	25.6	Very low	69 Å²	69	147 Å²	147	71%	0.711	81%	0.811	S	S	*	*			trans	-86.6	-160.5	176.8	0	0	0	0	0	112.9
248	P	27.8	Very low	25.8	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	78%	0.784	S	S	*	*			cis	-103.7	143.6	10.1	17.1	3.4	0	0	0	112.9
249	T	25.8	Very low	26.5	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	77%	0.774	S	S	*	*				68	107.8	62.6	67.4	0	0	0	0	116
250	D	26.3	Very low	27.1	Very low	149 Å²	149	131.6 Å²	131.6	80%	0.797	75%	0.751	S	S	*	*			trans	62.1	104.8	142.7	-45.3	-29.7	0	0	0	121.2
251	K	25.3	Very low	27.8	Very low	204 Å²	204	128.5 Å²	128.5	89%	0.887	74%	0.739	S	S	*	*				-163	153.2	120.5	-106	163.8	-172.8	179.7	0	111.7
252	E	25.9	Very low	28.5	Very low	190 Å²	190	125.5 Å²	125.5	89%	0.888	73%	0.725	S	S	*	*			trans	-70.4	147.1	-173.5	-61.1	151.1	123	0	0	112.7
253	S	23.9	Very low	29.3	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	70%	0.704	S	S	*	*			trans	-160.6	113.5	152.3	-23.3	0	0	0	0	111
254	D	25.2	Very low	29.9	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	69%	0.692	S	S	*	*			trans	48.3	94.5	145.4	-45.5	-32.8	0	0	0	118.8	L256	D254-L256 PolarHBondContact O-N 3.16Å
255	V	24.6	Very low	30.8	Very low	137 Å²	137	121.7 Å²	121.7	83%	0.83	67%	0.673	S	S	*	*			trans	-70.6	118.1	160	176.6	0	0	0	0	109	D257	V255-D257 PolarHBondContact O-N 3.47Å
256	L	28.1	Very low	31.6	Very low	124 Å²	124	114.6 Å²	114.6	65%	0.649	65%	0.653	S	S	*	*			trans	-74.6	105.7	170	-105.1	163.2	0	0	0	109.9	D254 I258	D254-L256 PolarHBondContact O-N 3.16Å; L256-I258 PolarHBondContact O-N 3.05Å; L256-I258 VanDerWaalsContact O-N 3.08Å
257	D	31.3	Very low	32.2	Very low	147 Å²	147	113 Å²	113	79%	0.786	64%	0.635	S	S	*	*			trans	-82	84.9	-177	-147.3	7.5	0	0	0	110.5	V255 P259	V255-D257 PolarHBondContact O-N 3.47Å; D257-P259 WeakPolarHBondContact O-CD 3.33Å
258	I	32.4	Very low	33	Very low	48 Å²	48	115.8 Å²	115.8	25%	0.246	63%	0.63	C	S	.	*			trans	-70.5	112.5	179.1	-61.3	175.8	0	0	0	108.5	L256 D260	L256-I258 PolarHBondContact O-N 3.05Å; L256-I258 VanDerWaalsContact O-N 3.08Å; I258-D260 VanDerWaalsContact C-N 3.27Å; I258-D260 PolarHBondContact O-N 2.94Å; I258-D260 VanDerWaalsContact O-N 3.14Å
259	P	36.6	Very low	33.7	Very low	110 Å²	110	114.8 Å²	114.8	71%	0.714	62%	0.616	S	S	*	*			trans	-81.5	3.8	-159.8	33.2	-38.3	0	0	0	115	D257	D257-P259 WeakPolarHBondContact O-CD 3.33Å
260	D	35.7	Very low	34.3	Very low	64 Å²	64	114.3 Å²	114.3	34%	0.342	61%	0.605	S	S	.	*			trans	-143.8	149.9	-178.4	86	82.5	0	0	0	113.5	I258 H262 S263 K264	I258-D260 VanDerWaalsContact C-N 3.27Å; I258-D260 PolarHBondContact O-N 2.94Å; I258-D260 VanDerWaalsContact O-N 3.14Å; D260-H262 VanDerWaalsContact OD1-CA 3.31Å; D260-H262 WeakPolarHBondContact OD1-CA 3.26Å; D260-H262 VanDerWaalsContact OD1-CB 3.26Å; D260-H262 WeakPolarHBondContact OD1-CB 3.43Å; D260-H262 PolarHBondContact OD1-N 3.42Å; D260-S263 PolarHBondContact OD1-N 3.27Å; D260-S263 PolarHBondContact OD1-OG 2.9Å; D260-S263 VanDerWaalsContact OD2-CB 3.31Å; D260-S263 WeakPolarHBondContact OD2-CB 3.48Å; D260-S263 PolarHBondContact OD2-OG 3.48Å; D260-K264 PolarHBondContact O-N 2.93Å
261	A	38.3	Very low	34.9	Very low	72 Å²	72	112.3 Å²	112.3	60%	0.595	59%	0.592	S	S	*	*	H	α-helix	trans	-79.7	-12.7	-176.5	0	0	0	0	0	114.2	N265	A261-N265 WeakPolarHBondContact O-CB 3.22Å; A261-N265 PolarHBondContact O-N 3.47Å; A261-N265 VanDerWaalsContact O-N 3.08Å; A261-N265 PolarHBondContact O-ND2 3.26Å
262	H	38.8	Very low	35.4	Very low	130 Å²	130	112.7 Å²	112.7	60%	0.602	59%	0.588	S	S	*	*	H	α-helix	trans	-79.1	-48.8	178.2	179.6	79.2	0	0	0	110.1	D260 K264 N265 L266	D260-H262 VanDerWaalsContact OD1-CA 3.31Å; D260-H262 WeakPolarHBondContact OD1-CA 3.26Å; D260-H262 VanDerWaalsContact OD1-CB 3.26Å; D260-H262 WeakPolarHBondContact OD1-CB 3.43Å; D260-H262 PolarHBondContact OD1-N 3.42Å; H262-K264 VanDerWaalsContact C-N 3.29Å; H262-K264 PolarHBondContact O-N 2.95Å; H262-N265 PolarHBondContact O-N 3.45Å; H262-N265 VanDerWaalsContact O-N 3.16Å; H262-L266 WeakPolarHBondContact O-CG 3.3Å; H262-L266 PolarHBondContact O-N 2.76Å
263	S	40.5	Very low	35.8	Very low	47 Å²	47	109.6 Å²	109.6	33%	0.329	57%	0.574	S	S	.	*	H	α-helix	trans	-55.8	-43.4	170.9	-59	0	0	0	0	111.5	D260 L266 L267	D260-S263 PolarHBondContact OD1-N 3.27Å; D260-S263 PolarHBondContact OD1-OG 2.9Å; D260-S263 VanDerWaalsContact OD2-CB 3.31Å; D260-S263 WeakPolarHBondContact OD2-CB 3.48Å; D260-S263 PolarHBondContact OD2-OG 3.48Å; S263-L266 PolarHBondContact O-N 3.19Å; S263-L267 PolarHBondContact O-N 3.26Å
264	K	41.7	Very low	36.4	Very low	128 Å²	128	110.3 Å²	110.3	56%	0.557	56%	0.562	S	S	*	*	H	α-helix	trans	-65.5	-37.9	177	-160.9	167.5	-171.2	164.7	0	113.2	D260 H262 Q268	D260-K264 PolarHBondContact O-N 2.93Å; H262-K264 VanDerWaalsContact C-N 3.29Å; H262-K264 PolarHBondContact O-N 2.95Å; K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.33Å
265	N	42.2	Very low	36.8	Very low	87 Å²	87	109.9 Å²	109.9	47%	0.465	56%	0.56	S	S	.	*	H	α-helix	trans	-69.6	-43.7	173.4	-92.1	-52.3	0	0	0	112.3	A261 H262 L267 Q268 I269	A261-N265 WeakPolarHBondContact O-CB 3.22Å; A261-N265 PolarHBondContact O-N 3.47Å; A261-N265 VanDerWaalsContact O-N 3.08Å; A261-N265 PolarHBondContact O-ND2 3.26Å; H262-N265 PolarHBondContact O-N 3.45Å; H262-N265 VanDerWaalsContact O-N 3.16Å; N265-L267 VanDerWaalsContact C-N 3.28Å; N265-L267 PolarHBondContact O-N 2.93Å; N265-Q268 PolarHBondContact O-N 3.48Å; N265-Q268 VanDerWaalsContact O-N 3.09Å; N265-I269 VanDerWaalsContact O-CG1 3.31Å; N265-I269 WeakPolarHBondContact O-CG1 3.22Å; N265-I269 PolarHBondContact O-N 2.8Å
266	L	39.7	Very low	37.4	Very low	93 Å²	93	106.1 Å²	106.1	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-56.9	-43.4	176.7	-76.1	170.6	0	0	0	111.2	H262 S263 Q268 I269 F270	H262-L266 WeakPolarHBondContact O-CG 3.3Å; H262-L266 PolarHBondContact O-N 2.76Å; S263-L266 PolarHBondContact O-N 3.19Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-Q268 PolarHBondContact O-N 2.77Å; L266-I269 PolarHBondContact O-N 3.13Å; L266-F270 VanDerWaalsContact O-CB 3.27Å; L266-F270 WeakPolarHBondContact O-CB 3.35Å; L266-F270 PolarHBondContact O-N 3.22Å
267	L	38.8	Very low	37.8	Very low	94 Å²	94	107.2 Å²	107.2	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-38.5	176.2	-146.1	80.8	0	0	0	112.5	S263 N265 M271	S263-L267 PolarHBondContact O-N 3.26Å; N265-L267 VanDerWaalsContact C-N 3.28Å; N265-L267 PolarHBondContact O-N 2.93Å; L267-M271 WeakPolarHBondContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CG 3.31Å; L267-M271 PolarHBondContact O-N 3.44Å
268	Q	43.4	Very low	37.7	Very low	127 Å²	127	107.2 Å²	107.2	59%	0.593	54%	0.54	S	S	*	.	H	α-helix	trans	-71.3	-38.9	176.3	-74	-173.9	-4.6	0	0	113.1	K264 N265 L266 R272	K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.33Å; N265-Q268 PolarHBondContact O-N 3.48Å; N265-Q268 VanDerWaalsContact O-N 3.09Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-Q268 PolarHBondContact O-N 2.77Å; Q268-R272 VanDerWaalsContact O-CB 3.28Å; Q268-R272 WeakPolarHBondContact O-CB 3.28Å; Q268-R272 PolarHBondContact O-N 2.91Å
269	I	43.6	Very low	37.9	Very low	99 Å²	99	108 Å²	108	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-62.8	-48.2	173.8	-68.2	163	0	0	0	109.4	N265 L266 M271 R272 E273	N265-I269 VanDerWaalsContact O-CG1 3.31Å; N265-I269 WeakPolarHBondContact O-CG1 3.22Å; N265-I269 PolarHBondContact O-N 2.8Å; L266-I269 PolarHBondContact O-N 3.13Å; I269-M271 PolarHBondContact O-N 3.27Å; I269-R272 PolarHBondContact O-N 3.05Å; I269-R272 VanDerWaalsContact O-N 3.08Å; I269-E273 PolarHBondContact O-N 3.13Å
270	F	38	Very low	37.8	Very low	104 Å²	104	106.3 Å²	106.3	46%	0.456	54%	0.538	S	S	.	.	H	α-helix	trans	-56.5	-51.5	176.6	-171.7	-92.5	0	0	0	111.6	L266 R272 E273 Y274 A286	L266-F270 VanDerWaalsContact O-CB 3.27Å; L266-F270 WeakPolarHBondContact O-CB 3.35Å; L266-F270 PolarHBondContact O-N 3.22Å; F270-R272 PolarHBondContact O-N 3.12Å; F270-E273 PolarHBondContact O-N 3.26Å; F270-Y274 HydrophobicContact CE1-CD2 4.22Å; F270-Y274 WeakPolarHBondContact O-CB 3.38Å; F270-Y274 PolarHBondContact O-N 3.21Å; F270-A286 HydrophobicContact CZ-CB 3.81Å
271	M	38.1	Very low	37.8	Very low	107 Å²	107	109 Å²	109	53%	0.527	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-24.8	177	-72.4	-72	-73.8	0	0	113.7	L267 I269 N275	L267-M271 WeakPolarHBondContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CG 3.31Å; L267-M271 PolarHBondContact O-N 3.44Å; I269-M271 PolarHBondContact O-N 3.27Å; M271-N275 PolarHBondContact O-ND2 2.88Å
272	R	36.3	Very low	37.7	Very low	212 Å²	212	108.1 Å²	108.1	80%	0.8	54%	0.542	S	S	*	.	H	α-helix	trans	-80.9	-43.3	178.2	-170.5	174.3	-178.9	178.8	-1.7	112.1	Q268 I269 F270	Q268-R272 VanDerWaalsContact O-CB 3.28Å; Q268-R272 WeakPolarHBondContact O-CB 3.28Å; Q268-R272 PolarHBondContact O-N 2.91Å; I269-R272 PolarHBondContact O-N 3.05Å; I269-R272 VanDerWaalsContact O-N 3.08Å; F270-R272 PolarHBondContact O-N 3.12Å
273	E	35.1	Very low	37.5	Very low	125 Å²	125	103.2 Å²	103.2	58%	0.584	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-43.7	171.8	-70.6	-70.3	131.4	0	0	111.5	I269 F270 N275 S276	I269-E273 PolarHBondContact O-N 3.13Å; F270-E273 PolarHBondContact O-N 3.26Å; E273-N275 PolarHBondContact O-N 3.22Å; E273-N275 VanDerWaalsContact O-N 3.1Å; E273-S276 WeakPolarHBondContact O-CB 3.29Å; E273-S276 PolarHBondContact O-N 2.78Å; E273-S276 PolarHBondContact O-OG 2.87Å
274	Y	36.6	Very low	37.1	Very low	114 Å²	114	105.7 Å²	105.7	45%	0.447	53%	0.529	S	S	.	.	H	α-helix	trans	-57.5	-26.6	-174.3	-174.8	-96.2	0	0	0	114.6	F270 S276	F270-Y274 HydrophobicContact CE1-CD2 4.22Å; F270-Y274 WeakPolarHBondContact O-CB 3.38Å; F270-Y274 PolarHBondContact O-N 3.21Å; Y274-S276 PolarHBondContact O-N 3.28Å
275	N	33.5	Very low	36.8	Very low	139 Å²	139	106.9 Å²	106.9	74%	0.743	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.2	178.3	-78.4	-68.4	0	0	0	114.3	M271 E273	M271-N275 PolarHBondContact O-ND2 2.88Å; E273-N275 PolarHBondContact O-N 3.22Å; E273-N275 VanDerWaalsContact O-N 3.1Å
276	S	37.1	Very low	36.3	Very low	58 Å²	58	104 Å²	104	41%	0.406	52%	0.518	S	S	.	.	S	Bend	trans	-111	-16.6	-170.2	71	0	0	0	0	116.8	E273 Y274	E273-S276 WeakPolarHBondContact O-CB 3.29Å; E273-S276 PolarHBondContact O-N 2.78Å; E273-S276 PolarHBondContact O-OG 2.87Å; Y274-S276 PolarHBondContact O-N 3.28Å
277	R	35.8	Very low	35.9	Very low	146 Å²	146	102.7 Å²	102.7	55%	0.551	51%	0.511	S	S	*	.			trans	-141.6	131.2	-170.1	-64.9	177.6	-166.3	-102.4	-7.9	113.2	Y227	Y227-R277 VanDerWaalsContact CD1-NH2 3.31Å; Y227-R277 VanDerWaalsContact CD2-NH2 3.26Å
278	T	29.8	Very low	35.7	Very low	147 Å²	147	103.9 Å²	103.9	90%	0.902	51%	0.51	S	S	*	.			trans	-95.9	116.6	-179.7	46.3	0	0	0	0	112.9
279	C	36.8	Very low	35.3	Very low	66 Å²	66	100.8 Å²	100.8	45%	0.446	51%	0.512	S	S	.	.			trans	-159.2	113.3	166	-179.8	0	0	0	0	109.9	E281 A282	C279-E281 VanDerWaalsContact C-N 3.28Å; C279-E281 PolarHBondContact O-N 3.46Å; C279-E281 PolarHBondContact SG-OE2 3.44Å; C279-A282 HydrophobicContact CB-CB 4.16Å; C279-A282 PolarHBondContact O-N 2.73Å
280	P	33.5	Very low	34.9	Very low	73 Å²	73	99.6 Å²	99.6	47%	0.474	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-34.4	178.1	-25.7	35.4	0	0	0	114.1	A282 M283	P280-A282 VanDerWaalsContact C-N 3.33Å; P280-A282 PolarHBondContact O-N 2.9Å; P280-M283 WeakPolarHBondContact O-CB 3.19Å; P280-M283 PolarHBondContact O-N 2.78Å
281	E	35.9	Very low	35.1	Very low	120 Å²	120	97.1 Å²	97.1	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-65.5	-35.1	-178.1	-68.2	74.6	-172.3	0	0	111.8	C279 M283 L284	C279-E281 VanDerWaalsContact C-N 3.28Å; C279-E281 PolarHBondContact O-N 3.46Å; C279-E281 PolarHBondContact SG-OE2 3.44Å; E281-M283 PolarHBondContact O-N 3.11Å; E281-L284 WeakPolarHBondContact O-CB 3.37Å; E281-L284 PolarHBondContact O-N 3.28Å; E281-L284 VanDerWaalsContact O-N 3.13Å
282	A	36.4	Very low	35.2	Very low	55 Å²	55	96 Å²	96	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-26.9	175.5	0	0	0	0	0	112.9	C279 P280 L284 W285 A286	C279-A282 HydrophobicContact CB-CB 4.16Å; C279-A282 PolarHBondContact O-N 2.73Å; P280-A282 VanDerWaalsContact C-N 3.33Å; P280-A282 PolarHBondContact O-N 2.9Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-W285 PolarHBondContact O-N 3.05Å; A282-A286 PolarHBondContact O-N 3.24Å; A282-A286 VanDerWaalsContact O-N 3.1Å
283	M	34.5	Very low	35.7	Very low	27 Å²	27	88.4 Å²	88.4	13%	0.133	48%	0.475	C	S	.	.	H	α-helix	trans	-73.2	-27.1	177.9	-157.4	-160.1	61.9	0	0	112.4	P280 E281 A286 L287 F323 F324	P280-M283 WeakPolarHBondContact O-CB 3.19Å; P280-M283 PolarHBondContact O-N 2.78Å; E281-M283 PolarHBondContact O-N 3.11Å; M283-A286 PolarHBondContact O-N 3.14Å; M283-L287 HydrophobicContact CE-CD1 3.71Å; M283-L287 HydrophobicContact CG-CD1 4.48Å; M283-L287 WeakPolarHBondContact O-CB 3.34Å; M283-L287 WeakPolarHBondContact O-CD1 3.38Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 3.4Å; M283-L287 VanDerWaalsContact O-N 3.07Å; M283-F323 VanDerWaalsContact CE-C 3.44Å; M283-F323 HydrophobicContact CE-CB 4.32Å; M283-F323 WeakPolarHBondContact CE-O 3.36Å; M283-F323 VanDerWaalsContact SD-C 3.51Å; M283-F323 HydrophobicContact SD-CB 3.84Å; M283-F323 HydrophobicContact SD-CD1 4.37Å; M283-F324 HydrophobicContact CE-CD1 4.14Å; M283-F324 HydrophobicContact CE-CG 4.39Å
284	L	33	Very low	36.4	Very low	99 Å²	99	89.6 Å²	89.6	52%	0.518	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-40.2	171.9	-88.6	162.6	0	0	0	111.3	E281 A282 L287 Y288	E281-L284 WeakPolarHBondContact O-CB 3.37Å; E281-L284 PolarHBondContact O-N 3.28Å; E281-L284 VanDerWaalsContact O-N 3.13Å; A282-L284 VanDerWaalsContact C-N 3.35Å; L284-L287 PolarHBondContact O-N 3.3Å; L284-Y288 WeakPolarHBondContact O-CB 3.49Å; L284-Y288 PolarHBondContact O-N 3.09Å
285	W	35.8	Very low	37.3	Very low	152 Å²	152	88.2 Å²	88.2	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-65	-41.9	174.2	-72.5	104.8	0	0	0	112.5	A282 L287 Y288 G289	A282-W285 PolarHBondContact O-N 3.05Å; W285-L287 VanDerWaalsContact C-N 3.29Å; W285-L287 PolarHBondContact O-N 3.2Å; W285-Y288 PolarHBondContact O-N 2.97Å; W285-Y288 VanDerWaalsContact O-N 3.12Å; W285-G289 PolarHBondContact O-N 3.5Å
286	A	31.7	Very low	38.5	Very low	26 Å²	26	84.1 Å²	84.1	22%	0.215	45%	0.45	C	S	.	.	H	α-helix	trans	-59	-38.9	173.4	0	0	0	0	0	112.6	F270 A282 M283	F270-A286 HydrophobicContact CZ-CB 3.81Å; A282-A286 PolarHBondContact O-N 3.24Å; A282-A286 VanDerWaalsContact O-N 3.1Å; M283-A286 PolarHBondContact O-N 3.14Å
287	L	30.9	Very low	39.6	Very low	67 Å²	67	88.5 Å²	88.5	35%	0.351	47%	0.469	S	S	.	.	H	α-helix	trans	-78.3	-16.7	176.6	-70	166.7	0	0	0	114	M283 L284 W285 F324	M283-L287 HydrophobicContact CE-CD1 3.71Å; M283-L287 HydrophobicContact CG-CD1 4.48Å; M283-L287 WeakPolarHBondContact O-CB 3.34Å; M283-L287 WeakPolarHBondContact O-CD1 3.38Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 3.4Å; M283-L287 VanDerWaalsContact O-N 3.07Å; L284-L287 PolarHBondContact O-N 3.3Å; W285-L287 VanDerWaalsContact C-N 3.29Å; W285-L287 PolarHBondContact O-N 3.2Å; L287-F324 HydrophobicContact CD1-CD1 4.37Å; L287-F324 HydrophobicContact CD1-CE1 3.52Å; L287-F324 HydrophobicContact CD1-CE2 4.31Å; L287-F324 HydrophobicContact CD1-CZ 3.5Å; L287-F324 VanDerWaalsContact CD1-CZ 3.5Å
288	Y	33.9	Very low	40.4	Very low	119 Å²	119	87.6 Å²	87.6	47%	0.467	48%	0.475	S	S	.	.	H	α-helix	trans	-87.6	-28.6	173.3	-111	-103.3	0	0	0	113	L284 W285 R342	L284-Y288 WeakPolarHBondContact O-CB 3.49Å; L284-Y288 PolarHBondContact O-N 3.09Å; W285-Y288 PolarHBondContact O-N 2.97Å; W285-Y288 VanDerWaalsContact O-N 3.12Å; Y288-R342 PolarHBondContact OH-NH1 3.36Å
289	G	35.6	Very low	41.6	Very low	61 Å²	61	84.5 Å²	84.5	63%	0.629	45%	0.451	S	S	*	.	H	α-helix	trans	-81.2	-19.3	-170.9	0	0	0	0	0	116.2	W285 S291	W285-G289 PolarHBondContact O-N 3.5Å; G289-S291 PolarHBondContact O-N 3.44Å
290	I	34.9	Very low	42.5	Very low	75 Å²	75	83 Å²	83	39%	0.385	44%	0.436	S	S	.	.			trans	-96.6	68.7	-172.9	-49.1	176.7	0	0	0	110.8	E305	I290-E305 HydrophobicContact CG2-CB 3.85Å
291	S	42.2	Very low	43.4	Very low	52 Å²	52	84.1 Å²	84.1	36%	0.364	43%	0.433	S	S	.	.			trans	-127.5	85	169.6	65	0	0	0	0	110.6	G289 I293	G289-S291 PolarHBondContact O-N 3.44Å; S291-I293 PolarHBondContact O-N 3.2Å
292	V	40.8	Very low	44.1	Very low	82 Å²	82	80.2 Å²	80.2	50%	0.497	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	97.2	-179.8	179.6	0	0	0	0	109	R294 V303	V292-R294 PolarHBondContact O-N 2.83Å; V292-V303 HydrophobicContact CB-CB 4.3Å; V292-V303 PolarHBondContact N-O 2.95Å; V292-V303 VanDerWaalsContact N-O 3.07Å; V292-V303 PolarHBondContact O-N 2.76Å
293	I	46.7	Very low	44.5	Very low	53 Å²	53	80.5 Å²	80.5	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110	171.7	-55.9	177.5	0	0	0	108.5	S291 Y300 L346 M350	S291-I293 PolarHBondContact O-N 3.2Å; I293-Y300 HydrophobicContact CG2-CD1 4.16Å; I293-L346 HydrophobicContact CD1-CB 4.09Å; I293-M350 HydrophobicContact CD1-SD 4.29Å; I293-M350 HydrophobicContact CG2-SD 3.9Å
294	R	49.5	Very low	44.9	Very low	151 Å²	151	82.3 Å²	82.3	57%	0.57	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	129.2	178.9	-168.7	175.7	-179.4	168.8	0.3	109.8	V292 V296 K301	V292-R294 PolarHBondContact O-N 2.83Å; R294-V296 HydrophobicContact CB-CG2 4.3Å; R294-V296 HydrophobicContact CG-CG2 3.87Å; R294-V296 PolarHBondContact O-N 2.96Å; R294-K301 PolarHBondContact N-O 3.38Å; R294-K301 PolarHBondContact O-N 3.08Å
295	K	56.1	Low	45.2	Very low	84 Å²	84	80.9 Å²	80.9	37%	0.365	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.5	167.3	-171.2	178.3	-179.5	176.9	0	108.9	N298 E299 Y300 E354	K295-N298 WeakPolarHBondContact CE-OD1 3.27Å; K295-N298 PolarHBondContact NZ-OD1 2.91Å; K295-E299 WeakPolarHBondContact CA-O 3.34Å; K295-Y300 HydrophobicContact CB-CD1 4.18Å; K295-Y300 HydrophobicContact CB-CE1 4.07Å; K295-Y300 HydrophobicContact CD-CE1 4.4Å; K295-Y300 HydrophobicContact CG-CE1 4.35Å; K295-E354 WeakPolarHBondContact CD-OE1 3.45Å; K295-E354 WeakPolarHBondContact CE-OE1 3.37Å; K295-E354 VanDerWaalsContact CE-OE2 3.32Å; K295-E354 WeakPolarHBondContact CE-OE2 3.13Å; K295-E354 IonicContact NZ-OE1 2.72Å; K295-E354 PolarHBondContact NZ-OE1 3.12Å; K295-E354 IonicContact NZ-OE2 2.63Å; K295-E354 PolarHBondContact NZ-OE2 2.88Å
296	V	57.9	Low	45.2	Very low	53 Å²	53	76.7 Å²	76.7	32%	0.321	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123	179.7	-176.8	0	0	0	0	108	R294 N298 E299 K301	R294-V296 HydrophobicContact CB-CG2 4.3Å; R294-V296 HydrophobicContact CG-CG2 3.87Å; R294-V296 PolarHBondContact O-N 2.96Å; V296-N298 VanDerWaalsContact C-N 3.33Å; V296-N298 PolarHBondContact O-N 3.16Å; V296-E299 PolarHBondContact N-O 3.27Å; V296-E299 PolarHBondContact O-N 3.49Å; V296-E299 VanDerWaalsContact O-O 3.1Å; V296-K301 HydrophobicContact CB-CD 4.47Å
297	N	59.9	Low	45.3	Very low	150 Å²	150	78.9 Å²	78.9	80%	0.802	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.9	178.2	-57.4	1.1	0	0	0	114	E299	N297-E299 PolarHBondContact O-N 3.41Å; N297-E299 VanDerWaalsContact O-N 3.17Å
298	N	53.1	Low	45.2	Very low	128 Å²	128	80.8 Å²	80.8	68%	0.684	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	12.4	-172.7	-72.6	-19.7	0	0	0	116.6	K295 V296	K295-N298 WeakPolarHBondContact CE-OD1 3.27Å; K295-N298 PolarHBondContact NZ-OD1 2.91Å; V296-N298 VanDerWaalsContact C-N 3.33Å; V296-N298 PolarHBondContact O-N 3.16Å
299	E	55	Low	45.1	Very low	81 Å²	81	80.7 Å²	80.7	38%	0.379	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.5	167.6	-56.7	-163.3	99.2	0	0	111.5	K295 V296 N297 K301	K295-E299 WeakPolarHBondContact CA-O 3.34Å; V296-E299 PolarHBondContact N-O 3.27Å; V296-E299 PolarHBondContact O-N 3.49Å; V296-E299 VanDerWaalsContact O-O 3.1Å; N297-E299 PolarHBondContact O-N 3.41Å; N297-E299 VanDerWaalsContact O-N 3.17Å; E299-K301 HydrophobicContact CB-CG 4.23Å; E299-K301 PolarHBondContact O-N 2.74Å; E299-K301 WeakPolarHBondContact OE2-CE 3.36Å; E299-K301 IonicContact OE2-NZ 2.7Å; E299-K301 PolarHBondContact OE2-NZ 3.05Å
300	Y	54.8	Low	45	Very low	36 Å²	36	81.1 Å²	81.1	14%	0.141	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.2	163.7	-68.1	-75.7	0	0	0	109.4	I293 K295 M350 K351 E354	I293-Y300 HydrophobicContact CG2-CD1 4.16Å; K295-Y300 HydrophobicContact CB-CD1 4.18Å; K295-Y300 HydrophobicContact CB-CE1 4.07Å; K295-Y300 HydrophobicContact CD-CE1 4.4Å; K295-Y300 HydrophobicContact CG-CE1 4.35Å; Y300-M350 HydrophobicContact CD1-CB 4.13Å; Y300-M350 HydrophobicContact CD1-CE 3.91Å; Y300-M350 HydrophobicContact CD1-SD 4.04Å; Y300-M350 HydrophobicContact CD2-CB 3.63Å; Y300-M350 HydrophobicContact CE1-CB 4.13Å; Y300-M350 HydrophobicContact CE1-CE 3.5Å; Y300-M350 VanDerWaalsContact CE1-CE 3.5Å; Y300-M350 HydrophobicContact CE1-SD 4.2Å; Y300-M350 VanDerWaalsContact CE2-C 3.46Å; Y300-M350 HydrophobicContact CE2-CB 3.62Å; Y300-M350 VanDerWaalsContact CE2-O 3.26Å; Y300-M350 WeakPolarHBondContact CE2-O 3.16Å; Y300-M350 HydrophobicContact CG-CB 3.88Å; Y300-K351 HydrophobicContact CD2-CG 3.99Å; Y300-E354 HydrophobicContact CE2-CB 4.41Å; Y300-E354 VanDerWaalsContact OH-CD 3.22Å; Y300-E354 PolarHBondContact OH-OE1 2.79Å
301	K	53.9	Low	45.2	Very low	95 Å²	95	79 Å²	79	41%	0.413	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.5	176.5	-58.6	-164	-177.3	-163.1	0	109.2	R294 V296 E299 V303	R294-K301 PolarHBondContact N-O 3.38Å; R294-K301 PolarHBondContact O-N 3.08Å; V296-K301 HydrophobicContact CB-CD 4.47Å; E299-K301 HydrophobicContact CB-CG 4.23Å; E299-K301 PolarHBondContact O-N 2.74Å; E299-K301 WeakPolarHBondContact OE2-CE 3.36Å; E299-K301 IonicContact OE2-NZ 2.7Å; E299-K301 PolarHBondContact OE2-NZ 3.05Å; K301-V303 PolarHBondContact O-N 3.06Å
302	A	49	Very low	45.2	Very low	38 Å²	38	79.7 Å²	79.7	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.1	171	0	0	0	0	0	109.8	I304 T343	A302-I304 HydrophobicContact CB-CG1 4.49Å; A302-I304 PolarHBondContact O-N 3.06Å; A302-T343 HydrophobicContact CB-CG2 3.32Å
303	V	44.7	Very low	45.4	Very low	62 Å²	62	83 Å²	83	38%	0.376	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	97.5	164.5	-175.4	0	0	0	0	106.9	V292 K301 E305	V292-V303 HydrophobicContact CB-CB 4.3Å; V292-V303 PolarHBondContact N-O 2.95Å; V292-V303 VanDerWaalsContact N-O 3.07Å; V292-V303 PolarHBondContact O-N 2.76Å; K301-V303 PolarHBondContact O-N 3.06Å; V303-E305 HydrophobicContact CG1-CB 4.19Å; V303-E305 HydrophobicContact CG1-CG 4.36Å; V303-E305 PolarHBondContact O-N 3.45Å
304	I	43.3	Very low	45.3	Very low	65 Å²	65	88.4 Å²	88.4	33%	0.333	46%	0.459	S	S	.	.			trans	-84	86.9	167.1	-61.2	-179.6	0	0	0	106.2	A302 I306 V340 T343	A302-I304 HydrophobicContact CB-CG1 4.49Å; A302-I304 PolarHBondContact O-N 3.06Å; I304-I306 HydrophobicContact CG2-CB 4.18Å; I304-I306 HydrophobicContact CG2-CD1 3.49Å; I304-I306 VanDerWaalsContact CG2-CD1 3.49Å; I304-I306 HydrophobicContact CG2-CG1 3.59Å; I304-I306 PolarHBondContact O-N 3.28Å; I304-V340 HydrophobicContact CD1-CG2 4.17Å; I304-T343 HydrophobicContact CD1-CG2 4.23Å; I304-T343 HydrophobicContact CG1-CG2 4.32Å
305	E	39.7	Very low	44.9	Very low	69 Å²	69	82.5 Å²	82.5	32%	0.322	44%	0.438	S	S	.	.			trans	-80.3	52.8	178.3	-135.1	176.2	-164.5	0	0	111	I290 V303	I290-E305 HydrophobicContact CG2-CB 3.85Å; V303-E305 HydrophobicContact CG1-CB 4.19Å; V303-E305 HydrophobicContact CG1-CG 4.36Å; V303-E305 PolarHBondContact O-N 3.45Å
306	I	36.1	Very low	44.5	Very low	63 Å²	63	82.5 Å²	82.5	32%	0.323	45%	0.447	S	S	.	.			trans	-71.3	134	165	-72.2	172.2	0	0	0	107.6	I304 E308 I336	I304-I306 HydrophobicContact CG2-CB 4.18Å; I304-I306 HydrophobicContact CG2-CD1 3.49Å; I304-I306 VanDerWaalsContact CG2-CD1 3.49Å; I304-I306 HydrophobicContact CG2-CG1 3.59Å; I304-I306 PolarHBondContact O-N 3.28Å; I306-E308 VanDerWaalsContact C-N 3.29Å; I306-E308 PolarHBondContact O-N 3.45Å; I306-I336 HydrophobicContact CD1-CG2 4.37Å
307	A	32.8	Very low	44.2	Very low	73 Å²	73	85 Å²	85	60%	0.603	46%	0.464	S	S	*	.			trans	-66.1	84.9	170.4	0	0	0	0	0	111.1	T309	A307-T309 PolarHBondContact O-N 3.34Å; A307-T309 VanDerWaalsContact O-N 3.09Å
308	E	30.5	Very low	43.9	Very low	107 Å²	107	84.3 Å²	84.3	50%	0.5	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17	174.7	-75.8	-136.3	138.1	0	0	113.6	I306 T310 K313	I306-E308 VanDerWaalsContact C-N 3.29Å; I306-E308 PolarHBondContact O-N 3.45Å; E308-T310 PolarHBondContact O-N 2.97Å; E308-K313 IonicContact OE2-NZ 3.94Å; E308-K313 PolarHBondContact OE2-NZ 2.77Å
309	T	30.5	Very low	43.5	Very low	116 Å²	116	79.5 Å²	79.5	71%	0.712	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	2	-160.6	51.3	0	0	0	0	116.5	A307	A307-T309 PolarHBondContact O-N 3.34Å; A307-T309 VanDerWaalsContact O-N 3.09Å
310	T	34.8	Very low	43.1	Very low	71 Å²	71	82.8 Å²	82.8	44%	0.436	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	-48.6	175.4	48.9	0	0	0	0	116	E308 T312	E308-T310 PolarHBondContact O-N 2.97Å; T310-T312 PolarHBondContact O-N 3.18Å
311	C	37.7	Very low	42.6	Very low	31 Å²	31	81.1 Å²	81.1	21%	0.209	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-21.1	-159.2	-71.6	0	0	0	0	116.3	M315	C311-M315 HydrophobicContact CB-SD 4.2Å; C311-M315 VanDerWaalsContact O-SD 3.35Å
312	T	41.8	Very low	41.9	Very low	65 Å²	65	88.4 Å²	88.4	40%	0.399	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-51.4	-173	52.4	0	0	0	0	112.6	T310 K329	T310-T312 PolarHBondContact O-N 3.18Å; T312-K329 WeakPolarHBondContact O-CE 3.47Å; T312-K329 PolarHBondContact O-NZ 3.1Å
313	K	44.8	Very low	41.3	Very low	151 Å²	151	91.5 Å²	91.5	66%	0.657	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-42	-169	-71	160.9	176.2	160.9	0	113.4	E308	E308-K313 IonicContact OE2-NZ 3.94Å; E308-K313 PolarHBondContact OE2-NZ 2.77Å
314	Q	45.1	Very low	41.2	Very low	168 Å²	168	90.7 Å²	90.7	79%	0.785	47%	0.468	S	S	*	.	S	Bend	trans	-99.8	-16.9	-172.6	-70.4	-174.9	-7.1	0	0	116.6	P316	Q314-P316 VanDerWaalsContact O-CD 3.31Å; Q314-P316 WeakPolarHBondContact O-CD 3.46Å
315	M	41.6	Very low	41.3	Very low	27 Å²	27	94.1 Å²	94.1	13%	0.133	49%	0.487	C	S	.	.			trans	-67	125.2	-174.4	-76.3	-173.9	68	0	0	113.6	C311 A319 C321 K329	C311-M315 HydrophobicContact CB-SD 4.2Å; C311-M315 VanDerWaalsContact O-SD 3.35Å; M315-A319 HydrophobicContact CB-CB 4.33Å; M315-A319 HydrophobicContact CE-CB 3.64Å; M315-A319 WeakPolarHBondContact CE-O 3.49Å; M315-C321 HydrophobicContact CE-CB 4.26Å; M315-K329 HydrophobicContact CB-CD 4.39Å; M315-K329 PolarHBondContact O-NZ 3.41Å
316	P	47.3	Very low	41.5	Very low	83 Å²	83	92.1 Å²	92.1	54%	0.539	49%	0.485	S	S	.	.			trans	-56.7	157.5	167.4	-26	34.8	0	0	0	113.1	Q314 N318 A319	Q314-P316 VanDerWaalsContact O-CD 3.31Å; Q314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-N318 PolarHBondContact O-N 3.1Å; P316-N318 VanDerWaalsContact O-N 3.13Å; P316-A319 HydrophobicContact CB-CB 4.3Å; P316-A319 HydrophobicContact CG-CB 4.43Å; P316-A319 WeakPolarHBondContact O-CB 3.39Å; P316-A319 PolarHBondContact O-N 3.01Å
317	P	51.9	Low	42.1	Very low	105 Å²	105	90.1 Å²	90.1	68%	0.682	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.8	-176.2	22.3	-33.6	0	0	0	114.2
318	N	53	Low	43.1	Very low	137 Å²	137	90.5 Å²	90.5	73%	0.733	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	1.1	-178.9	-62.6	-6.5	0	0	0	113.4	P316	P316-N318 PolarHBondContact O-N 3.1Å; P316-N318 VanDerWaalsContact O-N 3.13Å
319	A	45.2	Very low	43.7	Very low	27 Å²	27	89.1 Å²	89.1	22%	0.223	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-76.1	137.6	-178.6	0	0	0	0	0	111.7	M315 P316	M315-A319 HydrophobicContact CB-CB 4.33Å; M315-A319 HydrophobicContact CE-CB 3.64Å; M315-A319 WeakPolarHBondContact CE-O 3.49Å; P316-A319 HydrophobicContact CB-CB 4.3Å; P316-A319 HydrophobicContact CG-CB 4.43Å; P316-A319 WeakPolarHBondContact O-CB 3.39Å; P316-A319 PolarHBondContact O-N 3.01Å
320	K	47.1	Very low	44.7	Very low	149 Å²	149	94 Å²	94	65%	0.648	47%	0.465	S	S	*	.	B	Isolated β-bridge	trans	-91.7	133.8	176.8	-70.2	-167.5	174.5	-174.3	0	110.5	R322 G326	K320-R322 PolarHBondContact O-N 3.21Å; K320-G326 WeakPolarHBondContact CB-O 3.48Å; K320-G326 WeakPolarHBondContact CD-O 3.47Å; K320-G326 VanDerWaalsContact CG-O 3.28Å; K320-G326 WeakPolarHBondContact CG-O 3.42Å
321	C	43.2	Very low	45.4	Very low	2 Å²	2	96 Å²	96	1%	0.014	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-73.7	123.5	-178.6	-173.7	0	0	0	0	111.2	M315 F323 F324 G326 A327	M315-C321 HydrophobicContact CE-CB 4.26Å; C321-F323 VanDerWaalsContact C-N 3.28Å; C321-F323 PolarHBondContact O-N 3.29Å; C321-F324 HydrophobicContact CB-CB 4.17Å; C321-F324 PolarHBondContact SG-N 3.46Å; C321-F324 VanDerWaalsContact SG-N 3.44Å; C321-G326 WeakPolarHBondContact O-CA 3.44Å; C321-G326 PolarHBondContact O-N 3.35Å; C321-A327 WeakPolarHBondContact CB-O 3.45Å; C321-A327 PolarHBondContact N-O 3.24Å
322	R	40.5	Very low	45.7	Very low	247 Å²	247	95.1 Å²	95.1	93%	0.932	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.3	174.9	-92.2	-172.1	174.2	177.9	-1.3	113.6	K320	K320-R322 PolarHBondContact O-N 3.21Å
323	F	36.7	Very low	45.8	Very low	104 Å²	104	101.3 Å²	101.3	46%	0.456	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-64.7	174.5	-64.6	-88.7	0	0	0	110.1	M283 C321 N325	M283-F323 VanDerWaalsContact CE-C 3.44Å; M283-F323 HydrophobicContact CE-CB 4.32Å; M283-F323 WeakPolarHBondContact CE-O 3.36Å; M283-F323 VanDerWaalsContact SD-C 3.51Å; M283-F323 HydrophobicContact SD-CB 3.84Å; M283-F323 HydrophobicContact SD-CD1 4.37Å; C321-F323 VanDerWaalsContact C-N 3.28Å; C321-F323 PolarHBondContact O-N 3.29Å; F323-N325 PolarHBondContact O-N 3.02Å
324	F	41.2	Very low	46	Very low	45 Å²	45	98.9 Å²	98.9	20%	0.197	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	48.9	-177	-68.8	-82.1	0	0	0	114.5	M283 L287 C321 G326 A327 C332 A335 I336	M283-F324 HydrophobicContact CE-CD1 4.14Å; M283-F324 HydrophobicContact CE-CG 4.39Å; L287-F324 HydrophobicContact CD1-CD1 4.37Å; L287-F324 HydrophobicContact CD1-CE1 3.52Å; L287-F324 HydrophobicContact CD1-CE2 4.31Å; L287-F324 HydrophobicContact CD1-CZ 3.5Å; L287-F324 VanDerWaalsContact CD1-CZ 3.5Å; C321-F324 HydrophobicContact CB-CB 4.17Å; C321-F324 PolarHBondContact SG-N 3.46Å; C321-F324 VanDerWaalsContact SG-N 3.44Å; F324-G326 PolarHBondContact O-N 3.18Å; F324-A327 HydrophobicContact CB-CB 3.91Å; F324-A327 WeakPolarHBondContact O-CB 3.09Å; F324-A327 PolarHBondContact O-N 3.29Å; F324-C332 HydrophobicContact CD2-CB 4.15Å; F324-C332 HydrophobicContact CE2-CB 4.4Å; F324-A335 HydrophobicContact CE1-CB 4.21Å; F324-I336 HydrophobicContact CZ-CG1 4.49Å
325	N	45.8	Very low	46.1	Very low	136 Å²	136	93.3 Å²	93.3	73%	0.727	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	39.9	171.2	-154.9	7.8	0	0	0	114.7	F323	F323-N325 PolarHBondContact O-N 3.02Å
326	G	43.4	Very low	46.3	Very low	27 Å²	27	94.4 Å²	94.4	28%	0.278	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	7.7	179.4	0	0	0	0	0	116.6	K320 C321 F324	K320-G326 WeakPolarHBondContact CB-O 3.48Å; K320-G326 WeakPolarHBondContact CD-O 3.47Å; K320-G326 VanDerWaalsContact CG-O 3.28Å; K320-G326 WeakPolarHBondContact CG-O 3.42Å; C321-G326 WeakPolarHBondContact O-CA 3.44Å; C321-G326 PolarHBondContact O-N 3.35Å; F324-G326 PolarHBondContact O-N 3.18Å
327	A	49.9	Very low	46.4	Very low	21 Å²	21	96.6 Å²	96.6	17%	0.174	47%	0.468	C	S	.	.			trans	-61.4	151.1	178.9	0	0	0	0	0	113.5	C321 F324 Q331	C321-A327 WeakPolarHBondContact CB-O 3.45Å; C321-A327 PolarHBondContact N-O 3.24Å; F324-A327 HydrophobicContact CB-CB 3.91Å; F324-A327 WeakPolarHBondContact O-CB 3.09Å; F324-A327 PolarHBondContact O-N 3.29Å; A327-Q331 HydrophobicContact CB-CB 4.05Å
328	H	53.4	Low	46.4	Very low	82 Å²	82	95.1 Å²	95.1	38%	0.38	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-73.7	157.7	174.9	-88.4	-91.9	0	0	0	112.4	R330 Q331 C332	H328-R330 PolarHBondContact O-N 2.89Å; H328-Q331 WeakPolarHBondContact O-CB 3.2Å; H328-Q331 PolarHBondContact O-N 3.13Å; H328-C332 PolarHBondContact O-N 3.12Å; H328-C332 VanDerWaalsContact O-N 3.11Å; H328-C332 PolarHBondContact O-SG 2.95Å; H328-C332 VanDerWaalsContact O-SG 3.39Å
329	K	43.4	Very low	46.1	Very low	77 Å²	77	90.4 Å²	90.4	34%	0.335	44%	0.437	S	S	.	.	H	α-helix	trans	-48.6	-35.2	175.2	-165.2	170.5	-169.8	168.8	0	114.1	T312 M315 R333	T312-K329 WeakPolarHBondContact O-CE 3.47Å; T312-K329 PolarHBondContact O-NZ 3.1Å; M315-K329 HydrophobicContact CB-CD 4.39Å; M315-K329 PolarHBondContact O-NZ 3.41Å; K329-R333 PolarHBondContact O-N 2.99Å
330	R	51.6	Low	46.3	Very low	219 Å²	219	91 Å²	91	83%	0.826	44%	0.437	S	S	*	.	H	α-helix	trans	-67.1	-44.2	174.2	-71	-174.6	178.2	-178.3	-0.5	112.9	H328 R333 V334	H328-R330 PolarHBondContact O-N 2.89Å; R330-R333 PolarHBondContact O-N 3.42Å; R330-V334 WeakPolarHBondContact O-CG2 3.43Å; R330-V334 PolarHBondContact O-N 3.23Å
331	Q	49.6	Very low	46.8	Very low	114 Å²	114	91.6 Å²	91.6	53%	0.533	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-39.5	-179.3	-69.3	167.5	-55.3	0	0	111.6	A327 H328 R333 V334 A335	A327-Q331 HydrophobicContact CB-CB 4.05Å; H328-Q331 WeakPolarHBondContact O-CB 3.2Å; H328-Q331 PolarHBondContact O-N 3.13Å; Q331-R333 VanDerWaalsContact C-N 3.3Å; Q331-R333 PolarHBondContact O-N 3.16Å; Q331-V334 PolarHBondContact O-N 3.3Å; Q331-A335 PolarHBondContact O-N 2.8Å
332	C	42.7	Very low	47.3	Very low	12 Å²	12	97.5 Å²	97.5	8%	0.081	46%	0.462	C	S	.	.	H	α-helix	trans	-59.9	-40.4	175.4	-56.4	0	0	0	0	111.7	F324 H328 A335 I336	F324-C332 HydrophobicContact CD2-CB 4.15Å; F324-C332 HydrophobicContact CE2-CB 4.4Å; H328-C332 PolarHBondContact O-N 3.12Å; H328-C332 VanDerWaalsContact O-N 3.11Å; H328-C332 PolarHBondContact O-SG 2.95Å; H328-C332 VanDerWaalsContact O-SG 3.39Å; C332-A335 PolarHBondContact O-N 2.86Å; C332-I336 WeakPolarHBondContact O-CD1 3.32Å; C332-I336 WeakPolarHBondContact O-CG1 3.29Å; C332-I336 PolarHBondContact O-N 3.1Å
333	R	43.7	Very low	47.6	Very low	194 Å²	194	86.4 Å²	86.4	73%	0.732	42%	0.422	S	S	*	.	H	α-helix	trans	-63.9	-46.8	177	-161.9	-179.9	-168	-172.9	4	111.8	K329 R330 Q331 A335 I336 E337	K329-R333 PolarHBondContact O-N 2.99Å; R330-R333 PolarHBondContact O-N 3.42Å; Q331-R333 VanDerWaalsContact C-N 3.3Å; Q331-R333 PolarHBondContact O-N 3.16Å; R333-A335 VanDerWaalsContact C-N 3.26Å; R333-A335 PolarHBondContact O-N 3.47Å; R333-I336 PolarHBondContact O-N 2.72Å; R333-E337 PolarHBondContact O-N 2.78Å
334	V	48.9	Very low	48.6	Very low	101 Å²	101	89.3 Å²	89.3	61%	0.612	43%	0.43	S	S	*	.	H	α-helix	trans	-64	-28.8	177.7	173.4	0	0	0	0	112.5	R330 Q331 P338	R330-V334 WeakPolarHBondContact O-CG2 3.43Å; R330-V334 PolarHBondContact O-N 3.23Å; Q331-V334 PolarHBondContact O-N 3.3Å; V334-P338 WeakPolarHBondContact O-CD 3.28Å
335	A	48.3	Very low	49.5	Very low	50 Å²	50	91.6 Å²	91.6	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-75.5	-30.2	176	0	0	0	0	0	113.8	F324 Q331 C332 R333	F324-A335 HydrophobicContact CE1-CB 4.21Å; Q331-A335 PolarHBondContact O-N 2.8Å; C332-A335 PolarHBondContact O-N 2.86Å; R333-A335 VanDerWaalsContact C-N 3.26Å; R333-A335 PolarHBondContact O-N 3.47Å
336	I	44.8	Very low	49.8	Very low	50 Å²	50	87.3 Å²	87.3	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-83.6	-35.8	-177	-67.8	164.9	0	0	0	111.8	I306 F324 C332 R333 S339 V340	I306-I336 HydrophobicContact CD1-CG2 4.37Å; F324-I336 HydrophobicContact CZ-CG1 4.49Å; C332-I336 WeakPolarHBondContact O-CD1 3.32Å; C332-I336 WeakPolarHBondContact O-CG1 3.29Å; C332-I336 PolarHBondContact O-N 3.1Å; R333-I336 PolarHBondContact O-N 2.72Å; I336-S339 PolarHBondContact O-N 2.9Å; I336-S339 VanDerWaalsContact O-N 3.15Å; I336-V340 HydrophobicContact CG2-CG2 3.95Å; I336-V340 PolarHBondContact O-N 3.23Å; I336-V340 VanDerWaalsContact O-N 3.13Å
337	E	50.5	Low	50.3	Low	129 Å²	129	86.8 Å²	86.8	60%	0.603	41%	0.411	S	S	*	.	H	α-helix	trans	-59.5	-39.7	-173	-171.4	160.5	-155.1	0	0	115	R333 S339 V340 K341	R333-E337 PolarHBondContact O-N 2.78Å; E337-S339 PolarHBondContact O-N 3.39Å; E337-V340 PolarHBondContact O-N 3.46Å; E337-K341 PolarHBondContact O-N 3.04Å
338	P	51.8	Low	50.9	Low	75 Å²	75	91.7 Å²	91.7	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173	-24.4	35	0	0	0	113.6	V334 K341 R342	V334-P338 WeakPolarHBondContact O-CD 3.28Å; P338-K341 PolarHBondContact O-N 3.33Å; P338-R342 PolarHBondContact O-N 3.44Å
339	S	45.5	Very low	51.2	Low	38 Å²	38	90.8 Å²	90.8	27%	0.266	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-46.9	178.6	-57.4	0	0	0	0	110.8	I336 E337 K341 R342 T343	I336-S339 PolarHBondContact O-N 2.9Å; I336-S339 VanDerWaalsContact O-N 3.15Å; E337-S339 PolarHBondContact O-N 3.39Å; S339-K341 VanDerWaalsContact C-N 3.28Å; S339-K341 PolarHBondContact O-N 3.05Å; S339-R342 PolarHBondContact O-N 2.93Å; S339-T343 PolarHBondContact O-N 3.24Å; S339-T343 PolarHBondContact O-OG1 3.13Å
340	V	50.5	Low	51.6	Low	39 Å²	39	89.1 Å²	89.1	24%	0.236	42%	0.42	C	S	.	.	H	α-helix	trans	-58	-41.1	175.3	176.2	0	0	0	0	111.4	I304 I336 E337 R344	I304-V340 HydrophobicContact CD1-CG2 4.17Å; I336-V340 HydrophobicContact CG2-CG2 3.95Å; I336-V340 PolarHBondContact O-N 3.23Å; I336-V340 VanDerWaalsContact O-N 3.13Å; E337-V340 PolarHBondContact O-N 3.46Å; V340-R344 PolarHBondContact O-N 2.93Å
341	K	57.8	Low	52.1	Low	162 Å²	162	83 Å²	83	70%	0.704	40%	0.4	S	S	*	.	H	α-helix	trans	-64.8	-44.1	177	-169.8	175.4	-178.9	179.8	0	112.2	E337 P338 S339 R344 M345	E337-K341 PolarHBondContact O-N 3.04Å; P338-K341 PolarHBondContact O-N 3.33Å; S339-K341 VanDerWaalsContact C-N 3.28Å; S339-K341 PolarHBondContact O-N 3.05Å; K341-R344 PolarHBondContact O-N 3.06Å; K341-M345 PolarHBondContact O-N 3.45Å
342	R	52.6	Low	52.6	Low	125 Å²	125	82.2 Å²	82.2	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-39	178.2	-168.7	178.6	-68.7	156.2	-0.3	112.1	Y288 P338 S339 R344 M345 L346	Y288-R342 PolarHBondContact OH-NH1 3.36Å; P338-R342 PolarHBondContact O-N 3.44Å; S339-R342 PolarHBondContact O-N 2.93Å; R342-R344 PolarHBondContact O-N 3.37Å; R342-M345 WeakPolarHBondContact O-CB 3.28Å; R342-M345 PolarHBondContact O-N 3.33Å; R342-L346 PolarHBondContact O-N 3.04Å
343	T	47.6	Very low	52.9	Low	14 Å²	14	82.6 Å²	82.6	9%	0.086	40%	0.397	C	S	.	.	H	α-helix	trans	-66	-36.3	178.1	-57	0	0	0	0	112.7	A302 I304 S339 L346 C347	A302-T343 HydrophobicContact CB-CG2 3.32Å; I304-T343 HydrophobicContact CD1-CG2 4.23Å; I304-T343 HydrophobicContact CG1-CG2 4.32Å; S339-T343 PolarHBondContact O-N 3.24Å; S339-T343 PolarHBondContact O-OG1 3.13Å; T343-L346 PolarHBondContact O-N 3.45Å; T343-C347 PolarHBondContact O-N 3.39Å
344	R	58.4	Low	53.2	Low	165 Å²	165	76.3 Å²	76.3	62%	0.623	38%	0.375	S	S	*	.	H	α-helix	trans	-63.6	-46.4	173.3	-71.7	-177.7	-168.5	150.9	5.3	112.3	V340 K341 R342 L346 C347 E348	V340-R344 PolarHBondContact O-N 2.93Å; K341-R344 PolarHBondContact O-N 3.06Å; R342-R344 PolarHBondContact O-N 3.37Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 2.85Å; R344-C347 WeakPolarHBondContact O-CB 3.46Å; R344-C347 PolarHBondContact O-N 2.86Å; R344-E348 PolarHBondContact O-N 2.8Å
345	M	59.7	Low	53.7	Low	93 Å²	93	77.9 Å²	77.9	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-55.7	-42.2	178.7	-171.8	-171.6	81.8	0	0	111.7	K341 R342 E348 Q349	K341-M345 PolarHBondContact O-N 3.45Å; R342-M345 WeakPolarHBondContact O-CB 3.28Å; R342-M345 PolarHBondContact O-N 3.33Å; M345-E348 PolarHBondContact O-N 2.91Å; M345-Q349 WeakPolarHBondContact O-CG 3.5Å; M345-Q349 PolarHBondContact O-N 3.37Å
346	L	50.9	Low	53.7	Low	47 Å²	47	82.9 Å²	82.9	25%	0.246	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-42.8	174.6	-71.3	166.7	0	0	0	112.3	I293 R342 T343 R344 E348 Q349 M350	I293-L346 HydrophobicContact CD1-CB 4.09Å; R342-L346 PolarHBondContact O-N 3.04Å; T343-L346 PolarHBondContact O-N 3.45Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 2.85Å; L346-E348 VanDerWaalsContact C-N 3.3Å; L346-E348 PolarHBondContact O-N 2.82Å; L346-Q349 PolarHBondContact O-N 3Å; L346-M350 WeakPolarHBondContact O-CB 3.2Å; L346-M350 VanDerWaalsContact O-CG 3.27Å; L346-M350 WeakPolarHBondContact O-CG 2.62Å; L346-M350 PolarHBondContact O-N 3.29Å
347	C	54.8	Low	53.6	Low	15 Å²	15	82.5 Å²	82.5	10%	0.101	39%	0.392	C	S	.	.	H	α-helix	trans	-64.4	-32.5	175.7	-68.7	0	0	0	0	113.2	T343 R344 K351	T343-C347 PolarHBondContact O-N 3.39Å; R344-C347 WeakPolarHBondContact O-CB 3.46Å; R344-C347 PolarHBondContact O-N 2.86Å; C347-K351 WeakPolarHBondContact O-CG 3.07Å; C347-K351 PolarHBondContact O-N 3.46Å
348	E	63.2	Low	53.3	Low	124 Å²	124	82.7 Å²	82.7	58%	0.579	40%	0.403	S	S	*	.	H	α-helix	trans	-71.5	-47.1	174.8	-71.1	165.5	170.2	0	0	111.2	R344 M345 L346 M350 K351 E352	R344-E348 PolarHBondContact O-N 2.8Å; M345-E348 PolarHBondContact O-N 2.91Å; L346-E348 VanDerWaalsContact C-N 3.3Å; L346-E348 PolarHBondContact O-N 2.82Å; E348-M350 VanDerWaalsContact C-N 3.31Å; E348-M350 PolarHBondContact O-N 3.02Å; E348-K351 WeakPolarHBondContact O-CB 3.48Å; E348-K351 PolarHBondContact O-N 2.9Å; E348-K351 VanDerWaalsContact O-N 3.08Å; E348-E352 PolarHBondContact O-N 3.1Å
349	Q	59	Low	52.6	Low	64 Å²	64	84.2 Å²	84.2	30%	0.299	42%	0.415	S	S	.	.	H	α-helix	trans	-57.3	-42.3	174.4	-72.4	172.8	-49.6	0	0	112	M345 L346 K351 E352 I353	M345-Q349 WeakPolarHBondContact O-CG 3.5Å; M345-Q349 PolarHBondContact O-N 3.37Å; L346-Q349 PolarHBondContact O-N 3Å; Q349-K351 VanDerWaalsContact C-N 3.34Å; Q349-K351 PolarHBondContact O-N 3.26Å; Q349-E352 PolarHBondContact O-N 3.08Å; Q349-I353 WeakPolarHBondContact O-CB 3.37Å; Q349-I353 WeakPolarHBondContact O-CD1 3.31Å; Q349-I353 WeakPolarHBondContact O-CG1 3.44Å; Q349-I353 PolarHBondContact O-N 2.98Å
350	M	50.9	Low	52.4	Low	42 Å²	42	83.3 Å²	83.3	21%	0.207	41%	0.409	C	S	.	.	H	α-helix	trans	-64.9	-33.5	176.5	-69.4	-176.4	87.5	0	0	112.9	I293 Y300 L346 E348 E354 L372	I293-M350 HydrophobicContact CD1-SD 4.29Å; I293-M350 HydrophobicContact CG2-SD 3.9Å; Y300-M350 HydrophobicContact CD1-CB 4.13Å; Y300-M350 HydrophobicContact CD1-CE 3.91Å; Y300-M350 HydrophobicContact CD1-SD 4.04Å; Y300-M350 HydrophobicContact CD2-CB 3.63Å; Y300-M350 HydrophobicContact CE1-CB 4.13Å; Y300-M350 HydrophobicContact CE1-CE 3.5Å; Y300-M350 VanDerWaalsContact CE1-CE 3.5Å; Y300-M350 HydrophobicContact CE1-SD 4.2Å; Y300-M350 VanDerWaalsContact CE2-C 3.46Å; Y300-M350 HydrophobicContact CE2-CB 3.62Å; Y300-M350 VanDerWaalsContact CE2-O 3.26Å; Y300-M350 WeakPolarHBondContact CE2-O 3.16Å; Y300-M350 HydrophobicContact CG-CB 3.88Å; L346-M350 WeakPolarHBondContact O-CB 3.2Å; L346-M350 VanDerWaalsContact O-CG 3.27Å; L346-M350 WeakPolarHBondContact O-CG 2.62Å; L346-M350 PolarHBondContact O-N 3.29Å; E348-M350 VanDerWaalsContact C-N 3.31Å; E348-M350 PolarHBondContact O-N 3.02Å; M350-E354 PolarHBondContact O-N 2.85Å; M350-E354 VanDerWaalsContact O-N 3.13Å; M350-L372 HydrophobicContact CG-CD2 3.84Å
351	K	62.8	Low	51.9	Low	91 Å²	91	85 Å²	85	40%	0.396	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-40.9	173.8	-76.6	-177.7	176.7	-171.5	0	112.2	Y300 C347 E348 Q349	Y300-K351 HydrophobicContact CD2-CG 3.99Å; C347-K351 WeakPolarHBondContact O-CG 3.07Å; C347-K351 PolarHBondContact O-N 3.46Å; E348-K351 WeakPolarHBondContact O-CB 3.48Å; E348-K351 PolarHBondContact O-N 2.9Å; E348-K351 VanDerWaalsContact O-N 3.08Å; Q349-K351 VanDerWaalsContact C-N 3.34Å; Q349-K351 PolarHBondContact O-N 3.26Å
352	E	59.8	Low	50.8	Low	97 Å²	97	83.4 Å²	83.4	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-70.5	-43.2	176.9	-61.9	-48.8	127.5	0	0	112.2	E348 Q349 E354 K355 M356	E348-E352 PolarHBondContact O-N 3.1Å; Q349-E352 PolarHBondContact O-N 3.08Å; E352-E354 PolarHBondContact O-N 2.92Å; E352-K355 WeakPolarHBondContact O-CB 2.59Å; E352-K355 PolarHBondContact O-N 3.49Å; E352-K355 VanDerWaalsContact O-N 3.16Å; E352-K355 WeakPolarHBondContact OE1-CE 3.36Å; E352-K355 IonicContact OE1-NZ 3.89Å; E352-K355 PolarHBondContact OE1-NZ 3.35Å; E352-K355 WeakPolarHBondContact OE2-CD 3.49Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 2.78Å; E352-K355 PolarHBondContact OE2-NZ 2.94Å; E352-M356 WeakPolarHBondContact O-CG 3.45Å; E352-M356 PolarHBondContact O-N 3.32Å
353	I	49.9	Very low	50.1	Low	19 Å²	19	84.9 Å²	84.9	10%	0.097	43%	0.429	C	S	.	.	H	α-helix	trans	-52.9	-41.2	173.9	-76.3	159.8	0	0	0	111.4	Q349 M356 S357 I368 W371 L372	Q349-I353 WeakPolarHBondContact O-CB 3.37Å; Q349-I353 WeakPolarHBondContact O-CD1 3.31Å; Q349-I353 WeakPolarHBondContact O-CG1 3.44Å; Q349-I353 PolarHBondContact O-N 2.98Å; I353-M356 PolarHBondContact O-N 3.3Å; I353-S357 WeakPolarHBondContact O-CB 3.27Å; I353-S357 PolarHBondContact O-N 2.98Å; I353-I368 HydrophobicContact CD1-CG2 4.36Å; I353-I368 HydrophobicContact CG1-CG2 4.46Å; I353-I368 HydrophobicContact CG2-CG2 3.47Å; I353-I368 VanDerWaalsContact CG2-CG2 3.47Å; I353-W371 HydrophobicContact CD1-CE3 3.97Å; I353-W371 HydrophobicContact CD1-CZ3 4.05Å; I353-W371 HydrophobicContact CG1-CE3 4.24Å; I353-W371 HydrophobicContact CG1-CZ3 4.06Å; I353-L372 HydrophobicContact CD1-CD1 4.01Å; I353-L372 HydrophobicContact CD1-CD2 3.62Å; I353-L372 HydrophobicContact CD1-CG 3.66Å
354	E	50.4	Low	49.7	Very low	62 Å²	62	88.4 Å²	88.4	29%	0.29	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-38.9	-177.4	-135.9	172.6	-142.6	0	0	112.2	K295 Y300 M350 E352 M356 S357	K295-E354 WeakPolarHBondContact CD-OE1 3.45Å; K295-E354 WeakPolarHBondContact CE-OE1 3.37Å; K295-E354 VanDerWaalsContact CE-OE2 3.32Å; K295-E354 WeakPolarHBondContact CE-OE2 3.13Å; K295-E354 IonicContact NZ-OE1 2.72Å; K295-E354 PolarHBondContact NZ-OE1 3.12Å; K295-E354 IonicContact NZ-OE2 2.63Å; K295-E354 PolarHBondContact NZ-OE2 2.88Å; Y300-E354 HydrophobicContact CE2-CB 4.41Å; Y300-E354 VanDerWaalsContact OH-CD 3.22Å; Y300-E354 PolarHBondContact OH-OE1 2.79Å; M350-E354 PolarHBondContact O-N 2.85Å; M350-E354 VanDerWaalsContact O-N 3.13Å; E352-E354 PolarHBondContact O-N 2.92Å; E354-M356 VanDerWaalsContact C-N 3.28Å; E354-M356 PolarHBondContact O-N 3.31Å; E354-S357 PolarHBondContact O-N 3.42Å; E354-S357 PolarHBondContact O-OG 3.14Å
355	K	59.3	Low	48.9	Very low	135 Å²	135	86.2 Å²	86.2	59%	0.587	44%	0.44	S	S	*	.	H	α-helix	trans	-59.9	-36	173.6	-59.9	176.9	-162.2	166	0	112.7	E352 S357	E352-K355 WeakPolarHBondContact O-CB 2.59Å; E352-K355 PolarHBondContact O-N 3.49Å; E352-K355 VanDerWaalsContact O-N 3.16Å; E352-K355 WeakPolarHBondContact OE1-CE 3.36Å; E352-K355 IonicContact OE1-NZ 3.89Å; E352-K355 PolarHBondContact OE1-NZ 3.35Å; E352-K355 WeakPolarHBondContact OE2-CD 3.49Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 2.78Å; E352-K355 PolarHBondContact OE2-NZ 2.94Å; K355-S357 VanDerWaalsContact C-N 3.3Å; K355-S357 PolarHBondContact O-N 3.12Å
356	M	48.6	Very low	47.9	Very low	155 Å²	155	88.5 Å²	88.5	76%	0.764	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.7	-177.1	-60.4	179.2	84.6	0	0	113.7	E352 I353 E354	E352-M356 WeakPolarHBondContact O-CG 3.45Å; E352-M356 PolarHBondContact O-N 3.32Å; I353-M356 PolarHBondContact O-N 3.3Å; E354-M356 VanDerWaalsContact C-N 3.28Å; E354-M356 PolarHBondContact O-N 3.31Å
357	S	42	Very low	47.3	Very low	41 Å²	41	89.5 Å²	89.5	29%	0.287	45%	0.448	S	S	.	.			trans	-96.2	3.3	-160.6	71.4	0	0	0	0	116.8	I353 E354 K355 S359 S360	I353-S357 WeakPolarHBondContact O-CB 3.27Å; I353-S357 PolarHBondContact O-N 2.98Å; E354-S357 PolarHBondContact O-N 3.42Å; E354-S357 PolarHBondContact O-OG 3.14Å; K355-S357 VanDerWaalsContact C-N 3.3Å; K355-S357 PolarHBondContact O-N 3.12Å; S357-S359 PolarHBondContact O-N 3.12Å; S357-S360 PolarHBondContact O-N 3.29Å; S357-S360 PolarHBondContact O-OG 2.78Å
358	T	43.2	Very low	46.6	Very low	134 Å²	134	91 Å²	91	82%	0.822	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.6	-166.9	51.3	0	0	0	0	116.9
359	S	38	Very low	45.3	Very low	107 Å²	107	92.4 Å²	92.4	75%	0.748	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	12.4	-178.2	58.5	0	0	0	0	114.6	S357	S357-S359 PolarHBondContact O-N 3.12Å
360	S	42.1	Very low	44.3	Very low	18 Å²	18	95.9 Å²	95.9	13%	0.126	47%	0.469	C	S	.	.			trans	-85.2	129.6	-159.1	60.2	0	0	0	0	116.7	S357 K365	S357-S360 PolarHBondContact O-N 3.29Å; S357-S360 PolarHBondContact O-OG 2.78Å; S360-K365 WeakPolarHBondContact O-CE 3.39Å; S360-K365 PolarHBondContact O-NZ 3.38Å
361	T	39	Very low	43.5	Very low	75 Å²	75	101.9 Å²	101.9	46%	0.46	49%	0.489	S	S	.	.			trans	-68.3	168.9	178.2	62.2	0	0	0	0	113.9	Y363 Q364 K365	T361-Y363 PolarHBondContact O-N 2.76Å; T361-Q364 PolarHBondContact O-N 2.92Å; T361-Q364 PolarHBondContact OG1-N 2.94Å; T361-Q364 PolarHBondContact OG1-OE1 2.86Å; T361-K365 WeakPolarHBondContact O-CG 3.44Å; T361-K365 PolarHBondContact O-N 3.08Å
362	V	35.4	Very low	42.1	Very low	128 Å²	128	99.4 Å²	99.4	78%	0.776	48%	0.48	S	S	*	.	H	α-helix	trans	-56.9	-37.7	172.8	-180	0	0	0	0	111.9	K365 Y366	V362-K365 PolarHBondContact O-N 2.95Å; V362-Y366 PolarHBondContact O-N 3.47Å
363	Y	36.7	Very low	40.9	Very low	156 Å²	156	105.4 Å²	105.4	61%	0.612	50%	0.499	S	S	*	.	H	α-helix	trans	-67.4	-43.4	176.7	-177	-95.3	0	0	0	112	T361 K365 Y366 Q367	T361-Y363 PolarHBondContact O-N 2.76Å; Y363-K365 VanDerWaalsContact C-N 3.35Å; Y363-K365 PolarHBondContact O-N 2.85Å; Y363-Y366 WeakPolarHBondContact O-CB 3.22Å; Y363-Y366 PolarHBondContact O-N 3.37Å; Y363-Y366 VanDerWaalsContact O-N 3.14Å; Y363-Q367 HydrophobicContact CD1-CG 4.17Å; Y363-Q367 HydrophobicContact CE1-CG 3.83Å; Y363-Q367 WeakPolarHBondContact O-CG 3.46Å; Y363-Q367 PolarHBondContact O-N 3.24Å; Y363-Q367 PolarHBondContact OH-NE2 3.4Å
364	Q	40.6	Very low	40.3	Very low	88 Å²	88	110 Å²	110	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-37.7	174.2	-73.7	156.5	-48.7	0	0	111.6	T361 Y366 Q367 I368	T361-Q364 PolarHBondContact O-N 2.92Å; T361-Q364 PolarHBondContact OG1-N 2.94Å; T361-Q364 PolarHBondContact OG1-OE1 2.86Å; Q364-Y366 VanDerWaalsContact C-N 3.28Å; Q364-Y366 PolarHBondContact O-N 3.33Å; Q364-Q367 PolarHBondContact O-N 2.9Å; Q364-I368 WeakPolarHBondContact O-CB 3.47Å; Q364-I368 VanDerWaalsContact O-CG1 3.26Å; Q364-I368 WeakPolarHBondContact O-CG1 3.5Å; Q364-I368 PolarHBondContact O-N 3Å
365	K	41.4	Very low	39.4	Very low	120 Å²	120	112 Å²	112	52%	0.522	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-29.6	172.2	-71.9	169.1	-179.8	165.1	0	112.9	S360 T361 V362 Y363 K369	S360-K365 WeakPolarHBondContact O-CE 3.39Å; S360-K365 PolarHBondContact O-NZ 3.38Å; T361-K365 WeakPolarHBondContact O-CG 3.44Å; T361-K365 PolarHBondContact O-N 3.08Å; V362-K365 PolarHBondContact O-N 2.95Å; Y363-K365 VanDerWaalsContact C-N 3.35Å; Y363-K365 PolarHBondContact O-N 2.85Å; K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 WeakPolarHBondContact O-CG 3.44Å; K365-K369 PolarHBondContact O-N 3.4Å; K365-K369 VanDerWaalsContact O-N 3.15Å
366	Y	38.8	Very low	38.2	Very low	141 Å²	141	112.7 Å²	112.7	55%	0.553	55%	0.551	S	S	*	*	H	α-helix	trans	-72.7	-44.6	170.8	176.4	-97.5	0	0	0	111.9	V362 Y363 Q364 I368 K369 R370	V362-Y366 PolarHBondContact O-N 3.47Å; Y363-Y366 WeakPolarHBondContact O-CB 3.22Å; Y363-Y366 PolarHBondContact O-N 3.37Å; Y363-Y366 VanDerWaalsContact O-N 3.14Å; Q364-Y366 VanDerWaalsContact C-N 3.28Å; Q364-Y366 PolarHBondContact O-N 3.33Å; Y366-I368 PolarHBondContact O-N 3.07Å; Y366-K369 WeakPolarHBondContact O-CB 3.18Å; Y366-K369 PolarHBondContact O-N 3.5Å; Y366-R370 PolarHBondContact O-N 3.19Å
367	Q	37.8	Very low	37.7	Very low	67 Å²	67	114.8 Å²	114.8	31%	0.313	56%	0.556	S	S	.	*	H	α-helix	trans	-62.4	-41.9	175	-67.1	-72.1	23.2	0	0	111.9	Y363 Q364 K369 R370 W371	Y363-Q367 HydrophobicContact CD1-CG 4.17Å; Y363-Q367 HydrophobicContact CE1-CG 3.83Å; Y363-Q367 WeakPolarHBondContact O-CG 3.46Å; Y363-Q367 PolarHBondContact O-N 3.24Å; Y363-Q367 PolarHBondContact OH-NE2 3.4Å; Q364-Q367 PolarHBondContact O-N 2.9Å; Q367-K369 VanDerWaalsContact C-N 3.33Å; Q367-K369 PolarHBondContact O-N 3.49Å; Q367-R370 WeakPolarHBondContact O-CB 3.31Å; Q367-R370 PolarHBondContact O-N 3.21Å; Q367-W371 WeakPolarHBondContact O-CB 3.46Å; Q367-W371 PolarHBondContact O-N 3.14Å
368	I	40.9	Very low	37.3	Very low	47 Å²	47	117 Å²	117	24%	0.241	57%	0.571	C	S	.	*	H	α-helix	trans	-59.6	-42.4	172.8	-72.2	164.3	0	0	0	111.3	I353 Q364 Y366 R370 W371 L372	I353-I368 HydrophobicContact CD1-CG2 4.36Å; I353-I368 HydrophobicContact CG1-CG2 4.46Å; I353-I368 HydrophobicContact CG2-CG2 3.47Å; I353-I368 VanDerWaalsContact CG2-CG2 3.47Å; Q364-I368 WeakPolarHBondContact O-CB 3.47Å; Q364-I368 VanDerWaalsContact O-CG1 3.26Å; Q364-I368 WeakPolarHBondContact O-CG1 3.5Å; Q364-I368 PolarHBondContact O-N 3Å; Y366-I368 PolarHBondContact O-N 3.07Å; I368-R370 VanDerWaalsContact C-N 3.26Å; I368-R370 PolarHBondContact O-N 3.01Å; I368-W371 PolarHBondContact O-N 3.15Å; I368-L372 HydrophobicContact CG2-CD1 4.42Å; I368-L372 PolarHBondContact O-N 3.28Å; I368-L372 VanDerWaalsContact O-N 3.14Å
369	K	35.8	Very low	36.5	Very low	153 Å²	153	119 Å²	119	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-65.8	-25.6	174.5	-83.8	-175	173.8	-173.6	0	113.7	K365 Y366 Q367 W373	K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 WeakPolarHBondContact O-CG 3.44Å; K365-K369 PolarHBondContact O-N 3.4Å; K365-K369 VanDerWaalsContact O-N 3.15Å; Y366-K369 WeakPolarHBondContact O-CB 3.18Å; Y366-K369 PolarHBondContact O-N 3.5Å; Q367-K369 VanDerWaalsContact C-N 3.33Å; Q367-K369 PolarHBondContact O-N 3.49Å; K369-W373 VanDerWaalsContact O-CD1 3.23Å
370	R	36.5	Very low	36.1	Very low	137 Å²	137	122 Å²	122	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-78.2	-45.2	172.5	-173.4	-179.7	179.1	-175.2	0.6	111.3	Y366 Q367 I368 L372 W373	Y366-R370 PolarHBondContact O-N 3.19Å; Q367-R370 WeakPolarHBondContact O-CB 3.31Å; Q367-R370 PolarHBondContact O-N 3.21Å; I368-R370 VanDerWaalsContact C-N 3.26Å; I368-R370 PolarHBondContact O-N 3.01Å; R370-L372 PolarHBondContact O-N 2.97Å; R370-W373 PolarHBondContact O-N 3.48Å
371	W	34.8	Very low	35.3	Very low	168 Å²	168	130.8 Å²	130.8	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-60.7	-28.9	-180	-160.3	75.8	0	0	0	113.3	I353 Q367 I368 W373	I353-W371 HydrophobicContact CD1-CE3 3.97Å; I353-W371 HydrophobicContact CD1-CZ3 4.05Å; I353-W371 HydrophobicContact CG1-CE3 4.24Å; I353-W371 HydrophobicContact CG1-CZ3 4.06Å; Q367-W371 WeakPolarHBondContact O-CB 3.46Å; Q367-W371 PolarHBondContact O-N 3.14Å; I368-W371 PolarHBondContact O-N 3.15Å; W371-W373 PolarHBondContact O-N 2.98Å
372	L	33.2	Very low	34.8	Very low	39 Å²	39	133.5 Å²	133.5	20%	0.204	63%	0.631	C	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-6.9	173.7	-84.6	165	0	0	0	115.4	M350 I353 I368 R370	M350-L372 HydrophobicContact CG-CD2 3.84Å; I353-L372 HydrophobicContact CD1-CD1 4.01Å; I353-L372 HydrophobicContact CD1-CD2 3.62Å; I353-L372 HydrophobicContact CD1-CG 3.66Å; I368-L372 HydrophobicContact CG2-CD1 4.42Å; I368-L372 PolarHBondContact O-N 3.28Å; I368-L372 VanDerWaalsContact O-N 3.14Å; R370-L372 PolarHBondContact O-N 2.97Å
373	W	35.1	Very low	34.2	Very low	223 Å²	223	134.4 Å²	134.4	85%	0.845	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-7	-173	-74.6	76.6	0	0	0	115	K369 R370 W371	K369-W373 VanDerWaalsContact O-CD1 3.23Å; R370-W373 PolarHBondContact O-N 3.48Å; W371-W373 PolarHBondContact O-N 2.98Å
374	D	35.8	Very low	33.9	Very low	117 Å²	117	133.5 Å²	133.5	63%	0.626	64%	0.64	S	S	*	*			trans	-108	119.4	178.6	-100.6	-45.1	0	0	0	111.2
375	P	32.1	Very low	33.2	Very low	104 Å²	104	135.5 Å²	135.5	68%	0.675	65%	0.654	S	S	*	*			trans	-89	140.7	175.3	33.9	-32	0	0	0	112.6
376	I	33.7	Very low	32.6	Very low	149 Å²	149	136.3 Å²	136.3	76%	0.764	66%	0.663	S	S	*	*			trans	79.3	100.7	170.1	-48.7	156.9	0	0	0	115
377	F	37.9	Very low	32	Very low	198 Å²	198	136.3 Å²	136.3	87%	0.868	67%	0.673	S	S	*	*				-155.6	121.1	109.3	-111.7	-75.7	0	0	0	112
378	S	34.7	Very low	31.5	Very low	88 Å²	88	142.4 Å²	142.4	62%	0.615	70%	0.702	S	S	*	*			trans	40.5	133.2	147.5	-160.1	0	0	0	0	122.2	E380	S378-E380 PolarHBondContact OG-N 2.92Å
379	L	25.4	Very low	30.7	Very low	176 Å²	176	149 Å²	149	92%	0.921	73%	0.731	S	S	*	*			trans	-132	43	166.9	-135.5	178.2	0	0	0	110.5
380	E	31.1	Very low	30.2	Very low	171 Å²	171	150 Å²	150	80%	0.799	74%	0.742	S	S	*	*			trans	-107.7	133.5	177	-68.8	-167.6	145.4	0	0	112.2	S378	S378-E380 PolarHBondContact OG-N 2.92Å
381	K	25.7	Very low	29.7	Very low	201 Å²	201	151 Å²	151	87%	0.874	76%	0.757	S	S	*	*			trans	-85.4	126.1	177.3	-62.4	174.1	178.7	178.5	0	109.5
382	V	26.6	Very low	29.2	Very low	133 Å²	133	151.6 Å²	151.6	81%	0.806	77%	0.769	S	S	*	*			trans	-128.1	129.4	160.4	-176.9	0	0	0	0	107.7
383	I	23.6	Very low	28.7	Very low	146 Å²	146	152.6 Å²	152.6	75%	0.749	79%	0.788	S	S	*	*			trans	-110.1	125.3	178.5	-59.5	167.2	0	0	0	107
384	V	30.8	Very low	28.4	Very low	138 Å²	138	150.2 Å²	150.2	84%	0.836	79%	0.792	S	S	*	*			trans	-138.7	143.1	157.7	-173.3	0	0	0	0	107
385	D	26.4	Very low	27.8	Very low	130 Å²	130	151.5 Å²	151.5	70%	0.695	80%	0.799	S	S	*	*			trans	-97.6	176.7	-161	-119.7	-43.4	0	0	0	114.8
386	N	28.7	Very low	27.5	Very low	136 Å²	136	154 Å²	154	73%	0.727	81%	0.807	S	S	*	*			trans	78.1	97	163.7	-57.3	-45.7	0	0	0	119.2
387	N	25.5	Very low	27	Very low	142 Å²	142	155.9 Å²	155.9	76%	0.759	82%	0.815	S	S	*	*				21.6	116.9	122.6	-56.8	-18.8	0	0	0	118.6
388	E	27.2	Very low	26.5	Very low	195 Å²	195	154.8 Å²	154.8	91%	0.911	81%	0.812	S	S	*	*				-159.9	154.9	100.2	-108.8	175.6	-161.6	0	0	111.3
389	H	24.2	Very low	26	Very low	186 Å²	186	161 Å²	161	86%	0.861	83%	0.828	S	S	*	*			trans	-104.1	126.6	-175.3	-74.3	-94.4	0	0	0	111.9
390	I	25.8	Very low	26	Very low	174 Å²	174	158.6 Å²	158.6	89%	0.892	82%	0.815	S	S	*	*			trans	-131.6	149.4	152.7	-62.8	-173.3	0	0	0	109.7
391	L	24.3	Very low	25.9	Very low	157 Å²	157	153.4 Å²	153.4	82%	0.822	80%	0.798	S	S	*	*			trans	-84.8	137.1	-160.8	-70.4	145.8	0	0	0	114.9
392	M	24.9	Very low	26	Very low	180 Å²	180	153.9 Å²	153.9	89%	0.887	79%	0.794	S	S	*	*			trans	40.4	95.4	133.1	-63.9	-95.1	-72.6	0	0	117.9
393	G	23.9	Very low	26.2	Very low	60 Å²	60	153.4 Å²	153.4	62%	0.619	79%	0.787	S	S	*	*			trans	161.1	80.2	167.1	0	0	0	0	0	111.5	D395	G393-D395 PolarHBondContact O-N 2.93Å
394	D	27.6	Very low	26.7	Very low	173 Å²	173	148.4 Å²	148.4	93%	0.925	77%	0.768	S	S	*	*			trans	-78	42.1	-165.2	-65.2	-2.4	0	0	0	114.8
395	D	24.5	Very low	26.8	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	75%	0.753	S	S	*	*	S	Bend	trans	-99.1	120.7	159.9	-84	-48	0	0	0	109.2	G393	G393-D395 PolarHBondContact O-N 2.93Å
396	N	24.2	Very low	27.1	Very low	158 Å²	158	142.1 Å²	142.1	85%	0.845	74%	0.736	S	S	*	*			trans	78.9	86.4	-179.6	-47.3	-82.6	0	0	0	117.3
397	M	24.8	Very low	27.3	Very low	188 Å²	188	142.1 Å²	142.1	93%	0.926	73%	0.73	S	S	*	*			trans	-116.3	95.9	147.7	-92.1	-152.5	168.8	0	0	112.8
398	Q	26.3	Very low	27.6	Very low	174 Å²	174	142 Å²	142	81%	0.813	73%	0.725	S	S	*	*			trans	46.6	121.2	143.4	-57.5	-173.1	1.5	0	0	120	I400	Q398-I400 PolarHBondContact O-N 2.94Å
399	F	24.7	Very low	27.7	Very low	218 Å²	218	134.6 Å²	134.6	96%	0.956	70%	0.697	S	S	*	*			trans	-67.2	87.3	174.5	-79.4	-107.7	0	0	0	113.2
400	I	26.2	Very low	28.1	Very low	126 Å²	126	129 Å²	129	65%	0.646	68%	0.683	S	S	*	*			trans	-76.7	113.7	142.8	-58	178.1	0	0	0	106	Q398 R402 A404 I405	Q398-I400 PolarHBondContact O-N 2.94Å; I400-R402 PolarHBondContact O-N 3.42Å; I400-A404 HydrophobicContact CG2-CB 4.43Å; I400-I405 HydrophobicContact CG2-CD1 3.93Å; I400-I405 HydrophobicContact CG2-CG1 3.85Å
401	S	27.8	Very low	28.4	Very low	62 Å²	62	127.8 Å²	127.8	43%	0.434	67%	0.673	S	S	.	*			trans	-63.3	139.7	-177	76.6	0	0	0	0	110.7	D403 A404	S401-D403 PolarHBondContact O-N 2.84Å; S401-D403 VanDerWaalsContact O-N 3.08Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 2.9Å; S401-A404 PolarHBondContact OG-N 3.49Å
402	R	27.9	Very low	28.7	Very low	211 Å²	211	126 Å²	126	80%	0.796	67%	0.668	S	S	*	*	H	α-helix	trans	-56.1	-28.3	177.6	-72.6	177.2	169.7	174.9	-4.9	111.9	I400 G406	I400-R402 PolarHBondContact O-N 3.42Å; R402-G406 PolarHBondContact O-N 3.48Å
403	D	30.7	Very low	28.9	Very low	123 Å²	123	123.5 Å²	123.5	66%	0.658	66%	0.658	S	S	*	*	H	α-helix	trans	-62.7	-37.7	173.1	-115.7	48.1	0	0	0	114	S401 G406 K407	S401-D403 PolarHBondContact O-N 2.84Å; S401-D403 VanDerWaalsContact O-N 3.08Å; D403-G406 PolarHBondContact O-N 2.81Å; D403-K407 WeakPolarHBondContact O-CG 3.48Å; D403-K407 PolarHBondContact O-N 3.2Å
404	A	34.8	Very low	29	Very low	42 Å²	42	127.6 Å²	127.6	35%	0.347	67%	0.666	S	S	.	*	H	α-helix	trans	-69.6	-45	180	0	0	0	0	0	111.7	I400 S401 G406 K407 Q408	I400-A404 HydrophobicContact CG2-CB 4.43Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 2.9Å; S401-A404 PolarHBondContact OG-N 3.49Å; A404-G406 VanDerWaalsContact C-N 3.33Å; A404-K407 PolarHBondContact O-N 3.35Å; A404-Q408 PolarHBondContact O-N 3.38Å; A404-Q408 VanDerWaalsContact O-N 3.15Å
405	I	32.5	Very low	29.2	Very low	101 Å²	101	129.6 Å²	129.6	52%	0.518	66%	0.66	S	S	.	*	H	α-helix	trans	-64.2	-41.3	174.7	-61.7	170.3	0	0	0	110	I400 K407 Q408 A409	I400-I405 HydrophobicContact CG2-CD1 3.93Å; I400-I405 HydrophobicContact CG2-CG1 3.85Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 2.89Å; I405-Q408 PolarHBondContact O-N 3.32Å; I405-A409 WeakPolarHBondContact O-CB 3.29Å; I405-A409 PolarHBondContact O-N 3.14Å
406	G	32.3	Very low	29.5	Very low	34 Å²	34	131.6 Å²	131.6	35%	0.351	66%	0.662	S	S	.	*	H	α-helix	trans	-59	-39.9	174.2	0	0	0	0	0	113.6	R402 D403 A404 A410	R402-G406 PolarHBondContact O-N 3.48Å; D403-G406 PolarHBondContact O-N 2.81Å; A404-G406 VanDerWaalsContact C-N 3.33Å; G406-A410 WeakPolarHBondContact O-CB 3.37Å; G406-A410 PolarHBondContact O-N 2.94Å; G406-A410 VanDerWaalsContact O-N 3.08Å
407	K	33.2	Very low	30	Very low	137 Å²	137	130.9 Å²	130.9	60%	0.596	65%	0.654	S	S	*	*	H	α-helix	trans	-66.2	-51.1	175.7	-81.2	-179.8	177.4	176.9	0	112.9	D403 A404 I405 A409 A410 E411	D403-K407 WeakPolarHBondContact O-CG 3.48Å; D403-K407 PolarHBondContact O-N 3.2Å; A404-K407 PolarHBondContact O-N 3.35Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 2.89Å; K407-A409 VanDerWaalsContact C-N 3.29Å; K407-A409 PolarHBondContact O-N 3.21Å; K407-A410 WeakPolarHBondContact O-CB 3.29Å; K407-A410 PolarHBondContact O-N 3.38Å; K407-E411 PolarHBondContact O-N 3.21Å
408	Q	31.6	Very low	30.3	Very low	139 Å²	139	127 Å²	127	65%	0.65	64%	0.637	S	S	*	*	H	α-helix	trans	-62.4	-37.7	179.8	-74.7	-175.7	-35.8	0	0	112	A404 I405 A410 E411 V412	A404-Q408 PolarHBondContact O-N 3.38Å; A404-Q408 VanDerWaalsContact O-N 3.15Å; I405-Q408 PolarHBondContact O-N 3.32Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; Q408-A410 PolarHBondContact O-N 3.28Å; Q408-E411 PolarHBondContact O-N 2.96Å; Q408-V412 WeakPolarHBondContact O-CG2 3.48Å; Q408-V412 PolarHBondContact O-N 2.76Å
409	A	30.2	Very low	30.6	Very low	40 Å²	40	123.1 Å²	123.1	33%	0.331	62%	0.621	S	S	.	*	H	α-helix	trans	-63.8	-36.4	172.9	0	0	0	0	0	112.9	I405 K407 L413	I405-A409 WeakPolarHBondContact O-CB 3.29Å; I405-A409 PolarHBondContact O-N 3.14Å; K407-A409 VanDerWaalsContact C-N 3.29Å; K407-A409 PolarHBondContact O-N 3.21Å; A409-L413 WeakPolarHBondContact O-CB 3.21Å; A409-L413 WeakPolarHBondContact O-CG 3.31Å; A409-L413 PolarHBondContact O-N 2.83Å
410	A	32	Very low	31	Very low	67 Å²	67	116 Å²	116	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-72.3	-35	178	0	0	0	0	0	113.3	G406 K407 Q408	G406-A410 WeakPolarHBondContact O-CB 3.37Å; G406-A410 PolarHBondContact O-N 2.94Å; G406-A410 VanDerWaalsContact O-N 3.08Å; K407-A410 WeakPolarHBondContact O-CB 3.29Å; K407-A410 PolarHBondContact O-N 3.38Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; Q408-A410 PolarHBondContact O-N 3.28Å
411	E	31.5	Very low	31.2	Very low	150 Å²	150	117 Å²	117	70%	0.701	59%	0.594	S	S	*	*	H	α-helix	trans	-70.7	-35.4	179.1	-72.7	174.8	169.8	0	0	112.5	K407 Q408	K407-E411 PolarHBondContact O-N 3.21Å; Q408-E411 PolarHBondContact O-N 2.96Å
412	V	31.7	Very low	31.4	Very low	118 Å²	118	118.2 Å²	118.2	72%	0.715	60%	0.595	S	S	*	*	H	α-helix	trans	-76.2	-30.2	178.8	175.5	0	0	0	0	112.7	Q408 N414	Q408-V412 WeakPolarHBondContact O-CG2 3.48Å; Q408-V412 PolarHBondContact O-N 2.76Å; V412-N414 PolarHBondContact O-N 3.11Å
413	L	28.1	Very low	31.5	Very low	129 Å²	129	112.5 Å²	112.5	68%	0.675	58%	0.58	S	S	*	*			trans	-99.4	46.3	-169.4	-65	175.6	0	0	0	114.7	A409 W415	A409-L413 WeakPolarHBondContact O-CB 3.21Å; A409-L413 WeakPolarHBondContact O-CG 3.31Å; A409-L413 PolarHBondContact O-N 2.83Å; L413-W415 PolarHBondContact O-N 3.3Å
414	N	26.5	Very low	31.6	Very low	145 Å²	145	110 Å²	110	78%	0.775	57%	0.566	S	S	*	*			trans	-73.5	44.9	-177	-165.4	2.8	0	0	0	114.9	V412	V412-N414 PolarHBondContact O-N 3.11Å
415	W	32.4	Very low	31.6	Very low	215 Å²	215	113.8 Å²	113.8	81%	0.814	58%	0.578	S	S	*	*			trans	-126.6	76.1	-167	-82.2	54.4	0	0	0	114.1	L413	L413-W415 PolarHBondContact O-N 3.3Å
416	K	30.8	Very low	31.6	Very low	186 Å²	186	114.3 Å²	114.3	81%	0.809	58%	0.578	S	S	*	*			trans	46.1	116.9	156.4	-65.2	-176.8	178.8	177.3	0	119.4	N418 I419	K416-N418 PolarHBondContact O-N 2.82Å; K416-I419 PolarHBondContact O-N 3.46Å
417	Q	33.4	Very low	31.8	Very low	143 Å²	143	117.9 Å²	117.9	67%	0.668	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-25.5	-26.3	172.6	-64.7	173.9	-25.9	0	0	120.5	R421	Q417-R421 PolarHBondContact O-N 3.02Å
418	N	31.6	Very low	31.7	Very low	107 Å²	107	112.2 Å²	112.2	57%	0.572	56%	0.564	S	S	*	*	H	α-helix	trans	-71.2	-30.5	-177.7	-69.9	-19.1	0	0	0	112.8	K416 R421 L422	K416-N418 PolarHBondContact O-N 2.82Å; N418-R421 PolarHBondContact O-N 3.16Å; N418-L422 WeakPolarHBondContact O-CG 3.4Å; N418-L422 PolarHBondContact O-N 2.98Å
419	I	33.1	Very low	31.7	Very low	92 Å²	92	112.9 Å²	112.9	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-71.2	-40.8	178.2	-61.6	176.9	0	0	0	110.3	K416 R421 L422 L423	K416-I419 PolarHBondContact O-N 3.46Å; I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 2.91Å; I419-L422 PolarHBondContact O-N 2.88Å; I419-L422 VanDerWaalsContact O-N 3.13Å; I419-L423 HydrophobicContact CG2-CD1 4Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CG 3.06Å; I419-L423 PolarHBondContact O-N 3.11Å
420	S	32.3	Very low	31.7	Very low	68 Å²	68	114.1 Å²	114.1	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-57	-44	172.6	-39.2	0	0	0	0	111.5	L423 L424	S420-L423 PolarHBondContact O-N 2.98Å; S420-L424 WeakPolarHBondContact O-CB 2.98Å; S420-L424 WeakPolarHBondContact O-CD1 2.54Å; S420-L424 VanDerWaalsContact O-CG 3.24Å; S420-L424 WeakPolarHBondContact O-CG 2.5Å; S420-L424 PolarHBondContact O-N 3.26Å
421	R	31.8	Very low	31.4	Very low	149 Å²	149	119.8 Å²	119.8	56%	0.562	59%	0.586	S	S	*	*	H	α-helix	trans	-62.5	-42.8	173.6	-82	-177.2	169.1	165.2	-1.5	113	Q417 N418 I419 L424 M425	Q417-R421 PolarHBondContact O-N 3.02Å; N418-R421 PolarHBondContact O-N 3.16Å; I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 2.91Å; R421-L424 CarbonylContact O-C 3.6Å; R421-L424 PolarHBondContact O-N 3.08Å; R421-M425 WeakPolarHBondContact O-CB 3.33Å; R421-M425 VanDerWaalsContact O-CG 3.26Å; R421-M425 WeakPolarHBondContact O-CG 3.45Å; R421-M425 PolarHBondContact O-N 3.35Å
422	L	31.1	Very low	31.2	Very low	86 Å²	86	118.5 Å²	118.5	45%	0.45	58%	0.583	S	S	.	*	H	α-helix	trans	-63.1	-43.8	177.3	-79.3	162.1	0	0	0	111.9	N418 I419 M425 H426	N418-L422 WeakPolarHBondContact O-CG 3.4Å; N418-L422 PolarHBondContact O-N 2.98Å; I419-L422 PolarHBondContact O-N 2.88Å; I419-L422 VanDerWaalsContact O-N 3.13Å; L422-M425 PolarHBondContact O-N 2.97Å; L422-H426 WeakPolarHBondContact O-CB 3.27Å; L422-H426 PolarHBondContact O-CD2 3.13Å; L422-H426 PolarHBondContact O-N 3.31Å
423	L	30.1	Very low	31.1	Very low	92 Å²	92	117.5 Å²	117.5	48%	0.482	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-46	176.2	-66	165.1	0	0	0	111.1	I419 S420 M425 H426 F427	I419-L423 HydrophobicContact CG2-CD1 4Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CG 3.06Å; I419-L423 PolarHBondContact O-N 3.11Å; S420-L423 PolarHBondContact O-N 2.98Å; L423-M425 PolarHBondContact O-N 3.02Å; L423-H426 PolarHBondContact O-N 3.07Å; L423-F427 HydrophobicContact CD2-CE2 3.96Å; L423-F427 WeakPolarHBondContact O-CD2 3.49Å; L423-F427 PolarHBondContact O-N 3.46Å; L423-F427 VanDerWaalsContact O-N 3.12Å
424	L	33.3	Very low	31.1	Very low	69 Å²	69	121.5 Å²	121.5	36%	0.361	59%	0.589	S	S	.	*	H	α-helix	trans	-71.6	-5.3	176.6	-67.5	168.4	0	0	0	114.6	S420 R421 S459 V460	S420-L424 WeakPolarHBondContact O-CB 2.98Å; S420-L424 WeakPolarHBondContact O-CD1 2.54Å; S420-L424 VanDerWaalsContact O-CG 3.24Å; S420-L424 WeakPolarHBondContact O-CG 2.5Å; S420-L424 PolarHBondContact O-N 3.26Å; R421-L424 CarbonylContact O-C 3.6Å; R421-L424 PolarHBondContact O-N 3.08Å; L424-S459 PolarHBondContact O-OG 3.31Å; L424-V460 HydrophobicContact CB-CG2 3.79Å; L424-V460 HydrophobicContact CD1-CG2 4.13Å; L424-V460 HydrophobicContact CD2-CG1 4.3Å; L424-V460 HydrophobicContact CD2-CG2 3.85Å; L424-V460 HydrophobicContact CG-CG2 4.13Å
425	M	33.1	Very low	31.2	Very low	122 Å²	122	123.3 Å²	123.3	60%	0.601	59%	0.59	S	S	*	*	H	α-helix	trans	-99.3	-36	167.8	-75.7	175.9	64.6	0	0	112	R421 L422 L423	R421-M425 WeakPolarHBondContact O-CB 3.33Å; R421-M425 VanDerWaalsContact O-CG 3.26Å; R421-M425 WeakPolarHBondContact O-CG 3.45Å; R421-M425 PolarHBondContact O-N 3.35Å; L422-M425 PolarHBondContact O-N 2.97Å; L423-M425 PolarHBondContact O-N 3.02Å
426	H	33.7	Very low	31.1	Very low	112 Å²	112	116.6 Å²	116.6	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-87.6	-23	-172.5	-74.6	-55.1	0	0	0	115.5	L422 L423 G428	L422-H426 WeakPolarHBondContact O-CB 3.27Å; L422-H426 PolarHBondContact O-CD2 3.13Å; L422-H426 PolarHBondContact O-N 3.31Å; L423-H426 PolarHBondContact O-N 3.07Å; H426-G428 VanDerWaalsContact C-N 3.33Å
427	F	36.7	Very low	31.1	Very low	109 Å²	109	110.2 Å²	110.2	48%	0.478	58%	0.575	S	S	.	*	S	Bend	trans	-82.4	-11.5	172	-75.9	-71.7	0	0	0	113.6	L423 E429	L423-F427 HydrophobicContact CD2-CE2 3.96Å; L423-F427 WeakPolarHBondContact O-CD2 3.49Å; L423-F427 PolarHBondContact O-N 3.46Å; L423-F427 VanDerWaalsContact O-N 3.12Å; F427-E429 VanDerWaalsContact C-N 3.32Å; F427-E429 PolarHBondContact O-N 2.83Å
428	G	31.3	Very low	31.2	Very low	18 Å²	18	108.1 Å²	108.1	19%	0.186	58%	0.576	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	21.3	-173.5	0	0	0	0	0	116.9	H426 Y463	H426-G428 VanDerWaalsContact C-N 3.33Å; G428-Y463 VanDerWaalsContact C-OH 3.25Å; G428-Y463 WeakPolarHBondContact O-CE2 3.24Å; G428-Y463 PolarHBondContact O-OH 3.41Å; G428-Y463 VanDerWaalsContact O-OH 3.1Å
429	E	31.5	Very low	31.4	Very low	153 Å²	153	108 Å²	108	72%	0.715	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	15.9	178.6	-67	-166.5	141.8	0	0	114.3	F427	F427-E429 VanDerWaalsContact C-N 3.32Å; F427-E429 PolarHBondContact O-N 2.83Å
430	V	29.8	Very low	31.6	Very low	67 Å²	67	110.3 Å²	110.3	41%	0.406	58%	0.577	S	S	.	*			trans	-111.7	109.8	-176.1	-152.5	0	0	0	0	112.3	L432	V430-L432 HydrophobicContact CB-CD1 4.35Å; V430-L432 HydrophobicContact CB-CG 4.04Å; V430-L432 HydrophobicContact CG1-CD1 4.13Å; V430-L432 HydrophobicContact CG1-CD2 3.66Å; V430-L432 HydrophobicContact CG1-CG 3.6Å; V430-L432 PolarHBondContact O-N 3.48Å
431	E	26.3	Very low	31.7	Very low	185 Å²	185	109.8 Å²	109.8	86%	0.864	58%	0.577	S	S	*	*			trans	-69.3	93.1	166.4	-76.4	-167.4	126.2	0	0	109.9
432	L	27.6	Very low	32	Very low	124 Å²	124	106.9 Å²	106.9	65%	0.649	58%	0.575	S	S	*	*			trans	-104.2	120.2	179.2	-69.3	178.8	0	0	0	112.8	V430 Y434	V430-L432 HydrophobicContact CB-CD1 4.35Å; V430-L432 HydrophobicContact CB-CG 4.04Å; V430-L432 HydrophobicContact CG1-CD1 4.13Å; V430-L432 HydrophobicContact CG1-CD2 3.66Å; V430-L432 HydrophobicContact CG1-CG 3.6Å; V430-L432 PolarHBondContact O-N 3.48Å; L432-Y434 PolarHBondContact O-N 3.09Å
433	S	28.7	Very low	32.4	Very low	96 Å²	96	105.1 Å²	105.1	67%	0.671	57%	0.568	S	S	*	*			trans	-77	103.9	176.8	47.8	0	0	0	0	112.4
434	Y	27.8	Very low	33	Very low	214 Å²	214	105.4 Å²	105.4	84%	0.839	57%	0.567	S	S	*	*			trans	35.5	92.9	147.7	-159.4	-88.3	0	0	0	117.5	L432	L432-Y434 PolarHBondContact O-N 3.09Å
435	K	29.4	Very low	33.2	Very low	183 Å²	183	106.7 Å²	106.7	80%	0.796	57%	0.573	S	S	*	*			trans	-174	97.9	146.6	-106.7	158.3	-174.1	-179.5	0	115.1
436	G	29.1	Very low	33.5	Very low	73 Å²	73	102.2 Å²	102.2	75%	0.753	56%	0.555	S	S	*	*			trans	85.6	117.2	140.3	0	0	0	0	0	120.3	S438	G436-S438 PolarHBondContact O-N 3.27Å
437	G	31.4	Very low	33.8	Very low	53 Å²	53	99.3 Å²	99.3	55%	0.546	54%	0.542	S	S	.	.	S	Bend	trans	76.5	-68.9	145.1	0	0	0	0	0	117.8	Y439 E440	G437-Y439 PolarHBondContact O-N 3.05Å; G437-E440 PolarHBondContact O-N 3.47Å
438	S	34.8	Very low	34.2	Very low	99 Å²	99	97.3 Å²	97.3	69%	0.692	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-21.4	-162.2	-53.6	0	0	0	0	114.7	G436	G436-S438 PolarHBondContact O-N 3.27Å
439	Y	37.4	Very low	34.4	Very low	103 Å²	103	101.5 Å²	101.5	40%	0.404	56%	0.56	S	S	.	*	H	α-helix	trans	-77.5	-37.1	-177.3	-121.9	-91	0	0	0	113.2	G437 A441 V442 V443	G437-Y439 PolarHBondContact O-N 3.05Å; Y439-A441 VanDerWaalsContact C-N 3.31Å; Y439-A441 PolarHBondContact O-N 2.86Å; Y439-V442 PolarHBondContact O-N 2.69Å; Y439-V442 VanDerWaalsContact O-N 3.14Å; Y439-V443 HydrophobicContact CD1-CG2 4.41Å; Y439-V443 WeakPolarHBondContact O-CG2 3.38Å; Y439-V443 PolarHBondContact O-N 3.29Å
440	E	35.5	Very low	34.9	Very low	142 Å²	142	96.2 Å²	96.2	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-65.1	-36.2	-178.3	-66.3	175	118.7	0	0	111.5	G437 V442 V443 H444	G437-E440 PolarHBondContact O-N 3.47Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.2Å; E440-V443 PolarHBondContact O-N 3.07Å; E440-H444 WeakPolarHBondContact O-CB 3.3Å; E440-H444 PolarHBondContact O-N 3.4Å
441	A	35.9	Very low	35.2	Very low	57 Å²	57	100.3 Å²	100.3	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-62.1	-39.7	173.7	0	0	0	0	0	112.4	Y439 L445	Y439-A441 VanDerWaalsContact C-N 3.31Å; Y439-A441 PolarHBondContact O-N 2.86Å; A441-L445 WeakPolarHBondContact O-CB 3.14Å; A441-L445 WeakPolarHBondContact O-CD1 3.5Å; A441-L445 PolarHBondContact O-N 3.45Å
442	V	37.4	Very low	35.7	Very low	88 Å²	88	100.4 Å²	100.4	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-71.6	-39.5	177.9	178.1	0	0	0	0	111.2	Y439 E440 L445 A446	Y439-V442 PolarHBondContact O-N 2.69Å; Y439-V442 VanDerWaalsContact O-N 3.14Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.2Å; V442-L445 PolarHBondContact O-N 2.86Å; V442-A446 PolarHBondContact O-N 2.91Å
443	V	40.1	Very low	36	Very low	48 Å²	48	100.9 Å²	100.9	29%	0.291	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-47.3	175	174.2	0	0	0	0	110.8	Y439 E440 L445 A446 E447	Y439-V443 HydrophobicContact CD1-CG2 4.41Å; Y439-V443 WeakPolarHBondContact O-CG2 3.38Å; Y439-V443 PolarHBondContact O-N 3.29Å; E440-V443 PolarHBondContact O-N 3.07Å; V443-L445 PolarHBondContact O-N 2.86Å; V443-A446 CarbonylContact O-C 3.55Å; V443-A446 WeakPolarHBondContact O-CA 3.26Å; V443-A446 WeakPolarHBondContact O-CB 3.3Å; V443-A446 PolarHBondContact O-N 3.29Å; V443-E447 HydrophobicContact CG1-CG 4.29Å; V443-E447 WeakPolarHBondContact O-CG 3.25Å; V443-E447 PolarHBondContact O-N 3.41Å
444	H	41.8	Very low	36.1	Very low	99 Å²	99	106 Å²	106	46%	0.458	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-33.1	175.7	-81.7	-33.4	0	0	0	113.4	E440 A446 E447 S448	E440-H444 WeakPolarHBondContact O-CB 3.3Å; E440-H444 PolarHBondContact O-N 3.4Å; H444-A446 VanDerWaalsContact C-N 3.31Å; H444-E447 IonicContact CE1-OE2 3.21Å; H444-E447 IonicContact CG-OE2 2.73Å; H444-E447 IonicContact ND1-OE2 3.9Å; H444-E447 PolarHBondContact ND1-OE2 2.87Å; H444-S448 VanDerWaalsContact O-CB 3.29Å; H444-S448 WeakPolarHBondContact O-CB 3.47Å; H444-S448 PolarHBondContact O-N 2.7Å; H444-S448 PolarHBondContact O-OG 2.72Å
445	L	38.7	Very low	36.4	Very low	95 Å²	95	103.6 Å²	103.6	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-35.1	169.7	-106.5	86.6	0	0	0	111.9	A441 V442 V443 S448 N449	A441-L445 WeakPolarHBondContact O-CB 3.14Å; A441-L445 WeakPolarHBondContact O-CD1 3.5Å; A441-L445 PolarHBondContact O-N 3.45Å; V442-L445 PolarHBondContact O-N 2.86Å; V443-L445 PolarHBondContact O-N 2.86Å; L445-S448 PolarHBondContact O-OG 3.24Å; L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 3Å; L445-N449 PolarHBondContact O-ND2 3.42Å
446	A	39	Very low	36.7	Very low	28 Å²	28	99.1 Å²	99.1	23%	0.231	54%	0.54	C	S	.	.	H	α-helix	trans	-70.3	-48.1	174.8	0	0	0	0	0	111.6	V442 V443 H444 N449 C450	V442-A446 PolarHBondContact O-N 2.91Å; V443-A446 CarbonylContact O-C 3.55Å; V443-A446 WeakPolarHBondContact O-CA 3.26Å; V443-A446 WeakPolarHBondContact O-CB 3.3Å; V443-A446 PolarHBondContact O-N 3.29Å; H444-A446 VanDerWaalsContact C-N 3.31Å; A446-N449 PolarHBondContact O-N 3.45Å; A446-C450 WeakPolarHBondContact O-CB 3.49Å; A446-C450 PolarHBondContact O-N 3.41Å; A446-C450 PolarHBondContact O-SG 2.91Å
447	E	40.1	Very low	37.1	Very low	51 Å²	51	97.5 Å²	97.5	24%	0.238	52%	0.522	C	S	.	.	H	α-helix	trans	-59.4	-52.1	178.8	-70.9	175.5	149.9	0	0	111.7	V443 H444 N449 C450 L451 R491	V443-E447 HydrophobicContact CG1-CG 4.29Å; V443-E447 WeakPolarHBondContact O-CG 3.25Å; V443-E447 PolarHBondContact O-N 3.41Å; H444-E447 IonicContact CE1-OE2 3.21Å; H444-E447 IonicContact CG-OE2 2.73Å; H444-E447 IonicContact ND1-OE2 3.9Å; H444-E447 PolarHBondContact ND1-OE2 2.87Å; E447-N449 VanDerWaalsContact C-N 3.29Å; E447-N449 PolarHBondContact O-N 3.04Å; E447-C450 PolarHBondContact O-N 2.84Å; E447-L451 WeakPolarHBondContact O-CG 3.47Å; E447-L451 PolarHBondContact O-N 3.43Å; E447-R491 IonicContact OE1-CZ 2.63Å; E447-R491 IonicContact OE1-NH1 2.63Å; E447-R491 IonicContact OE1-NH2 3.81Å; E447-R491 PolarHBondContact OE1-NH2 3.15Å
448	S	43.7	Very low	36.9	Very low	68 Å²	68	103.1 Å²	103.1	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-29.7	-177.7	57.9	0	0	0	0	114	H444 L445	H444-S448 VanDerWaalsContact O-CB 3.29Å; H444-S448 WeakPolarHBondContact O-CB 3.47Å; H444-S448 PolarHBondContact O-N 2.7Å; H444-S448 PolarHBondContact O-OG 2.72Å; L445-S448 PolarHBondContact O-OG 3.24Å
449	N	37.2	Very low	36.8	Very low	106 Å²	106	100.8 Å²	100.8	57%	0.567	52%	0.515	S	S	*	.	H	α-helix	trans	-85	-36.5	173.4	-76.1	-75.1	0	0	0	112.9	L445 A446 E447 K452	L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 3Å; L445-N449 PolarHBondContact O-ND2 3.42Å; A446-N449 PolarHBondContact O-N 3.45Å; E447-N449 VanDerWaalsContact C-N 3.29Å; E447-N449 PolarHBondContact O-N 3.04Å; N449-K452 PolarHBondContact O-N 2.91Å
450	C	40.2	Very low	36.5	Very low	41 Å²	41	96.9 Å²	96.9	28%	0.277	50%	0.502	S	S	.	.	H	α-helix	trans	-71.6	-30.4	-179.3	-71.4	0	0	0	0	113.2	A446 E447 K452 Q453 I456	A446-C450 WeakPolarHBondContact O-CB 3.49Å; A446-C450 PolarHBondContact O-N 3.41Å; A446-C450 PolarHBondContact O-SG 2.91Å; E447-C450 PolarHBondContact O-N 2.84Å; C450-K452 PolarHBondContact O-N 3.15Å; C450-Q453 PolarHBondContact O-N 3.16Å; C450-I456 HydrophobicContact CB-CD1 4.47Å; C450-I456 HydrophobicContact CB-CG1 4.4Å
451	L	36.6	Very low	36.6	Very low	153 Å²	153	94.3 Å²	94.3	80%	0.801	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.8	176.3	-79.5	166.5	0	0	0	113.9	E447	E447-L451 WeakPolarHBondContact O-CG 3.47Å; E447-L451 PolarHBondContact O-N 3.43Å
452	K	37.6	Very low	36.8	Very low	188 Å²	188	100.1 Å²	100.1	82%	0.817	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.7	176.3	-68.2	175.2	-178.4	168.4	0	114.5	N449 C450	N449-K452 PolarHBondContact O-N 2.91Å; C450-K452 PolarHBondContact O-N 3.15Å
453	Q	34.1	Very low	36.8	Very low	133 Å²	133	100 Å²	100	62%	0.621	49%	0.493	S	S	*	.			trans	-141.1	109.8	-176.4	-63.5	-169.4	8.2	0	0	112.9	C450 Q455	C450-Q453 PolarHBondContact O-N 3.16Å; Q453-Q455 PolarHBondContact O-N 3.08Å
454	R	30.2	Very low	37.2	Very low	204 Å²	204	100.1 Å²	100.1	77%	0.77	50%	0.496	S	S	*	.	S	Bend	trans	-71.7	47.4	-177.4	-66.1	179	169.9	172.7	-5.7	115	G667	R454-G667 PolarHBondContact NH1-O 3.27Å
455	Q	35	Very low	38.1	Very low	164 Å²	164	99.2 Å²	99.2	77%	0.766	49%	0.493	S	S	*	.			trans	-136.9	62	175	-70.1	-163.7	4	0	0	112.8	Q453	Q453-Q455 PolarHBondContact O-N 3.08Å
456	I	35.8	Very low	39	Very low	89 Å²	89	96 Å²	96	46%	0.456	48%	0.481	S	S	.	.			trans	-73	128.8	171.7	-56.8	178.7	0	0	0	109.4	C450 V460 L461	C450-I456 HydrophobicContact CB-CD1 4.47Å; C450-I456 HydrophobicContact CB-CG1 4.4Å; I456-V460 HydrophobicContact CG2-CB 3.86Å; I456-V460 HydrophobicContact CG2-CG1 4.15Å; I456-L461 HydrophobicContact CG2-CB 4.02Å; I456-L461 HydrophobicContact CG2-CD1 4.4Å
457	G	35.9	Very low	40.4	Very low	38 Å²	38	99.7 Å²	99.7	39%	0.392	49%	0.494	S	S	.	.			trans	-73.6	149.1	175.6	0	0	0	0	0	112.2	S459 V460 L461	G457-S459 PolarHBondContact O-N 2.98Å; G457-S459 VanDerWaalsContact O-N 3.12Å; G457-V460 PolarHBondContact O-N 2.81Å; G457-L461 PolarHBondContact O-N 2.72Å; G457-L461 VanDerWaalsContact O-N 3.15Å
458	K	28.1	Very low	42.2	Very low	172 Å²	172	98.5 Å²	98.5	75%	0.748	49%	0.489	S	S	*	.	H	α-helix	trans	-55.2	-33.2	-176.1	-71.2	-162.1	173.9	-161.9	0	113.9	W462	K458-W462 VanDerWaalsContact O-CB 3.26Å; K458-W462 WeakPolarHBondContact O-CB 3.36Å; K458-W462 PolarHBondContact O-N 3.49Å
459	S	31.6	Very low	43.9	Very low	49 Å²	49	97.2 Å²	97.2	34%	0.343	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-46.9	175.6	53.7	0	0	0	0	112.6	L424 G457 W462 Y463	L424-S459 PolarHBondContact O-OG 3.31Å; G457-S459 PolarHBondContact O-N 2.98Å; G457-S459 VanDerWaalsContact O-N 3.12Å; S459-W462 PolarHBondContact O-N 3.04Å; S459-Y463 WeakPolarHBondContact O-CD2 3.44Å; S459-Y463 PolarHBondContact O-N 3.28Å
460	V	33	Very low	46	Very low	21 Å²	21	98.9 Å²	98.9	13%	0.127	48%	0.481	C	S	.	.	H	α-helix	trans	-66.3	-45.5	-178.3	-170.5	0	0	0	0	110.6	L424 I456 G457 W462 Y463 C464	L424-V460 HydrophobicContact CB-CG2 3.79Å; L424-V460 HydrophobicContact CD1-CG2 4.13Å; L424-V460 HydrophobicContact CD2-CG1 4.3Å; L424-V460 HydrophobicContact CD2-CG2 3.85Å; L424-V460 HydrophobicContact CG-CG2 4.13Å; I456-V460 HydrophobicContact CG2-CB 3.86Å; I456-V460 HydrophobicContact CG2-CG1 4.15Å; G457-V460 PolarHBondContact O-N 2.81Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.69Å; V460-Y463 PolarHBondContact O-N 3.29Å; V460-Y463 VanDerWaalsContact O-N 3.13Å; V460-C464 PolarHBondContact O-N 2.88Å; V460-C464 PolarHBondContact O-SG 2.83Å; V460-C464 VanDerWaalsContact O-SG 3.41Å
461	L	36.3	Very low	48.2	Very low	89 Å²	89	99.3 Å²	99.3	47%	0.466	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-42.1	177.1	-166	71.7	0	0	0	111.3	I456 G457 Y463 I465	I456-L461 HydrophobicContact CG2-CB 4.02Å; I456-L461 HydrophobicContact CG2-CD1 4.4Å; G457-L461 PolarHBondContact O-N 2.72Å; G457-L461 VanDerWaalsContact O-N 3.15Å; L461-Y463 VanDerWaalsContact C-N 3.35Å; L461-I465 HydrophobicContact CG-CD1 4.13Å; L461-I465 WeakPolarHBondContact O-CB 3.32Å; L461-I465 WeakPolarHBondContact O-CD1 3.5Å; L461-I465 VanDerWaalsContact O-CG1 3.22Å; L461-I465 WeakPolarHBondContact O-CG1 3.13Å; L461-I465 PolarHBondContact O-N 3.34Å; L461-I465 VanDerWaalsContact O-N 3.1Å
462	W	40.4	Very low	50.7	Low	179 Å²	179	92 Å²	92	68%	0.678	44%	0.441	S	S	*	.	H	α-helix	trans	-62.1	-39.3	174	179.4	-96	0	0	0	112.5	K458 S459 V460 A466	K458-W462 VanDerWaalsContact O-CB 3.26Å; K458-W462 WeakPolarHBondContact O-CB 3.36Å; K458-W462 PolarHBondContact O-N 3.49Å; S459-W462 PolarHBondContact O-N 3.04Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.69Å; W462-A466 VanDerWaalsContact O-CB 3.24Å; W462-A466 WeakPolarHBondContact O-CB 3.29Å; W462-A466 PolarHBondContact O-N 3.41Å
463	Y	38.3	Very low	53	Low	86 Å²	86	84.2 Å²	84.2	34%	0.337	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-41.2	179.3	-99.7	-97.2	0	0	0	113.7	G428 S459 V460 L461 A466 M467	G428-Y463 VanDerWaalsContact C-OH 3.25Å; G428-Y463 WeakPolarHBondContact O-CE2 3.24Å; G428-Y463 PolarHBondContact O-OH 3.41Å; G428-Y463 VanDerWaalsContact O-OH 3.1Å; S459-Y463 WeakPolarHBondContact O-CD2 3.44Å; S459-Y463 PolarHBondContact O-N 3.28Å; V460-Y463 PolarHBondContact O-N 3.29Å; V460-Y463 VanDerWaalsContact O-N 3.13Å; L461-Y463 VanDerWaalsContact C-N 3.35Å; Y463-A466 PolarHBondContact O-N 3.1Å; Y463-M467 WeakPolarHBondContact O-CG 3.45Å; Y463-M467 PolarHBondContact O-N 3.45Å
464	C	47.7	Very low	55.6	Low	50 Å²	50	82.5 Å²	82.5	34%	0.338	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-51.3	171.6	-64.4	0	0	0	0	110.4	V460 A466 M467 D468	V460-C464 PolarHBondContact O-N 2.88Å; V460-C464 PolarHBondContact O-SG 2.83Å; V460-C464 VanDerWaalsContact O-SG 3.41Å; C464-A466 VanDerWaalsContact C-N 3.33Å; C464-A466 PolarHBondContact O-N 2.98Å; C464-M467 PolarHBondContact O-N 3Å; C464-M467 VanDerWaalsContact O-N 3.16Å; C464-D468 WeakPolarHBondContact O-CB 3.45Å; C464-D468 PolarHBondContact O-N 3.16Å
465	I	59.6	Low	58.5	Low	80 Å²	80	72.8 Å²	72.8	41%	0.41	36%	0.358	S	S	.	.	H	α-helix	trans	-56.8	-45	175.8	-67.9	166.6	0	0	0	111	L461 M467 D468 L469	L461-I465 HydrophobicContact CG-CD1 4.13Å; L461-I465 WeakPolarHBondContact O-CB 3.32Å; L461-I465 WeakPolarHBondContact O-CD1 3.5Å; L461-I465 VanDerWaalsContact O-CG1 3.22Å; L461-I465 WeakPolarHBondContact O-CG1 3.13Å; L461-I465 PolarHBondContact O-N 3.34Å; L461-I465 VanDerWaalsContact O-N 3.1Å; I465-M467 VanDerWaalsContact C-N 3.33Å; I465-M467 PolarHBondContact O-N 3.29Å; I465-D468 PolarHBondContact O-N 2.96Å; I465-L469 HydrophobicContact CG2-CD1 3.8Å; I465-L469 HydrophobicContact CG2-CG 4.15Å; I465-L469 VanDerWaalsContact O-CB 3.32Å; I465-L469 WeakPolarHBondContact O-CB 3.49Å; I465-L469 WeakPolarHBondContact O-CG 3.28Å; I465-L469 PolarHBondContact O-N 3.28Å
466	A	58.7	Low	61.1	Low	28 Å²	28	65 Å²	65	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-35.2	-179.8	0	0	0	0	0	113.1	W462 Y463 C464 Q470	W462-A466 VanDerWaalsContact O-CB 3.24Å; W462-A466 WeakPolarHBondContact O-CB 3.29Å; W462-A466 PolarHBondContact O-N 3.41Å; Y463-A466 PolarHBondContact O-N 3.1Å; C464-A466 VanDerWaalsContact C-N 3.33Å; C464-A466 PolarHBondContact O-N 2.98Å; A466-Q470 VanDerWaalsContact O-CG 3.3Å; A466-Q470 WeakPolarHBondContact O-CG 3.49Å; A466-Q470 PolarHBondContact O-N 3.46Å; A466-Q470 VanDerWaalsContact O-N 3.12Å
467	M	68.2	Low	63.5	Low	104 Å²	104	66.1 Å²	66.1	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-72.9	-46.8	174	-71.3	-164.2	73.4	0	0	111.9	Y463 C464 I465 L469 Q470 E471	Y463-M467 WeakPolarHBondContact O-CG 3.45Å; Y463-M467 PolarHBondContact O-N 3.45Å; C464-M467 PolarHBondContact O-N 3Å; C464-M467 VanDerWaalsContact O-N 3.16Å; I465-M467 VanDerWaalsContact C-N 3.33Å; I465-M467 PolarHBondContact O-N 3.29Å; M467-L469 VanDerWaalsContact C-N 3.28Å; M467-L469 PolarHBondContact O-N 3.42Å; M467-Q470 PolarHBondContact O-N 3.42Å; M467-Q470 VanDerWaalsContact O-N 3.12Å; M467-E471 WeakPolarHBondContact O-CB 3.37Å; M467-E471 PolarHBondContact O-N 3.41Å
468	D	78.3	Confident	66	Low	27 Å²	27	68 Å²	68	14%	0.144	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-36.3	178.4	-70.7	-40.8	0	0	0	111.6	C464 I465 L472 L487 R491 V493	C464-D468 WeakPolarHBondContact O-CB 3.45Å; C464-D468 PolarHBondContact O-N 3.16Å; I465-D468 PolarHBondContact O-N 2.96Å; D468-L472 VanDerWaalsContact O-CB 3.32Å; D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 PolarHBondContact O-N 2.92Å; D468-L487 HydrophobicContact CB-CD2 4.21Å; D468-R491 VanDerWaalsContact OD1-CD 3.24Å; D468-R491 WeakPolarHBondContact OD1-CD 3.38Å; D468-R491 IonicContact OD1-CZ 2.69Å; D468-R491 IonicContact OD1-NE 2.71Å; D468-R491 IonicContact OD1-NH1 2.64Å; D468-R491 PolarHBondContact OD1-NH1 3.31Å; D468-R491 IonicContact OD2-NH1 2.76Å; D468-R491 PolarHBondContact OD2-NH1 3.45Å; D468-V493 HydrophobicContact CB-CG1 4.47Å; D468-V493 HydrophobicContact CB-CG2 3.77Å
469	L	79.8	Confident	68.9	Low	40 Å²	40	60.9 Å²	60.9	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-69.2	-40.3	172.3	-68.6	-179.8	0	0	0	112.8	I465 M467 E471 L472 F473 V493 V497	I465-L469 HydrophobicContact CG2-CD1 3.8Å; I465-L469 HydrophobicContact CG2-CG 4.15Å; I465-L469 VanDerWaalsContact O-CB 3.32Å; I465-L469 WeakPolarHBondContact O-CB 3.49Å; I465-L469 WeakPolarHBondContact O-CG 3.28Å; I465-L469 PolarHBondContact O-N 3.28Å; M467-L469 VanDerWaalsContact C-N 3.28Å; M467-L469 PolarHBondContact O-N 3.42Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-L472 HydrophobicContact CD2-CD2 4.13Å; L469-L472 WeakPolarHBondContact O-CB 3.18Å; L469-L472 PolarHBondContact O-N 3.22Å; L469-F473 WeakPolarHBondContact O-CD2 3.41Å; L469-F473 PolarHBondContact O-N 2.83Å; L469-V493 HydrophobicContact CD2-CG1 3.68Å; L469-V497 HydrophobicContact CD1-CG1 4.13Å; L469-V497 HydrophobicContact CD2-CB 4.31Å; L469-V497 HydrophobicContact CD2-CG1 3.66Å; L469-V497 HydrophobicContact CD2-CG2 3.84Å
470	Q	81.2	Confident	71.7	Confident	141 Å²	141	60.9 Å²	60.9	66%	0.659	30%	0.296	S	S	*	.	H	α-helix	trans	-63.9	-38.8	174	-78.7	178.9	34.7	0	0	111.8	A466 M467 F473 R474	A466-Q470 VanDerWaalsContact O-CG 3.3Å; A466-Q470 WeakPolarHBondContact O-CG 3.49Å; A466-Q470 PolarHBondContact O-N 3.46Å; A466-Q470 VanDerWaalsContact O-N 3.12Å; M467-Q470 PolarHBondContact O-N 3.42Å; M467-Q470 VanDerWaalsContact O-N 3.12Å; Q470-F473 PolarHBondContact O-N 3.04Å; Q470-R474 PolarHBondContact O-N 2.98Å
471	E	85.8	Confident	74.4	Confident	50 Å²	50	61.5 Å²	61.5	23%	0.234	30%	0.298	C	S	.	.	H	α-helix	trans	-71.4	-33.5	178.7	-168.9	67	171.7	0	0	111.9	M467 L469 R474 S475 K483 L487	M467-E471 WeakPolarHBondContact O-CB 3.37Å; M467-E471 PolarHBondContact O-N 3.41Å; L469-E471 VanDerWaalsContact C-N 3.31Å; E471-R474 VanDerWaalsContact CD-NE 3.29Å; E471-R474 WeakPolarHBondContact O-CB 3.49Å; E471-R474 PolarHBondContact O-N 2.87Å; E471-R474 IonicContact OE1-CZ 3.42Å; E471-R474 IonicContact OE1-NE 3.19Å; E471-R474 PolarHBondContact OE1-NE 2.71Å; E471-R474 IonicContact OE1-NH2 2.74Å; E471-R474 PolarHBondContact OE1-NH2 2.96Å; E471-R474 WeakPolarHBondContact OE2-CD 3.43Å; E471-R474 IonicContact OE2-CZ 3.32Å; E471-R474 IonicContact OE2-NE 2.95Å; E471-R474 PolarHBondContact OE2-NE 3.22Å; E471-R474 IonicContact OE2-NH2 3.67Å; E471-S475 WeakPolarHBondContact O-CB 3.47Å; E471-S475 PolarHBondContact O-N 3.05Å; E471-S475 PolarHBondContact O-OG 3.4Å; E471-K483 HydrophobicContact CG-CD 4.43Å; E471-K483 HydrophobicContact CG-CG 4.03Å; E471-K483 WeakPolarHBondContact OE1-CE 3.29Å; E471-L487 HydrophobicContact CB-CD1 4.18Å; E471-L487 HydrophobicContact CB-CD2 4.45Å; E471-L487 HydrophobicContact CG-CD1 4.01Å
472	L	88.7	Confident	76.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-44.9	168	167.4	66.4	0	0	0	111.9	D468 L469 R474 S475 C476 L484 L487 V493 V495 V497 P505	D468-L472 VanDerWaalsContact O-CB 3.32Å; D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 PolarHBondContact O-N 2.92Å; L469-L472 HydrophobicContact CD2-CD2 4.13Å; L469-L472 WeakPolarHBondContact O-CB 3.18Å; L469-L472 PolarHBondContact O-N 3.22Å; L472-R474 VanDerWaalsContact C-N 3.26Å; L472-R474 PolarHBondContact O-N 3.42Å; L472-S475 PolarHBondContact O-OG 3.02Å; L472-C476 WeakPolarHBondContact O-CB 3.39Å; L472-C476 PolarHBondContact O-N 2.98Å; L472-C476 VanDerWaalsContact O-N 3.13Å; L472-C476 PolarHBondContact O-SG 3.42Å; L472-L484 HydrophobicContact CD1-CD1 3.47Å; L472-L484 VanDerWaalsContact CD1-CD1 3.47Å; L472-L487 HydrophobicContact CB-CD1 4.07Å; L472-V493 HydrophobicContact CB-CG1 4.33Å; L472-V493 HydrophobicContact CD2-CG1 3.76Å; L472-V495 HydrophobicContact CD1-CB 4.4Å; L472-V495 HydrophobicContact CD1-CG1 3.85Å; L472-V495 HydrophobicContact CD2-CG1 4.39Å; L472-V497 HydrophobicContact CD2-CG2 4.2Å; L472-P505 HydrophobicContact CD1-CB 4.25Å; L472-P505 HydrophobicContact CD1-CG 4.45Å; L472-P505 HydrophobicContact CD2-CG 3.88Å; L472-P505 HydrophobicContact CG-CB 4.17Å; L472-P505 HydrophobicContact CG-CG 3.92Å
473	F	86.9	Confident	79.1	Confident	24 Å²	24	60.3 Å²	60.3	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-29.3	173.3	-81.9	-66.5	0	0	0	112.5	L469 Q470 R477 V497 D499 S503 P505 Y508	L469-F473 WeakPolarHBondContact O-CD2 3.41Å; L469-F473 PolarHBondContact O-N 2.83Å; Q470-F473 PolarHBondContact O-N 3.04Å; F473-R477 WeakPolarHBondContact O-CB 3.32Å; F473-R477 PolarHBondContact O-N 2.97Å; F473-V497 HydrophobicContact CE2-CG2 3.68Å; F473-V497 HydrophobicContact CZ-CG2 3.77Å; F473-D499 HydrophobicContact CD2-CB 4.48Å; F473-D499 HydrophobicContact CE1-CB 4.13Å; F473-D499 HydrophobicContact CE2-CB 3.9Å; F473-D499 HydrophobicContact CZ-CB 3.71Å; F473-S503 WeakPolarHBondContact CE1-O 3.23Å; F473-S503 WeakPolarHBondContact CZ-O 3.36Å; F473-P505 HydrophobicContact CD1-CG 4.09Å; F473-P505 HydrophobicContact CE1-CG 3.77Å; F473-P505 HydrophobicContact CZ-CG 4.02Å; F473-Y508 AromaticContact CD1-CD2 3.6Å; F473-Y508 HydrophobicContact CD1-CD2 3.6Å; F473-Y508 AromaticContact CD1-CE2 3.75Å; F473-Y508 HydrophobicContact CD1-CE2 3.75Å; F473-Y508 HydrophobicContact CE1-CD2 4.02Å; F473-Y508 HydrophobicContact CE1-CE2 4.04Å
474	R	87.4	Confident	81.5	Confident	97 Å²	97	56.2 Å²	56.2	37%	0.366	28%	0.281	S	S	.	.	H	α-helix	trans	-71.1	-52.9	173.8	-167.8	-171.3	69.1	69.5	-0.8	110.7	Q470 E471 L472 C476 R477 T478 D480	Q470-R474 PolarHBondContact O-N 2.98Å; E471-R474 VanDerWaalsContact CD-NE 3.29Å; E471-R474 WeakPolarHBondContact O-CB 3.49Å; E471-R474 PolarHBondContact O-N 2.87Å; E471-R474 IonicContact OE1-CZ 3.42Å; E471-R474 IonicContact OE1-NE 3.19Å; E471-R474 PolarHBondContact OE1-NE 2.71Å; E471-R474 IonicContact OE1-NH2 2.74Å; E471-R474 PolarHBondContact OE1-NH2 2.96Å; E471-R474 WeakPolarHBondContact OE2-CD 3.43Å; E471-R474 IonicContact OE2-CZ 3.32Å; E471-R474 IonicContact OE2-NE 2.95Å; E471-R474 PolarHBondContact OE2-NE 3.22Å; E471-R474 IonicContact OE2-NH2 3.67Å; L472-R474 VanDerWaalsContact C-N 3.26Å; L472-R474 PolarHBondContact O-N 3.42Å; R474-C476 PolarHBondContact O-N 2.82Å; R474-R477 CarbonylContact O-C 3.39Å; R474-R477 WeakPolarHBondContact O-CA 3.35Å; R474-R477 WeakPolarHBondContact O-CB 3.23Å; R474-R477 PolarHBondContact O-N 3.44Å; R474-T478 HydrophobicContact CG-CG2 4.38Å; R474-T478 PolarHBondContact NH1-OG1 3.14Å; R474-T478 PolarHBondContact O-N 2.96Å; R474-T478 PolarHBondContact O-OG1 3.44Å; R474-T478 VanDerWaalsContact O-OG1 3.12Å; R474-D480 IonicContact CZ-OD2 3.9Å; R474-D480 IonicContact NH1-OD2 2.9Å; R474-D480 PolarHBondContact NH1-OD2 3.08Å; R474-D480 IonicContact NH2-OD2 2.83Å; R474-D480 PolarHBondContact NH2-OD2 3.47Å
475	S	90.8	Very high	83.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-43	-175.1	63.2	0	0	0	0	111.9	E471 L472 R477 T478 G479 D480	E471-S475 WeakPolarHBondContact O-CB 3.47Å; E471-S475 PolarHBondContact O-N 3.05Å; E471-S475 PolarHBondContact O-OG 3.4Å; L472-S475 PolarHBondContact O-OG 3.02Å; S475-R477 PolarHBondContact O-N 3.39Å; S475-T478 PolarHBondContact O-N 2.76Å; S475-G479 PolarHBondContact O-N 3.05Å; S475-D480 PolarHBondContact O-N 3.04Å
476	C	89.9	Confident	84.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-22.4	174.7	-63.6	0	0	0	0	113.8	L472 R474 P505 Y508 A509 H514 V517	L472-C476 WeakPolarHBondContact O-CB 3.39Å; L472-C476 PolarHBondContact O-N 2.98Å; L472-C476 VanDerWaalsContact O-N 3.13Å; L472-C476 PolarHBondContact O-SG 3.42Å; R474-C476 PolarHBondContact O-N 2.82Å; C476-P505 HydrophobicContact CB-CB 4.18Å; C476-P505 WeakPolarHBondContact CB-O 3.48Å; C476-Y508 CarbonylContact O-C 3.42Å; C476-A509 HydrophobicContact CB-CB 4.47Å; C476-A509 VanDerWaalsContact O-CA 3.27Å; C476-A509 WeakPolarHBondContact O-CA 3.49Å; C476-A509 PolarHBondContact O-N 3.49Å; C476-H514 PolarHBondContact O-CD2 2.97Å; C476-V517 HydrophobicContact CB-CG1 4.2Å
477	R	87.6	Confident	85.7	Confident	114 Å²	114	58.4 Å²	58.4	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-86.6	-28.6	174.3	-167.8	-175.1	-63	170.3	2.1	112.4	F473 R474 S475 Y508 H514	F473-R477 WeakPolarHBondContact O-CB 3.32Å; F473-R477 PolarHBondContact O-N 2.97Å; R474-R477 CarbonylContact O-C 3.39Å; R474-R477 WeakPolarHBondContact O-CA 3.35Å; R474-R477 WeakPolarHBondContact O-CB 3.23Å; R474-R477 PolarHBondContact O-N 3.44Å; S475-R477 PolarHBondContact O-N 3.39Å; R477-Y508 HydrophobicContact CG-CD1 4.29Å; R477-Y508 PolarHBondContact NH2-OH 2.99Å; R477-H514 PolarHBondContact O-NE2 3.47Å
478	T	88.7	Confident	86.3	Confident	77 Å²	77	54.6 Å²	54.6	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-98.2	-9.1	-177	56.4	0	0	0	0	115	R474 S475 D480	R474-T478 HydrophobicContact CG-CG2 4.38Å; R474-T478 PolarHBondContact NH1-OG1 3.14Å; R474-T478 PolarHBondContact O-N 2.96Å; R474-T478 PolarHBondContact O-OG1 3.44Å; R474-T478 VanDerWaalsContact O-OG1 3.12Å; S475-T478 PolarHBondContact O-N 2.76Å; T478-D480 WeakPolarHBondContact OG1-CB 3.23Å
479	G	88.9	Confident	86.5	Confident	23 Å²	23	58.2 Å²	58.2	24%	0.237	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	23.2	-174.4	0	0	0	0	0	113	S475 M481 H514	S475-G479 PolarHBondContact O-N 3.05Å; G479-M481 VanDerWaalsContact C-N 3.33Å; G479-M481 PolarHBondContact O-N 3.48Å; G479-H514 PolarHBondContact N-CD2 3.25Å; G479-H514 PolarHBondContact N-NE2 3.12Å
480	D	90.3	Very high	86.2	Confident	48 Å²	48	63.3 Å²	63.3	26%	0.257	29%	0.292	S	S	.	.			trans	-84.3	76.2	-172	-173	-11.2	0	0	0	110	R474 S475 T478 E482 K483 L484	R474-D480 IonicContact CZ-OD2 3.9Å; R474-D480 IonicContact NH1-OD2 2.9Å; R474-D480 PolarHBondContact NH1-OD2 3.08Å; R474-D480 IonicContact NH2-OD2 2.83Å; R474-D480 PolarHBondContact NH2-OD2 3.47Å; S475-D480 PolarHBondContact O-N 3.04Å; T478-D480 WeakPolarHBondContact OG1-CB 3.23Å; D480-E482 PolarHBondContact O-N 3.46Å; D480-K483 HydrophobicContact CB-CB 4.24Å; D480-K483 PolarHBondContact O-N 3.36Å; D480-K483 WeakPolarHBondContact OD1-CB 3.5Å; D480-K483 PolarHBondContact OD1-N 3.43Å; D480-K483 VanDerWaalsContact OD1-N 3.16Å; D480-K483 WeakPolarHBondContact OD2-CB 3.5Å; D480-L484 WeakPolarHBondContact O-CB 3.48Å; D480-L484 PolarHBondContact O-N 3.03Å
481	M	89	Confident	85.7	Confident	35 Å²	35	60.5 Å²	60.5	17%	0.172	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-35.4	-174.1	-88.2	-63	-76	0	0	113.8	G479 L484 R485 D516 V517 Y520	G479-M481 VanDerWaalsContact C-N 3.33Å; G479-M481 PolarHBondContact O-N 3.48Å; M481-L484 PolarHBondContact O-N 2.93Å; M481-L484 HydrophobicContact SD-CD2 3.98Å; M481-R485 WeakPolarHBondContact O-CB 2.9Å; M481-R485 WeakPolarHBondContact O-CG 3.4Å; M481-R485 PolarHBondContact O-N 3.3Å; M481-D516 HydrophobicContact CG-CB 4.35Å; M481-D516 WeakPolarHBondContact CG-OD2 3.45Å; M481-V517 HydrophobicContact CG-CG2 3.91Å; M481-V517 HydrophobicContact SD-CB 4.28Å; M481-V517 HydrophobicContact SD-CG2 3.65Å; M481-Y520 HydrophobicContact CE-CD1 4.32Å; M481-Y520 HydrophobicContact CE-CG 3.98Å; M481-Y520 HydrophobicContact SD-CD1 4.48Å
482	E	86.5	Confident	85	Confident	172 Å²	172	64.3 Å²	64.3	80%	0.804	29%	0.294	S	S	*	.	H	α-helix	trans	-65.7	-46.8	175.2	-67.5	-168.2	164.3	0	0	111	D480 L484 R485 Y486	D480-E482 PolarHBondContact O-N 3.46Å; E482-L484 VanDerWaalsContact C-N 3.32Å; E482-L484 PolarHBondContact O-N 2.98Å; E482-R485 PolarHBondContact O-N 3.07Å; E482-Y486 WeakPolarHBondContact O-CB 3.49Å; E482-Y486 PolarHBondContact O-N 3.25Å
483	K	87.8	Confident	84.5	Confident	71 Å²	71	65.1 Å²	65.1	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-37.3	177	-165.4	67.1	172.2	-170.9	0	111.9	E471 D480 Y486 L487	E471-K483 HydrophobicContact CG-CD 4.43Å; E471-K483 HydrophobicContact CG-CG 4.03Å; E471-K483 WeakPolarHBondContact OE1-CE 3.29Å; D480-K483 HydrophobicContact CB-CB 4.24Å; D480-K483 PolarHBondContact O-N 3.36Å; D480-K483 WeakPolarHBondContact OD1-CB 3.5Å; D480-K483 PolarHBondContact OD1-N 3.43Å; D480-K483 VanDerWaalsContact OD1-N 3.16Å; D480-K483 WeakPolarHBondContact OD2-CB 3.5Å; K483-Y486 HydrophobicContact CD-CD1 4.49Å; K483-Y486 PolarHBondContact O-N 2.99Å; K483-L487 HydrophobicContact CG-CD1 4.2Å; K483-L487 WeakPolarHBondContact O-CB 3.41Å; K483-L487 WeakPolarHBondContact O-CD1 3.31Å; K483-L487 WeakPolarHBondContact O-CG 3.32Å; K483-L487 PolarHBondContact O-N 2.94Å
484	L	89.9	Confident	83.7	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-50.2	174.9	-179.6	58.2	0	0	0	111.5	L472 D480 M481 E482 Y486 L487 V488 V517 Y520 L521	L472-L484 HydrophobicContact CD1-CD1 3.47Å; L472-L484 VanDerWaalsContact CD1-CD1 3.47Å; D480-L484 WeakPolarHBondContact O-CB 3.48Å; D480-L484 PolarHBondContact O-N 3.03Å; M481-L484 PolarHBondContact O-N 2.93Å; M481-L484 HydrophobicContact SD-CD2 3.98Å; E482-L484 VanDerWaalsContact C-N 3.32Å; E482-L484 PolarHBondContact O-N 2.98Å; L484-Y486 PolarHBondContact O-N 3.25Å; L484-L487 PolarHBondContact O-N 2.97Å; L484-V488 HydrophobicContact CD1-CG2 4.06Å; L484-V488 VanDerWaalsContact O-CG2 3.31Å; L484-V488 WeakPolarHBondContact O-CG2 3.44Å; L484-V488 PolarHBondContact O-N 3.39Å; L484-V517 HydrophobicContact CD2-CB 4.29Å; L484-V517 HydrophobicContact CD2-CG1 3.68Å; L484-V517 HydrophobicContact CD2-CG2 4.14Å; L484-Y520 HydrophobicContact CD2-CD1 3.79Å; L484-Y520 HydrophobicContact CD2-CE1 4.28Å; L484-Y520 HydrophobicContact CG-CD1 4.03Å; L484-Y520 HydrophobicContact CG-CE1 3.99Å; L484-L521 HydrophobicContact CD1-CD2 4.42Å; L484-L521 HydrophobicContact CD2-CG 4.46Å
485	R	87.6	Confident	83.3	Confident	105 Å²	105	62.9 Å²	62.9	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-57.4	-48.9	175.2	-75.1	-176.5	178.3	-81.3	1.9	111.6	M481 E482 L487 V488 E489 Y520	M481-R485 WeakPolarHBondContact O-CB 2.9Å; M481-R485 WeakPolarHBondContact O-CG 3.4Å; M481-R485 PolarHBondContact O-N 3.3Å; E482-R485 PolarHBondContact O-N 3.07Å; R485-L487 VanDerWaalsContact C-N 3.31Å; R485-L487 PolarHBondContact O-N 3.43Å; R485-V488 PolarHBondContact O-N 3.15Å; R485-V488 VanDerWaalsContact O-N 3.1Å; R485-E489 IonicContact CZ-OE1 3.91Å; R485-E489 IonicContact NH1-OE1 3.99Å; R485-E489 PolarHBondContact NH1-OE1 2.85Å; R485-E489 VanDerWaalsContact O-CB 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 WeakPolarHBondContact O-CG 3.21Å; R485-E489 PolarHBondContact O-N 3.4Å; R485-Y520 HydrophobicContact CG-CE1 4.21Å; R485-Y520 HydrophobicContact CG-CE2 4.34Å
486	Y	84.1	Confident	82.4	Confident	98 Å²	98	65.2 Å²	65.2	38%	0.384	31%	0.306	S	S	.	.	I	π-helix	trans	-55.8	-42.3	176.2	174.5	-99.7	0	0	0	113	E482 K483 L484 E490 R491	E482-Y486 WeakPolarHBondContact O-CB 3.49Å; E482-Y486 PolarHBondContact O-N 3.25Å; K483-Y486 HydrophobicContact CD-CD1 4.49Å; K483-Y486 PolarHBondContact O-N 2.99Å; L484-Y486 PolarHBondContact O-N 3.25Å; Y486-E490 HydrophobicContact CD2-CB 3.9Å; Y486-E490 HydrophobicContact CD2-CG 4.04Å; Y486-E490 HydrophobicContact CE2-CB 3.99Å; Y486-E490 HydrophobicContact CE2-CG 4.4Å; Y486-E490 WeakPolarHBondContact O-CB 3.3Å; Y486-E490 PolarHBondContact O-N 3.38Å; Y486-R491 HydrophobicContact CE1-CG 3.98Å; Y486-R491 PolarHBondContact O-N 3.18Å; Y486-R491 VanDerWaalsContact O-N 3.1Å; Y486-R491 PolarHBondContact OH-NE 3.49Å; Y486-R491 VanDerWaalsContact OH-NE 3.1Å
487	L	82.7	Confident	81.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	31%	0.312	C	S	.	.	I	π-helix	trans	-66	-38.9	177.1	-71.7	164.6	0	0	0	112.4	D468 E471 L472 K483 L484 R485 R491 E492 V493	D468-L487 HydrophobicContact CB-CD2 4.21Å; E471-L487 HydrophobicContact CB-CD1 4.18Å; E471-L487 HydrophobicContact CB-CD2 4.45Å; E471-L487 HydrophobicContact CG-CD1 4.01Å; L472-L487 HydrophobicContact CB-CD1 4.07Å; K483-L487 HydrophobicContact CG-CD1 4.2Å; K483-L487 WeakPolarHBondContact O-CB 3.41Å; K483-L487 WeakPolarHBondContact O-CD1 3.31Å; K483-L487 WeakPolarHBondContact O-CG 3.32Å; K483-L487 PolarHBondContact O-N 2.94Å; L484-L487 PolarHBondContact O-N 2.97Å; R485-L487 VanDerWaalsContact C-N 3.31Å; R485-L487 PolarHBondContact O-N 3.43Å; L487-R491 CarbonylContact O-C 3.55Å; L487-R491 WeakPolarHBondContact O-CB 3.42Å; L487-E492 PolarHBondContact O-N 2.83Å; L487-V493 HydrophobicContact CB-CB 4.32Å; L487-V493 HydrophobicContact CB-CG2 4.17Å; L487-V493 HydrophobicContact CD2-CG2 4.1Å; L487-V493 VanDerWaalsContact O-CB 3.25Å; L487-V493 WeakPolarHBondContact O-CB 3.44Å; L487-V493 WeakPolarHBondContact O-CG2 3.28Å; L487-V493 PolarHBondContact O-N 2.89Å
488	V	81.3	Confident	80.8	Confident	24 Å²	24	67.5 Å²	67.5	15%	0.145	32%	0.317	C	S	.	.	I	π-helix	trans	-81.9	-48.6	-176	178.2	0	0	0	0	112.8	L484 R485 E492 V495 Y520 L524	L484-V488 HydrophobicContact CD1-CG2 4.06Å; L484-V488 VanDerWaalsContact O-CG2 3.31Å; L484-V488 WeakPolarHBondContact O-CG2 3.44Å; L484-V488 PolarHBondContact O-N 3.39Å; R485-V488 PolarHBondContact O-N 3.15Å; R485-V488 VanDerWaalsContact O-N 3.1Å; V488-E492 WeakPolarHBondContact O-CA 3.5Å; V488-V495 HydrophobicContact CB-CG1 4.47Å; V488-V495 HydrophobicContact CG2-CG1 3.22Å; V488-Y520 HydrophobicContact CB-CE1 4.46Å; V488-Y520 HydrophobicContact CG2-CE1 4.28Å; V488-L524 HydrophobicContact CG1-CD1 3.74Å; V488-L524 HydrophobicContact CG1-CD2 3.79Å; V488-L524 HydrophobicContact CG1-CG 4.44Å; V488-L524 HydrophobicContact CG2-CD1 4.2Å
489	E	81.2	Confident	80.2	Confident	103 Å²	103	65.4 Å²	65.4	48%	0.481	30%	0.303	S	S	.	.	I	π-helix	trans	-83.1	-42.4	-169.6	-60.6	170.7	-173.2	0	0	110.7	R485 Y520	R485-E489 IonicContact CZ-OE1 3.91Å; R485-E489 IonicContact NH1-OE1 3.99Å; R485-E489 PolarHBondContact NH1-OE1 2.85Å; R485-E489 VanDerWaalsContact O-CB 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 WeakPolarHBondContact O-CG 3.21Å; R485-E489 PolarHBondContact O-N 3.4Å; E489-Y520 WeakPolarHBondContact CG-OH 3.43Å; E489-Y520 PolarHBondContact OE1-OH 3.06Å
490	E	75	Confident	79.2	Confident	146 Å²	146	72 Å²	72	68%	0.682	33%	0.326	S	S	*	.	I	π-helix	trans	-99.8	-34.3	-176.1	-62.2	-69	146.2	0	0	113.9	Y486	Y486-E490 HydrophobicContact CD2-CB 3.9Å; Y486-E490 HydrophobicContact CD2-CG 4.04Å; Y486-E490 HydrophobicContact CE2-CB 3.99Å; Y486-E490 HydrophobicContact CE2-CG 4.4Å; Y486-E490 WeakPolarHBondContact O-CB 3.3Å; Y486-E490 PolarHBondContact O-N 3.38Å
491	R	70	Confident	78.2	Confident	83 Å²	83	77.8 Å²	77.8	31%	0.313	34%	0.344	S	S	.	.	S	Bend	trans	-99.5	3.7	177.9	-68.6	-165.4	168.5	-135.8	-12.6	114.9	E447 D468 Y486 L487 V493	E447-R491 IonicContact OE1-CZ 2.63Å; E447-R491 IonicContact OE1-NH1 2.63Å; E447-R491 IonicContact OE1-NH2 3.81Å; E447-R491 PolarHBondContact OE1-NH2 3.15Å; D468-R491 VanDerWaalsContact OD1-CD 3.24Å; D468-R491 WeakPolarHBondContact OD1-CD 3.38Å; D468-R491 IonicContact OD1-CZ 2.69Å; D468-R491 IonicContact OD1-NE 2.71Å; D468-R491 IonicContact OD1-NH1 2.64Å; D468-R491 PolarHBondContact OD1-NH1 3.31Å; D468-R491 IonicContact OD2-NH1 2.76Å; D468-R491 PolarHBondContact OD2-NH1 3.45Å; Y486-R491 HydrophobicContact CE1-CG 3.98Å; Y486-R491 PolarHBondContact O-N 3.18Å; Y486-R491 VanDerWaalsContact O-N 3.1Å; Y486-R491 PolarHBondContact OH-NE 3.49Å; Y486-R491 VanDerWaalsContact OH-NE 3.1Å; L487-R491 CarbonylContact O-C 3.55Å; L487-R491 WeakPolarHBondContact O-CB 3.42Å; R491-V493 HydrophobicContact CB-CG2 3.71Å; R491-V493 PolarHBondContact O-N 3.28Å; R491-V493 VanDerWaalsContact O-N 3.08Å
492	E	71.4	Confident	76.8	Confident	130 Å²	130	81.1 Å²	81.1	61%	0.607	36%	0.362	S	S	*	.			trans	52.3	26.3	179.5	-58.2	-170	135.1	0	0	114.8	L487 V488 M494	L487-E492 PolarHBondContact O-N 2.83Å; V488-E492 WeakPolarHBondContact O-CA 3.5Å; E492-M494 PolarHBondContact O-N 2.88Å
493	V	76.8	Confident	76.2	Confident	17 Å²	17	73.8 Å²	73.8	10%	0.103	33%	0.33	C	S	.	.			trans	-69.6	132.9	-169.4	-176.3	0	0	0	0	111.5	D468 L469 L472 L487 R491 V495	D468-V493 HydrophobicContact CB-CG1 4.47Å; D468-V493 HydrophobicContact CB-CG2 3.77Å; L469-V493 HydrophobicContact CD2-CG1 3.68Å; L472-V493 HydrophobicContact CB-CG1 4.33Å; L472-V493 HydrophobicContact CD2-CG1 3.76Å; L487-V493 HydrophobicContact CB-CB 4.32Å; L487-V493 HydrophobicContact CB-CG2 4.17Å; L487-V493 HydrophobicContact CD2-CG2 4.1Å; L487-V493 VanDerWaalsContact O-CB 3.25Å; L487-V493 WeakPolarHBondContact O-CB 3.44Å; L487-V493 WeakPolarHBondContact O-CG2 3.28Å; L487-V493 PolarHBondContact O-N 2.89Å; R491-V493 HydrophobicContact CB-CG2 3.71Å; R491-V493 PolarHBondContact O-N 3.28Å; R491-V493 VanDerWaalsContact O-N 3.08Å; V493-V495 PolarHBondContact O-N 3.02Å
494	M	71.9	Confident	76	Confident	63 Å²	63	72 Å²	72	31%	0.31	33%	0.325	S	S	.	.			trans	-69	99.4	-177.2	-66	-179.1	179.8	0	0	112.4	E492 N496 V497 P538 V540	E492-M494 PolarHBondContact O-N 2.88Å; M494-N496 PolarHBondContact O-N 3.28Å; M494-N496 VanDerWaalsContact O-N 3.1Å; M494-V497 HydrophobicContact CB-CG1 4.03Å; M494-V497 WeakPolarHBondContact O-CG1 3.14Å; M494-V497 PolarHBondContact O-N 3.13Å; M494-P538 HydrophobicContact CE-CB 3.96Å; M494-P538 HydrophobicContact CE-CG 4Å; M494-P538 WeakPolarHBondContact CE-O 3.2Å; M494-V540 HydrophobicContact CE-CG2 4.15Å; M494-V540 HydrophobicContact SD-CB 4.13Å; M494-V540 HydrophobicContact SD-CG2 3.57Å; M494-V540 VanDerWaalsContact SD-CG2 3.57Å
495	V	79	Confident	75.7	Confident	10 Å²	10	72 Å²	72	6%	0.061	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.6	-179.4	-54.7	0	0	0	0	116	L472 V488 V493 P505 L521 L524 F541	L472-V495 HydrophobicContact CD1-CB 4.4Å; L472-V495 HydrophobicContact CD1-CG1 3.85Å; L472-V495 HydrophobicContact CD2-CG1 4.39Å; V488-V495 HydrophobicContact CB-CG1 4.47Å; V488-V495 HydrophobicContact CG2-CG1 3.22Å; V493-V495 PolarHBondContact O-N 3.02Å; V495-P505 WeakPolarHBondContact O-CD 3.04Å; V495-P505 VanDerWaalsContact O-CG 3.3Å; V495-P505 WeakPolarHBondContact O-CG 3.08Å; V495-L521 HydrophobicContact CB-CD2 3.64Å; V495-L521 HydrophobicContact CG1-CD2 3.95Å; V495-L521 HydrophobicContact CG2-CD2 3.85Å; V495-L524 HydrophobicContact CG1-CD1 4.41Å; V495-L524 HydrophobicContact CG2-CB 4.5Å; V495-L524 HydrophobicContact CG2-CD1 4.09Å; V495-F541 HydrophobicContact CB-CE2 4.46Å; V495-F541 HydrophobicContact CB-CZ 4.38Å; V495-F541 HydrophobicContact CG2-CE2 3.49Å; V495-F541 VanDerWaalsContact CG2-CE2 3.49Å; V495-F541 HydrophobicContact CG2-CZ 3.75Å; V495-F541 VanDerWaalsContact O-CZ 3.26Å; V495-F541 WeakPolarHBondContact O-CZ 3.26Å
496	N	71.2	Confident	75.6	Confident	49 Å²	49	69 Å²	69	26%	0.262	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	26.4	-175.9	-89.8	-124.1	0	0	0	111.1	M494 F541	M494-N496 PolarHBondContact O-N 3.28Å; M494-N496 VanDerWaalsContact O-N 3.1Å; N496-F541 VanDerWaalsContact CA-CD1 3.42Å; N496-F541 HydrophobicContact CB-CB 3.63Å; N496-F541 HydrophobicContact CB-CD1 2.31Å; N496-F541 HydrophobicContact CB-CD2 2.32Å; N496-F541 HydrophobicContact CB-CE1 2.31Å; N496-F541 HydrophobicContact CB-CE2 2.3Å; N496-F541 HydrophobicContact CB-CG 2.31Å; N496-F541 HydrophobicContact CB-CZ 2.31Å; N496-F541 WeakPolarHBondContact ND2-CD2 3.45Å; N496-F541 WeakPolarHBondContact ND2-CE1 3.35Å; N496-F541 WeakPolarHBondContact ND2-CE2 3.45Å; N496-F541 WeakPolarHBondContact ND2-CZ 3.45Å; N496-F541 WeakPolarHBondContact OD1-CB 3.08Å; N496-F541 WeakPolarHBondContact OD1-CD1 3.45Å; N496-F541 WeakPolarHBondContact OD1-CD2 3.28Å; N496-F541 WeakPolarHBondContact OD1-CE1 3.38Å; N496-F541 WeakPolarHBondContact OD1-CE2 3.31Å; N496-F541 WeakPolarHBondContact OD1-CG 3.27Å; N496-F541 WeakPolarHBondContact OD1-CZ 3.22Å
497	V	72.9	Confident	75.5	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.121	32%	0.319	C	S	.	.			trans	-71.7	170.1	168.3	-71.2	0	0	0	0	113.2	L469 L472 F473 M494 P505	L469-V497 HydrophobicContact CD1-CG1 4.13Å; L469-V497 HydrophobicContact CD2-CB 4.31Å; L469-V497 HydrophobicContact CD2-CG1 3.66Å; L469-V497 HydrophobicContact CD2-CG2 3.84Å; L472-V497 HydrophobicContact CD2-CG2 4.2Å; F473-V497 HydrophobicContact CE2-CG2 3.68Å; F473-V497 HydrophobicContact CZ-CG2 3.77Å; M494-V497 HydrophobicContact CB-CG1 4.03Å; M494-V497 WeakPolarHBondContact O-CG1 3.14Å; M494-V497 PolarHBondContact O-N 3.13Å; V497-P505 HydrophobicContact CG2-CG 3.94Å; V497-P505 VanDerWaalsContact O-CD 3.3Å; V497-P505 WeakPolarHBondContact O-CD 3.18Å
498	R	70.4	Confident	75.6	Confident	142 Å²	142	70.8 Å²	70.8	54%	0.536	32%	0.323	S	S	.	.			trans	-125.9	148.5	165.3	-62.9	-176.3	-178.5	-169.6	-10.8	110.9	D502 S503 T504	R498-D502 WeakPolarHBondContact CD-O 3.32Å; R498-D502 WeakPolarHBondContact CD-OD1 3.45Å; R498-D502 IonicContact CZ-OD1 3.9Å; R498-D502 IonicContact CZ-OD2 3.47Å; R498-D502 IonicContact NE-OD1 3.21Å; R498-D502 IonicContact NH1-OD1 3.74Å; R498-D502 PolarHBondContact NH1-OD1 2.61Å; R498-D502 IonicContact NH1-OD2 2.74Å; R498-D502 PolarHBondContact NH1-OD2 3.13Å; R498-S503 VanDerWaalsContact CA-O 3.29Å; R498-S503 WeakPolarHBondContact CA-O 3.29Å; R498-T504 HydrophobicContact CG-CG2 3.88Å
499	D	75.7	Confident	75.9	Confident	34 Å²	34	69.6 Å²	69.6	18%	0.182	32%	0.317	C	S	.	.			trans	-88	-171.1	173.6	67.5	16.3	0	0	0	112.6	F473 W501 D502 S503 Y508	F473-D499 HydrophobicContact CD2-CB 4.48Å; F473-D499 HydrophobicContact CE1-CB 4.13Å; F473-D499 HydrophobicContact CE2-CB 3.9Å; F473-D499 HydrophobicContact CZ-CB 3.71Å; D499-W501 HydrophobicContact CB-CE3 4.45Å; D499-W501 PolarHBondContact O-N 3.05Å; D499-W501 VanDerWaalsContact O-N 3.16Å; D499-W501 VanDerWaalsContact OD1-CA 3.31Å; D499-W501 WeakPolarHBondContact OD1-CA 3.35Å; D499-W501 WeakPolarHBondContact OD1-CB 3.47Å; D499-W501 PolarHBondContact OD1-N 2.69Å; D499-D502 PolarHBondContact O-N 3.4Å; D499-D502 VanDerWaalsContact O-N 3.15Å; D499-D502 PolarHBondContact OD1-N 3.06Å; D499-S503 PolarHBondContact N-O 3.46Å; D499-S503 WeakPolarHBondContact OD1-CB 3.3Å; D499-S503 PolarHBondContact OD1-N 3.31Å; D499-Y508 WeakPolarHBondContact OD2-CE2 3.45Å; D499-Y508 PolarHBondContact OD2-OH 3.24Å; D499-Y508 VanDerWaalsContact OD2-OH 3.14Å
500	K	68	Low	76	Confident	162 Å²	162	68.4 Å²	68.4	70%	0.704	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-0.4	178.3	66.7	-173.4	176.1	-171.4	0	114.9
501	W	70.2	Confident	76.2	Confident	168 Å²	168	66.5 Å²	66.5	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	19.4	174.1	-59.1	-80.4	0	0	0	111.5	D499 S503	D499-W501 HydrophobicContact CB-CE3 4.45Å; D499-W501 PolarHBondContact O-N 3.05Å; D499-W501 VanDerWaalsContact O-N 3.16Å; D499-W501 VanDerWaalsContact OD1-CA 3.31Å; D499-W501 WeakPolarHBondContact OD1-CA 3.35Å; D499-W501 WeakPolarHBondContact OD1-CB 3.47Å; D499-W501 PolarHBondContact OD1-N 2.69Å; W501-S503 PolarHBondContact O-N 3.09Å; W501-S503 VanDerWaalsContact O-N 3.08Å; W501-S503 PolarHBondContact O-OG 3.4Å
502	D	60	Low	76.9	Confident	106 Å²	106	65.3 Å²	65.3	57%	0.567	32%	0.316	S	S	*	.	S	Bend	trans	59	13.8	-176.8	-152.6	46.8	0	0	0	114.2	R498 D499	R498-D502 WeakPolarHBondContact CD-O 3.32Å; R498-D502 WeakPolarHBondContact CD-OD1 3.45Å; R498-D502 IonicContact CZ-OD1 3.9Å; R498-D502 IonicContact CZ-OD2 3.47Å; R498-D502 IonicContact NE-OD1 3.21Å; R498-D502 IonicContact NH1-OD1 3.74Å; R498-D502 PolarHBondContact NH1-OD1 2.61Å; R498-D502 IonicContact NH1-OD2 2.74Å; R498-D502 PolarHBondContact NH1-OD2 3.13Å; D499-D502 PolarHBondContact O-N 3.4Å; D499-D502 VanDerWaalsContact O-N 3.15Å; D499-D502 PolarHBondContact OD1-N 3.06Å
503	S	72.8	Confident	77.5	Confident	17 Å²	17	62 Å²	62	12%	0.119	32%	0.317	C	S	.	.			trans	-89.9	139.3	-174.4	-64.5	0	0	0	0	111.4	F473 R498 D499 W501	F473-S503 WeakPolarHBondContact CE1-O 3.23Å; F473-S503 WeakPolarHBondContact CZ-O 3.36Å; R498-S503 VanDerWaalsContact CA-O 3.29Å; R498-S503 WeakPolarHBondContact CA-O 3.29Å; D499-S503 PolarHBondContact N-O 3.46Å; D499-S503 WeakPolarHBondContact OD1-CB 3.3Å; D499-S503 PolarHBondContact OD1-N 3.31Å; W501-S503 PolarHBondContact O-N 3.09Å; W501-S503 VanDerWaalsContact O-N 3.08Å; W501-S503 PolarHBondContact O-OG 3.4Å
504	T	83.1	Confident	78.1	Confident	34 Å²	34	63.3 Å²	63.3	21%	0.209	32%	0.322	C	S	.	.			trans	-94.3	161.8	178.8	59.1	0	0	0	0	111.9	R498 L506 Y507 Y508	R498-T504 HydrophobicContact CG-CG2 3.88Å; T504-L506 PolarHBondContact O-N 2.99Å; T504-Y507 WeakPolarHBondContact O-CB 3.43Å; T504-Y507 PolarHBondContact O-N 2.83Å; T504-Y507 WeakPolarHBondContact OG1-CB 3.39Å; T504-Y507 PolarHBondContact OG1-N 3.21Å; T504-Y508 WeakPolarHBondContact O-CD2 3.44Å; T504-Y508 PolarHBondContact O-N 3.08Å
505	P	85.1	Confident	78.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-38.8	170.8	-27	36.2	0	0	0	112.3	L472 F473 C476 V495 V497 Y507 Y508 A509	L472-P505 HydrophobicContact CD1-CB 4.25Å; L472-P505 HydrophobicContact CD1-CG 4.45Å; L472-P505 HydrophobicContact CD2-CG 3.88Å; L472-P505 HydrophobicContact CG-CB 4.17Å; L472-P505 HydrophobicContact CG-CG 3.92Å; F473-P505 HydrophobicContact CD1-CG 4.09Å; F473-P505 HydrophobicContact CE1-CG 3.77Å; F473-P505 HydrophobicContact CZ-CG 4.02Å; C476-P505 HydrophobicContact CB-CB 4.18Å; C476-P505 WeakPolarHBondContact CB-O 3.48Å; V495-P505 WeakPolarHBondContact O-CD 3.04Å; V495-P505 VanDerWaalsContact O-CG 3.3Å; V495-P505 WeakPolarHBondContact O-CG 3.08Å; V497-P505 HydrophobicContact CG2-CG 3.94Å; V497-P505 VanDerWaalsContact O-CD 3.3Å; V497-P505 WeakPolarHBondContact O-CD 3.18Å; P505-Y507 VanDerWaalsContact C-N 3.34Å; P505-Y507 PolarHBondContact O-N 2.94Å; P505-Y508 PolarHBondContact O-N 3.22Å; P505-A509 PolarHBondContact O-N 2.87Å
506	L	84.6	Confident	79	Confident	42 Å²	42	71.5 Å²	71.5	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-38.7	173	-178.8	64.4	0	0	0	112.6	T504 Y508 A509 C510 V518 L521 L522	T504-L506 PolarHBondContact O-N 2.99Å; L506-Y508 VanDerWaalsContact C-N 3.33Å; L506-Y508 PolarHBondContact O-N 3.24Å; L506-A509 PolarHBondContact O-N 2.91Å; L506-C510 PolarHBondContact O-N 2.82Å; L506-C510 PolarHBondContact O-SG 2.9Å; L506-V518 HydrophobicContact CD1-CB 4.46Å; L506-V518 HydrophobicContact CD1-CG1 4.16Å; L506-V518 HydrophobicContact CD1-CG2 4.33Å; L506-L521 HydrophobicContact CB-CD1 4.18Å; L506-L521 HydrophobicContact CD1-CB 3.97Å; L506-L521 HydrophobicContact CD1-CD1 4.19Å; L506-L522 HydrophobicContact CD1-CD2 4.5Å; L506-L522 HydrophobicContact CD1-CG 4.36Å; L506-L522 HydrophobicContact CD2-CD2 4.04Å
507	Y	81.7	Confident	79.9	Confident	113 Å²	113	69.2 Å²	69.2	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-40.9	174.4	168.3	-92.3	0	0	0	111.8	T504 P505 L511	T504-Y507 WeakPolarHBondContact O-CB 3.43Å; T504-Y507 PolarHBondContact O-N 2.83Å; T504-Y507 WeakPolarHBondContact OG1-CB 3.39Å; T504-Y507 PolarHBondContact OG1-N 3.21Å; P505-Y507 VanDerWaalsContact C-N 3.34Å; P505-Y507 PolarHBondContact O-N 2.94Å; Y507-L511 HydrophobicContact CE1-CD2 3.78Å; Y507-L511 WeakPolarHBondContact O-CB 3.17Å; Y507-L511 PolarHBondContact O-N 3.26Å
508	Y	85.7	Confident	80.5	Confident	23 Å²	23	69.4 Å²	69.4	9%	0.09	34%	0.344	C	S	.	.	H	α-helix	trans	-68.8	-36.6	175.4	-76.9	-69.6	0	0	0	113.3	F473 C476 R477 D499 T504 P505 L506 L511 C512	F473-Y508 AromaticContact CD1-CD2 3.6Å; F473-Y508 HydrophobicContact CD1-CD2 3.6Å; F473-Y508 AromaticContact CD1-CE2 3.75Å; F473-Y508 HydrophobicContact CD1-CE2 3.75Å; F473-Y508 HydrophobicContact CE1-CD2 4.02Å; F473-Y508 HydrophobicContact CE1-CE2 4.04Å; C476-Y508 CarbonylContact O-C 3.42Å; R477-Y508 HydrophobicContact CG-CD1 4.29Å; R477-Y508 PolarHBondContact NH2-OH 2.99Å; D499-Y508 WeakPolarHBondContact OD2-CE2 3.45Å; D499-Y508 PolarHBondContact OD2-OH 3.24Å; D499-Y508 VanDerWaalsContact OD2-OH 3.14Å; T504-Y508 WeakPolarHBondContact O-CD2 3.44Å; T504-Y508 PolarHBondContact O-N 3.08Å; P505-Y508 PolarHBondContact O-N 3.22Å; L506-Y508 VanDerWaalsContact C-N 3.33Å; L506-Y508 PolarHBondContact O-N 3.24Å; Y508-L511 HydrophobicContact CD1-CD2 4.37Å; Y508-L511 PolarHBondContact O-N 3.33Å; Y508-C512 WeakPolarHBondContact O-CB 3.46Å; Y508-C512 PolarHBondContact O-N 3.49Å
509	A	87.6	Confident	81.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-49	174.4	0	0	0	0	0	111.6	C476 P505 L506 C512 G513 H514 V517 V518 L521	C476-A509 HydrophobicContact CB-CB 4.47Å; C476-A509 VanDerWaalsContact O-CA 3.27Å; C476-A509 WeakPolarHBondContact O-CA 3.49Å; C476-A509 PolarHBondContact O-N 3.49Å; P505-A509 PolarHBondContact O-N 2.87Å; L506-A509 PolarHBondContact O-N 2.91Å; A509-C512 PolarHBondContact O-N 3.36Å; A509-G513 PolarHBondContact O-N 3.2Å; A509-H514 PolarHBondContact O-N 2.74Å; A509-H514 VanDerWaalsContact O-N 3.07Å; A509-V517 HydrophobicContact CB-CB 4.12Å; A509-V517 HydrophobicContact CB-CG1 3.39Å; A509-V518 HydrophobicContact CB-CG2 3.6Å; A509-L521 HydrophobicContact CB-CD1 4.06Å
510	C	82.1	Confident	81.7	Confident	77 Å²	77	66.8 Å²	66.8	52%	0.52	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-44.8	175.3	-62.9	0	0	0	0	112.3	L506 C512 G513 V518	L506-C510 PolarHBondContact O-N 2.82Å; L506-C510 PolarHBondContact O-SG 2.9Å; C510-C512 PolarHBondContact O-N 2.76Å; C510-G513 PolarHBondContact O-N 3.41Å; C510-V518 HydrophobicContact CB-CG2 4.49Å
511	L	81.1	Confident	82.5	Confident	106 Å²	106	59.2 Å²	59.2	56%	0.555	30%	0.303	S	S	*	.	H	α-helix	trans	-63.4	-29	-179.2	-178.8	65.8	0	0	0	112.8	Y507 Y508	Y507-L511 HydrophobicContact CE1-CD2 3.78Å; Y507-L511 WeakPolarHBondContact O-CB 3.17Å; Y507-L511 PolarHBondContact O-N 3.26Å; Y508-L511 HydrophobicContact CD1-CD2 4.37Å; Y508-L511 PolarHBondContact O-N 3.33Å
512	C	84.7	Confident	82.9	Confident	58 Å²	58	55.5 Å²	55.5	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-100.2	-0.5	178.5	-65.3	0	0	0	0	114.1	Y508 A509 C510 H514	Y508-C512 WeakPolarHBondContact O-CB 3.46Å; Y508-C512 PolarHBondContact O-N 3.49Å; A509-C512 PolarHBondContact O-N 3.36Å; C510-C512 PolarHBondContact O-N 2.76Å; C512-H514 VanDerWaalsContact CB-CD2 3.49Å; C512-H514 WeakPolarHBondContact CB-CD2 3.49Å; C512-H514 WeakPolarHBondContact CB-NE2 3.35Å
513	G	82.3	Confident	83.7	Confident	61 Å²	61	53.6 Å²	53.6	63%	0.629	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	15	173.6	0	0	0	0	0	116	A509 C510 Y515	A509-G513 PolarHBondContact O-N 3.2Å; C510-G513 PolarHBondContact O-N 3.41Å; G513-Y515 PolarHBondContact O-N 2.94Å
514	H	89.6	Confident	83.7	Confident	44 Å²	44	55.2 Å²	55.2	20%	0.204	29%	0.292	C	S	.	.			trans	-80	84	-175.9	-58.6	-55.8	0	0	0	111.1	C476 R477 G479 A509 C512 D516 V517 V518	C476-H514 PolarHBondContact O-CD2 2.97Å; R477-H514 PolarHBondContact O-NE2 3.47Å; G479-H514 PolarHBondContact N-CD2 3.25Å; G479-H514 PolarHBondContact N-NE2 3.12Å; A509-H514 PolarHBondContact O-N 2.74Å; A509-H514 VanDerWaalsContact O-N 3.07Å; C512-H514 VanDerWaalsContact CB-CD2 3.49Å; C512-H514 WeakPolarHBondContact CB-CD2 3.49Å; C512-H514 WeakPolarHBondContact CB-NE2 3.35Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.16Å; H514-V517 HydrophobicContact CB-CB 3.85Å; H514-V517 HydrophobicContact CB-CG2 3.89Å; H514-V517 WeakPolarHBondContact O-CB 3.35Å; H514-V517 PolarHBondContact O-N 3.05Å; H514-V518 WeakPolarHBondContact O-CG2 3.37Å; H514-V518 PolarHBondContact O-N 3.41Å
515	Y	83	Confident	82.4	Confident	171 Å²	171	55 Å²	55	67%	0.671	30%	0.296	S	S	*	.	H	α-helix	trans	-57.2	-42.5	-174	-179.6	-85.8	0	0	0	113.4	G513 V518 E519	G513-Y515 PolarHBondContact O-N 2.94Å; Y515-V518 WeakPolarHBondContact O-CB 3.47Å; Y515-V518 PolarHBondContact O-N 3.12Å; Y515-E519 HydrophobicContact CE1-CB 4.39Å; Y515-E519 WeakPolarHBondContact O-CB 3.37Å; Y515-E519 PolarHBondContact O-N 3.13Å
516	D	88.1	Confident	80	Confident	75 Å²	75	59 Å²	59	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-42.6	178.2	58.5	-20.2	0	0	0	112.7	M481 H514 Y520	M481-D516 HydrophobicContact CG-CB 4.35Å; M481-D516 WeakPolarHBondContact CG-OD2 3.45Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.16Å; D516-Y520 VanDerWaalsContact O-CB 3.28Å; D516-Y520 WeakPolarHBondContact O-CB 3.27Å; D516-Y520 PolarHBondContact O-N 3.3Å
517	V	89.7	Confident	77.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-44.6	170.9	172.6	0	0	0	0	110.6	C476 M481 L484 A509 H514 Y520 L521	C476-V517 HydrophobicContact CB-CG1 4.2Å; M481-V517 HydrophobicContact CG-CG2 3.91Å; M481-V517 HydrophobicContact SD-CB 4.28Å; M481-V517 HydrophobicContact SD-CG2 3.65Å; L484-V517 HydrophobicContact CD2-CB 4.29Å; L484-V517 HydrophobicContact CD2-CG1 3.68Å; L484-V517 HydrophobicContact CD2-CG2 4.14Å; A509-V517 HydrophobicContact CB-CB 4.12Å; A509-V517 HydrophobicContact CB-CG1 3.39Å; H514-V517 HydrophobicContact CB-CB 3.85Å; H514-V517 HydrophobicContact CB-CG2 3.89Å; H514-V517 WeakPolarHBondContact O-CB 3.35Å; H514-V517 PolarHBondContact O-N 3.05Å; V517-Y520 PolarHBondContact O-N 3.32Å; V517-L521 HydrophobicContact CG1-CD1 3.71Å; V517-L521 HydrophobicContact CG1-CG 4.2Å; V517-L521 VanDerWaalsContact O-CB 3.29Å; V517-L521 WeakPolarHBondContact O-CB 3.4Å; V517-L521 WeakPolarHBondContact O-CG 3.48Å; V517-L521 PolarHBondContact O-N 3.31Å
518	V	84.7	Confident	75.5	Confident	25 Å²	25	66.3 Å²	66.3	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-48.8	179	169.2	0	0	0	0	110.8	L506 A509 C510 H514 Y515 Y520 L521 L522	L506-V518 HydrophobicContact CD1-CB 4.46Å; L506-V518 HydrophobicContact CD1-CG1 4.16Å; L506-V518 HydrophobicContact CD1-CG2 4.33Å; A509-V518 HydrophobicContact CB-CG2 3.6Å; C510-V518 HydrophobicContact CB-CG2 4.49Å; H514-V518 WeakPolarHBondContact O-CG2 3.37Å; H514-V518 PolarHBondContact O-N 3.41Å; Y515-V518 WeakPolarHBondContact O-CB 3.47Å; Y515-V518 PolarHBondContact O-N 3.12Å; V518-Y520 PolarHBondContact O-N 3.35Å; V518-L521 PolarHBondContact O-N 3.24Å; V518-L522 HydrophobicContact CG1-CD1 3.72Å; V518-L522 HydrophobicContact CG1-CG 4.33Å; V518-L522 WeakPolarHBondContact O-CB 3.41Å; V518-L522 VanDerWaalsContact O-CG 3.22Å; V518-L522 WeakPolarHBondContact O-CG 3.41Å; V518-L522 PolarHBondContact O-N 3.24Å
519	E	83.9	Confident	73	Confident	98 Å²	98	74 Å²	74	46%	0.458	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-47.8	176.5	178.4	175.2	-155	0	0	111.2	Y515 L522 N523	Y515-E519 HydrophobicContact CE1-CB 4.39Å; Y515-E519 WeakPolarHBondContact O-CB 3.37Å; Y515-E519 PolarHBondContact O-N 3.13Å; E519-L522 PolarHBondContact O-N 3.19Å; E519-N523 WeakPolarHBondContact CG-ND2 3.26Å; E519-N523 VanDerWaalsContact O-CB 3.31Å; E519-N523 WeakPolarHBondContact O-CB 3.47Å; E519-N523 PolarHBondContact O-N 3.38Å; E519-N523 PolarHBondContact O-ND2 3.46Å
520	Y	88.6	Confident	70.1	Confident	23 Å²	23	82.8 Å²	82.8	9%	0.09	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-45.3	178	-179	-112.3	0	0	0	112.2	M481 L484 R485 V488 E489 D516 V517 V518 L522 N523 L524	M481-Y520 HydrophobicContact CE-CD1 4.32Å; M481-Y520 HydrophobicContact CE-CG 3.98Å; M481-Y520 HydrophobicContact SD-CD1 4.48Å; L484-Y520 HydrophobicContact CD2-CD1 3.79Å; L484-Y520 HydrophobicContact CD2-CE1 4.28Å; L484-Y520 HydrophobicContact CG-CD1 4.03Å; L484-Y520 HydrophobicContact CG-CE1 3.99Å; R485-Y520 HydrophobicContact CG-CE1 4.21Å; R485-Y520 HydrophobicContact CG-CE2 4.34Å; V488-Y520 HydrophobicContact CB-CE1 4.46Å; V488-Y520 HydrophobicContact CG2-CE1 4.28Å; E489-Y520 WeakPolarHBondContact CG-OH 3.43Å; E489-Y520 PolarHBondContact OE1-OH 3.06Å; D516-Y520 VanDerWaalsContact O-CB 3.28Å; D516-Y520 WeakPolarHBondContact O-CB 3.27Å; D516-Y520 PolarHBondContact O-N 3.3Å; V517-Y520 PolarHBondContact O-N 3.32Å; V518-Y520 PolarHBondContact O-N 3.35Å; Y520-L522 PolarHBondContact O-N 3Å; Y520-N523 PolarHBondContact O-N 3.46Å; Y520-L524 HydrophobicContact CD1-CD1 3.91Å; Y520-L524 HydrophobicContact CE1-CD1 3.56Å; Y520-L524 HydrophobicContact CE1-CG 4.4Å; Y520-L524 HydrophobicContact CE2-CD1 4.42Å; Y520-L524 HydrophobicContact CE2-CG 4.43Å; Y520-L524 HydrophobicContact CG-CD1 4.47Å; Y520-L524 VanDerWaalsContact O-CG 3.28Å; Y520-L524 WeakPolarHBondContact O-CG 3.33Å; Y520-L524 PolarHBondContact O-N 2.89Å
521	L	84.6	Confident	67.7	Low	3 Å²	3	83.8 Å²	83.8	2%	0.016	44%	0.436	C	S	.	.	H	α-helix	trans	-65.2	-35.2	177.3	-72.7	176.2	0	0	0	113.3	L484 V495 L506 A509 V517 V518 L524 G525	L484-L521 HydrophobicContact CD1-CD2 4.42Å; L484-L521 HydrophobicContact CD2-CG 4.46Å; V495-L521 HydrophobicContact CB-CD2 3.64Å; V495-L521 HydrophobicContact CG1-CD2 3.95Å; V495-L521 HydrophobicContact CG2-CD2 3.85Å; L506-L521 HydrophobicContact CB-CD1 4.18Å; L506-L521 HydrophobicContact CD1-CB 3.97Å; L506-L521 HydrophobicContact CD1-CD1 4.19Å; A509-L521 HydrophobicContact CB-CD1 4.06Å; V517-L521 HydrophobicContact CG1-CD1 3.71Å; V517-L521 HydrophobicContact CG1-CG 4.2Å; V517-L521 VanDerWaalsContact O-CB 3.29Å; V517-L521 WeakPolarHBondContact O-CB 3.4Å; V517-L521 WeakPolarHBondContact O-CG 3.48Å; V517-L521 PolarHBondContact O-N 3.31Å; V518-L521 PolarHBondContact O-N 3.24Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L521-G525 PolarHBondContact O-N 2.96Å
522	L	78.5	Confident	65.2	Low	90 Å²	90	87.5 Å²	87.5	47%	0.471	45%	0.451	S	S	.	.	H	α-helix	trans	-70.7	-43.5	174.5	-71.7	171.8	0	0	0	111.2	L506 V518 E519 Y520 L524 G525 T526	L506-L522 HydrophobicContact CD1-CD2 4.5Å; L506-L522 HydrophobicContact CD1-CG 4.36Å; L506-L522 HydrophobicContact CD2-CD2 4.04Å; V518-L522 HydrophobicContact CG1-CD1 3.72Å; V518-L522 HydrophobicContact CG1-CG 4.33Å; V518-L522 WeakPolarHBondContact O-CB 3.41Å; V518-L522 VanDerWaalsContact O-CG 3.22Å; V518-L522 WeakPolarHBondContact O-CG 3.41Å; V518-L522 PolarHBondContact O-N 3.24Å; E519-L522 PolarHBondContact O-N 3.19Å; Y520-L522 PolarHBondContact O-N 3Å; L522-L524 VanDerWaalsContact C-N 3.32Å; L522-L524 PolarHBondContact O-N 3.25Å; L522-G525 WeakPolarHBondContact O-CA 3.49Å; L522-G525 PolarHBondContact O-N 2.76Å; L522-T526 PolarHBondContact O-N 3.33Å; L522-T526 VanDerWaalsContact O-N 3.14Å
523	N	77.2	Confident	62.7	Low	65 Å²	65	93 Å²	93	35%	0.348	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-34.3	177.2	-77.3	-34.8	0	0	0	112.5	E519 Y520 G525 T526 L527	E519-N523 WeakPolarHBondContact CG-ND2 3.26Å; E519-N523 VanDerWaalsContact O-CB 3.31Å; E519-N523 WeakPolarHBondContact O-CB 3.47Å; E519-N523 PolarHBondContact O-N 3.38Å; E519-N523 PolarHBondContact O-ND2 3.46Å; Y520-N523 PolarHBondContact O-N 3.46Å; N523-G525 PolarHBondContact O-N 2.93Å; N523-T526 WeakPolarHBondContact CA-OG1 3.41Å; N523-T526 PolarHBondContact O-N 2.99Å; N523-T526 PolarHBondContact O-OG1 2.9Å; N523-L527 HydrophobicContact CB-CD1 4.15Å; N523-L527 VanDerWaalsContact O-CB 3.3Å; N523-L527 WeakPolarHBondContact O-CB 3.4Å; N523-L527 VanDerWaalsContact O-CG 3.22Å; N523-L527 WeakPolarHBondContact O-CG 3.21Å; N523-L527 PolarHBondContact O-N 3.38Å
524	L	72.2	Confident	60.2	Low	52 Å²	52	98.6 Å²	98.6	27%	0.272	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-24.8	169.1	-72.3	167.9	0	0	0	113.4	V488 V495 Y520 L521 L522	V488-L524 HydrophobicContact CG1-CD1 3.74Å; V488-L524 HydrophobicContact CG1-CD2 3.79Å; V488-L524 HydrophobicContact CG1-CG 4.44Å; V488-L524 HydrophobicContact CG2-CD1 4.2Å; V495-L524 HydrophobicContact CG1-CD1 4.41Å; V495-L524 HydrophobicContact CG2-CB 4.5Å; V495-L524 HydrophobicContact CG2-CD1 4.09Å; Y520-L524 HydrophobicContact CD1-CD1 3.91Å; Y520-L524 HydrophobicContact CE1-CD1 3.56Å; Y520-L524 HydrophobicContact CE1-CG 4.4Å; Y520-L524 HydrophobicContact CE2-CD1 4.42Å; Y520-L524 HydrophobicContact CE2-CG 4.43Å; Y520-L524 HydrophobicContact CG-CD1 4.47Å; Y520-L524 VanDerWaalsContact O-CG 3.28Å; Y520-L524 WeakPolarHBondContact O-CG 3.33Å; Y520-L524 PolarHBondContact O-N 2.89Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L522-L524 VanDerWaalsContact C-N 3.32Å; L522-L524 PolarHBondContact O-N 3.25Å
525	G	54.6	Low	57.3	Low	28 Å²	28	99.5 Å²	99.5	29%	0.289	49%	0.486	S	S	.	.	H	α-helix	trans	-79.3	-35.4	173.4	0	0	0	0	0	113.7	L521 L522 N523	L521-G525 PolarHBondContact O-N 2.96Å; L522-G525 WeakPolarHBondContact O-CA 3.49Å; L522-G525 PolarHBondContact O-N 2.76Å; N523-G525 PolarHBondContact O-N 2.93Å
526	T	35.9	Very low	54.6	Low	84 Å²	84	98.4 Å²	98.4	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-88.4	-39.8	-176.2	56.7	0	0	0	0	113.4	L522 N523 R528	L522-T526 PolarHBondContact O-N 3.33Å; L522-T526 VanDerWaalsContact O-N 3.14Å; N523-T526 WeakPolarHBondContact CA-OG1 3.41Å; N523-T526 PolarHBondContact O-N 2.99Å; N523-T526 PolarHBondContact O-OG1 2.9Å; T526-R528 VanDerWaalsContact C-N 3.27Å; T526-R528 PolarHBondContact O-N 2.94Å
527	L	34.9	Very low	51.7	Low	120 Å²	120	96.5 Å²	96.5	63%	0.628	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-69	-18.8	-170.5	-70.4	170.2	0	0	0	114.5	N523 F529 Q530	N523-L527 HydrophobicContact CB-CD1 4.15Å; N523-L527 VanDerWaalsContact O-CB 3.3Å; N523-L527 WeakPolarHBondContact O-CB 3.4Å; N523-L527 VanDerWaalsContact O-CG 3.22Å; N523-L527 WeakPolarHBondContact O-CG 3.21Å; N523-L527 PolarHBondContact O-N 3.38Å; L527-F529 PolarHBondContact O-N 3.49Å; L527-Q530 PolarHBondContact O-N 3.18Å
528	R	36.9	Very low	49	Very low	190 Å²	190	99.8 Å²	99.8	72%	0.717	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-70.8	-0	-176.7	-117.8	178.1	-176.8	159.8	5.7	115.3	T526	T526-R528 VanDerWaalsContact C-N 3.27Å; T526-R528 PolarHBondContact O-N 2.94Å
529	F	32	Very low	46.2	Very low	185 Å²	185	104.1 Å²	104.1	81%	0.811	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-91.3	-8.8	174.8	-73.5	-83.4	0	0	0	114.8	L527	L527-F529 PolarHBondContact O-N 3.49Å
530	Q	27.7	Very low	43.7	Very low	184 Å²	184	101.5 Å²	101.5	86%	0.86	51%	0.51	S	S	*	.	S	Bend	trans	-127.3	31.8	-171.5	-67.5	-164.7	-5.6	0	0	116	L527	L527-Q530 PolarHBondContact O-N 3.18Å
531	S	30.8	Very low	40.9	Very low	97 Å²	97	104.6 Å²	104.6	68%	0.678	52%	0.524	S	S	*	.			trans	-148.9	128.9	160.7	55.7	0	0	0	0	113.3	H533	S531-H533 PolarHBondContact O-N 3.13Å
532	Q	30	Very low	38.3	Very low	185 Å²	185	109.7 Å²	109.7	86%	0.864	55%	0.552	S	S	*	*			trans	-77.5	108.9	160.9	-62.6	178.7	13.5	0	0	107.3
533	H	30.8	Very low	36.2	Very low	172 Å²	172	111.1 Å²	111.1	80%	0.796	55%	0.551	S	S	*	*			trans	175.8	169.5	146.6	-90.4	-52.2	0	0	0	110.4	S531	S531-H533 PolarHBondContact O-N 3.13Å
534	F	31.3	Very low	34	Very low	179 Å²	179	110.6 Å²	110.6	79%	0.785	56%	0.561	S	S	*	*			trans	65.2	133	177.5	-70.4	-84.7	0	0	0	118.7
535	T	27.4	Very low	32.4	Very low	64 Å²	64	115.2 Å²	115.2	39%	0.393	58%	0.578	S	S	.	*			trans	-117.1	141.1	-161.4	50.1	0	0	0	0	110.4	F661	T535-F661 HydrophobicContact CG2-CD2 4.07Å; T535-F661 HydrophobicContact CG2-CE2 3.96Å; T535-F661 WeakPolarHBondContact OG1-CE2 3.48Å
536	R	27.1	Very low	31.7	Very low	147 Å²	147	115.6 Å²	115.6	56%	0.555	57%	0.573	S	S	*	*			trans	79.8	68.9	166.9	-57.9	176.1	163.1	173.6	-5.9	117.9
537	A	27.8	Very low	32.4	Very low	36 Å²	36	112.2 Å²	112.2	30%	0.298	55%	0.553	S	S	.	*			trans	-126.8	129.7	138.6	0	0	0	0	0	108.5	N539	A537-N539 PolarHBondContact O-N 2.96Å
538	P	31.7	Very low	33.7	Very low	69 Å²	69	107.6 Å²	107.6	45%	0.448	53%	0.531	S	S	.	.			trans	-58.3	133.9	173.9	-26.2	32.9	0	0	0	112.2	M494 V540	M494-P538 HydrophobicContact CE-CB 3.96Å; M494-P538 HydrophobicContact CE-CG 4Å; M494-P538 WeakPolarHBondContact CE-O 3.2Å; P538-V540 PolarHBondContact O-N 3.03Å
539	N	26.5	Very low	35.2	Very low	116 Å²	116	101.8 Å²	101.8	62%	0.62	51%	0.512	S	S	*	.			trans	-73.9	111.3	178.9	-72.4	-40	0	0	0	110.1	A537 R543	A537-N539 PolarHBondContact O-N 2.96Å; N539-R543 PolarHBondContact O-NE 2.77Å; N539-R543 PolarHBondContact O-NH2 2.96Å; N539-R543 VanDerWaalsContact O-NH2 3.07Å
540	V	32.3	Very low	37.3	Very low	43 Å²	43	96.1 Å²	96.1	26%	0.261	49%	0.487	S	S	.	.			trans	-105.8	-23.1	-175.8	170.1	0	0	0	0	114.4	M494 P538 R543	M494-V540 HydrophobicContact CE-CG2 4.15Å; M494-V540 HydrophobicContact SD-CB 4.13Å; M494-V540 HydrophobicContact SD-CG2 3.57Å; M494-V540 VanDerWaalsContact SD-CG2 3.57Å; P538-V540 PolarHBondContact O-N 3.03Å; V540-R543 WeakPolarHBondContact O-CB 3.43Å; V540-R543 VanDerWaalsContact O-CG 3.28Å; V540-R543 WeakPolarHBondContact O-CG 3.06Å
541	F	28.8	Very low	40	Very low	88 Å²	88	87.4 Å²	87.4	39%	0.386	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-65.8	-56.5	-173.8	-94.2	-63.2	0	0	0	115.6	V495 N496 R543 G544	V495-F541 HydrophobicContact CB-CE2 4.46Å; V495-F541 HydrophobicContact CB-CZ 4.38Å; V495-F541 HydrophobicContact CG2-CE2 3.49Å; V495-F541 VanDerWaalsContact CG2-CE2 3.49Å; V495-F541 HydrophobicContact CG2-CZ 3.75Å; V495-F541 VanDerWaalsContact O-CZ 3.26Å; V495-F541 WeakPolarHBondContact O-CZ 3.26Å; N496-F541 VanDerWaalsContact CA-CD1 3.42Å; N496-F541 HydrophobicContact CB-CB 3.63Å; N496-F541 HydrophobicContact CB-CD1 2.31Å; N496-F541 HydrophobicContact CB-CD2 2.32Å; N496-F541 HydrophobicContact CB-CE1 2.31Å; N496-F541 HydrophobicContact CB-CE2 2.3Å; N496-F541 HydrophobicContact CB-CG 2.31Å; N496-F541 HydrophobicContact CB-CZ 2.31Å; N496-F541 WeakPolarHBondContact ND2-CD2 3.45Å; N496-F541 WeakPolarHBondContact ND2-CE1 3.35Å; N496-F541 WeakPolarHBondContact ND2-CE2 3.45Å; N496-F541 WeakPolarHBondContact ND2-CZ 3.45Å; N496-F541 WeakPolarHBondContact OD1-CB 3.08Å; N496-F541 WeakPolarHBondContact OD1-CD1 3.45Å; N496-F541 WeakPolarHBondContact OD1-CD2 3.28Å; N496-F541 WeakPolarHBondContact OD1-CE1 3.38Å; N496-F541 WeakPolarHBondContact OD1-CE2 3.31Å; N496-F541 WeakPolarHBondContact OD1-CG 3.27Å; N496-F541 WeakPolarHBondContact OD1-CZ 3.22Å; F541-R543 PolarHBondContact O-N 2.98Å; F541-G544 PolarHBondContact O-N 3.13Å
542	D	30.7	Very low	42.6	Very low	110 Å²	110	87 Å²	87	59%	0.588	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-72.8	10.2	-174.3	-152.6	13.6	0	0	0	113.2	G544 K545	D542-G544 PolarHBondContact O-N 3.35Å; D542-G544 VanDerWaalsContact O-N 3.11Å; D542-K545 PolarHBondContact O-N 3.42Å
543	R	32.7	Very low	45.2	Very low	119 Å²	119	84.5 Å²	84.5	45%	0.449	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-66.1	-4.8	168.9	-60.5	-175.9	-174.5	-154.5	-2.8	112.9	N539 V540 F541 K545 M546 E676	N539-R543 PolarHBondContact O-NE 2.77Å; N539-R543 PolarHBondContact O-NH2 2.96Å; N539-R543 VanDerWaalsContact O-NH2 3.07Å; V540-R543 WeakPolarHBondContact O-CB 3.43Å; V540-R543 VanDerWaalsContact O-CG 3.28Å; V540-R543 WeakPolarHBondContact O-CG 3.06Å; F541-R543 PolarHBondContact O-N 2.98Å; R543-K545 PolarHBondContact O-N 2.95Å; R543-K545 VanDerWaalsContact O-N 3.07Å; R543-M546 PolarHBondContact O-N 3.15Å; R543-E676 IonicContact NH2-OE1 3.96Å; R543-E676 PolarHBondContact NH2-OE1 2.78Å
544	G	31.2	Very low	47.9	Very low	54 Å²	54	76.4 Å²	76.4	56%	0.557	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-58.8	-9	165.9	0	0	0	0	0	115.4	F541 D542	F541-G544 PolarHBondContact O-N 3.13Å; D542-G544 PolarHBondContact O-N 3.35Å; D542-G544 VanDerWaalsContact O-N 3.11Å
545	K	38.7	Very low	50.8	Low	149 Å²	149	68.7 Å²	68.7	65%	0.648	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-124.3	12.5	178	-68.6	176.9	178.7	168.8	0	115.2	D542 R543 P547	D542-K545 PolarHBondContact O-N 3.42Å; R543-K545 PolarHBondContact O-N 2.95Å; R543-K545 VanDerWaalsContact O-N 3.07Å; K545-P547 WeakPolarHBondContact O-CD 3.48Å
546	M	41.3	Very low	53.7	Low	36 Å²	36	70.6 Å²	70.6	18%	0.177	35%	0.346	C	S	.	.			trans	-92.7	119	-179.6	-84.5	-138.1	79	0	0	113.2	R543 S548 P677 C681	R543-M546 PolarHBondContact O-N 3.15Å; M546-S548 VanDerWaalsContact CE-CB 3.49Å; M546-S548 VanDerWaalsContact CE-OG 3.23Å; M546-S548 WeakPolarHBondContact CE-OG 3.39Å; M546-S548 PolarHBondContact O-N 3.13Å; M546-S548 PolarHBondContact SD-OG 2.94Å; M546-S548 VanDerWaalsContact SD-OG 3.35Å; M546-P677 HydrophobicContact CE-CB 4Å; M546-P677 HydrophobicContact CE-CG 3.4Å; M546-P677 HydrophobicContact SD-CG 3.88Å; M546-C681 HydrophobicContact CE-CB 4.35Å; M546-C681 WeakPolarHBondContact CE-SG 3.44Å
547	P	49.2	Very low	56.6	Low	13 Å²	13	66.6 Å²	66.6	8%	0.084	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6	171.3	-21.6	34.4	0	0	0	114.9	K545 E549 K685 E778	K545-P547 WeakPolarHBondContact O-CD 3.48Å; P547-E549 PolarHBondContact O-N 2.66Å; P547-K685 HydrophobicContact CG-CG 4.36Å; P547-E778 WeakPolarHBondContact CA-OE2 3.1Å; P547-E778 HydrophobicContact CB-CG 4.43Å; P547-E778 HydrophobicContact CG-CB 4.48Å
548	S	62.1	Low	59.5	Low	24 Å²	24	65.3 Å²	65.3	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-73.3	-26.8	-162.9	61.6	0	0	0	0	115.3	M546 H550 I551 R552	M546-S548 VanDerWaalsContact CE-CB 3.49Å; M546-S548 VanDerWaalsContact CE-OG 3.23Å; M546-S548 WeakPolarHBondContact CE-OG 3.39Å; M546-S548 PolarHBondContact O-N 3.13Å; M546-S548 PolarHBondContact SD-OG 2.94Å; M546-S548 VanDerWaalsContact SD-OG 3.35Å; S548-H550 PolarHBondContact O-N 3.21Å; S548-I551 PolarHBondContact O-N 3.25Å; S548-R552 VanDerWaalsContact O-CB 3.23Å; S548-R552 WeakPolarHBondContact O-CB 3.35Å; S548-R552 PolarHBondContact O-N 3.15Å
549	E	68.5	Low	62.2	Low	68 Å²	68	66.3 Å²	66.3	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-39.5	-177.6	172.4	56.5	-167.3	0	0	111.8	P547 R552 R553	P547-E549 PolarHBondContact O-N 2.66Å; E549-R552 VanDerWaalsContact CD-NH2 3.26Å; E549-R552 PolarHBondContact O-N 2.88Å; E549-R552 IonicContact OE1-CZ 3.38Å; E549-R552 IonicContact OE1-NH2 3.23Å; E549-R552 PolarHBondContact OE1-NH2 3.03Å; E549-R552 IonicContact OE2-CZ 3.7Å; E549-R552 VanDerWaalsContact OE2-CZ 3.22Å; E549-R552 IonicContact OE2-NE 3.81Å; E549-R552 PolarHBondContact OE2-NE 3.1Å; E549-R552 IonicContact OE2-NH2 2.72Å; E549-R552 PolarHBondContact OE2-NH2 2.83Å; E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.38Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 3.44Å; E549-R553 VanDerWaalsContact OE1-CZ 3.23Å; E549-R553 IonicContact OE1-NE 3.64Å; E549-R553 PolarHBondContact OE1-NE 2.88Å; E549-R553 IonicContact OE1-NH2 2.78Å; E549-R553 PolarHBondContact OE1-NH2 3.17Å
550	H	77	Confident	65.1	Low	65 Å²	65	62.9 Å²	62.9	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-49.5	172.2	-66	111.6	0	0	0	111	S548 R552 R553 L554 L732 K733 E778	S548-H550 PolarHBondContact O-N 3.21Å; H550-R552 VanDerWaalsContact C-N 3.29Å; H550-R552 PolarHBondContact O-N 3.41Å; H550-R553 WeakPolarHBondContact O-CB 3.42Å; H550-R553 PolarHBondContact O-N 3.03Å; H550-R553 VanDerWaalsContact O-N 3.14Å; H550-L554 PolarHBondContact O-N 3.4Å; H550-L732 HydrophobicContact CB-CD1 4.36Å; H550-L732 HydrophobicContact CB-CD2 3.99Å; H550-L732 HydrophobicContact CB-CG 4.12Å; H550-L732 WeakPolarHBondContact O-CD1 3.43Å; H550-K733 HydrophobicContact CB-CD 4.46Å; H550-K733 PolarHBondContact ND1-NZ 3.47Å; H550-E778 IonicContact CE1-OE1 3.77Å; H550-E778 IonicContact ND1-OE1 3.1Å; H550-E778 PolarHBondContact ND1-OE1 3.22Å; H550-E778 VanDerWaalsContact ND1-OE1 3.15Å
551	I	83.8	Confident	68	Low	2 Å²	2	62.6 Å²	62.6	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-28.5	-178	-55.2	-60.3	0	0	0	112	S548 L554 F555 Y621 F688 F729 L732	S548-I551 PolarHBondContact O-N 3.25Å; I551-L554 PolarHBondContact O-N 3Å; I551-F555 PolarHBondContact O-N 3.4Å; I551-F555 VanDerWaalsContact O-N 3.12Å; I551-Y621 HydrophobicContact CG2-CD1 3.83Å; I551-Y621 HydrophobicContact CG2-CG 4.33Å; I551-Y621 VanDerWaalsContact CG2-O 3.22Å; I551-Y621 WeakPolarHBondContact CG2-O 3.4Å; I551-F688 HydrophobicContact CG1-CE2 4.28Å; I551-F688 HydrophobicContact CG1-CZ 4.41Å; I551-F688 HydrophobicContact CG2-CE2 4.32Å; I551-F688 HydrophobicContact CG2-CZ 3.88Å; I551-F729 HydrophobicContact CD1-CD1 4.16Å; I551-F729 HydrophobicContact CD1-CE1 3.75Å; I551-L732 HydrophobicContact CD1-CD2 4.12Å
552	R	85.1	Confident	71	Confident	88 Å²	88	61.1 Å²	61.1	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-46.3	169.9	-175	-179.3	73.1	83.5	4.1	111.1	S548 E549 H550 L554 F555 E556 T622	S548-R552 VanDerWaalsContact O-CB 3.23Å; S548-R552 WeakPolarHBondContact O-CB 3.35Å; S548-R552 PolarHBondContact O-N 3.15Å; E549-R552 VanDerWaalsContact CD-NH2 3.26Å; E549-R552 PolarHBondContact O-N 2.88Å; E549-R552 IonicContact OE1-CZ 3.38Å; E549-R552 IonicContact OE1-NH2 3.23Å; E549-R552 PolarHBondContact OE1-NH2 3.03Å; E549-R552 IonicContact OE2-CZ 3.7Å; E549-R552 VanDerWaalsContact OE2-CZ 3.22Å; E549-R552 IonicContact OE2-NE 3.81Å; E549-R552 PolarHBondContact OE2-NE 3.1Å; E549-R552 IonicContact OE2-NH2 2.72Å; E549-R552 PolarHBondContact OE2-NH2 2.83Å; H550-R552 VanDerWaalsContact C-N 3.29Å; H550-R552 PolarHBondContact O-N 3.41Å; R552-L554 VanDerWaalsContact C-N 3.29Å; R552-L554 PolarHBondContact O-N 2.93Å; R552-F555 WeakPolarHBondContact O-CB 3.42Å; R552-F555 PolarHBondContact O-N 3.3Å; R552-E556 HydrophobicContact CG-CG 4.47Å; R552-E556 VanDerWaalsContact CG-OE1 3.23Å; R552-E556 WeakPolarHBondContact CG-OE1 3.37Å; R552-E556 IonicContact CZ-OE1 3.38Å; R552-E556 IonicContact CZ-OE2 3.47Å; R552-E556 IonicContact NE-OE1 3.71Å; R552-E556 IonicContact NH1-OE1 2.82Å; R552-E556 PolarHBondContact NH1-OE1 3.36Å; R552-E556 IonicContact NH1-OE2 2.73Å; R552-E556 PolarHBondContact NH1-OE2 2.85Å; R552-E556 WeakPolarHBondContact O-CB 3.43Å; R552-E556 WeakPolarHBondContact O-CG 3.36Å; R552-E556 PolarHBondContact O-N 2.85Å; R552-T622 HydrophobicContact CB-CG2 3.78Å; R552-T622 HydrophobicContact CG-CG2 4.16Å
553	R	84.5	Confident	74	Confident	132 Å²	132	56 Å²	56	50%	0.498	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-38.6	174.5	-68.6	172.8	-167.9	-171.3	3.8	112	E549 H550 F555 E556 S557 L732	E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.38Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 3.44Å; E549-R553 VanDerWaalsContact OE1-CZ 3.23Å; E549-R553 IonicContact OE1-NE 3.64Å; E549-R553 PolarHBondContact OE1-NE 2.88Å; E549-R553 IonicContact OE1-NH2 2.78Å; E549-R553 PolarHBondContact OE1-NH2 3.17Å; H550-R553 WeakPolarHBondContact O-CB 3.42Å; H550-R553 PolarHBondContact O-N 3.03Å; H550-R553 VanDerWaalsContact O-N 3.14Å; R553-F555 VanDerWaalsContact C-N 3.33Å; R553-F555 PolarHBondContact O-N 3.44Å; R553-E556 PolarHBondContact O-N 2.93Å; R553-S557 WeakPolarHBondContact O-CB 3.31Å; R553-S557 PolarHBondContact O-N 3.32Å; R553-S557 PolarHBondContact O-OG 3.46Å; R553-L732 HydrophobicContact CB-CD1 4.4Å
554	L	88.6	Confident	77	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-38	176.2	-170.6	65.7	0	0	0	112.8	H550 I551 R552 G558 H576 Y621 A728 L732	H550-L554 PolarHBondContact O-N 3.4Å; I551-L554 PolarHBondContact O-N 3Å; R552-L554 VanDerWaalsContact C-N 3.29Å; R552-L554 PolarHBondContact O-N 2.93Å; L554-G558 PolarHBondContact O-N 2.94Å; L554-H576 VanDerWaalsContact CD1-CE1 3.44Å; L554-H576 WeakPolarHBondContact CD1-CE1 3.36Å; L554-H576 WeakPolarHBondContact CD1-NE2 3.11Å; L554-H576 WeakPolarHBondContact CG-CE1 3.48Å; L554-H576 PolarHBondContact O-CE1 3.25Å; L554-Y621 HydrophobicContact CD2-CE1 4.39Å; L554-Y621 HydrophobicContact CG-CE1 4.42Å; L554-A728 HydrophobicContact CD1-CB 4.1Å; L554-A728 HydrophobicContact CD2-CB 4.34Å; L554-L732 HydrophobicContact CB-CD1 4.48Å; L554-L732 HydrophobicContact CB-CD2 3.98Å; L554-L732 HydrophobicContact CD2-CD2 4.25Å; L554-L732 HydrophobicContact CG-CD2 4.49Å
555	F	91.4	Very high	80.1	Confident	18 Å²	18	49 Å²	49	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-36.8	172.1	177.6	-95.7	0	0	0	112.9	I551 R552 R553 L575 E614 M617 R618 Y621	I551-F555 PolarHBondContact O-N 3.4Å; I551-F555 VanDerWaalsContact O-N 3.12Å; R552-F555 WeakPolarHBondContact O-CB 3.42Å; R552-F555 PolarHBondContact O-N 3.3Å; R553-F555 VanDerWaalsContact C-N 3.33Å; R553-F555 PolarHBondContact O-N 3.44Å; F555-L575 HydrophobicContact CD2-CD2 3.83Å; F555-L575 HydrophobicContact CE2-CD2 3.66Å; F555-E614 HydrophobicContact CZ-CG 4.22Å; F555-M617 HydrophobicContact CE2-CB 3.68Å; F555-M617 HydrophobicContact CZ-CB 4.22Å; F555-R618 HydrophobicContact CD1-CB 4.31Å; F555-R618 HydrophobicContact CD1-CG 4.22Å; F555-R618 HydrophobicContact CE1-CB 3.81Å; F555-R618 HydrophobicContact CE1-CG 4.08Å; F555-R618 HydrophobicContact CE2-CB 4.39Å; F555-R618 HydrophobicContact CZ-CB 3.85Å; F555-Y621 HydrophobicContact CB-CD1 3.71Å; F555-Y621 HydrophobicContact CB-CE1 4.2Å; F555-Y621 HydrophobicContact CB-CG 3.91Å; F555-Y621 HydrophobicContact CD2-CD1 4.4Å; F555-Y621 AromaticContact CD2-CD2 3.79Å; F555-Y621 HydrophobicContact CD2-CD2 3.79Å; F555-Y621 HydrophobicContact CD2-CE2 4.04Å; F555-Y621 AromaticContact CD2-CG 3.98Å; F555-Y621 HydrophobicContact CD2-CG 3.98Å; F555-Y621 HydrophobicContact CG-CG 4.33Å
556	E	87.8	Confident	82.6	Confident	104 Å²	104	46.7 Å²	46.7	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-81.1	-30.3	-175.8	-73.4	173	-172.1	0	0	113.8	R552 R553	R552-E556 HydrophobicContact CG-CG 4.47Å; R552-E556 VanDerWaalsContact CG-OE1 3.23Å; R552-E556 WeakPolarHBondContact CG-OE1 3.37Å; R552-E556 IonicContact CZ-OE1 3.38Å; R552-E556 IonicContact CZ-OE2 3.47Å; R552-E556 IonicContact NE-OE1 3.71Å; R552-E556 IonicContact NH1-OE1 2.82Å; R552-E556 PolarHBondContact NH1-OE1 3.36Å; R552-E556 IonicContact NH1-OE2 2.73Å; R552-E556 PolarHBondContact NH1-OE2 2.85Å; R552-E556 WeakPolarHBondContact O-CB 3.43Å; R552-E556 WeakPolarHBondContact O-CG 3.36Å; R552-E556 PolarHBondContact O-N 2.85Å; R553-E556 PolarHBondContact O-N 2.93Å
557	S	88.2	Confident	84.8	Confident	62 Å²	62	45.7 Å²	45.7	43%	0.434	22%	0.22	S	C	.	.	H	α-helix	trans	-87.9	-35.4	176.9	71.5	0	0	0	0	113.5	R553 E559	R553-S557 WeakPolarHBondContact O-CB 3.31Å; R553-S557 PolarHBondContact O-N 3.32Å; R553-S557 PolarHBondContact O-OG 3.46Å; S557-E559 PolarHBondContact O-N 2.82Å; S557-E559 WeakPolarHBondContact OG-CB 3.5Å; S557-E559 WeakPolarHBondContact OG-CG 3.23Å; S557-E559 PolarHBondContact OG-N 3.04Å
558	G	89.4	Confident	86.2	Confident	10 Å²	10	49.1 Å²	49.1	10%	0.103	24%	0.238	C	C	.	.			trans	68.2	13.6	-169.8	0	0	0	0	0	114	L554 H560 S561	L554-G558 PolarHBondContact O-N 2.94Å; G558-H560 PolarHBondContact O-N 3.36Å; G558-S561 VanDerWaalsContact O-CB 3.3Å; G558-S561 WeakPolarHBondContact O-CB 3.36Å; G558-S561 PolarHBondContact O-N 3.45Å; G558-S561 PolarHBondContact O-OG 3.33Å
559	E	87.5	Confident	86.7	Confident	89 Å²	89	51.7 Å²	51.7	42%	0.416	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.6	174.9	-78.9	170.2	-145	0	0	110.5	S557 S561 H576 R738	S557-E559 PolarHBondContact O-N 2.82Å; S557-E559 WeakPolarHBondContact OG-CB 3.5Å; S557-E559 WeakPolarHBondContact OG-CG 3.23Å; S557-E559 PolarHBondContact OG-N 3.04Å; E559-S561 VanDerWaalsContact C-N 3.28Å; E559-S561 PolarHBondContact O-N 3.4Å; E559-H576 PolarHBondContact O-CE1 3.25Å; E559-H576 VanDerWaalsContact O-CE1 3.28Å; E559-H576 PolarHBondContact O-NE2 2.99Å; E559-R738 IonicContact OE2-NH2 3.52Å; E559-R738 PolarHBondContact OE2-NH2 3.37Å
560	H	89.1	Confident	86.8	Confident	44 Å²	44	56 Å²	56	20%	0.204	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	26.5	-174.9	-52.8	-96.7	0	0	0	115.3	G558 D562 H576 Q727 A728 C731 H742	G558-H560 PolarHBondContact O-N 3.36Å; H560-D562 PolarHBondContact O-N 2.95Å; H560-H576 WeakPolarHBondContact CA-NE2 3.26Å; H560-H576 PolarHBondContact O-CD2 3.25Å; H560-H576 PolarHBondContact O-NE2 3.22Å; H560-H576 VanDerWaalsContact O-NE2 3.09Å; H560-Q727 PolarHBondContact CE1-OE1 2.96Å; H560-Q727 WeakPolarHBondContact ND1-CB 3.48Å; H560-Q727 PolarHBondContact ND1-OE1 3.27Å; H560-A728 HydrophobicContact CB-CB 3.9Å; H560-C731 VanDerWaalsContact CE1-SG 3.58Å; H560-C731 PolarHBondContact NE2-SG 3.22Å; H560-H742 AromaticContact CE1-CE1 3.78Å; H560-H742 AromaticContact NE2-CE1 3.93Å; H560-H742 AromaticContact NE2-NE2 3.81Å
561	S	92.5	Very high	87.1	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	30%	0.298	S	S	.	.			trans	-63.7	129.2	173.1	70.6	0	0	0	0	112.3	G558 E559 L575 H576	G558-S561 VanDerWaalsContact O-CB 3.3Å; G558-S561 WeakPolarHBondContact O-CB 3.36Å; G558-S561 PolarHBondContact O-N 3.45Å; G558-S561 PolarHBondContact O-OG 3.33Å; E559-S561 VanDerWaalsContact C-N 3.28Å; E559-S561 PolarHBondContact O-N 3.4Å; S561-L575 WeakPolarHBondContact CA-O 3.43Å; S561-L575 WeakPolarHBondContact CB-O 3.28Å; S561-H576 PolarHBondContact N-NE2 3.29Å
562	D	91.6	Very high	87.4	Confident	58 Å²	58	60.8 Å²	60.8	31%	0.31	32%	0.317	S	S	.	.			trans	-103.3	2.1	177	75.8	-35.9	0	0	0	113.1	H560 L575 H576 R577	H560-D562 PolarHBondContact O-N 2.95Å; D562-L575 PolarHBondContact N-O 3.45Å; D562-H576 VanDerWaalsContact OD1-CA 3.23Å; D562-H576 WeakPolarHBondContact OD1-CA 3.45Å; D562-R577 PolarHBondContact O-NE 2.77Å; D562-R577 PolarHBondContact O-NH2 3.12Å; D562-R577 PolarHBondContact OD1-N 3.16Å; D562-R577 VanDerWaalsContact OD2-CB 3.31Å; D562-R577 WeakPolarHBondContact OD2-CB 3.39Å; D562-R577 WeakPolarHBondContact OD2-CD 3.34Å; D562-R577 WeakPolarHBondContact OD2-CG 3.37Å; D562-R577 IonicContact OD2-NE 2.71Å; D562-R577 PolarHBondContact OD2-NE 3.48Å
563	F	94.9	Very high	87.8	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.9	178.1	-171.8	-102.9	0	0	0	113.4	F565 L575 R577 F591 W595 D599 I601	F563-F565 HydrophobicContact CD1-CD2 4.45Å; F563-F565 HydrophobicContact CD1-CE2 4.33Å; F563-F565 HydrophobicContact CE1-CD1 4.04Å; F563-F565 AromaticContact CE1-CD2 3.99Å; F563-F565 HydrophobicContact CE1-CD2 3.99Å; F563-F565 AromaticContact CE1-CE1 3.81Å; F563-F565 HydrophobicContact CE1-CE1 3.81Å; F563-F565 AromaticContact CE1-CE2 3.76Å; F563-F565 HydrophobicContact CE1-CE2 3.76Å; F563-F565 HydrophobicContact CE1-CG 4.12Å; F563-F565 AromaticContact CE1-CZ 3.66Å; F563-F565 HydrophobicContact CE1-CZ 3.66Å; F563-F565 HydrophobicContact CZ-CE1 4.26Å; F563-F565 HydrophobicContact CZ-CZ 4.41Å; F563-L575 PolarHBondContact N-O 2.97Å; F563-L575 VanDerWaalsContact N-O 3.11Å; F563-L575 PolarHBondContact O-N 3.42Å; F563-L575 VanDerWaalsContact O-O 3.13Å; F563-R577 HydrophobicContact CB-CG 4.02Å; F563-F591 AromaticContact CD1-CE1 3.92Å; F563-F591 HydrophobicContact CD1-CE1 3.92Å; F563-F591 AromaticContact CD1-CZ 3.7Å; F563-F591 HydrophobicContact CD1-CZ 3.7Å; F563-F591 AromaticContact CD2-CE1 3.64Å; F563-F591 HydrophobicContact CD2-CE1 3.64Å; F563-F591 HydrophobicContact CD2-CZ 4.26Å; F563-F591 AromaticContact CE1-CE1 3.93Å; F563-F591 HydrophobicContact CE1-CE1 3.93Å; F563-F591 AromaticContact CE1-CZ 3.82Å; F563-F591 HydrophobicContact CE1-CZ 3.82Å; F563-F591 AromaticContact CE2-CE1 3.65Å; F563-F591 HydrophobicContact CE2-CE1 3.65Å; F563-F591 HydrophobicContact CE2-CZ 4.37Å; F563-F591 AromaticContact CG-CE1 3.76Å; F563-F591 HydrophobicContact CG-CE1 3.76Å; F563-F591 AromaticContact CG-CZ 3.91Å; F563-F591 HydrophobicContact CG-CZ 3.91Å; F563-F591 AromaticContact CZ-CE1 3.77Å; F563-F591 HydrophobicContact CZ-CE1 3.77Å; F563-F591 HydrophobicContact CZ-CZ 4.13Å; F563-W595 HydrophobicContact CZ-CE3 4.29Å; F563-D599 CarbonylContact C-O 3.59Å; F563-D599 WeakPolarHBondContact CA-O 3.17Å; F563-D599 VanDerWaalsContact CD2-O 3.23Å; F563-D599 WeakPolarHBondContact CD2-O 3.08Å; F563-I601 HydrophobicContact CE2-CG1 4.28Å; F563-I601 HydrophobicContact CZ-CB 3.94Å; F563-I601 HydrophobicContact CZ-CG1 3.66Å
564	T	95.8	Very high	88.3	Confident	22 Å²	22	54.7 Å²	54.7	14%	0.135	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.3	179.8	-56.4	0	0	0	0	113.9	R566 N572 L573 H574 D599 S600 I601	T564-R566 HydrophobicContact CG2-CG 4.48Å; T564-N572 HydrophobicContact CG2-CB 3.96Å; T564-L573 WeakPolarHBondContact CA-O 3.39Å; T564-H574 PolarHBondContact OG1-CE1 3.02Å; T564-H574 PolarHBondContact OG1-ND1 3.31Å; T564-D599 PolarHBondContact N-O 2.62Å; T564-S600 CarbonylContact O-C 3.57Å; T564-S600 WeakPolarHBondContact O-CA 3.41Å; T564-S600 VanDerWaalsContact O-CB 3.26Å; T564-S600 WeakPolarHBondContact O-CB 3.5Å; T564-I601 PolarHBondContact O-N 3.15Å
565	F	94.4	Very high	88.6	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.1	162.2	-75.4	-67.3	0	0	0	110.5	F563 L567 N572 L573 L575 F587 W595 I601 M603 F613 M617	F563-F565 HydrophobicContact CD1-CD2 4.45Å; F563-F565 HydrophobicContact CD1-CE2 4.33Å; F563-F565 HydrophobicContact CE1-CD1 4.04Å; F563-F565 AromaticContact CE1-CD2 3.99Å; F563-F565 HydrophobicContact CE1-CD2 3.99Å; F563-F565 AromaticContact CE1-CE1 3.81Å; F563-F565 HydrophobicContact CE1-CE1 3.81Å; F563-F565 AromaticContact CE1-CE2 3.76Å; F563-F565 HydrophobicContact CE1-CE2 3.76Å; F563-F565 HydrophobicContact CE1-CG 4.12Å; F563-F565 AromaticContact CE1-CZ 3.66Å; F563-F565 HydrophobicContact CE1-CZ 3.66Å; F563-F565 HydrophobicContact CZ-CE1 4.26Å; F563-F565 HydrophobicContact CZ-CZ 4.41Å; F565-L567 HydrophobicContact CB-CD2 4.28Å; F565-N572 CarbonylContact O-C 3.57Å; F565-N572 WeakPolarHBondContact O-CA 3.07Å; F565-L573 HydrophobicContact CB-CB 4.47Å; F565-L573 PolarHBondContact N-O 3.38Å; F565-L573 PolarHBondContact O-N 3.36Å; F565-L575 HydrophobicContact CD2-CD1 3.69Å; F565-L575 HydrophobicContact CE2-CD1 4.08Å; F565-F587 HydrophobicContact CE2-CE1 4.27Å; F565-F587 AromaticContact CZ-CE1 3.86Å; F565-F587 HydrophobicContact CZ-CE1 3.86Å; F565-F587 HydrophobicContact CZ-CZ 4.47Å; F565-W595 AromaticContact CE1-CH2 3.97Å; F565-W595 HydrophobicContact CE1-CH2 3.97Å; F565-W595 HydrophobicContact CE1-CZ3 4.03Å; F565-W595 AromaticContact CZ-CH2 3.96Å; F565-W595 HydrophobicContact CZ-CH2 3.96Å; F565-W595 AromaticContact CZ-CZ3 3.7Å; F565-W595 HydrophobicContact CZ-CZ3 3.7Å; F565-I601 WeakPolarHBondContact CA-O 3.39Å; F565-I601 HydrophobicContact CD1-CB 3.87Å; F565-I601 HydrophobicContact CD1-CG2 3.96Å; F565-I601 HydrophobicContact CE1-CB 3.86Å; F565-I601 HydrophobicContact CE1-CG2 3.89Å; F565-M603 HydrophobicContact CB-SD 4.2Å; F565-M603 HydrophobicContact CD1-CG 3.97Å; F565-M603 HydrophobicContact CD1-SD 3.73Å; F565-M603 HydrophobicContact CE1-SD 4.32Å; F565-M603 HydrophobicContact CG-SD 4.04Å; F565-F613 HydrophobicContact CB-CE1 4.29Å; F565-F613 HydrophobicContact CD1-CZ 4.36Å; F565-F613 AromaticContact CD2-CE1 3.69Å; F565-F613 HydrophobicContact CD2-CE1 3.69Å; F565-F613 AromaticContact CD2-CZ 3.72Å; F565-F613 HydrophobicContact CD2-CZ 3.72Å; F565-F613 HydrophobicContact CE1-CZ 4.31Å; F565-F613 HydrophobicContact CE2-CE1 4.12Å; F565-F613 AromaticContact CE2-CZ 3.66Å; F565-F613 HydrophobicContact CE2-CZ 3.66Å; F565-F613 AromaticContact CG-CE1 3.96Å; F565-F613 HydrophobicContact CG-CE1 3.96Å; F565-F613 HydrophobicContact CG-CZ 4.09Å; F565-F613 AromaticContact CZ-CZ 3.97Å; F565-F613 HydrophobicContact CZ-CZ 3.97Å; F565-M617 HydrophobicContact CE2-SD 4.25Å
566	R	91.2	Very high	88.7	Confident	102 Å²	102	54 Å²	54	39%	0.385	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.4	169.2	-64.4	-175.9	-77.9	-86.2	-10.3	109	T564 N572 S600 I601 A602 M603	T564-R566 HydrophobicContact CG2-CG 4.48Å; R566-N572 WeakPolarHBondContact CG-OD1 3.5Å; R566-S600 VanDerWaalsContact CZ-OG 3.24Å; R566-S600 PolarHBondContact NH1-OG 3.37Å; R566-S600 PolarHBondContact NH2-OG 2.86Å; R566-I601 PolarHBondContact N-O 3.46Å; R566-A602 HydrophobicContact CB-CB 4.49Å; R566-M603 PolarHBondContact O-N 3.28Å
567	L	87.4	Confident	89	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.073	28%	0.276	C	S	.	.			trans	-88.9	170	-179.3	-51.7	-176.4	0	0	0	111.9	F565 K571 L573 M603 P610 F613	F565-L567 HydrophobicContact CB-CD2 4.28Å; L567-K571 WeakPolarHBondContact CA-O 3.24Å; L567-K571 HydrophobicContact CB-CB 4.49Å; L567-K571 VanDerWaalsContact CB-O 3.26Å; L567-K571 WeakPolarHBondContact CB-O 3.2Å; L567-K571 PolarHBondContact N-O 3.14Å; L567-L573 HydrophobicContact CD1-CD1 3.93Å; L567-L573 HydrophobicContact CD1-CG 3.91Å; L567-L573 HydrophobicContact CG-CG 4.4Å; L567-M603 HydrophobicContact CD2-CB 4.28Å; L567-M603 HydrophobicContact CD2-CE 4Å; L567-M603 HydrophobicContact CD2-CG 4.29Å; L567-M603 HydrophobicContact CD2-SD 3.39Å; L567-M603 WeakPolarHBondContact CD2-SD 3.18Å; L567-P610 HydrophobicContact CB-CB 4.21Å; L567-P610 HydrophobicContact CD1-CB 3.85Å; L567-F613 HydrophobicContact CD2-CD1 3.87Å; L567-F613 HydrophobicContact CD2-CE1 4.23Å
568	L	78.7	Confident	89.2	Confident	86 Å²	86	47.6 Å²	47.6	45%	0.45	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	142.4	166.9	-63	174	0	0	0	110.1
569	G	73.7	Confident	89.4	Confident	78 Å²	78	47.1 Å²	47.1	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	21.6	-177.4	0	0	0	0	0	115.2	K571	G569-K571 PolarHBondContact O-N 3.24Å; G569-K571 VanDerWaalsContact O-N 3.13Å
570	N	69.6	Low	89.7	Confident	157 Å²	157	42.9 Å²	42.9	84%	0.84	23%	0.233	S	C	*	.	S	Bend	trans	60.5	14.8	179.5	-63.8	-5.6	0	0	0	115.5
571	K	83.4	Confident	89.9	Confident	94 Å²	94	41.1 Å²	41.1	41%	0.409	23%	0.225	S	C	.	.			trans	-77.2	124.2	170.2	-173.6	167.2	-174	174.2	0	109.9	L567 G569 E614	L567-K571 WeakPolarHBondContact CA-O 3.24Å; L567-K571 HydrophobicContact CB-CB 4.49Å; L567-K571 VanDerWaalsContact CB-O 3.26Å; L567-K571 WeakPolarHBondContact CB-O 3.2Å; L567-K571 PolarHBondContact N-O 3.14Å; G569-K571 PolarHBondContact O-N 3.24Å; G569-K571 VanDerWaalsContact O-N 3.13Å; K571-E614 WeakPolarHBondContact CE-OE2 3.35Å; K571-E614 IonicContact NZ-OE1 2.89Å; K571-E614 PolarHBondContact NZ-OE1 2.78Å; K571-E614 VanDerWaalsContact NZ-OE1 3.1Å; K571-E614 IonicContact NZ-OE2 2.67Å; K571-E614 PolarHBondContact NZ-OE2 2.75Å
572	N	90.4	Very high	89.8	Confident	75 Å²	75	40 Å²	40	40%	0.401	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.8	169.8	-63.4	-16.1	0	0	0	109.4	T564 F565 R566	T564-N572 HydrophobicContact CG2-CB 3.96Å; F565-N572 CarbonylContact O-C 3.57Å; F565-N572 WeakPolarHBondContact O-CA 3.07Å; R566-N572 WeakPolarHBondContact CG-OD1 3.5Å
573	L	93.4	Very high	89.7	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.7	164.9	-61.4	-177.3	0	0	0	108.4	T564 F565 L567 L575 F613 E614 M617	T564-L573 WeakPolarHBondContact CA-O 3.39Å; F565-L573 HydrophobicContact CB-CB 4.47Å; F565-L573 PolarHBondContact N-O 3.38Å; F565-L573 PolarHBondContact O-N 3.36Å; L567-L573 HydrophobicContact CD1-CD1 3.93Å; L567-L573 HydrophobicContact CD1-CG 3.91Å; L567-L573 HydrophobicContact CG-CG 4.4Å; L573-L575 HydrophobicContact CB-CD1 4.35Å; L573-L575 HydrophobicContact CB-CG 4.25Å; L573-F613 HydrophobicContact CD1-CD1 4Å; L573-F613 HydrophobicContact CD1-CE1 4.16Å; L573-E614 HydrophobicContact CD1-CB 4.13Å; L573-E614 HydrophobicContact CD1-CG 4.29Å; L573-E614 HydrophobicContact CD2-CG 4.06Å; L573-M617 HydrophobicContact CD1-CG 4.11Å
574	H	95	Very high	89.6	Confident	80 Å²	80	39 Å²	39	37%	0.37	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117	176.7	-72.6	-84.7	0	0	0	108.3	T564	T564-H574 PolarHBondContact OG1-CE1 3.02Å; T564-H574 PolarHBondContact OG1-ND1 3.31Å
575	L	95.7	Very high	89.3	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.7	-168.1	-57.8	175.6	0	0	0	111.7	F555 S561 D562 F563 F565 L573 L580 M617 Y621	F555-L575 HydrophobicContact CD2-CD2 3.83Å; F555-L575 HydrophobicContact CE2-CD2 3.66Å; S561-L575 WeakPolarHBondContact CA-O 3.43Å; S561-L575 WeakPolarHBondContact CB-O 3.28Å; D562-L575 PolarHBondContact N-O 3.45Å; F563-L575 PolarHBondContact N-O 2.97Å; F563-L575 VanDerWaalsContact N-O 3.11Å; F563-L575 PolarHBondContact O-N 3.42Å; F563-L575 VanDerWaalsContact O-O 3.13Å; F565-L575 HydrophobicContact CD2-CD1 3.69Å; F565-L575 HydrophobicContact CE2-CD1 4.08Å; L573-L575 HydrophobicContact CB-CD1 4.35Å; L573-L575 HydrophobicContact CB-CG 4.25Å; L575-L580 HydrophobicContact CB-CD1 4.11Å; L575-L580 HydrophobicContact CD1-CD1 4.04Å; L575-M617 HydrophobicContact CD1-CB 4.32Å; L575-M617 HydrophobicContact CD1-CG 3.91Å; L575-M617 HydrophobicContact CD1-SD 3.94Å; L575-M617 HydrophobicContact CD2-CB 4.45Å; L575-Y621 HydrophobicContact CD2-CE2 4.05Å
576	H	94	Very high	89.3	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.019	23%	0.231	C	C	.	.			trans	-116.2	120.9	-174.8	-53.3	77.7	0	0	0	109.9	L554 E559 H560 S561 D562 C578 V579 L580 Y621	L554-H576 VanDerWaalsContact CD1-CE1 3.44Å; L554-H576 WeakPolarHBondContact CD1-CE1 3.36Å; L554-H576 WeakPolarHBondContact CD1-NE2 3.11Å; L554-H576 WeakPolarHBondContact CG-CE1 3.48Å; L554-H576 PolarHBondContact O-CE1 3.25Å; E559-H576 PolarHBondContact O-CE1 3.25Å; E559-H576 VanDerWaalsContact O-CE1 3.28Å; E559-H576 PolarHBondContact O-NE2 2.99Å; H560-H576 WeakPolarHBondContact CA-NE2 3.26Å; H560-H576 PolarHBondContact O-CD2 3.25Å; H560-H576 PolarHBondContact O-NE2 3.22Å; H560-H576 VanDerWaalsContact O-NE2 3.09Å; S561-H576 PolarHBondContact N-NE2 3.29Å; D562-H576 VanDerWaalsContact OD1-CA 3.23Å; D562-H576 WeakPolarHBondContact OD1-CA 3.45Å; H576-C578 VanDerWaalsContact C-N 3.34Å; H576-C578 PolarHBondContact O-N 3.33Å; H576-V579 HydrophobicContact CB-CB 4.38Å; H576-V579 HydrophobicContact CB-CG2 3.94Å; H576-V579 PolarHBondContact O-N 3.23Å; H576-L580 PolarHBondContact O-N 2.67Å; H576-Y621 WeakPolarHBondContact CB-OH 3.35Å; H576-Y621 PolarHBondContact N-OH 2.86Å; H576-Y621 AromaticContact ND1-CE1 3.79Å; H576-Y621 AromaticContact ND1-CZ 3.71Å; H576-Y621 PolarHBondContact ND1-OH 3.22Å
577	R	94.3	Very high	89.4	Confident	27 Å²	27	36.9 Å²	36.9	10%	0.102	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-45.6	-178.9	-68.5	174.4	-145	-127.8	-8.6	111.6	D562 F563 V579 L580 T581 F591 R596 K598 F711	D562-R577 PolarHBondContact O-NE 2.77Å; D562-R577 PolarHBondContact O-NH2 3.12Å; D562-R577 PolarHBondContact OD1-N 3.16Å; D562-R577 VanDerWaalsContact OD2-CB 3.31Å; D562-R577 WeakPolarHBondContact OD2-CB 3.39Å; D562-R577 WeakPolarHBondContact OD2-CD 3.34Å; D562-R577 WeakPolarHBondContact OD2-CG 3.37Å; D562-R577 IonicContact OD2-NE 2.71Å; D562-R577 PolarHBondContact OD2-NE 3.48Å; F563-R577 HydrophobicContact CB-CG 4.02Å; R577-V579 VanDerWaalsContact C-N 3.29Å; R577-V579 PolarHBondContact O-N 3.41Å; R577-L580 CarbonylContact O-C 3.56Å; R577-L580 PolarHBondContact O-N 3.28Å; R577-T581 WeakPolarHBondContact O-CG2 3.48Å; R577-T581 PolarHBondContact O-N 2.84Å; R577-T581 PolarHBondContact O-OG1 3.12Å; R577-T581 VanDerWaalsContact O-OG1 3.09Å; R577-F591 HydrophobicContact CB-CD2 4.49Å; R577-F591 HydrophobicContact CG-CD1 4.04Å; R577-F591 HydrophobicContact CG-CD2 4.34Å; R577-F591 HydrophobicContact CG-CE1 3.93Å; R577-F591 HydrophobicContact CG-CE2 4.24Å; R577-F591 HydrophobicContact CG-CG 4.26Å; R577-F591 HydrophobicContact CG-CZ 4.04Å; R577-R596 PolarHBondContact NH1-O 3.41Å; R577-K598 PolarHBondContact NH1-O 3.35Å; R577-K598 PolarHBondContact NH2-O 2.84Å; R577-F711 HydrophobicContact CB-CB 4.15Å; R577-F711 HydrophobicContact CB-CD1 3.94Å; R577-F711 HydrophobicContact CB-CD2 3.87Å; R577-F711 HydrophobicContact CB-CE1 4.31Å; R577-F711 HydrophobicContact CB-CE2 4.26Å; R577-F711 HydrophobicContact CB-CG 3.71Å; R577-F711 HydrophobicContact CB-CZ 4.46Å; R577-F711 VanDerWaalsContact CD-CD1 3.44Å; R577-F711 HydrophobicContact CG-CD1 4.34Å
578	C	92.2	Very high	89.6	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-40.5	-179.6	59.7	0	0	0	0	112.9	H576 T581 A582 L691 S710 F711 H726	H576-C578 VanDerWaalsContact C-N 3.34Å; H576-C578 PolarHBondContact O-N 3.33Å; C578-T581 PolarHBondContact O-OG1 3.18Å; C578-A582 VanDerWaalsContact O-CB 3.23Å; C578-A582 WeakPolarHBondContact O-CB 3.28Å; C578-A582 PolarHBondContact O-N 3.44Å; C578-L691 HydrophobicContact CB-CD2 4.08Å; C578-S710 WeakPolarHBondContact CB-O 3.43Å; C578-F711 HydrophobicContact CB-CB 4.48Å; C578-H726 WeakPolarHBondContact CB-NE2 3.32Å
579	V	92.7	Very high	90.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-46.6	174.8	-176.8	0	0	0	0	110.5	H576 R577 R583 Y621 F688 F729	H576-V579 HydrophobicContact CB-CB 4.38Å; H576-V579 HydrophobicContact CB-CG2 3.94Å; H576-V579 PolarHBondContact O-N 3.23Å; R577-V579 VanDerWaalsContact C-N 3.29Å; R577-V579 PolarHBondContact O-N 3.41Å; V579-R583 HydrophobicContact CG1-CG 4.36Å; V579-R583 VanDerWaalsContact O-CB 3.27Å; V579-R583 WeakPolarHBondContact O-CB 3.37Å; V579-R583 WeakPolarHBondContact O-CG 3.48Å; V579-R583 PolarHBondContact O-N 3.48Å; V579-Y621 HydrophobicContact CB-CE1 4.29Å; V579-Y621 HydrophobicContact CB-CE2 4.15Å; V579-Y621 HydrophobicContact CG1-CD1 4.07Å; V579-Y621 HydrophobicContact CG1-CD2 3.77Å; V579-Y621 HydrophobicContact CG1-CE1 4.04Å; V579-Y621 HydrophobicContact CG1-CE2 3.72Å; V579-Y621 HydrophobicContact CG1-CG 3.95Å; V579-Y621 HydrophobicContact CG2-CE1 4.08Å; V579-F688 HydrophobicContact CG1-CE1 4.24Å; V579-F688 HydrophobicContact CG1-CZ 4.41Å; V579-F688 HydrophobicContact CG2-CE1 4.36Å; V579-F729 HydrophobicContact CG2-CE2 4.22Å; V579-F729 HydrophobicContact CG2-CZ 4.01Å
580	L	94	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-37.2	-179.3	-64.3	177.3	0	0	0	112.8	L575 H576 R577 S584 F587 F591 M617 L620 Y621	L575-L580 HydrophobicContact CB-CD1 4.11Å; L575-L580 HydrophobicContact CD1-CD1 4.04Å; H576-L580 PolarHBondContact O-N 2.67Å; R577-L580 CarbonylContact O-C 3.56Å; R577-L580 PolarHBondContact O-N 3.28Å; L580-S584 PolarHBondContact O-N 2.74Å; L580-F587 HydrophobicContact CB-CB 3.95Å; L580-F587 HydrophobicContact CB-CD2 4.08Å; L580-F587 HydrophobicContact CB-CG 4.11Å; L580-F587 HydrophobicContact CD2-CD2 4.14Å; L580-F587 HydrophobicContact CD2-CE2 4.29Å; L580-F591 HydrophobicContact CB-CE2 4Å; L580-F591 HydrophobicContact CD1-CE2 3.88Å; L580-F591 HydrophobicContact CD1-CZ 4.07Å; L580-M617 HydrophobicContact CD2-SD 4.11Å; L580-L620 HydrophobicContact CD2-CD1 3.7Å; L580-Y621 HydrophobicContact CD2-CE2 4.43Å
581	T	92.4	Very high	92.2	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-79.6	-30.8	179.2	59.6	0	0	0	0	113.1	R577 C578 R588 F591 F711	R577-T581 WeakPolarHBondContact O-CG2 3.48Å; R577-T581 PolarHBondContact O-N 2.84Å; R577-T581 PolarHBondContact O-OG1 3.12Å; R577-T581 VanDerWaalsContact O-OG1 3.09Å; C578-T581 PolarHBondContact O-OG1 3.18Å; T581-R588 HydrophobicContact CG2-CB 4.29Å; T581-R588 VanDerWaalsContact O-CZ 3.26Å; T581-R588 PolarHBondContact O-NE 3.43Å; T581-R588 PolarHBondContact O-NH2 2.84Å; T581-F591 HydrophobicContact CG2-CB 4.12Å; T581-F591 HydrophobicContact CG2-CD2 3.69Å; T581-F591 HydrophobicContact CG2-CG 4.35Å; T581-F711 HydrophobicContact CG2-CD2 4.37Å; T581-F711 HydrophobicContact CG2-CE2 3.66Å; T581-F711 HydrophobicContact CG2-CZ 4.39Å
582	A	90.1	Very high	92.4	Very high	14 Å²	14	31.4 Å²	31.4	12%	0.116	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-50.9	166.7	0	0	0	0	0	110.2	C578 R588 L691	C578-A582 VanDerWaalsContact O-CB 3.23Å; C578-A582 WeakPolarHBondContact O-CB 3.28Å; C578-A582 PolarHBondContact O-N 3.44Å; A582-R588 PolarHBondContact O-NH2 3.14Å; A582-L691 HydrophobicContact CB-CD1 3.89Å; A582-L691 HydrophobicContact CB-CD2 4.35Å; A582-L691 HydrophobicContact CB-CG 4.01Å
583	R	90.4	Very high	92.4	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.125	15%	0.154	C	C	.	.	H	α-helix	trans	-85.5	-9.8	-170.2	-58.7	-70.4	-64.8	140.6	1.1	115.6	V579 L620 E683 S687	V579-R583 HydrophobicContact CG1-CG 4.36Å; V579-R583 VanDerWaalsContact O-CB 3.27Å; V579-R583 WeakPolarHBondContact O-CB 3.37Å; V579-R583 WeakPolarHBondContact O-CG 3.48Å; V579-R583 PolarHBondContact O-N 3.48Å; R583-L620 HydrophobicContact CB-CB 4.08Å; R583-L620 HydrophobicContact CB-CD2 3.71Å; R583-L620 HydrophobicContact CB-CG 4.45Å; R583-L620 VanDerWaalsContact CG-O 3.31Å; R583-L620 WeakPolarHBondContact CG-O 3.43Å; R583-L620 PolarHBondContact NE-O 3.07Å; R583-E683 PolarHBondContact NH1-O 3.04Å; R583-E683 IonicContact NH2-OE2 2.66Å; R583-S687 VanDerWaalsContact CD-OG 3.25Å; R583-S687 WeakPolarHBondContact CD-OG 3.21Å; R583-S687 PolarHBondContact NH1-OG 2.93Å
584	S	91.9	Very high	92.2	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.042	18%	0.18	C	C	.	.			trans	-148.7	125.9	176.7	176.8	0	0	0	0	113.7	L580 F586 F587 R588 C642	L580-S584 PolarHBondContact O-N 2.74Å; S584-F586 VanDerWaalsContact C-N 3.27Å; S584-F586 PolarHBondContact O-N 3.39Å; S584-F586 PolarHBondContact OG-N 3.19Å; S584-F587 PolarHBondContact O-N 2.87Å; S584-F587 PolarHBondContact OG-N 3.31Å; S584-R588 WeakPolarHBondContact O-CB 3.37Å; S584-R588 PolarHBondContact O-N 3.43Å; S584-C642 PolarHBondContact OG-O 2.71Å; S584-C642 VanDerWaalsContact OG-O 3.12Å
585	A	90.2	Very high	92.1	Very high	59 Å²	59	31 Å²	31	49%	0.488	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-29.1	171	0	0	0	0	0	113.1	E589	A585-E589 VanDerWaalsContact O-CB 3.3Å; A585-E589 WeakPolarHBondContact O-CB 3.42Å; A585-E589 PolarHBondContact O-N 2.86Å
586	F	93.9	Very high	91.6	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-47.3	174	169.9	-90.3	0	0	0	111.4	S584 R588 E589 K590 W595 Q641 C642 K643	S584-F586 VanDerWaalsContact C-N 3.27Å; S584-F586 PolarHBondContact O-N 3.39Å; S584-F586 PolarHBondContact OG-N 3.19Å; F586-R588 VanDerWaalsContact C-N 3.32Å; F586-R588 PolarHBondContact O-N 3.28Å; F586-E589 WeakPolarHBondContact O-CB 3.34Å; F586-E589 PolarHBondContact O-N 2.99Å; F586-K590 HydrophobicContact CD1-CG 4.37Å; F586-K590 HydrophobicContact CE1-CG 4.01Å; F586-K590 HydrophobicContact CE2-CD 4.48Å; F586-K590 VanDerWaalsContact CE2-CE 3.46Å; F586-K590 HydrophobicContact CE2-CG 4.21Å; F586-K590 HydrophobicContact CZ-CG 3.93Å; F586-K590 WeakPolarHBondContact O-CG 3.47Å; F586-K590 PolarHBondContact O-N 3.19Å; F586-W595 HydrophobicContact CE1-CH2 4.17Å; F586-Q641 WeakPolarHBondContact CD2-O 3.38Å; F586-Q641 WeakPolarHBondContact CE2-O 3.37Å; F586-C642 WeakPolarHBondContact CB-O 3.48Å; F586-C642 HydrophobicContact CD1-CB 4.23Å; F586-C642 HydrophobicContact CG-CB 4.44Å; F586-K643 HydrophobicContact CB-CB 4.42Å; F586-K643 HydrophobicContact CB-CD 4.38Å; F586-K643 HydrophobicContact CB-CG 4.36Å
587	F	93.7	Very high	91.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-37.8	178.4	-72.6	-51.9	0	0	0	111.3	F565 L580 S584 K590 F591 W595 M617 L620	F565-F587 HydrophobicContact CE2-CE1 4.27Å; F565-F587 AromaticContact CZ-CE1 3.86Å; F565-F587 HydrophobicContact CZ-CE1 3.86Å; F565-F587 HydrophobicContact CZ-CZ 4.47Å; L580-F587 HydrophobicContact CB-CB 3.95Å; L580-F587 HydrophobicContact CB-CD2 4.08Å; L580-F587 HydrophobicContact CB-CG 4.11Å; L580-F587 HydrophobicContact CD2-CD2 4.14Å; L580-F587 HydrophobicContact CD2-CE2 4.29Å; S584-F587 PolarHBondContact O-N 2.87Å; S584-F587 PolarHBondContact OG-N 3.31Å; F587-K590 PolarHBondContact O-N 2.93Å; F587-F591 HydrophobicContact CB-CD2 4.01Å; F587-F591 HydrophobicContact CB-CE2 3.93Å; F587-F591 HydrophobicContact CD1-CE2 4.23Å; F587-F591 HydrophobicContact CG-CE2 4.34Å; F587-F591 WeakPolarHBondContact O-CB 3.5Å; F587-F591 WeakPolarHBondContact O-CD2 3.16Å; F587-F591 WeakPolarHBondContact O-CG 3.39Å; F587-F591 PolarHBondContact O-N 2.93Å; F587-W595 HydrophobicContact CD1-CH2 4.41Å; F587-W595 AromaticContact CD1-CZ3 3.77Å; F587-W595 HydrophobicContact CD1-CZ3 3.77Å; F587-W595 HydrophobicContact CE1-CH2 4.13Å; F587-W595 AromaticContact CE1-CZ3 3.84Å; F587-W595 HydrophobicContact CE1-CZ3 3.84Å; F587-M617 HydrophobicContact CE2-CE 3.81Å; F587-M617 HydrophobicContact CE2-SD 4.14Å; F587-M617 HydrophobicContact CZ-CE 3.8Å; F587-M617 HydrophobicContact CZ-SD 4.05Å; F587-L620 HydrophobicContact CD2-CD1 4.03Å; F587-L620 HydrophobicContact CE2-CD1 3.73Å
588	R	91.8	Very high	91	Very high	97 Å²	97	47 Å²	47	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-54.1	-52.3	169.7	-164.6	-177.9	-56.7	168.3	2.6	112.3	T581 A582 S584 F586 K590 F591 Y592	T581-R588 HydrophobicContact CG2-CB 4.29Å; T581-R588 VanDerWaalsContact O-CZ 3.26Å; T581-R588 PolarHBondContact O-NE 3.43Å; T581-R588 PolarHBondContact O-NH2 2.84Å; A582-R588 PolarHBondContact O-NH2 3.14Å; S584-R588 WeakPolarHBondContact O-CB 3.37Å; S584-R588 PolarHBondContact O-N 3.43Å; F586-R588 VanDerWaalsContact C-N 3.32Å; F586-R588 PolarHBondContact O-N 3.28Å; R588-K590 PolarHBondContact O-N 3.31Å; R588-F591 PolarHBondContact O-N 2.93Å; R588-Y592 HydrophobicContact CG-CD2 4.02Å; R588-Y592 HydrophobicContact CG-CE2 3.35Å; R588-Y592 WeakPolarHBondContact O-CD2 3.37Å; R588-Y592 PolarHBondContact O-N 3.23Å; R588-Y592 VanDerWaalsContact O-N 3.09Å
589	E	91.8	Very high	90.9	Very high	84 Å²	84	52 Å²	52	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-56.8	-44.2	175.7	-174.7	-156.3	116.3	0	0	112.3	A585 F586 G593 K643	A585-E589 VanDerWaalsContact O-CB 3.3Å; A585-E589 WeakPolarHBondContact O-CB 3.42Å; A585-E589 PolarHBondContact O-N 2.86Å; F586-E589 WeakPolarHBondContact O-CB 3.34Å; F586-E589 PolarHBondContact O-N 2.99Å; E589-G593 PolarHBondContact O-N 3Å; E589-K643 IonicContact OE2-NZ 3.37Å; E589-K643 PolarHBondContact OE2-NZ 2.87Å
590	K	93.4	Very high	91	Very high	56 Å²	56	52.6 Å²	52.6	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-74.2	-39.9	-179.2	-61.3	-40.4	-179.2	-163.3	0	113.3	F586 F587 R588 G593 A594 W595	F586-K590 HydrophobicContact CD1-CG 4.37Å; F586-K590 HydrophobicContact CE1-CG 4.01Å; F586-K590 HydrophobicContact CE2-CD 4.48Å; F586-K590 VanDerWaalsContact CE2-CE 3.46Å; F586-K590 HydrophobicContact CE2-CG 4.21Å; F586-K590 HydrophobicContact CZ-CG 3.93Å; F586-K590 WeakPolarHBondContact O-CG 3.47Å; F586-K590 PolarHBondContact O-N 3.19Å; F587-K590 PolarHBondContact O-N 2.93Å; R588-K590 PolarHBondContact O-N 3.31Å; K590-G593 CarbonylContact O-C 3.25Å; K590-G593 VanDerWaalsContact O-C 3.25Å; K590-G593 PolarHBondContact O-N 3.06Å; K590-A594 PolarHBondContact O-N 3.39Å; K590-W595 HydrophobicContact CB-CD2 3.63Å; K590-W595 HydrophobicContact CB-CE3 3.6Å; K590-W595 HydrophobicContact CB-CG 4.09Å; K590-W595 HydrophobicContact CB-CH2 4.38Å; K590-W595 HydrophobicContact CB-CZ2 4.41Å; K590-W595 HydrophobicContact CB-CZ3 3.99Å; K590-W595 HydrophobicContact CG-CD2 4.33Å; K590-W595 HydrophobicContact CG-CE3 4.38Å; K590-W595 HydrophobicContact CG-CH2 4.29Å; K590-W595 HydrophobicContact CG-CZ2 4.24Å; K590-W595 HydrophobicContact CG-CZ3 4.36Å; K590-W595 WeakPolarHBondContact O-CA 3.47Å; K590-W595 WeakPolarHBondContact O-CB 3.39Å; K590-W595 PolarHBondContact O-N 2.98Å
591	F	92.3	Very high	90.9	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-74.9	-24.4	-179.1	-71.8	-56.2	0	0	0	113.8	F563 R577 L580 T581 F587 R588 W595 R596 F711	F563-F591 AromaticContact CD1-CE1 3.92Å; F563-F591 HydrophobicContact CD1-CE1 3.92Å; F563-F591 AromaticContact CD1-CZ 3.7Å; F563-F591 HydrophobicContact CD1-CZ 3.7Å; F563-F591 AromaticContact CD2-CE1 3.64Å; F563-F591 HydrophobicContact CD2-CE1 3.64Å; F563-F591 HydrophobicContact CD2-CZ 4.26Å; F563-F591 AromaticContact CE1-CE1 3.93Å; F563-F591 HydrophobicContact CE1-CE1 3.93Å; F563-F591 AromaticContact CE1-CZ 3.82Å; F563-F591 HydrophobicContact CE1-CZ 3.82Å; F563-F591 AromaticContact CE2-CE1 3.65Å; F563-F591 HydrophobicContact CE2-CE1 3.65Å; F563-F591 HydrophobicContact CE2-CZ 4.37Å; F563-F591 AromaticContact CG-CE1 3.76Å; F563-F591 HydrophobicContact CG-CE1 3.76Å; F563-F591 AromaticContact CG-CZ 3.91Å; F563-F591 HydrophobicContact CG-CZ 3.91Å; F563-F591 AromaticContact CZ-CE1 3.77Å; F563-F591 HydrophobicContact CZ-CE1 3.77Å; F563-F591 HydrophobicContact CZ-CZ 4.13Å; R577-F591 HydrophobicContact CB-CD2 4.49Å; R577-F591 HydrophobicContact CG-CD1 4.04Å; R577-F591 HydrophobicContact CG-CD2 4.34Å; R577-F591 HydrophobicContact CG-CE1 3.93Å; R577-F591 HydrophobicContact CG-CE2 4.24Å; R577-F591 HydrophobicContact CG-CG 4.26Å; R577-F591 HydrophobicContact CG-CZ 4.04Å; L580-F591 HydrophobicContact CB-CE2 4Å; L580-F591 HydrophobicContact CD1-CE2 3.88Å; L580-F591 HydrophobicContact CD1-CZ 4.07Å; T581-F591 HydrophobicContact CG2-CB 4.12Å; T581-F591 HydrophobicContact CG2-CD2 3.69Å; T581-F591 HydrophobicContact CG2-CG 4.35Å; F587-F591 HydrophobicContact CB-CD2 4.01Å; F587-F591 HydrophobicContact CB-CE2 3.93Å; F587-F591 HydrophobicContact CD1-CE2 4.23Å; F587-F591 HydrophobicContact CG-CE2 4.34Å; F587-F591 WeakPolarHBondContact O-CB 3.5Å; F587-F591 WeakPolarHBondContact O-CD2 3.16Å; F587-F591 WeakPolarHBondContact O-CG 3.39Å; F587-F591 PolarHBondContact O-N 2.93Å; R588-F591 PolarHBondContact O-N 2.93Å; F591-W595 HydrophobicContact CD1-CB 4.11Å; F591-W595 HydrophobicContact CD1-CE3 4.27Å; F591-W595 HydrophobicContact CE1-CB 4.48Å; F591-W595 AromaticContact CE1-CE3 3.93Å; F591-W595 HydrophobicContact CE1-CE3 3.93Å; F591-W595 HydrophobicContact CZ-CE3 4.17Å; F591-R596 WeakPolarHBondContact O-CA 3.48Å; F591-R596 WeakPolarHBondContact O-CB 3.46Å; F591-R596 PolarHBondContact O-N 3.41Å; F591-F711 HydrophobicContact CB-CE1 4.44Å; F591-F711 HydrophobicContact CB-CE2 4.45Å; F591-F711 HydrophobicContact CB-CZ 3.75Å
592	Y	87.8	Confident	90.7	Very high	77 Å²	77	55.8 Å²	55.8	30%	0.302	29%	0.287	S	S	.	.	H	α-helix	trans	-83.2	-32.3	167.1	-56.3	-27.6	0	0	0	112.4	R588 R596 L708 T709 F711	R588-Y592 HydrophobicContact CG-CD2 4.02Å; R588-Y592 HydrophobicContact CG-CE2 3.35Å; R588-Y592 WeakPolarHBondContact O-CD2 3.37Å; R588-Y592 PolarHBondContact O-N 3.23Å; R588-Y592 VanDerWaalsContact O-N 3.09Å; Y592-R596 WeakPolarHBondContact O-CD 3.4Å; Y592-L708 VanDerWaalsContact CE1-O 3.28Å; Y592-L708 WeakPolarHBondContact CE1-O 3.44Å; Y592-T709 HydrophobicContact CE1-CG2 4.45Å; Y592-T709 HydrophobicContact CE2-CG2 4.28Å; Y592-T709 WeakPolarHBondContact OH-CA 3.24Å; Y592-T709 WeakPolarHBondContact OH-CB 3.49Å; Y592-T709 PolarHBondContact OH-O 3.22Å; Y592-F711 HydrophobicContact CD1-CE2 4.26Å; Y592-F711 AromaticContact CD1-CZ 3.86Å; Y592-F711 HydrophobicContact CD1-CZ 3.86Å; Y592-F711 AromaticContact CE1-CE2 3.51Å; Y592-F711 HydrophobicContact CE1-CE2 3.51Å; Y592-F711 AromaticContact CE1-CZ 3.57Å; Y592-F711 HydrophobicContact CE1-CZ 3.57Å
593	G	89.2	Confident	90.4	Very high	42 Å²	42	56.5 Å²	56.5	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-121.5	175.5	0	0	0	0	0	113.9	E589 K590 W595 R596	E589-G593 PolarHBondContact O-N 3Å; K590-G593 CarbonylContact O-C 3.25Å; K590-G593 VanDerWaalsContact O-C 3.25Å; K590-G593 PolarHBondContact O-N 3.06Å; G593-W595 PolarHBondContact O-N 3.45Å; G593-R596 VanDerWaalsContact O-CB 3.28Å; G593-R596 WeakPolarHBondContact O-CB 3.35Å; G593-R596 PolarHBondContact O-N 3.41Å
594	A	90.2	Very high	89.4	Confident	72 Å²	72	65.2 Å²	65.2	60%	0.595	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.6	-163.3	0	0	0	0	0	116.9	K590 K598	K590-A594 PolarHBondContact O-N 3.39Å; A594-K598 WeakPolarHBondContact O-CE 3.33Å; A594-K598 PolarHBondContact O-NZ 3.44Å
595	W	91.4	Very high	88.6	Confident	43 Å²	43	69 Å²	69	16%	0.163	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	0.5	177	-56.6	-9.8	0	0	0	114.1	F563 F565 F586 F587 K590 F591 G593 Y597 K598 I601	F563-W595 HydrophobicContact CZ-CE3 4.29Å; F565-W595 AromaticContact CE1-CH2 3.97Å; F565-W595 HydrophobicContact CE1-CH2 3.97Å; F565-W595 HydrophobicContact CE1-CZ3 4.03Å; F565-W595 AromaticContact CZ-CH2 3.96Å; F565-W595 HydrophobicContact CZ-CH2 3.96Å; F565-W595 AromaticContact CZ-CZ3 3.7Å; F565-W595 HydrophobicContact CZ-CZ3 3.7Å; F586-W595 HydrophobicContact CE1-CH2 4.17Å; F587-W595 HydrophobicContact CD1-CH2 4.41Å; F587-W595 AromaticContact CD1-CZ3 3.77Å; F587-W595 HydrophobicContact CD1-CZ3 3.77Å; F587-W595 HydrophobicContact CE1-CH2 4.13Å; F587-W595 AromaticContact CE1-CZ3 3.84Å; F587-W595 HydrophobicContact CE1-CZ3 3.84Å; K590-W595 HydrophobicContact CB-CD2 3.63Å; K590-W595 HydrophobicContact CB-CE3 3.6Å; K590-W595 HydrophobicContact CB-CG 4.09Å; K590-W595 HydrophobicContact CB-CH2 4.38Å; K590-W595 HydrophobicContact CB-CZ2 4.41Å; K590-W595 HydrophobicContact CB-CZ3 3.99Å; K590-W595 HydrophobicContact CG-CD2 4.33Å; K590-W595 HydrophobicContact CG-CE3 4.38Å; K590-W595 HydrophobicContact CG-CH2 4.29Å; K590-W595 HydrophobicContact CG-CZ2 4.24Å; K590-W595 HydrophobicContact CG-CZ3 4.36Å; K590-W595 WeakPolarHBondContact O-CA 3.47Å; K590-W595 WeakPolarHBondContact O-CB 3.39Å; K590-W595 PolarHBondContact O-N 2.98Å; F591-W595 HydrophobicContact CD1-CB 4.11Å; F591-W595 HydrophobicContact CD1-CE3 4.27Å; F591-W595 HydrophobicContact CE1-CB 4.48Å; F591-W595 AromaticContact CE1-CE3 3.93Å; F591-W595 HydrophobicContact CE1-CE3 3.93Å; F591-W595 HydrophobicContact CZ-CE3 4.17Å; G593-W595 PolarHBondContact O-N 3.45Å; W595-Y597 PolarHBondContact O-N 3.43Å; W595-K598 WeakPolarHBondContact O-CB 3.39Å; W595-K598 PolarHBondContact O-N 3.01Å; W595-I601 HydrophobicContact CD2-CD1 4.32Å; W595-I601 HydrophobicContact CD2-CG1 3.94Å; W595-I601 HydrophobicContact CE3-CG1 4.44Å; W595-I601 HydrophobicContact CG-CD1 4.16Å; W595-I601 HydrophobicContact CG-CG1 4.14Å; W595-I601 HydrophobicContact CZ2-CG1 4.42Å
596	R	86.2	Confident	87.7	Confident	73 Å²	73	74.9 Å²	74.9	28%	0.275	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-59	-178.3	-179.2	174.7	171	86.3	-6	114.1	R577 F591 Y592 G593 K598 L708	R577-R596 PolarHBondContact NH1-O 3.41Å; F591-R596 WeakPolarHBondContact O-CA 3.48Å; F591-R596 WeakPolarHBondContact O-CB 3.46Å; F591-R596 PolarHBondContact O-N 3.41Å; Y592-R596 WeakPolarHBondContact O-CD 3.4Å; G593-R596 VanDerWaalsContact O-CB 3.28Å; G593-R596 WeakPolarHBondContact O-CB 3.35Å; G593-R596 PolarHBondContact O-N 3.41Å; R596-K598 VanDerWaalsContact C-N 3.31Å; R596-K598 PolarHBondContact O-N 3.48Å; R596-L708 VanDerWaalsContact NH2-CD1 3.33Å
597	Y	86.1	Confident	86.9	Confident	204 Å²	204	80.4 Å²	80.4	80%	0.8	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	23.3	-178.2	-52.1	-69.5	0	0	0	114.1	W595	W595-Y597 PolarHBondContact O-N 3.43Å
598	K	90.1	Very high	86.5	Confident	92 Å²	92	81.8 Å²	81.8	40%	0.4	39%	0.389	S	S	.	.			trans	-108.7	130.3	178.9	-62.8	-180	-178.5	149.1	0	110	R577 A594 W595 R596 S600 I601	R577-K598 PolarHBondContact NH1-O 3.35Å; R577-K598 PolarHBondContact NH2-O 2.84Å; A594-K598 WeakPolarHBondContact O-CE 3.33Å; A594-K598 PolarHBondContact O-NZ 3.44Å; W595-K598 WeakPolarHBondContact O-CB 3.39Å; W595-K598 PolarHBondContact O-N 3.01Å; R596-K598 VanDerWaalsContact C-N 3.31Å; R596-K598 PolarHBondContact O-N 3.48Å; K598-S600 VanDerWaalsContact C-N 3.26Å; K598-I601 HydrophobicContact CD-CD1 3.82Å
599	D	90.3	Very high	86.4	Confident	111 Å²	111	78.8 Å²	78.8	59%	0.594	38%	0.381	S	S	*	.	S	Bend	trans	-71.8	-24.6	166.8	65.6	-20.6	0	0	0	111.7	F563 T564	F563-D599 CarbonylContact C-O 3.59Å; F563-D599 WeakPolarHBondContact CA-O 3.17Å; F563-D599 VanDerWaalsContact CD2-O 3.23Å; F563-D599 WeakPolarHBondContact CD2-O 3.08Å; T564-D599 PolarHBondContact N-O 2.62Å
600	S	93.1	Very high	86.4	Confident	11 Å²	11	76.9 Å²	76.9	8%	0.077	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	153.4	-163.4	62.8	0	0	0	0	114.2	T564 R566 K598	T564-S600 CarbonylContact O-C 3.57Å; T564-S600 WeakPolarHBondContact O-CA 3.41Å; T564-S600 VanDerWaalsContact O-CB 3.26Å; T564-S600 WeakPolarHBondContact O-CB 3.5Å; R566-S600 VanDerWaalsContact CZ-OG 3.24Å; R566-S600 PolarHBondContact NH1-OG 3.37Å; R566-S600 PolarHBondContact NH2-OG 2.86Å; K598-S600 VanDerWaalsContact C-N 3.26Å
601	I	92.2	Very high	86.2	Confident	34 Å²	34	78.7 Å²	78.7	17%	0.174	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.6	173.1	-73.7	-70	0	0	0	109.8	F563 T564 F565 R566 W595 K598 M603	F563-I601 HydrophobicContact CE2-CG1 4.28Å; F563-I601 HydrophobicContact CZ-CB 3.94Å; F563-I601 HydrophobicContact CZ-CG1 3.66Å; T564-I601 PolarHBondContact O-N 3.15Å; F565-I601 WeakPolarHBondContact CA-O 3.39Å; F565-I601 HydrophobicContact CD1-CB 3.87Å; F565-I601 HydrophobicContact CD1-CG2 3.96Å; F565-I601 HydrophobicContact CE1-CB 3.86Å; F565-I601 HydrophobicContact CE1-CG2 3.89Å; R566-I601 PolarHBondContact N-O 3.46Å; W595-I601 HydrophobicContact CD2-CD1 4.32Å; W595-I601 HydrophobicContact CD2-CG1 3.94Å; W595-I601 HydrophobicContact CE3-CG1 4.44Å; W595-I601 HydrophobicContact CG-CD1 4.16Å; W595-I601 HydrophobicContact CG-CG1 4.14Å; W595-I601 HydrophobicContact CZ2-CG1 4.42Å; K598-I601 HydrophobicContact CD-CD1 3.82Å; I601-M603 HydrophobicContact CG2-CG 4.47Å
602	A	88.9	Confident	86.3	Confident	40 Å²	40	78.7 Å²	78.7	33%	0.331	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.4	173	0	0	0	0	0	110.3	R566 R604	R566-A602 HydrophobicContact CB-CB 4.49Å; A602-R604 VanDerWaalsContact C-N 3.32Å; A602-R604 HydrophobicContact CB-CG 4.37Å; A602-R604 PolarHBondContact O-N 2.88Å
603	M	83	Confident	86.6	Confident	29 Å²	29	75.5 Å²	75.5	14%	0.143	37%	0.374	C	S	.	.			trans	-80.8	79.3	-179.4	-70.6	-179.1	53	0	0	110.7	F565 R566 L567 I601 N605 V608 F613	F565-M603 HydrophobicContact CB-SD 4.2Å; F565-M603 HydrophobicContact CD1-CG 3.97Å; F565-M603 HydrophobicContact CD1-SD 3.73Å; F565-M603 HydrophobicContact CE1-SD 4.32Å; F565-M603 HydrophobicContact CG-SD 4.04Å; R566-M603 PolarHBondContact O-N 3.28Å; L567-M603 HydrophobicContact CD2-CB 4.28Å; L567-M603 HydrophobicContact CD2-CE 4Å; L567-M603 HydrophobicContact CD2-CG 4.29Å; L567-M603 HydrophobicContact CD2-SD 3.39Å; L567-M603 WeakPolarHBondContact CD2-SD 3.18Å; I601-M603 HydrophobicContact CG2-CG 4.47Å; M603-N605 VanDerWaalsContact C-N 3.3Å; M603-V608 HydrophobicContact CE-CB 4.02Å; M603-V608 HydrophobicContact CE-CG1 3.32Å; M603-F613 HydrophobicContact CE-CB 4.25Å; M603-F613 HydrophobicContact CE-CD1 3.9Å; M603-F613 HydrophobicContact CE-CD2 3.58Å; M603-F613 HydrophobicContact CE-CE1 4.12Å; M603-F613 HydrophobicContact CE-CE2 3.82Å; M603-F613 HydrophobicContact CE-CG 3.62Å; M603-F613 HydrophobicContact CE-CZ 4.08Å; M603-F613 HydrophobicContact SD-CD1 3.82Å; M603-F613 HydrophobicContact SD-CD2 4.2Å; M603-F613 HydrophobicContact SD-CE1 3.51Å; M603-F613 VanDerWaalsContact SD-CE1 3.51Å; M603-F613 HydrophobicContact SD-CE2 3.93Å; M603-F613 HydrophobicContact SD-CG 4.15Å; M603-F613 HydrophobicContact SD-CZ 3.57Å; M603-F613 VanDerWaalsContact SD-CZ 3.57Å
604	R	70.3	Confident	86.8	Confident	215 Å²	215	75 Å²	75	81%	0.811	36%	0.361	S	S	*	.			trans	-80.1	-5.3	179	-62.6	-179.7	179.5	173.5	-0.4	114.1	A602 K606	A602-R604 VanDerWaalsContact C-N 3.32Å; A602-R604 HydrophobicContact CB-CG 4.37Å; A602-R604 PolarHBondContact O-N 2.88Å; R604-K606 PolarHBondContact O-N 3.48Å
605	N	74.9	Confident	86.9	Confident	85 Å²	85	71.7 Å²	71.7	46%	0.455	33%	0.334	S	S	.	.			trans	-73.4	109.3	-179.9	-175.8	-3.4	0	0	0	110.2	M603 H607 V608	M603-N605 VanDerWaalsContact C-N 3.3Å; N605-H607 PolarHBondContact O-N 2.61Å; N605-H607 VanDerWaalsContact O-N 3.11Å; N605-H607 WeakPolarHBondContact OD1-CB 3.19Å; N605-H607 PolarHBondContact OD1-CD2 3.27Å; N605-H607 VanDerWaalsContact OD1-CD2 3.25Å; N605-H607 PolarHBondContact OD1-N 3.15Å; N605-V608 HydrophobicContact CB-CG2 4.07Å; N605-V608 PolarHBondContact O-N 3.37Å; N605-V608 VanDerWaalsContact O-N 3.07Å
606	K	72.1	Confident	87.1	Confident	184 Å²	184	69.6 Å²	69.6	80%	0.8	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	179.2	-65.3	-177.1	179.4	179.7	0	114.1	R604	R604-K606 PolarHBondContact O-N 3.48Å
607	H	77	Confident	87.5	Confident	138 Å²	138	66.1 Å²	66.1	64%	0.639	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9	179.4	-56.2	-74.2	0	0	0	113.5	N605 M637	N605-H607 PolarHBondContact O-N 2.61Å; N605-H607 VanDerWaalsContact O-N 3.11Å; N605-H607 WeakPolarHBondContact OD1-CB 3.19Å; N605-H607 PolarHBondContact OD1-CD2 3.27Å; N605-H607 VanDerWaalsContact OD1-CD2 3.25Å; N605-H607 PolarHBondContact OD1-N 3.15Å; H607-M637 HydrophobicContact CB-CE 4.45Å; H607-M637 WeakPolarHBondContact O-CE 3.22Å
608	V	84.7	Confident	87.8	Confident	29 Å²	29	59.5 Å²	59.5	18%	0.176	29%	0.286	C	S	.	.	S	Bend	trans	-95.9	104.1	179.2	-176	0	0	0	0	110.1	M603 N605 F613 I638	M603-V608 HydrophobicContact CE-CB 4.02Å; M603-V608 HydrophobicContact CE-CG1 3.32Å; N605-V608 HydrophobicContact CB-CG2 4.07Å; N605-V608 PolarHBondContact O-N 3.37Å; N605-V608 VanDerWaalsContact O-N 3.07Å; V608-F613 HydrophobicContact CG1-CB 4.11Å; V608-F613 HydrophobicContact CG1-CD2 4.18Å; V608-F613 HydrophobicContact CG1-CG 4.42Å; V608-I638 HydrophobicContact CG1-CD1 3.81Å; V608-I638 HydrophobicContact CG1-CG1 4.02Å
609	N	89.6	Confident	87.9	Confident	35 Å²	35	55.1 Å²	55.1	19%	0.187	27%	0.267	C	S	.	.			trans	-63.9	124.6	176.9	-173.3	-44.7	0	0	0	111.1	I611 A612 F613 L631 D634	N609-I611 VanDerWaalsContact C-N 3.31Å; N609-I611 PolarHBondContact O-N 2.84Å; N609-I611 PolarHBondContact OD1-N 3.29Å; N609-A612 HydrophobicContact CB-CB 4.06Å; N609-A612 PolarHBondContact O-N 3.32Å; N609-A612 PolarHBondContact OD1-N 3.12Å; N609-F613 WeakPolarHBondContact O-CB 3.38Å; N609-F613 PolarHBondContact O-N 2.61Å; N609-L631 VanDerWaalsContact ND2-CD2 3.26Å; N609-L631 WeakPolarHBondContact ND2-CD2 3.24Å; N609-D634 HydrophobicContact CB-CB 3.87Å; N609-D634 WeakPolarHBondContact CB-OD2 3.37Å; N609-D634 PolarHBondContact ND2-OD2 3.12Å
610	P	90.7	Very high	88.1	Confident	43 Å²	43	49.9 Å²	49.9	28%	0.279	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-31.1	-175.3	26.4	-34.5	0	0	0	113.1	L567 E614	L567-P610 HydrophobicContact CB-CB 4.21Å; L567-P610 HydrophobicContact CD1-CB 3.85Å; P610-E614 VanDerWaalsContact O-CB 3.29Å; P610-E614 WeakPolarHBondContact O-CB 3.32Å; P610-E614 PolarHBondContact O-N 3.35Å
611	I	91.2	Very high	88	Confident	95 Å²	95	49.4 Å²	49.4	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-73.3	-44.2	-179.9	-54.9	176	0	0	0	110	N609 F613 E614 A615 L627 L631	N609-I611 VanDerWaalsContact C-N 3.31Å; N609-I611 PolarHBondContact O-N 2.84Å; N609-I611 PolarHBondContact OD1-N 3.29Å; I611-F613 VanDerWaalsContact C-N 3.34Å; I611-E614 PolarHBondContact O-N 2.83Å; I611-A615 WeakPolarHBondContact O-CB 3.27Å; I611-A615 PolarHBondContact O-N 2.83Å; I611-L627 HydrophobicContact CG2-CD1 3.97Å; I611-L631 HydrophobicContact CB-CD1 3.91Å; I611-L631 HydrophobicContact CD1-CD1 4.34Å; I611-L631 HydrophobicContact CG2-CD1 3.93Å
612	A	93.6	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-38.6	175.2	0	0	0	0	0	111.8	N609 A615 L616 L627 D634 L635 I638	N609-A612 HydrophobicContact CB-CB 4.06Å; N609-A612 PolarHBondContact O-N 3.32Å; N609-A612 PolarHBondContact OD1-N 3.12Å; A612-A615 PolarHBondContact O-N 2.9Å; A612-L616 PolarHBondContact O-N 2.79Å; A612-L627 HydrophobicContact CB-CD2 4.26Å; A612-D634 HydrophobicContact CB-CB 3.75Å; A612-L635 HydrophobicContact CB-CB 4.22Å; A612-I638 HydrophobicContact CB-CD1 3.88Å
613	F	93.9	Very high	87.8	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-44.8	174.7	-174.2	-97.3	0	0	0	112.3	F565 L567 L573 M603 V608 N609 I611 A615 L616 M617 I638	F565-F613 HydrophobicContact CB-CE1 4.29Å; F565-F613 HydrophobicContact CD1-CZ 4.36Å; F565-F613 AromaticContact CD2-CE1 3.69Å; F565-F613 HydrophobicContact CD2-CE1 3.69Å; F565-F613 AromaticContact CD2-CZ 3.72Å; F565-F613 HydrophobicContact CD2-CZ 3.72Å; F565-F613 HydrophobicContact CE1-CZ 4.31Å; F565-F613 HydrophobicContact CE2-CE1 4.12Å; F565-F613 AromaticContact CE2-CZ 3.66Å; F565-F613 HydrophobicContact CE2-CZ 3.66Å; F565-F613 AromaticContact CG-CE1 3.96Å; F565-F613 HydrophobicContact CG-CE1 3.96Å; F565-F613 HydrophobicContact CG-CZ 4.09Å; F565-F613 AromaticContact CZ-CZ 3.97Å; F565-F613 HydrophobicContact CZ-CZ 3.97Å; L567-F613 HydrophobicContact CD2-CD1 3.87Å; L567-F613 HydrophobicContact CD2-CE1 4.23Å; L573-F613 HydrophobicContact CD1-CD1 4Å; L573-F613 HydrophobicContact CD1-CE1 4.16Å; M603-F613 HydrophobicContact CE-CB 4.25Å; M603-F613 HydrophobicContact CE-CD1 3.9Å; M603-F613 HydrophobicContact CE-CD2 3.58Å; M603-F613 HydrophobicContact CE-CE1 4.12Å; M603-F613 HydrophobicContact CE-CE2 3.82Å; M603-F613 HydrophobicContact CE-CG 3.62Å; M603-F613 HydrophobicContact CE-CZ 4.08Å; M603-F613 HydrophobicContact SD-CD1 3.82Å; M603-F613 HydrophobicContact SD-CD2 4.2Å; M603-F613 HydrophobicContact SD-CE1 3.51Å; M603-F613 VanDerWaalsContact SD-CE1 3.51Å; M603-F613 HydrophobicContact SD-CE2 3.93Å; M603-F613 HydrophobicContact SD-CG 4.15Å; M603-F613 HydrophobicContact SD-CZ 3.57Å; M603-F613 VanDerWaalsContact SD-CZ 3.57Å; V608-F613 HydrophobicContact CG1-CB 4.11Å; V608-F613 HydrophobicContact CG1-CD2 4.18Å; V608-F613 HydrophobicContact CG1-CG 4.42Å; N609-F613 WeakPolarHBondContact O-CB 3.38Å; N609-F613 PolarHBondContact O-N 2.61Å; I611-F613 VanDerWaalsContact C-N 3.34Å; F613-A615 VanDerWaalsContact C-N 3.35Å; F613-A615 PolarHBondContact O-N 2.77Å; F613-L616 WeakPolarHBondContact O-CB 3.23Å; F613-L616 PolarHBondContact O-N 2.81Å; F613-M617 HydrophobicContact CD1-CG 3.98Å; F613-M617 HydrophobicContact CD2-CE 4.25Å; F613-M617 HydrophobicContact CE1-CE 4.23Å; F613-M617 HydrophobicContact CE1-CG 3.59Å; F613-M617 HydrophobicContact CE1-SD 3.84Å; F613-M617 HydrophobicContact CE2-CE 3.75Å; F613-M617 HydrophobicContact CE2-SD 4.27Å; F613-M617 HydrophobicContact CZ-CE 3.74Å; F613-M617 HydrophobicContact CZ-CG 4.01Å; F613-M617 HydrophobicContact CZ-SD 3.62Å; F613-M617 WeakPolarHBondContact O-CG 3.38Å; F613-M617 PolarHBondContact O-N 2.81Å; F613-I638 HydrophobicContact CB-CD1 4.21Å; F613-I638 HydrophobicContact CD2-CG2 3.85Å; F613-I638 HydrophobicContact CE2-CG2 4.44Å
614	E	93.1	Very high	88	Confident	31 Å²	31	46.7 Å²	46.7	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-40.5	175.5	-177	-173	156.7	0	0	112.3	F555 K571 L573 P610 I611 L616 M617 R618	F555-E614 HydrophobicContact CZ-CG 4.22Å; K571-E614 WeakPolarHBondContact CE-OE2 3.35Å; K571-E614 IonicContact NZ-OE1 2.89Å; K571-E614 PolarHBondContact NZ-OE1 2.78Å; K571-E614 VanDerWaalsContact NZ-OE1 3.1Å; K571-E614 IonicContact NZ-OE2 2.67Å; K571-E614 PolarHBondContact NZ-OE2 2.75Å; L573-E614 HydrophobicContact CD1-CB 4.13Å; L573-E614 HydrophobicContact CD1-CG 4.29Å; L573-E614 HydrophobicContact CD2-CG 4.06Å; P610-E614 VanDerWaalsContact O-CB 3.29Å; P610-E614 WeakPolarHBondContact O-CB 3.32Å; P610-E614 PolarHBondContact O-N 3.35Å; I611-E614 PolarHBondContact O-N 2.83Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.05Å; E614-M617 PolarHBondContact O-N 3.47Å; E614-R618 WeakPolarHBondContact O-CB 3.45Å; E614-R618 PolarHBondContact O-N 3.12Å; E614-R618 IonicContact OE1-CZ 3.64Å; E614-R618 IonicContact OE1-NH1 3.76Å; E614-R618 IonicContact OE1-NH2 3.61Å; E614-R618 PolarHBondContact OE1-NH2 3.41Å
615	A	92.7	Very high	89	Confident	3 Å²	3	36.7 Å²	36.7	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-39.5	173.3	0	0	0	0	0	111.8	I611 A612 F613 R618 Y619 L625 L627	I611-A615 WeakPolarHBondContact O-CB 3.27Å; I611-A615 PolarHBondContact O-N 2.83Å; A612-A615 PolarHBondContact O-N 2.9Å; F613-A615 VanDerWaalsContact C-N 3.35Å; F613-A615 PolarHBondContact O-N 2.77Å; A615-R618 PolarHBondContact O-N 2.8Å; A615-Y619 PolarHBondContact O-N 2.97Å; A615-L625 HydrophobicContact CB-CD1 4.04Å; A615-L625 HydrophobicContact CB-CG 4.22Å; A615-L627 HydrophobicContact CB-CD1 3.94Å
616	L	94.9	Very high	89.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-43.3	173.7	-172.7	64.9	0	0	0	112.5	A612 F613 E614 R618 Y619 L620 L635 I638 A639 C642 I644 L647	A612-L616 PolarHBondContact O-N 2.79Å; F613-L616 WeakPolarHBondContact O-CB 3.23Å; F613-L616 PolarHBondContact O-N 2.81Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.05Å; L616-R618 VanDerWaalsContact C-N 3.34Å; L616-Y619 PolarHBondContact O-N 3.2Å; L616-L620 WeakPolarHBondContact O-CG 3.38Å; L616-L620 PolarHBondContact O-N 3Å; L616-L635 HydrophobicContact CB-CD1 3.88Å; L616-L635 HydrophobicContact CD1-CD1 4.07Å; L616-I638 HydrophobicContact CD2-CB 4.14Å; L616-I638 HydrophobicContact CD2-CG2 3.36Å; L616-A639 HydrophobicContact CD1-CB 4.25Å; L616-C642 HydrophobicContact CD2-CB 4.32Å; L616-I644 HydrophobicContact CD1-CD1 3.68Å; L616-I644 HydrophobicContact CD2-CD1 4.04Å; L616-I644 HydrophobicContact CG-CD1 4.03Å; L616-L647 HydrophobicContact CD1-CD2 3.2Å
617	M	95	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-42.1	177.4	-61.1	-54.4	92.5	0	0	110.5	F555 F565 L573 L575 L580 F587 F613 E614 Y619 L620 Y621	F555-M617 HydrophobicContact CE2-CB 3.68Å; F555-M617 HydrophobicContact CZ-CB 4.22Å; F565-M617 HydrophobicContact CE2-SD 4.25Å; L573-M617 HydrophobicContact CD1-CG 4.11Å; L575-M617 HydrophobicContact CD1-CB 4.32Å; L575-M617 HydrophobicContact CD1-CG 3.91Å; L575-M617 HydrophobicContact CD1-SD 3.94Å; L575-M617 HydrophobicContact CD2-CB 4.45Å; L580-M617 HydrophobicContact CD2-SD 4.11Å; F587-M617 HydrophobicContact CE2-CE 3.81Å; F587-M617 HydrophobicContact CE2-SD 4.14Å; F587-M617 HydrophobicContact CZ-CE 3.8Å; F587-M617 HydrophobicContact CZ-SD 4.05Å; F613-M617 HydrophobicContact CD1-CG 3.98Å; F613-M617 HydrophobicContact CD2-CE 4.25Å; F613-M617 HydrophobicContact CE1-CE 4.23Å; F613-M617 HydrophobicContact CE1-CG 3.59Å; F613-M617 HydrophobicContact CE1-SD 3.84Å; F613-M617 HydrophobicContact CE2-CE 3.75Å; F613-M617 HydrophobicContact CE2-SD 4.27Å; F613-M617 HydrophobicContact CZ-CE 3.74Å; F613-M617 HydrophobicContact CZ-CG 4.01Å; F613-M617 HydrophobicContact CZ-SD 3.62Å; F613-M617 WeakPolarHBondContact O-CG 3.38Å; F613-M617 PolarHBondContact O-N 2.81Å; E614-M617 PolarHBondContact O-N 3.47Å; M617-Y619 PolarHBondContact O-N 3.22Å; M617-L620 HydrophobicContact CE-CD1 4.04Å; M617-L620 PolarHBondContact O-N 3.24Å; M617-L620 HydrophobicContact SD-CD1 4.43Å; M617-Y621 WeakPolarHBondContact O-CD2 3.43Å; M617-Y621 PolarHBondContact O-N 3.23Å
618	R	92.6	Very high	91.2	Very high	64 Å²	64	24.5 Å²	24.5	24%	0.242	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-46.3	174.3	-171.9	179	-72.2	98.2	-1	111.6	F555 E614 A615 L616 L620 Y621 T622	F555-R618 HydrophobicContact CD1-CB 4.31Å; F555-R618 HydrophobicContact CD1-CG 4.22Å; F555-R618 HydrophobicContact CE1-CB 3.81Å; F555-R618 HydrophobicContact CE1-CG 4.08Å; F555-R618 HydrophobicContact CE2-CB 4.39Å; F555-R618 HydrophobicContact CZ-CB 3.85Å; E614-R618 WeakPolarHBondContact O-CB 3.45Å; E614-R618 PolarHBondContact O-N 3.12Å; E614-R618 IonicContact OE1-CZ 3.64Å; E614-R618 IonicContact OE1-NH1 3.76Å; E614-R618 IonicContact OE1-NH2 3.61Å; E614-R618 PolarHBondContact OE1-NH2 3.41Å; A615-R618 PolarHBondContact O-N 2.8Å; L616-R618 VanDerWaalsContact C-N 3.34Å; R618-L620 VanDerWaalsContact C-N 3.29Å; R618-L620 PolarHBondContact O-N 3.19Å; R618-Y621 WeakPolarHBondContact O-CB 3.27Å; R618-Y621 PolarHBondContact O-N 2.74Å; R618-T622 HydrophobicContact CG-CG2 4.46Å; R618-T622 PolarHBondContact O-N 3.21Å; R618-T622 PolarHBondContact O-OG1 2.87Å
619	Y	92.7	Very high	91.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-36.6	176.6	174	-96.1	0	0	0	113.7	A615 L616 M617 Y621 G623 S624 L625 I644 S646 L647 K650 I675	A615-Y619 PolarHBondContact O-N 2.97Å; L616-Y619 PolarHBondContact O-N 3.2Å; M617-Y619 PolarHBondContact O-N 3.22Å; Y619-Y621 VanDerWaalsContact C-N 3.29Å; Y619-Y621 PolarHBondContact O-N 3.41Å; Y619-G623 WeakPolarHBondContact CD2-O 3.24Å; Y619-G623 WeakPolarHBondContact CE2-O 3.35Å; Y619-G623 VanDerWaalsContact O-CA 3.26Å; Y619-G623 WeakPolarHBondContact O-CA 3.26Å; Y619-G623 PolarHBondContact O-N 3.13Å; Y619-S624 WeakPolarHBondContact CA-O 3.47Å; Y619-L625 HydrophobicContact CD2-CB 4.23Å; Y619-I644 HydrophobicContact CE1-CG2 4.15Å; Y619-S646 PolarHBondContact OH-OG 2.91Å; Y619-L647 HydrophobicContact CD1-CB 4.27Å; Y619-L647 HydrophobicContact CD1-CD1 4.25Å; Y619-L647 HydrophobicContact CD1-CD2 4.03Å; Y619-L647 HydrophobicContact CD1-CG 4.42Å; Y619-L647 HydrophobicContact CD2-CD1 4Å; Y619-L647 HydrophobicContact CE1-CB 3.73Å; Y619-L647 HydrophobicContact CE1-CD1 4.18Å; Y619-L647 HydrophobicContact CE1-CD2 4.35Å; Y619-L647 HydrophobicContact CE1-CG 4.3Å; Y619-L647 HydrophobicContact CE2-CD1 3.9Å; Y619-L647 HydrophobicContact CG-CD1 4.17Å; Y619-L647 HydrophobicContact CG-CD2 4.37Å; Y619-K650 PolarHBondContact OH-NZ 3.31Å; Y619-I675 HydrophobicContact CE2-CG2 4.39Å
620	L	93	Very high	91.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-39.7	176.6	-66.6	169.9	0	0	0	111.2	L580 R583 F587 L616 M617 R618 I644	L580-L620 HydrophobicContact CD2-CD1 3.7Å; R583-L620 HydrophobicContact CB-CB 4.08Å; R583-L620 HydrophobicContact CB-CD2 3.71Å; R583-L620 HydrophobicContact CB-CG 4.45Å; R583-L620 VanDerWaalsContact CG-O 3.31Å; R583-L620 WeakPolarHBondContact CG-O 3.43Å; R583-L620 PolarHBondContact NE-O 3.07Å; F587-L620 HydrophobicContact CD2-CD1 4.03Å; F587-L620 HydrophobicContact CE2-CD1 3.73Å; L616-L620 WeakPolarHBondContact O-CG 3.38Å; L616-L620 PolarHBondContact O-N 3Å; M617-L620 HydrophobicContact CE-CD1 4.04Å; M617-L620 PolarHBondContact O-N 3.24Å; M617-L620 HydrophobicContact SD-CD1 4.43Å; R618-L620 VanDerWaalsContact C-N 3.29Å; R618-L620 PolarHBondContact O-N 3.19Å; L620-I644 HydrophobicContact CD1-CD1 4.41Å; L620-I644 HydrophobicContact CD2-CD1 3.88Å; L620-I644 HydrophobicContact CD2-CG1 4.42Å; L620-I644 HydrophobicContact CG-CD1 4.45Å
621	Y	91.3	Very high	91.7	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-74.8	-51.7	177.7	-82.7	-110.7	0	0	0	113.1	I551 L554 F555 L575 H576 V579 L580 M617 R618 Y619	I551-Y621 HydrophobicContact CG2-CD1 3.83Å; I551-Y621 HydrophobicContact CG2-CG 4.33Å; I551-Y621 VanDerWaalsContact CG2-O 3.22Å; I551-Y621 WeakPolarHBondContact CG2-O 3.4Å; L554-Y621 HydrophobicContact CD2-CE1 4.39Å; L554-Y621 HydrophobicContact CG-CE1 4.42Å; F555-Y621 HydrophobicContact CB-CD1 3.71Å; F555-Y621 HydrophobicContact CB-CE1 4.2Å; F555-Y621 HydrophobicContact CB-CG 3.91Å; F555-Y621 HydrophobicContact CD2-CD1 4.4Å; F555-Y621 AromaticContact CD2-CD2 3.79Å; F555-Y621 HydrophobicContact CD2-CD2 3.79Å; F555-Y621 HydrophobicContact CD2-CE2 4.04Å; F555-Y621 AromaticContact CD2-CG 3.98Å; F555-Y621 HydrophobicContact CD2-CG 3.98Å; F555-Y621 HydrophobicContact CG-CG 4.33Å; L575-Y621 HydrophobicContact CD2-CE2 4.05Å; H576-Y621 WeakPolarHBondContact CB-OH 3.35Å; H576-Y621 PolarHBondContact N-OH 2.86Å; H576-Y621 AromaticContact ND1-CE1 3.79Å; H576-Y621 AromaticContact ND1-CZ 3.71Å; H576-Y621 PolarHBondContact ND1-OH 3.22Å; V579-Y621 HydrophobicContact CB-CE1 4.29Å; V579-Y621 HydrophobicContact CB-CE2 4.15Å; V579-Y621 HydrophobicContact CG1-CD1 4.07Å; V579-Y621 HydrophobicContact CG1-CD2 3.77Å; V579-Y621 HydrophobicContact CG1-CE1 4.04Å; V579-Y621 HydrophobicContact CG1-CE2 3.72Å; V579-Y621 HydrophobicContact CG1-CG 3.95Å; V579-Y621 HydrophobicContact CG2-CE1 4.08Å; L580-Y621 HydrophobicContact CD2-CE2 4.43Å; M617-Y621 WeakPolarHBondContact O-CD2 3.43Å; M617-Y621 PolarHBondContact O-N 3.23Å; R618-Y621 WeakPolarHBondContact O-CB 3.27Å; R618-Y621 PolarHBondContact O-N 2.74Å; Y619-Y621 VanDerWaalsContact C-N 3.29Å; Y619-Y621 PolarHBondContact O-N 3.41Å
622	T	88.7	Confident	91.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-104.5	-10.1	-165.7	62.7	0	0	0	0	114.6	R552 R618 S624 L684	R552-T622 HydrophobicContact CB-CG2 3.78Å; R552-T622 HydrophobicContact CG-CG2 4.16Å; R618-T622 HydrophobicContact CG-CG2 4.46Å; R618-T622 PolarHBondContact O-N 3.21Å; R618-T622 PolarHBondContact O-OG1 2.87Å; T622-S624 WeakPolarHBondContact CB-OG 3.43Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 PolarHBondContact OG1-N 3.22Å; T622-S624 PolarHBondContact OG1-O 3.12Å; T622-S624 PolarHBondContact OG1-OG 2.92Å; T622-L684 WeakPolarHBondContact O-CD1 3.46Å
623	G	89	Confident	91.7	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	16%	0.164	C	C	.	.	S	Bend	trans	64	-0.1	-170	0	0	0	0	0	114.4	Y619	Y619-G623 WeakPolarHBondContact CD2-O 3.24Å; Y619-G623 WeakPolarHBondContact CE2-O 3.35Å; Y619-G623 VanDerWaalsContact O-CA 3.26Å; Y619-G623 WeakPolarHBondContact O-CA 3.26Å; Y619-G623 PolarHBondContact O-N 3.13Å
624	S	87.9	Confident	91.7	Very high	40 Å²	40	34.4 Å²	34.4	28%	0.28	17%	0.173	S	C	.	.			trans	-105.2	147.6	177.5	62.2	0	0	0	0	111.2	Y619 T622 I675	Y619-S624 WeakPolarHBondContact CA-O 3.47Å; T622-S624 WeakPolarHBondContact CB-OG 3.43Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 PolarHBondContact OG1-N 3.22Å; T622-S624 PolarHBondContact OG1-O 3.12Å; T622-S624 PolarHBondContact OG1-OG 2.92Å; S624-I675 CarbonylContact C-O 3.56Å; S624-I675 VanDerWaalsContact CA-O 3.27Å; S624-I675 WeakPolarHBondContact CA-O 3.43Å
625	L	90.1	Very high	91.8	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.3	175.7	-175.3	139.1	0	0	0	109.8	A615 Y619 L627 L635 L647 I673 V674 I675	A615-L625 HydrophobicContact CB-CD1 4.04Å; A615-L625 HydrophobicContact CB-CG 4.22Å; Y619-L625 HydrophobicContact CD2-CB 4.23Å; L625-L627 HydrophobicContact CD2-CB 3.83Å; L625-L635 HydrophobicContact CD1-CD1 4.01Å; L625-L635 HydrophobicContact CD1-CD2 3.5Å; L625-L635 VanDerWaalsContact CD1-CD2 3.5Å; L625-L635 HydrophobicContact CD1-CG 4.41Å; L625-L635 HydrophobicContact CD2-CD2 3.65Å; L625-L635 HydrophobicContact CG-CD2 4.22Å; L625-L647 HydrophobicContact CD1-CD1 4.4Å; L625-L647 HydrophobicContact CD1-CD2 4.43Å; L625-I673 HydrophobicContact CD2-CG2 4.43Å; L625-V674 CarbonylContact O-C 3.56Å; L625-V674 WeakPolarHBondContact O-CA 3.3Å; L625-I675 HydrophobicContact CB-CB 4.29Å; L625-I675 PolarHBondContact N-O 2.97Å; L625-I675 PolarHBondContact O-N 3.32Å
626	E	89.2	Confident	91.9	Very high	108 Å²	108	34.1 Å²	34.1	51%	0.505	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.4	162.7	-173.9	-173.3	-177.1	0	0	107.8	N672 I673 V674	E626-N672 HydrophobicContact CG-CB 4.43Å; E626-N672 PolarHBondContact OE1-ND2 3.11Å; E626-I673 WeakPolarHBondContact CA-O 3.24Å; E626-V674 HydrophobicContact CG-CG2 4.3Å
627	L	91.3	Very high	91.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.4	177.4	-172.3	71.3	0	0	0	110.7	I611 A612 A615 L625 I629 L631 L635 N672 I673	I611-L627 HydrophobicContact CG2-CD1 3.97Å; A612-L627 HydrophobicContact CB-CD2 4.26Å; A615-L627 HydrophobicContact CB-CD1 3.94Å; L625-L627 HydrophobicContact CD2-CB 3.83Å; L627-I629 PolarHBondContact O-N 2.92Å; L627-L631 HydrophobicContact CD1-CB 4.01Å; L627-L631 HydrophobicContact CD1-CD1 3.99Å; L627-L631 HydrophobicContact CD2-CB 3.82Å; L627-L631 WeakPolarHBondContact CD2-O 3.47Å; L627-L631 HydrophobicContact CG-CB 3.86Å; L627-L635 HydrophobicContact CD2-CB 3.6Å; L627-L635 HydrophobicContact CD2-CD2 3.66Å; L627-L635 HydrophobicContact CD2-CG 4.18Å; L627-N672 CarbonylContact O-C 3.58Å; L627-N672 WeakPolarHBondContact O-CA 3.4Å; L627-I673 PolarHBondContact N-O 3.47Å; L627-I673 PolarHBondContact O-N 3.09Å
628	P	91	Very high	91.8	Very high	43 Å²	43	38.8 Å²	38.8	28%	0.279	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	136.3	171.1	-26.6	36.6	0	0	0	112	H630 L631	P628-H630 WeakPolarHBondContact CB-CE1 3.45Å; P628-H630 PolarHBondContact O-N 2.96Å; P628-H630 VanDerWaalsContact O-N 3.09Å; P628-L631 PolarHBondContact O-N 2.81Å
629	I	89.8	Confident	91.8	Very high	59 Å²	59	35.8 Å²	35.8	30%	0.303	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.6	-170.4	-163.9	164.9	0	0	0	113.4	L627 L631 K632 T658 V670 T671 I673	L627-I629 PolarHBondContact O-N 2.92Å; I629-L631 PolarHBondContact O-N 3.12Å; I629-K632 WeakPolarHBondContact O-CB 3.33Å; I629-K632 PolarHBondContact O-N 2.97Å; I629-K632 VanDerWaalsContact O-N 3.1Å; I629-T658 HydrophobicContact CD1-CG2 4.26Å; I629-V670 HydrophobicContact CD1-CB 4.5Å; I629-V670 VanDerWaalsContact CD1-O 3.26Å; I629-V670 WeakPolarHBondContact CD1-O 3.37Å; I629-V670 WeakPolarHBondContact CG2-O 3.45Å; I629-T671 WeakPolarHBondContact CG2-O 3.35Å; I629-T671 PolarHBondContact N-O 3.45Å; I629-I673 HydrophobicContact CB-CG1 4.46Å; I629-I673 HydrophobicContact CG1-CD1 4.26Å; I629-I673 HydrophobicContact CG1-CG1 4.12Å
630	H	90.7	Very high	91.9	Very high	148 Å²	148	42.2 Å²	42.2	69%	0.685	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-68.7	-13.8	176.9	67.5	-91.1	0	0	0	113.7	P628	P628-H630 WeakPolarHBondContact CB-CE1 3.45Å; P628-H630 PolarHBondContact O-N 2.96Å; P628-H630 VanDerWaalsContact O-N 3.09Å
631	L	93.6	Very high	91.8	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-99.8	6.2	174.2	-54.6	-171.9	0	0	0	112.8	N609 I611 L627 P628 I629 D633 D634 L635	N609-L631 VanDerWaalsContact ND2-CD2 3.26Å; N609-L631 WeakPolarHBondContact ND2-CD2 3.24Å; I611-L631 HydrophobicContact CB-CD1 3.91Å; I611-L631 HydrophobicContact CD1-CD1 4.34Å; I611-L631 HydrophobicContact CG2-CD1 3.93Å; L627-L631 HydrophobicContact CD1-CB 4.01Å; L627-L631 HydrophobicContact CD1-CD1 3.99Å; L627-L631 HydrophobicContact CD2-CB 3.82Å; L627-L631 WeakPolarHBondContact CD2-O 3.47Å; L627-L631 HydrophobicContact CG-CB 3.86Å; P628-L631 PolarHBondContact O-N 2.81Å; I629-L631 PolarHBondContact O-N 3.12Å; L631-D633 VanDerWaalsContact C-N 3.33Å; L631-D633 PolarHBondContact O-N 3.5Å; L631-D634 WeakPolarHBondContact O-CB 3.45Å; L631-D634 PolarHBondContact O-N 3.37Å; L631-L635 PolarHBondContact O-N 2.72Å; L631-L635 VanDerWaalsContact O-N 3.11Å
632	K	92.8	Very high	91.8	Very high	51 Å²	51	49 Å²	49	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-51	-50.8	178	173.9	-170.5	155.8	-105.1	0	111.9	I629 L635 V636 M651 C655 I673	I629-K632 WeakPolarHBondContact O-CB 3.33Å; I629-K632 PolarHBondContact O-N 2.97Å; I629-K632 VanDerWaalsContact O-N 3.1Å; K632-L635 WeakPolarHBondContact O-CB 3.47Å; K632-L635 PolarHBondContact O-N 2.92Å; K632-L635 VanDerWaalsContact O-N 3.15Å; K632-V636 HydrophobicContact CG-CG2 4.36Å; K632-V636 WeakPolarHBondContact O-CG2 3.49Å; K632-V636 PolarHBondContact O-N 3.07Å; K632-M651 HydrophobicContact CG-CE 3.89Å; K632-C655 WeakPolarHBondContact CE-SG 3.34Å; K632-I673 HydrophobicContact CB-CD1 3.63Å; K632-I673 HydrophobicContact CD-CD1 4.01Å; K632-I673 HydrophobicContact CG-CD1 3.64Å
633	D	93.2	Very high	91.9	Very high	103 Å²	103	54.9 Å²	54.9	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-78	-27	-169	-61.7	-43.5	0	0	0	112.1	L631 V636 M637	L631-D633 VanDerWaalsContact C-N 3.33Å; L631-D633 PolarHBondContact O-N 3.5Å; D633-V636 PolarHBondContact O-N 3.33Å; D633-M637 WeakPolarHBondContact O-CB 3.4Å; D633-M637 PolarHBondContact O-N 3.41Å
634	D	93.5	Very high	92.1	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-51.2	162.6	-72.9	-34.4	0	0	0	110.4	N609 A612 L631 V636 M637 I638	N609-D634 HydrophobicContact CB-CB 3.87Å; N609-D634 WeakPolarHBondContact CB-OD2 3.37Å; N609-D634 PolarHBondContact ND2-OD2 3.12Å; A612-D634 HydrophobicContact CB-CB 3.75Å; L631-D634 WeakPolarHBondContact O-CB 3.45Å; L631-D634 PolarHBondContact O-N 3.37Å; D634-V636 PolarHBondContact O-N 3.23Å; D634-M637 PolarHBondContact O-N 2.94Å; D634-I638 WeakPolarHBondContact O-CD1 3.42Å; D634-I638 WeakPolarHBondContact O-CG1 3.39Å; D634-I638 PolarHBondContact O-N 3.35Å
635	L	94.8	Very high	92.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-42.5	179.6	177.4	65.4	0	0	0	112.2	A612 L616 L625 L627 L631 K632 M637 I638 A639 L647 M651	A612-L635 HydrophobicContact CB-CB 4.22Å; L616-L635 HydrophobicContact CB-CD1 3.88Å; L616-L635 HydrophobicContact CD1-CD1 4.07Å; L625-L635 HydrophobicContact CD1-CD1 4.01Å; L625-L635 HydrophobicContact CD1-CD2 3.5Å; L625-L635 VanDerWaalsContact CD1-CD2 3.5Å; L625-L635 HydrophobicContact CD1-CG 4.41Å; L625-L635 HydrophobicContact CD2-CD2 3.65Å; L625-L635 HydrophobicContact CG-CD2 4.22Å; L627-L635 HydrophobicContact CD2-CB 3.6Å; L627-L635 HydrophobicContact CD2-CD2 3.66Å; L627-L635 HydrophobicContact CD2-CG 4.18Å; L631-L635 PolarHBondContact O-N 2.72Å; L631-L635 VanDerWaalsContact O-N 3.11Å; K632-L635 WeakPolarHBondContact O-CB 3.47Å; K632-L635 PolarHBondContact O-N 2.92Å; K632-L635 VanDerWaalsContact O-N 3.15Å; L635-M637 VanDerWaalsContact C-N 3.33Å; L635-M637 PolarHBondContact O-N 2.95Å; L635-I638 PolarHBondContact O-N 3.3Å; L635-A639 WeakPolarHBondContact O-CB 3.43Å; L635-A639 PolarHBondContact O-N 3.08Å; L635-L647 HydrophobicContact CD1-CD2 4.29Å; L635-M651 HydrophobicContact CB-CE 4.17Å; L635-M651 HydrophobicContact CD2-CE 3.58Å; L635-M651 HydrophobicContact CD2-SD 3.54Å; L635-M651 VanDerWaalsContact CD2-SD 3.54Å; L635-M651 HydrophobicContact CG-CE 3.94Å; L635-M651 HydrophobicContact CG-SD 3.72Å
636	V	94.6	Very high	92.3	Very high	29 Å²	29	58.1 Å²	58.1	18%	0.176	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-43.1	175.7	170.9	0	0	0	0	110.9	K632 D633 D634 K640 L648 M651	K632-V636 HydrophobicContact CG-CG2 4.36Å; K632-V636 WeakPolarHBondContact O-CG2 3.49Å; K632-V636 PolarHBondContact O-N 3.07Å; D633-V636 PolarHBondContact O-N 3.33Å; D634-V636 PolarHBondContact O-N 3.23Å; V636-K640 HydrophobicContact CG1-CD 4.12Å; V636-K640 WeakPolarHBondContact O-CB 3.46Å; V636-K640 VanDerWaalsContact O-CG 3.3Å; V636-K640 WeakPolarHBondContact O-CG 3.13Å; V636-K640 PolarHBondContact O-N 3.26Å; V636-L648 HydrophobicContact CG1-CD2 4.14Å; V636-M651 HydrophobicContact CG2-CE 3.54Å; V636-M651 HydrophobicContact CG2-SD 4Å
637	M	93.5	Very high	92.4	Very high	89 Å²	89	53 Å²	53	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-47.8	176.8	176.4	176.2	58	0	0	111.5	H607 D633 D634 L635 Q641	H607-M637 HydrophobicContact CB-CE 4.45Å; H607-M637 WeakPolarHBondContact O-CE 3.22Å; D633-M637 WeakPolarHBondContact O-CB 3.4Å; D633-M637 PolarHBondContact O-N 3.41Å; D634-M637 PolarHBondContact O-N 2.94Å; L635-M637 VanDerWaalsContact C-N 3.33Å; L635-M637 PolarHBondContact O-N 2.95Å; M637-Q641 PolarHBondContact O-N 3.04Å
638	I	93.4	Very high	92.5	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-43.4	-179.6	-55.8	159.2	0	0	0	110.5	V608 A612 F613 L616 D634 L635 K640 Q641 C642	V608-I638 HydrophobicContact CG1-CD1 3.81Å; V608-I638 HydrophobicContact CG1-CG1 4.02Å; A612-I638 HydrophobicContact CB-CD1 3.88Å; F613-I638 HydrophobicContact CB-CD1 4.21Å; F613-I638 HydrophobicContact CD2-CG2 3.85Å; F613-I638 HydrophobicContact CE2-CG2 4.44Å; L616-I638 HydrophobicContact CD2-CB 4.14Å; L616-I638 HydrophobicContact CD2-CG2 3.36Å; D634-I638 WeakPolarHBondContact O-CD1 3.42Å; D634-I638 WeakPolarHBondContact O-CG1 3.39Å; D634-I638 PolarHBondContact O-N 3.35Å; L635-I638 PolarHBondContact O-N 3.3Å; I638-K640 VanDerWaalsContact C-N 3.35Å; I638-K640 PolarHBondContact O-N 2.69Å; I638-Q641 PolarHBondContact O-N 3.19Å; I638-Q641 VanDerWaalsContact O-N 3.16Å; I638-C642 WeakPolarHBondContact O-CB 3.35Å; I638-C642 PolarHBondContact O-N 3.44Å
639	A	94.6	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-37.2	179.4	0	0	0	0	0	112.7	L616 L635 C642 K643 I644 L647 L648	L616-A639 HydrophobicContact CD1-CB 4.25Å; L635-A639 WeakPolarHBondContact O-CB 3.43Å; L635-A639 PolarHBondContact O-N 3.08Å; A639-C642 CarbonylContact O-C 3.57Å; A639-K643 PolarHBondContact O-N 3.13Å; A639-K643 VanDerWaalsContact O-N 3.14Å; A639-I644 PolarHBondContact O-N 2.84Å; A639-L647 HydrophobicContact CB-CD2 4.01Å; A639-L648 HydrophobicContact CB-CD2 3.8Å; A639-L648 HydrophobicContact CB-CG 4.2Å
640	K	94.1	Very high	92.7	Very high	137 Å²	137	58.2 Å²	58.2	60%	0.596	29%	0.293	S	S	*	.	H	α-helix	trans	-61.3	-50	168.9	-77.2	176.1	178.6	-177.8	0	111.4	V636 I638 C642 K643 L648	V636-K640 HydrophobicContact CG1-CD 4.12Å; V636-K640 WeakPolarHBondContact O-CB 3.46Å; V636-K640 VanDerWaalsContact O-CG 3.3Å; V636-K640 WeakPolarHBondContact O-CG 3.13Å; V636-K640 PolarHBondContact O-N 3.26Å; I638-K640 VanDerWaalsContact C-N 3.35Å; I638-K640 PolarHBondContact O-N 2.69Å; K640-C642 VanDerWaalsContact C-N 3.28Å; K640-C642 PolarHBondContact O-N 2.93Å; K640-K643 PolarHBondContact O-N 2.64Å; K640-L648 HydrophobicContact CG-CD1 3.68Å; K640-L648 HydrophobicContact CG-CD2 3.96Å
641	Q	90.5	Very high	92.7	Very high	139 Å²	139	51.3 Å²	51.3	65%	0.65	26%	0.261	S	S	*	.	H	α-helix	trans	-60.9	-36.7	179.5	-168.5	69	-0.7	0	0	112.5	F586 M637 I638 K643	F586-Q641 WeakPolarHBondContact CD2-O 3.38Å; F586-Q641 WeakPolarHBondContact CE2-O 3.37Å; M637-Q641 PolarHBondContact O-N 3.04Å; I638-Q641 PolarHBondContact O-N 3.19Å; I638-Q641 VanDerWaalsContact O-N 3.16Å; Q641-K643 VanDerWaalsContact C-N 3.3Å; Q641-K643 PolarHBondContact O-N 2.63Å
642	C	91.7	Very high	92.6	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.2	176	-68.6	0	0	0	0	114.4	S584 F586 L616 I638 A639 K640 I644	S584-C642 PolarHBondContact OG-O 2.71Å; S584-C642 VanDerWaalsContact OG-O 3.12Å; F586-C642 WeakPolarHBondContact CB-O 3.48Å; F586-C642 HydrophobicContact CD1-CB 4.23Å; F586-C642 HydrophobicContact CG-CB 4.44Å; L616-C642 HydrophobicContact CD2-CB 4.32Å; I638-C642 WeakPolarHBondContact O-CB 3.35Å; I638-C642 PolarHBondContact O-N 3.44Å; A639-C642 CarbonylContact O-C 3.57Å; K640-C642 VanDerWaalsContact C-N 3.28Å; K640-C642 PolarHBondContact O-N 2.93Å; C642-I644 VanDerWaalsContact C-N 3.3Å; C642-I644 HydrophobicContact CB-CD1 3.66Å; C642-I644 HydrophobicContact CB-CG1 4.04Å; C642-I644 WeakPolarHBondContact O-CG1 3.2Å; C642-I644 PolarHBondContact O-N 3.12Å
643	K	91.6	Very high	92.5	Very high	125 Å²	125	56.8 Å²	56.8	54%	0.543	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.9	177.6	-53.9	175.8	178	176.1	0	114.3	F586 E589 A639 K640 Q641 A645	F586-K643 HydrophobicContact CB-CB 4.42Å; F586-K643 HydrophobicContact CB-CD 4.38Å; F586-K643 HydrophobicContact CB-CG 4.36Å; E589-K643 IonicContact OE2-NZ 3.37Å; E589-K643 PolarHBondContact OE2-NZ 2.87Å; A639-K643 PolarHBondContact O-N 3.13Å; A639-K643 VanDerWaalsContact O-N 3.14Å; K640-K643 PolarHBondContact O-N 2.64Å; Q641-K643 VanDerWaalsContact C-N 3.3Å; Q641-K643 PolarHBondContact O-N 2.63Å; K643-A645 PolarHBondContact O-N 3.23Å
644	I	92.5	Very high	92.3	Very high	9 Å²	9	53 Å²	53	5%	0.046	27%	0.269	C	S	.	.			trans	-93.6	83.3	-174.9	-58	160.9	0	0	0	110	L616 Y619 L620 A639 C642 L647 L648	L616-I644 HydrophobicContact CD1-CD1 3.68Å; L616-I644 HydrophobicContact CD2-CD1 4.04Å; L616-I644 HydrophobicContact CG-CD1 4.03Å; Y619-I644 HydrophobicContact CE1-CG2 4.15Å; L620-I644 HydrophobicContact CD1-CD1 4.41Å; L620-I644 HydrophobicContact CD2-CD1 3.88Å; L620-I644 HydrophobicContact CD2-CG1 4.42Å; L620-I644 HydrophobicContact CG-CD1 4.45Å; A639-I644 PolarHBondContact O-N 2.84Å; C642-I644 VanDerWaalsContact C-N 3.3Å; C642-I644 HydrophobicContact CB-CD1 3.66Å; C642-I644 HydrophobicContact CB-CG1 4.04Å; C642-I644 WeakPolarHBondContact O-CG1 3.2Å; C642-I644 PolarHBondContact O-N 3.12Å; I644-L647 HydrophobicContact CB-CB 4.48Å; I644-L647 HydrophobicContact CG2-CB 3.66Å; I644-L647 PolarHBondContact O-N 3.15Å; I644-L648 PolarHBondContact O-N 3.32Å
645	A	91.3	Very high	92	Very high	72 Å²	72	51.9 Å²	51.9	60%	0.595	27%	0.265	S	S	*	.	H	α-helix	trans	-61.7	-47	-174.5	0	0	0	0	0	113.9	K643 L647 L648 E649	K643-A645 PolarHBondContact O-N 3.23Å; A645-L647 PolarHBondContact O-N 2.95Å; A645-L648 PolarHBondContact O-N 2.63Å; A645-E649 PolarHBondContact O-N 2.69Å; A645-E649 VanDerWaalsContact O-N 3.1Å
646	S	89.8	Confident	91.8	Very high	35 Å²	35	58.1 Å²	58.1	25%	0.245	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-29.5	-176.6	74.1	0	0	0	0	113.1	Y619 K650 E683	Y619-S646 PolarHBondContact OH-OG 2.91Å; S646-K650 WeakPolarHBondContact O-CB 3.49Å; S646-K650 WeakPolarHBondContact O-CD 3.32Å; S646-K650 WeakPolarHBondContact O-CG 3.26Å; S646-K650 PolarHBondContact O-N 3.02Å; S646-K650 VanDerWaalsContact O-N 3.12Å; S646-E683 PolarHBondContact OG-OE2 3.45Å
647	L	92.6	Very high	91.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-71.1	-41.6	173.2	-178.8	59.7	0	0	0	111.8	L616 Y619 L625 L635 A639 I644 A645 E649 K650 M651 I675	L616-L647 HydrophobicContact CD1-CD2 3.2Å; Y619-L647 HydrophobicContact CD1-CB 4.27Å; Y619-L647 HydrophobicContact CD1-CD1 4.25Å; Y619-L647 HydrophobicContact CD1-CD2 4.03Å; Y619-L647 HydrophobicContact CD1-CG 4.42Å; Y619-L647 HydrophobicContact CD2-CD1 4Å; Y619-L647 HydrophobicContact CE1-CB 3.73Å; Y619-L647 HydrophobicContact CE1-CD1 4.18Å; Y619-L647 HydrophobicContact CE1-CD2 4.35Å; Y619-L647 HydrophobicContact CE1-CG 4.3Å; Y619-L647 HydrophobicContact CE2-CD1 3.9Å; Y619-L647 HydrophobicContact CG-CD1 4.17Å; Y619-L647 HydrophobicContact CG-CD2 4.37Å; L625-L647 HydrophobicContact CD1-CD1 4.4Å; L625-L647 HydrophobicContact CD1-CD2 4.43Å; L635-L647 HydrophobicContact CD1-CD2 4.29Å; A639-L647 HydrophobicContact CB-CD2 4.01Å; I644-L647 HydrophobicContact CB-CB 4.48Å; I644-L647 HydrophobicContact CG2-CB 3.66Å; I644-L647 PolarHBondContact O-N 3.15Å; A645-L647 PolarHBondContact O-N 2.95Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.44Å; L647-K650 PolarHBondContact O-N 3.5Å; L647-M651 HydrophobicContact CD1-CG 4.01Å; L647-M651 HydrophobicContact CD1-SD 4.45Å; L647-M651 HydrophobicContact CG-CG 4.19Å; L647-M651 HydrophobicContact CG-SD 4.18Å; L647-M651 VanDerWaalsContact O-CB 3.3Å; L647-M651 WeakPolarHBondContact O-CB 3.33Å; L647-M651 VanDerWaalsContact O-CG 3.24Å; L647-M651 WeakPolarHBondContact O-CG 3.27Å; L647-M651 PolarHBondContact O-N 3.21Å; L647-I675 HydrophobicContact CD1-CD1 3.6Å
648	L	93.5	Very high	91.1	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-41.6	-179.6	-67.3	170.9	0	0	0	111.3	V636 A639 K640 I644 A645 M651 E652	V636-L648 HydrophobicContact CG1-CD2 4.14Å; A639-L648 HydrophobicContact CB-CD2 3.8Å; A639-L648 HydrophobicContact CB-CG 4.2Å; K640-L648 HydrophobicContact CG-CD1 3.68Å; K640-L648 HydrophobicContact CG-CD2 3.96Å; I644-L648 PolarHBondContact O-N 3.32Å; A645-L648 PolarHBondContact O-N 2.63Å; L648-M651 PolarHBondContact O-N 2.89Å; L648-E652 PolarHBondContact O-N 3.16Å
649	E	92.3	Very high	90.8	Very high	126 Å²	126	68.5 Å²	68.5	59%	0.589	33%	0.325	S	S	*	.	H	α-helix	trans	-62.6	-51.1	173.7	-176.2	179.9	-175.9	0	0	111.9	A645 L647 M651 E652 I653	A645-E649 PolarHBondContact O-N 2.69Å; A645-E649 VanDerWaalsContact O-N 3.1Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.44Å; E649-M651 VanDerWaalsContact C-N 3.28Å; E649-M651 PolarHBondContact O-N 3.4Å; E649-E652 PolarHBondContact O-N 2.96Å; E649-E652 VanDerWaalsContact O-N 3.09Å; E649-I653 HydrophobicContact CG-CD1 3.99Å; E649-I653 WeakPolarHBondContact O-CG1 3.41Å; E649-I653 PolarHBondContact O-N 3.5Å
650	K	91.5	Very high	90.4	Very high	41 Å²	41	73.7 Å²	73.7	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-37.8	176	-72.4	171.2	-170.7	175.2	0	112.5	Y619 S646 L647 C654 I675 E683	Y619-K650 PolarHBondContact OH-NZ 3.31Å; S646-K650 WeakPolarHBondContact O-CB 3.49Å; S646-K650 WeakPolarHBondContact O-CD 3.32Å; S646-K650 WeakPolarHBondContact O-CG 3.26Å; S646-K650 PolarHBondContact O-N 3.02Å; S646-K650 VanDerWaalsContact O-N 3.12Å; L647-K650 PolarHBondContact O-N 3.5Å; K650-C654 WeakPolarHBondContact O-CB 3.45Å; K650-C654 PolarHBondContact O-N 2.88Å; K650-I675 HydrophobicContact CB-CD1 4.06Å; K650-I675 HydrophobicContact CB-CG2 4.21Å; K650-I675 HydrophobicContact CD-CG2 4.01Å; K650-E683 WeakPolarHBondContact CE-OE1 3.36Å; K650-E683 IonicContact NZ-OE1 3.21Å; K650-E683 PolarHBondContact NZ-OE1 3.32Å; K650-E683 IonicContact NZ-OE2 3.59Å; K650-E683 PolarHBondContact NZ-OE2 2.75Å
651	M	91.6	Very high	90	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-41.3	174.2	-78.4	-171.4	77.9	0	0	111.7	K632 L635 V636 L647 L648 E649 C654 C655 I673 I675	K632-M651 HydrophobicContact CG-CE 3.89Å; L635-M651 HydrophobicContact CB-CE 4.17Å; L635-M651 HydrophobicContact CD2-CE 3.58Å; L635-M651 HydrophobicContact CD2-SD 3.54Å; L635-M651 VanDerWaalsContact CD2-SD 3.54Å; L635-M651 HydrophobicContact CG-CE 3.94Å; L635-M651 HydrophobicContact CG-SD 3.72Å; V636-M651 HydrophobicContact CG2-CE 3.54Å; V636-M651 HydrophobicContact CG2-SD 4Å; L647-M651 HydrophobicContact CD1-CG 4.01Å; L647-M651 HydrophobicContact CD1-SD 4.45Å; L647-M651 HydrophobicContact CG-CG 4.19Å; L647-M651 HydrophobicContact CG-SD 4.18Å; L647-M651 VanDerWaalsContact O-CB 3.3Å; L647-M651 WeakPolarHBondContact O-CB 3.33Å; L647-M651 VanDerWaalsContact O-CG 3.24Å; L647-M651 WeakPolarHBondContact O-CG 3.27Å; L647-M651 PolarHBondContact O-N 3.21Å; L648-M651 PolarHBondContact O-N 2.89Å; E649-M651 VanDerWaalsContact C-N 3.28Å; E649-M651 PolarHBondContact O-N 3.4Å; M651-C654 PolarHBondContact O-N 3Å; M651-C655 WeakPolarHBondContact O-CB 3.48Å; M651-C655 PolarHBondContact O-N 2.96Å; M651-C655 PolarHBondContact O-SG 3.43Å; M651-I673 HydrophobicContact CE-CD1 4.44Å; M651-I675 HydrophobicContact CG-CD1 3.71Å
652	E	91.4	Very high	89.7	Confident	118 Å²	118	64.7 Å²	64.7	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-46.1	176.9	-156.5	-157.2	126	0	0	111.3	L648 E649 C654 C655 R656	L648-E652 PolarHBondContact O-N 3.16Å; E649-E652 PolarHBondContact O-N 2.96Å; E649-E652 VanDerWaalsContact O-N 3.09Å; E652-C654 VanDerWaalsContact C-N 3.33Å; E652-C654 PolarHBondContact O-N 3.29Å; E652-C655 PolarHBondContact O-N 3.49Å; E652-R656 WeakPolarHBondContact O-CB 3.42Å; E652-R656 PolarHBondContact O-N 2.91Å; E652-R656 IonicContact OE1-CZ 2.74Å; E652-R656 IonicContact OE1-NE 3.15Å; E652-R656 IonicContact OE1-NH2 3.68Å; E652-R656 PolarHBondContact OE1-NH2 3.37Å
653	I	90.9	Very high	89.5	Confident	61 Å²	61	68.3 Å²	68.3	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.6	-66.1	167.8	0	0	0	110.7	E649 R656 K657	E649-I653 HydrophobicContact CG-CD1 3.99Å; E649-I653 WeakPolarHBondContact O-CG1 3.41Å; E649-I653 PolarHBondContact O-N 3.5Å; I653-R656 PolarHBondContact O-N 3.48Å; I653-K657 HydrophobicContact CG2-CD 4.24Å; I653-K657 WeakPolarHBondContact O-CB 3.38Å; I653-K657 WeakPolarHBondContact O-CG 3.47Å; I653-K657 PolarHBondContact O-N 2.97Å
654	C	89.1	Confident	89.3	Confident	23 Å²	23	67.2 Å²	67.2	16%	0.155	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-43.4	176.6	-172.5	0	0	0	0	111.5	K650 M651 E652 R656 K657 T658 V674 I675	K650-C654 WeakPolarHBondContact O-CB 3.45Å; K650-C654 PolarHBondContact O-N 2.88Å; M651-C654 PolarHBondContact O-N 3Å; E652-C654 VanDerWaalsContact C-N 3.33Å; E652-C654 PolarHBondContact O-N 3.29Å; C654-R656 VanDerWaalsContact C-N 3.33Å; C654-R656 PolarHBondContact O-N 2.79Å; C654-K657 PolarHBondContact O-N 3.12Å; C654-T658 WeakPolarHBondContact O-CB 3.41Å; C654-T658 PolarHBondContact O-N 3.47Å; C654-T658 PolarHBondContact O-OG1 3.13Å; C654-V674 PolarHBondContact SG-O 3.09Å; C654-I675 HydrophobicContact CB-CG1 4.46Å
655	C	87.5	Confident	88.8	Confident	22 Å²	22	70.5 Å²	70.5	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-37.5	174.2	-69.1	0	0	0	0	112.7	K632 M651 E652 T658 R659	K632-C655 WeakPolarHBondContact CE-SG 3.34Å; M651-C655 WeakPolarHBondContact O-CB 3.48Å; M651-C655 PolarHBondContact O-N 2.96Å; M651-C655 PolarHBondContact O-SG 3.43Å; E652-C655 PolarHBondContact O-N 3.49Å; C655-T658 PolarHBondContact O-N 3.33Å; C655-R659 WeakPolarHBondContact O-CG 3.34Å; C655-R659 PolarHBondContact O-N 3.05Å
656	R	90	Very high	88.1	Confident	131 Å²	131	72.4 Å²	72.4	49%	0.494	36%	0.361	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.2	-156.2	-175.2	-57.7	146.6	-0.2	110.8	E652 I653 C654 R659 L660	E652-R656 WeakPolarHBondContact O-CB 3.42Å; E652-R656 PolarHBondContact O-N 2.91Å; E652-R656 IonicContact OE1-CZ 2.74Å; E652-R656 IonicContact OE1-NE 3.15Å; E652-R656 IonicContact OE1-NH2 3.68Å; E652-R656 PolarHBondContact OE1-NH2 3.37Å; I653-R656 PolarHBondContact O-N 3.48Å; C654-R656 VanDerWaalsContact C-N 3.33Å; C654-R656 PolarHBondContact O-N 2.79Å; R656-R659 PolarHBondContact O-N 3.21Å; R656-L660 WeakPolarHBondContact O-CG 3.17Å; R656-L660 PolarHBondContact O-N 3.17Å; R656-L660 VanDerWaalsContact O-N 3.13Å
657	K	87.8	Confident	87.7	Confident	147 Å²	147	73.6 Å²	73.6	64%	0.639	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-42.3	173.2	-74	177.7	175.6	-177.3	0	112.2	I653 C654 L660 F661	I653-K657 HydrophobicContact CG2-CD 4.24Å; I653-K657 WeakPolarHBondContact O-CB 3.38Å; I653-K657 WeakPolarHBondContact O-CG 3.47Å; I653-K657 PolarHBondContact O-N 2.97Å; C654-K657 PolarHBondContact O-N 3.12Å; K657-L660 PolarHBondContact O-N 3Å; K657-F661 WeakPolarHBondContact O-CB 3.05Å; K657-F661 PolarHBondContact O-N 3.09Å
658	T	85.6	Confident	87.1	Confident	16 Å²	16	75.2 Å²	75.2	10%	0.098	39%	0.389	C	S	.	.	H	α-helix	trans	-57.6	-53.6	174.7	-76.3	0	0	0	0	111.7	I629 C654 C655 L660 F661 E662 V670	I629-T658 HydrophobicContact CD1-CG2 4.26Å; C654-T658 WeakPolarHBondContact O-CB 3.41Å; C654-T658 PolarHBondContact O-N 3.47Å; C654-T658 PolarHBondContact O-OG1 3.13Å; C655-T658 PolarHBondContact O-N 3.33Å; T658-L660 VanDerWaalsContact C-N 3.31Å; T658-L660 PolarHBondContact O-N 3.28Å; T658-F661 WeakPolarHBondContact O-CB 3.25Å; T658-F661 PolarHBondContact O-N 3.02Å; T658-F661 VanDerWaalsContact O-N 3.12Å; T658-E662 HydrophobicContact CG2-CG 4.43Å; T658-E662 WeakPolarHBondContact O-CG 3.21Å; T658-E662 PolarHBondContact O-N 3.28Å; T658-V670 HydrophobicContact CG2-CB 3.7Å; T658-V670 HydrophobicContact CG2-CG1 4.2Å; T658-V670 HydrophobicContact CG2-CG2 3.67Å
659	R	86.2	Confident	86.4	Confident	182 Å²	182	77.4 Å²	77.4	69%	0.687	41%	0.407	S	S	*	.	H	α-helix	trans	-58.3	-41.6	179	-72.7	171.4	176.1	178.3	-2.8	112.6	C655 R656 E662 S663	C655-R659 WeakPolarHBondContact O-CG 3.34Å; C655-R659 PolarHBondContact O-N 3.05Å; R656-R659 PolarHBondContact O-N 3.21Å; R659-E662 PolarHBondContact O-N 3.48Å; R659-S663 WeakPolarHBondContact O-CB 3.47Å; R659-S663 PolarHBondContact O-N 3.17Å; R659-S663 PolarHBondContact O-OG 3.43Å
660	L	87.7	Confident	86	Confident	109 Å²	109	71.9 Å²	71.9	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-63.3	-44.7	175.9	-70.8	166.8	0	0	0	111.5	R656 K657 T658 S663 T664	R656-L660 WeakPolarHBondContact O-CG 3.17Å; R656-L660 PolarHBondContact O-N 3.17Å; R656-L660 VanDerWaalsContact O-N 3.13Å; K657-L660 PolarHBondContact O-N 3Å; T658-L660 VanDerWaalsContact C-N 3.31Å; T658-L660 PolarHBondContact O-N 3.28Å; L660-S663 PolarHBondContact O-N 2.86Å; L660-S663 PolarHBondContact O-OG 2.87Å; L660-T664 WeakPolarHBondContact O-CG2 3.33Å; L660-T664 PolarHBondContact O-N 3.32Å; L660-T664 PolarHBondContact O-OG1 3.29Å
661	F	84.6	Confident	85.7	Confident	28 Å²	28	74.9 Å²	74.9	12%	0.123	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-43.8	176.1	176.4	-100.1	0	0	0	112.8	T535 K657 T658 S663 T664 K665 T668 V670	T535-F661 HydrophobicContact CG2-CD2 4.07Å; T535-F661 HydrophobicContact CG2-CE2 3.96Å; T535-F661 WeakPolarHBondContact OG1-CE2 3.48Å; K657-F661 WeakPolarHBondContact O-CB 3.05Å; K657-F661 PolarHBondContact O-N 3.09Å; T658-F661 WeakPolarHBondContact O-CB 3.25Å; T658-F661 PolarHBondContact O-N 3.02Å; T658-F661 VanDerWaalsContact O-N 3.12Å; F661-S663 VanDerWaalsContact C-N 3.32Å; F661-S663 PolarHBondContact O-N 2.91Å; F661-T664 PolarHBondContact O-N 3.49Å; F661-T664 PolarHBondContact O-OG1 3Å; F661-T664 VanDerWaalsContact O-OG1 3.05Å; F661-K665 HydrophobicContact CE2-CD 3.91Å; F661-K665 HydrophobicContact CZ-CD 4.09Å; F661-K665 PolarHBondContact O-N 3.39Å; F661-K665 VanDerWaalsContact O-N 3.09Å; F661-T668 HydrophobicContact CE1-CG2 3.81Å; F661-T668 HydrophobicContact CZ-CG2 4.21Å; F661-V670 HydrophobicContact CD1-CG2 3.88Å; F661-V670 HydrophobicContact CE1-CG2 4.37Å
662	E	85.7	Confident	85.6	Confident	58 Å²	58	77.1 Å²	77.1	27%	0.271	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-36.4	176.8	-65.5	177.3	139.9	0	0	111.5	T658 R659 K665 C669 V670	T658-E662 HydrophobicContact CG2-CG 4.43Å; T658-E662 WeakPolarHBondContact O-CG 3.21Å; T658-E662 PolarHBondContact O-N 3.28Å; R659-E662 PolarHBondContact O-N 3.48Å; E662-K665 CarbonylContact O-C 3.43Å; E662-K665 PolarHBondContact O-N 3.42Å; E662-C669 WeakPolarHBondContact OE1-CA 3.39Å; E662-V670 HydrophobicContact CG-CG2 3.9Å; E662-V670 PolarHBondContact OE1-N 3.19Å
663	S	86	Confident	85.4	Confident	83 Å²	83	71.6 Å²	71.6	58%	0.58	39%	0.39	S	S	*	.	H	α-helix	trans	-69.2	-29.2	175.2	73.8	0	0	0	0	114.1	R659 L660 F661	R659-S663 WeakPolarHBondContact O-CB 3.47Å; R659-S663 PolarHBondContact O-N 3.17Å; R659-S663 PolarHBondContact O-OG 3.43Å; L660-S663 PolarHBondContact O-N 2.86Å; L660-S663 PolarHBondContact O-OG 2.87Å; F661-S663 VanDerWaalsContact C-N 3.32Å; F661-S663 PolarHBondContact O-N 2.91Å
664	T	88	Confident	85.3	Confident	102 Å²	102	72.3 Å²	72.3	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-87.4	-14.9	177.9	52.8	0	0	0	0	113.6	L660 F661	L660-T664 WeakPolarHBondContact O-CG2 3.33Å; L660-T664 PolarHBondContact O-N 3.32Å; L660-T664 PolarHBondContact O-OG1 3.29Å; F661-T664 PolarHBondContact O-N 3.49Å; F661-T664 PolarHBondContact O-OG1 3Å; F661-T664 VanDerWaalsContact O-OG1 3.05Å
665	K	82.1	Confident	85.3	Confident	78 Å²	78	71.7 Å²	71.7	34%	0.339	39%	0.392	S	S	.	.	S	Bend	trans	-132	72.6	175.1	-66	-171.5	176.9	-178.1	0	111.7	F661 E662 G667 T668	F661-K665 HydrophobicContact CE2-CD 3.91Å; F661-K665 HydrophobicContact CZ-CD 4.09Å; F661-K665 PolarHBondContact O-N 3.39Å; F661-K665 VanDerWaalsContact O-N 3.09Å; E662-K665 CarbonylContact O-C 3.43Å; E662-K665 PolarHBondContact O-N 3.42Å; K665-G667 PolarHBondContact O-N 3.04Å; K665-T668 WeakPolarHBondContact O-CB 3.48Å; K665-T668 PolarHBondContact O-N 2.95Å; K665-T668 PolarHBondContact O-OG1 3.13Å
666	P	77.4	Confident	85	Confident	112 Å²	112	75 Å²	75	73%	0.727	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	138.7	178.6	-29.2	35.9	0	0	0	113.3	T668	P666-T668 PolarHBondContact O-N 3.5Å
667	G	79.7	Confident	84.5	Confident	60 Å²	60	70.3 Å²	70.3	62%	0.619	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	4.2	-173.5	0	0	0	0	0	114.8	R454 K665	R454-G667 PolarHBondContact NH1-O 3.27Å; K665-G667 PolarHBondContact O-N 3.04Å
668	T	80.2	Confident	84	Confident	34 Å²	34	66 Å²	66	21%	0.209	38%	0.378	C	S	.	.			trans	-105.3	119.7	167.5	-50.2	0	0	0	0	109.3	F661 K665 P666	F661-T668 HydrophobicContact CE1-CG2 3.81Å; F661-T668 HydrophobicContact CZ-CG2 4.21Å; K665-T668 WeakPolarHBondContact O-CB 3.48Å; K665-T668 PolarHBondContact O-N 2.95Å; K665-T668 PolarHBondContact O-OG1 3.13Å; P666-T668 PolarHBondContact O-N 3.5Å
669	C	80	Confident	83.2	Confident	90 Å²	90	69.5 Å²	69.5	61%	0.608	41%	0.408	S	S	*	.			trans	-108.6	148.9	177	-48.5	0	0	0	0	111	E662	E662-C669 WeakPolarHBondContact OE1-CA 3.39Å
670	V	82.3	Confident	82.3	Confident	11 Å²	11	64.9 Å²	64.9	7%	0.067	40%	0.397	C	S	.	.			trans	-91.7	107.8	175.5	-177.8	0	0	0	0	109.7	I629 T658 F661 E662 N672	I629-V670 HydrophobicContact CD1-CB 4.5Å; I629-V670 VanDerWaalsContact CD1-O 3.26Å; I629-V670 WeakPolarHBondContact CD1-O 3.37Å; I629-V670 WeakPolarHBondContact CG2-O 3.45Å; T658-V670 HydrophobicContact CG2-CB 3.7Å; T658-V670 HydrophobicContact CG2-CG1 4.2Å; T658-V670 HydrophobicContact CG2-CG2 3.67Å; F661-V670 HydrophobicContact CD1-CG2 3.88Å; F661-V670 HydrophobicContact CE1-CG2 4.37Å; E662-V670 HydrophobicContact CG-CG2 3.9Å; E662-V670 PolarHBondContact OE1-N 3.19Å; V670-N672 VanDerWaalsContact CG1-O 3.24Å; V670-N672 WeakPolarHBondContact CG1-O 3.5Å
671	T	87	Confident	81.7	Confident	103 Å²	103	59.7 Å²	59.7	63%	0.632	37%	0.371	S	S	*	.			trans	-80.7	-30.3	-176.3	48	0	0	0	0	114.2	I629	I629-T671 WeakPolarHBondContact CG2-O 3.35Å; I629-T671 PolarHBondContact N-O 3.45Å
672	N	88.3	Confident	81.4	Confident	52 Å²	52	60.9 Å²	60.9	28%	0.278	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.2	179.5	-66.1	-3.2	0	0	0	110.4	E626 L627 V670	E626-N672 HydrophobicContact CG-CB 4.43Å; E626-N672 PolarHBondContact OE1-ND2 3.11Å; L627-N672 CarbonylContact O-C 3.58Å; L627-N672 WeakPolarHBondContact O-CA 3.4Å; V670-N672 VanDerWaalsContact CG1-O 3.24Å; V670-N672 WeakPolarHBondContact CG1-O 3.5Å
673	I	87.7	Confident	81.2	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.2	161.1	-67.7	175	0	0	0	107.3	L625 E626 L627 I629 K632 M651 I675	L625-I673 HydrophobicContact CD2-CG2 4.43Å; E626-I673 WeakPolarHBondContact CA-O 3.24Å; L627-I673 PolarHBondContact N-O 3.47Å; L627-I673 PolarHBondContact O-N 3.09Å; I629-I673 HydrophobicContact CB-CG1 4.46Å; I629-I673 HydrophobicContact CG1-CD1 4.26Å; I629-I673 HydrophobicContact CG1-CG1 4.12Å; K632-I673 HydrophobicContact CB-CD1 3.63Å; K632-I673 HydrophobicContact CD-CD1 4.01Å; K632-I673 HydrophobicContact CG-CD1 3.64Å; M651-I673 HydrophobicContact CE-CD1 4.44Å; I673-I675 HydrophobicContact CG2-CG1 4.36Å
674	V	88.9	Confident	81.2	Confident	75 Å²	75	57.1 Å²	57.1	46%	0.455	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.8	171.1	-179.5	0	0	0	0	108	L625 E626 C654 E676	L625-V674 CarbonylContact O-C 3.56Å; L625-V674 WeakPolarHBondContact O-CA 3.3Å; E626-V674 HydrophobicContact CG-CG2 4.3Å; C654-V674 PolarHBondContact SG-O 3.09Å; V674-E676 HydrophobicContact CG1-CG 4.1Å
675	I	88.3	Confident	81	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.4	167.7	-63.4	172.6	0	0	0	105.8	Y619 S624 L625 L647 K650 M651 C654 I673	Y619-I675 HydrophobicContact CE2-CG2 4.39Å; S624-I675 CarbonylContact C-O 3.56Å; S624-I675 VanDerWaalsContact CA-O 3.27Å; S624-I675 WeakPolarHBondContact CA-O 3.43Å; L625-I675 HydrophobicContact CB-CB 4.29Å; L625-I675 PolarHBondContact N-O 2.97Å; L625-I675 PolarHBondContact O-N 3.32Å; L647-I675 HydrophobicContact CD1-CD1 3.6Å; K650-I675 HydrophobicContact CB-CD1 4.06Å; K650-I675 HydrophobicContact CB-CG2 4.21Å; K650-I675 HydrophobicContact CD-CG2 4.01Å; M651-I675 HydrophobicContact CG-CD1 3.71Å; C654-I675 HydrophobicContact CB-CG1 4.46Å; I673-I675 HydrophobicContact CG2-CG1 4.36Å
676	E	82.1	Confident	81.2	Confident	91 Å²	91	56.1 Å²	56.1	43%	0.425	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-93.1	152.1	170.5	-63.3	-166.6	126.4	0	0	109.4	R543 V674	R543-E676 IonicContact NH2-OE1 3.96Å; R543-E676 PolarHBondContact NH2-OE1 2.78Å; V674-E676 HydrophobicContact CG1-CG 4.1Å
677	P	78.3	Confident	81.6	Confident	32 Å²	32	51.2 Å²	51.2	21%	0.208	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.9	162.5	170.8	28.3	-34.8	0	0	0	110.6	M546	M546-P677 HydrophobicContact CE-CB 4Å; M546-P677 HydrophobicContact CE-CG 3.4Å; M546-P677 HydrophobicContact SD-CG 3.88Å
678	T	77	Confident	82.1	Confident	56 Å²	56	48.7 Å²	48.7	34%	0.344	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-63.4	149.7	169.7	54.9	0	0	0	0	110.1	D680 C681	T678-D680 WeakPolarHBondContact CB-OD1 3.23Å; T678-D680 PolarHBondContact O-N 3.33Å; T678-D680 PolarHBondContact OG1-OD1 3.2Å; T678-C681 WeakPolarHBondContact O-CA 3.08Å; T678-C681 PolarHBondContact O-N 2.76Å
679	A	68.8	Low	82.4	Confident	90 Å²	90	49.2 Å²	49.2	74%	0.744	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-34.5	-174.8	0	0	0	0	0	113.1	C681	A679-C681 VanDerWaalsContact C-N 3.33Å
680	D	68.6	Low	82.8	Confident	85 Å²	85	48.5 Å²	48.5	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.3	174.7	67.1	-16.4	0	0	0	114	T678 S682 K685	T678-D680 WeakPolarHBondContact CB-OD1 3.23Å; T678-D680 PolarHBondContact O-N 3.33Å; T678-D680 PolarHBondContact OG1-OD1 3.2Å; D680-S682 VanDerWaalsContact C-N 3.27Å; D680-S682 PolarHBondContact O-N 3.1Å; D680-S682 PolarHBondContact OD1-N 3.41Å; D680-S682 VanDerWaalsContact OD1-N 3.13Å; D680-S682 PolarHBondContact OD1-OG 2.75Å; D680-S682 VanDerWaalsContact OD1-OG 3.06Å; D680-S682 WeakPolarHBondContact OD2-CB 3.35Å; D680-S682 PolarHBondContact OD2-OG 3.28Å; D680-K685 WeakPolarHBondContact O-CD 3.39Å; D680-K685 VanDerWaalsContact O-CE 3.26Å; D680-K685 WeakPolarHBondContact O-CE 3.28Å; D680-K685 PolarHBondContact O-NZ 2.93Å
681	C	74.3	Confident	83.2	Confident	1 Å²	1	48 Å²	48	1%	0.007	28%	0.275	C	S	.	.			trans	61.8	21.1	-172.2	-43.8	0	0	0	0	115.3	M546 T678 A679 E683 L684 K685	M546-C681 HydrophobicContact CE-CB 4.35Å; M546-C681 WeakPolarHBondContact CE-SG 3.44Å; T678-C681 WeakPolarHBondContact O-CA 3.08Å; T678-C681 PolarHBondContact O-N 2.76Å; A679-C681 VanDerWaalsContact C-N 3.33Å; C681-E683 PolarHBondContact O-N 3.38Å; C681-L684 PolarHBondContact O-N 3.14Å; C681-K685 HydrophobicContact CB-CD 4.33Å; C681-K685 HydrophobicContact CB-CG 4.22Å; C681-K685 PolarHBondContact O-N 3.07Å
682	S	78.8	Confident	83.3	Confident	52 Å²	52	43.2 Å²	43.2	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-49.7	-52.7	-166.6	35.6	0	0	0	0	114.7	D680 L684 K685 E686	D680-S682 VanDerWaalsContact C-N 3.27Å; D680-S682 PolarHBondContact O-N 3.1Å; D680-S682 PolarHBondContact OD1-N 3.41Å; D680-S682 VanDerWaalsContact OD1-N 3.13Å; D680-S682 PolarHBondContact OD1-OG 2.75Å; D680-S682 VanDerWaalsContact OD1-OG 3.06Å; D680-S682 WeakPolarHBondContact OD2-CB 3.35Å; D680-S682 PolarHBondContact OD2-OG 3.28Å; S682-L684 PolarHBondContact O-N 3.37Å; S682-L684 VanDerWaalsContact O-N 3.12Å; S682-K685 PolarHBondContact O-N 3.5Å; S682-E686 WeakPolarHBondContact O-CB 3.39Å; S682-E686 PolarHBondContact O-N 3.12Å
683	E	82.3	Confident	83.3	Confident	50 Å²	50	47.1 Å²	47.1	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-52.1	-37.6	178.5	-84.8	179.5	-122.7	0	0	113.8	R583 S646 K650 C681 S687	R583-E683 PolarHBondContact NH1-O 3.04Å; R583-E683 IonicContact NH2-OE2 2.66Å; S646-E683 PolarHBondContact OG-OE2 3.45Å; K650-E683 WeakPolarHBondContact CE-OE1 3.36Å; K650-E683 IonicContact NZ-OE1 3.21Å; K650-E683 PolarHBondContact NZ-OE1 3.32Å; K650-E683 IonicContact NZ-OE2 3.59Å; K650-E683 PolarHBondContact NZ-OE2 2.75Å; C681-E683 PolarHBondContact O-N 3.38Å; E683-S687 WeakPolarHBondContact O-CB 3.26Å; E683-S687 PolarHBondContact O-N 3.46Å; E683-S687 PolarHBondContact O-OG 2.86Å
684	L	85.1	Confident	83.3	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-79.2	-48.8	179.6	-65.5	169.4	0	0	0	110.6	T622 C681 S682 E686 S687 F688	T622-L684 WeakPolarHBondContact O-CD1 3.46Å; C681-L684 PolarHBondContact O-N 3.14Å; S682-L684 PolarHBondContact O-N 3.37Å; S682-L684 VanDerWaalsContact O-N 3.12Å; L684-E686 VanDerWaalsContact C-N 3.35Å; L684-E686 PolarHBondContact O-N 2.9Å; L684-S687 WeakPolarHBondContact O-CB 3.22Å; L684-S687 PolarHBondContact O-N 2.9Å; L684-S687 VanDerWaalsContact O-N 3.15Å; L684-F688 HydrophobicContact CB-CD2 4.36Å; L684-F688 HydrophobicContact CB-CE2 4.2Å; L684-F688 HydrophobicContact CD2-CE2 4.32Å; L684-F688 WeakPolarHBondContact O-CD2 3.32Å; L684-F688 PolarHBondContact O-N 3.3Å
685	K	83.4	Confident	83.4	Confident	41 Å²	41	46.7 Å²	46.7	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-51.2	179	-76.1	179.9	177.8	167.1	0	110.4	P547 D680 C681 S682 S687 F688 C689	P547-K685 HydrophobicContact CG-CG 4.36Å; D680-K685 WeakPolarHBondContact O-CD 3.39Å; D680-K685 VanDerWaalsContact O-CE 3.26Å; D680-K685 WeakPolarHBondContact O-CE 3.28Å; D680-K685 PolarHBondContact O-NZ 2.93Å; C681-K685 HydrophobicContact CB-CD 4.33Å; C681-K685 HydrophobicContact CB-CG 4.22Å; C681-K685 PolarHBondContact O-N 3.07Å; S682-K685 PolarHBondContact O-N 3.5Å; K685-S687 VanDerWaalsContact C-N 3.31Å; K685-S687 PolarHBondContact O-N 2.73Å; K685-F688 PolarHBondContact O-N 3.37Å; K685-F688 VanDerWaalsContact O-N 3.16Å; K685-C689 WeakPolarHBondContact O-CB 3.27Å; K685-C689 PolarHBondContact O-N 3.48Å; K685-C689 PolarHBondContact O-SG 3.45Å
686	E	86	Confident	83.4	Confident	118 Å²	118	48 Å²	48	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-55	-46.4	177	-164	-156.4	149.5	0	0	111.7	S682 L684 F688 C689 Q690	S682-E686 WeakPolarHBondContact O-CB 3.39Å; S682-E686 PolarHBondContact O-N 3.12Å; L684-E686 VanDerWaalsContact C-N 3.35Å; L684-E686 PolarHBondContact O-N 2.9Å; E686-F688 PolarHBondContact O-N 3.4Å; E686-C689 PolarHBondContact O-N 3.35Å; E686-Q690 VanDerWaalsContact O-CG 3.31Å; E686-Q690 WeakPolarHBondContact O-CG 3.23Å; E686-Q690 PolarHBondContact O-N 2.73Å; E686-Q690 PolarHBondContact OE1-NE2 3.36Å
687	S	87.4	Confident	83.6	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-38.2	179.8	-58.6	0	0	0	0	113.1	R583 E683 L684 K685 L691	R583-S687 VanDerWaalsContact CD-OG 3.25Å; R583-S687 WeakPolarHBondContact CD-OG 3.21Å; R583-S687 PolarHBondContact NH1-OG 2.93Å; E683-S687 WeakPolarHBondContact O-CB 3.26Å; E683-S687 PolarHBondContact O-N 3.46Å; E683-S687 PolarHBondContact O-OG 2.86Å; L684-S687 WeakPolarHBondContact O-CB 3.22Å; L684-S687 PolarHBondContact O-N 2.9Å; L684-S687 VanDerWaalsContact O-N 3.15Å; K685-S687 VanDerWaalsContact C-N 3.31Å; K685-S687 PolarHBondContact O-N 2.73Å; S687-L691 PolarHBondContact O-N 2.76Å
688	F	88.9	Confident	83.6	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-81.3	-30.6	177	-63.3	-57.4	0	0	0	112.4	I551 V579 L684 K685 E686 Q690 L691 A692 F729 Y776 C777	I551-F688 HydrophobicContact CG1-CE2 4.28Å; I551-F688 HydrophobicContact CG1-CZ 4.41Å; I551-F688 HydrophobicContact CG2-CE2 4.32Å; I551-F688 HydrophobicContact CG2-CZ 3.88Å; V579-F688 HydrophobicContact CG1-CE1 4.24Å; V579-F688 HydrophobicContact CG1-CZ 4.41Å; V579-F688 HydrophobicContact CG2-CE1 4.36Å; L684-F688 HydrophobicContact CB-CD2 4.36Å; L684-F688 HydrophobicContact CB-CE2 4.2Å; L684-F688 HydrophobicContact CD2-CE2 4.32Å; L684-F688 WeakPolarHBondContact O-CD2 3.32Å; L684-F688 PolarHBondContact O-N 3.3Å; K685-F688 PolarHBondContact O-N 3.37Å; K685-F688 VanDerWaalsContact O-N 3.16Å; E686-F688 PolarHBondContact O-N 3.4Å; F688-Q690 VanDerWaalsContact C-N 3.32Å; F688-Q690 PolarHBondContact O-N 2.74Å; F688-L691 HydrophobicContact CD1-CD1 4.06Å; F688-L691 PolarHBondContact O-N 3.3Å; F688-A692 PolarHBondContact O-N 3.18Å; F688-F729 AromaticContact CD1-CE1 3.72Å; F688-F729 HydrophobicContact CD1-CE1 3.72Å; F688-F729 AromaticContact CD1-CZ 3.78Å; F688-F729 HydrophobicContact CD1-CZ 3.78Å; F688-F729 AromaticContact CE1-CE1 3.98Å; F688-F729 HydrophobicContact CE1-CE1 3.98Å; F688-F729 AromaticContact CE1-CZ 3.81Å; F688-F729 HydrophobicContact CE1-CZ 3.81Å; F688-F729 HydrophobicContact CG-CE1 4.48Å; F688-Y776 WeakPolarHBondContact CB-O 3.43Å; F688-C777 HydrophobicContact CB-CB 4.46Å
689	C	87.8	Confident	83	Confident	46 Å²	46	51.5 Å²	51.5	31%	0.311	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-38.1	168	-69.9	0	0	0	0	111.5	K685 E686 L691 A692 F693 C777	K685-C689 WeakPolarHBondContact O-CB 3.27Å; K685-C689 PolarHBondContact O-N 3.48Å; K685-C689 PolarHBondContact O-SG 3.45Å; E686-C689 PolarHBondContact O-N 3.35Å; C689-L691 VanDerWaalsContact C-N 3.34Å; C689-L691 PolarHBondContact O-N 3.14Å; C689-A692 WeakPolarHBondContact O-CB 3.43Å; C689-A692 PolarHBondContact O-N 2.82Å; C689-F693 WeakPolarHBondContact O-CB 3.41Å; C689-F693 PolarHBondContact O-N 3.02Å; C689-C777 WeakPolarHBondContact SG-CB 3.48Å
690	Q	87.4	Confident	82.5	Confident	74 Å²	74	56.1 Å²	56.1	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-39	173.4	-72.8	175.2	24	0	0	111.7	E686 F688 Q694	E686-Q690 VanDerWaalsContact O-CG 3.31Å; E686-Q690 WeakPolarHBondContact O-CG 3.23Å; E686-Q690 PolarHBondContact O-N 2.73Å; E686-Q690 PolarHBondContact OE1-NE2 3.36Å; F688-Q690 VanDerWaalsContact C-N 3.32Å; F688-Q690 PolarHBondContact O-N 2.74Å; Q690-Q694 WeakPolarHBondContact O-CB 3.47Å; Q690-Q694 VanDerWaalsContact O-CG 3.24Å; Q690-Q694 WeakPolarHBondContact O-CG 3.33Å; Q690-Q694 PolarHBondContact O-N 3.11Å
691	L	90	Very high	81.8	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-40.6	172.8	-73.3	170.8	0	0	0	112.3	C578 A582 S687 F688 C689 Q694 A695 F729 Y776	C578-L691 HydrophobicContact CB-CD2 4.08Å; A582-L691 HydrophobicContact CB-CD1 3.89Å; A582-L691 HydrophobicContact CB-CD2 4.35Å; A582-L691 HydrophobicContact CB-CG 4.01Å; S687-L691 PolarHBondContact O-N 2.76Å; F688-L691 HydrophobicContact CD1-CD1 4.06Å; F688-L691 PolarHBondContact O-N 3.3Å; C689-L691 VanDerWaalsContact C-N 3.34Å; C689-L691 PolarHBondContact O-N 3.14Å; L691-Q694 PolarHBondContact O-N 3.13Å; L691-A695 WeakPolarHBondContact O-CB 3.26Å; L691-A695 PolarHBondContact O-N 3.39Å; L691-F729 HydrophobicContact CD1-CZ 4.37Å; L691-Y776 HydrophobicContact CB-CD1 4.11Å; L691-Y776 HydrophobicContact CB-CE1 4.25Å
692	A	90.6	Very high	80.5	Confident	2 Å²	2	67.9 Å²	67.9	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-46.6	173.6	0	0	0	0	0	111.6	F688 C689 A695 M696 I772 Y776	F688-A692 PolarHBondContact O-N 3.18Å; C689-A692 WeakPolarHBondContact O-CB 3.43Å; C689-A692 PolarHBondContact O-N 2.82Å; A692-A695 PolarHBondContact O-N 3.43Å; A692-M696 HydrophobicContact CB-CE 4.25Å; A692-M696 WeakPolarHBondContact O-CE 3.23Å; A692-M696 WeakPolarHBondContact O-CG 3.47Å; A692-M696 PolarHBondContact O-N 3.1Å; A692-M696 VanDerWaalsContact O-N 3.14Å; A692-I772 HydrophobicContact CB-CG2 4.28Å; A692-Y776 HydrophobicContact CB-CD2 3.79Å; A692-Y776 HydrophobicContact CB-CG 4.02Å
693	F	88.5	Confident	79.4	Confident	134 Å²	134	68.8 Å²	68.8	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-60.4	-48.6	176.7	-177.2	-100.6	0	0	0	111.1	C689 A695 M696 R697	C689-F693 WeakPolarHBondContact O-CB 3.41Å; C689-F693 PolarHBondContact O-N 3.02Å; F693-A695 VanDerWaalsContact C-N 3.3Å; F693-A695 PolarHBondContact O-N 3.11Å; F693-M696 PolarHBondContact O-N 3.14Å; F693-R697 HydrophobicContact CD1-CG 4.16Å; F693-R697 HydrophobicContact CE1-CG 3.94Å; F693-R697 HydrophobicContact CZ-CG 4.42Å; F693-R697 WeakPolarHBondContact O-CG 3.46Å; F693-R697 PolarHBondContact O-N 3.14Å; F693-R697 VanDerWaalsContact O-N 3.13Å
694	Q	87.9	Confident	77.8	Confident	67 Å²	67	74 Å²	74	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-55.6	-43.4	175.3	-74.8	170.1	25.8	0	0	112.2	Q690 L691 M696 R697	Q690-Q694 WeakPolarHBondContact O-CB 3.47Å; Q690-Q694 VanDerWaalsContact O-CG 3.24Å; Q690-Q694 WeakPolarHBondContact O-CG 3.33Å; Q690-Q694 PolarHBondContact O-N 3.11Å; L691-Q694 PolarHBondContact O-N 3.13Å; Q694-M696 PolarHBondContact O-N 3.14Å; Q694-R697 PolarHBondContact O-N 3.27Å
695	A	89.7	Confident	76.2	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-26.4	177.8	0	0	0	0	0	113.8	L691 A692 F693 F723 R724 I772 Y776	L691-A695 WeakPolarHBondContact O-CB 3.26Å; L691-A695 PolarHBondContact O-N 3.39Å; A692-A695 PolarHBondContact O-N 3.43Å; F693-A695 VanDerWaalsContact C-N 3.3Å; F693-A695 PolarHBondContact O-N 3.11Å; A695-F723 WeakPolarHBondContact O-CA 3.37Å; A695-R724 WeakPolarHBondContact CA-O 3.23Å; A695-R724 WeakPolarHBondContact CB-O 3.49Å; A695-R724 PolarHBondContact O-N 3.28Å; A695-R724 VanDerWaalsContact O-N 3.08Å; A695-I772 HydrophobicContact CB-CG2 4.37Å; A695-Y776 HydrophobicContact CB-CE2 4.2Å
696	M	89.2	Confident	74.7	Confident	38 Å²	38	75.8 Å²	75.8	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-88.4	-14.2	177.2	-67.8	-175.6	-78.6	0	0	114.5	A692 F693 Q694 Q698 F723 K769 I772	A692-M696 HydrophobicContact CB-CE 4.25Å; A692-M696 WeakPolarHBondContact O-CE 3.23Å; A692-M696 WeakPolarHBondContact O-CG 3.47Å; A692-M696 PolarHBondContact O-N 3.1Å; A692-M696 VanDerWaalsContact O-N 3.14Å; F693-M696 PolarHBondContact O-N 3.14Å; Q694-M696 PolarHBondContact O-N 3.14Å; M696-Q698 PolarHBondContact O-N 3.13Å; M696-Q698 VanDerWaalsContact O-N 3.09Å; M696-Q698 PolarHBondContact O-NE2 2.72Å; M696-Q698 VanDerWaalsContact O-NE2 3.14Å; M696-F723 HydrophobicContact CG-CD1 4.23Å; M696-F723 HydrophobicContact CG-CE1 4.34Å; M696-K769 HydrophobicContact CG-CG 4.35Å; M696-K769 HydrophobicContact SD-CB 3.6Å; M696-K769 HydrophobicContact SD-CD 4.47Å; M696-K769 HydrophobicContact SD-CG 3.67Å; M696-I772 HydrophobicContact CE-CG2 4.29Å; M696-I772 HydrophobicContact CG-CB 4.3Å; M696-I772 HydrophobicContact CG-CD1 3.77Å; M696-I772 HydrophobicContact CG-CG2 3.84Å; M696-I772 HydrophobicContact SD-CB 4.33Å; M696-I772 HydrophobicContact SD-CG2 4.15Å
697	R	85.4	Confident	73	Confident	130 Å²	130	74.9 Å²	74.9	49%	0.491	37%	0.369	S	S	.	.			trans	-65.7	111.2	-178.5	-67.9	-173.8	80.9	-168.4	1.1	111.3	F693 Q694 T699	F693-R697 HydrophobicContact CD1-CG 4.16Å; F693-R697 HydrophobicContact CE1-CG 3.94Å; F693-R697 HydrophobicContact CZ-CG 4.42Å; F693-R697 WeakPolarHBondContact O-CG 3.46Å; F693-R697 PolarHBondContact O-N 3.14Å; F693-R697 VanDerWaalsContact O-N 3.13Å; Q694-R697 PolarHBondContact O-N 3.27Å; R697-T699 PolarHBondContact O-N 3.12Å
698	Q	79.3	Confident	71.4	Confident	91 Å²	91	78.3 Å²	78.3	43%	0.425	39%	0.386	S	S	.	.			trans	-73	109	168	-58.1	-49.3	-66.9	0	0	109.2	M696 R722	M696-Q698 PolarHBondContact O-N 3.13Å; M696-Q698 VanDerWaalsContact O-N 3.09Å; M696-Q698 PolarHBondContact O-NE2 2.72Å; M696-Q698 VanDerWaalsContact O-NE2 3.14Å; Q698-R722 PolarHBondContact NE2-O 2.99Å; Q698-R722 PolarHBondContact OE1-O 3.05Å
699	T	63.4	Low	70.1	Confident	31 Å²	31	80.2 Å²	80.2	19%	0.19	40%	0.398	C	S	.	.			trans	-82.9	142.5	174.3	55.8	0	0	0	0	110.3	R697 V706 R724	R697-T699 PolarHBondContact O-N 3.12Å; T699-V706 HydrophobicContact CG2-CB 3.82Å; T699-V706 HydrophobicContact CG2-CG1 3.56Å; T699-V706 HydrophobicContact CG2-CG2 4.19Å; T699-R724 PolarHBondContact OG1-NH1 2.88Å; T699-R724 PolarHBondContact OG1-NH2 2.88Å
700	K	59.8	Low	69.5	Low	187 Å²	187	78.2 Å²	78.2	81%	0.813	39%	0.385	S	S	*	.			trans	-72.6	151.1	157.9	-63.2	-178	-179	-179.4	0	108.5	N702 D703	K700-N702 PolarHBondContact O-N 3.4Å; K700-D703 PolarHBondContact O-N 3.35Å
701	E	53.3	Low	69.4	Low	178 Å²	178	76.9 Å²	76.9	83%	0.832	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.2	-163.1	-62.5	-179.4	125.9	0	0	116.1
702	N	47.5	Very low	69.4	Low	155 Å²	155	79.1 Å²	79.1	83%	0.829	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	9.8	-178.8	-63.3	-6.3	0	0	0	114	K700 E704	K700-N702 PolarHBondContact O-N 3.4Å; N702-E704 VanDerWaalsContact C-N 3.35Å; N702-E704 PolarHBondContact O-N 3.5Å; N702-E704 VanDerWaalsContact O-N 3.17Å
703	D	54.4	Low	69.2	Low	72 Å²	72	81.3 Å²	81.3	39%	0.385	40%	0.398	S	S	.	.			trans	-90.4	62.9	-175.3	-154.9	-7.2	0	0	0	111.9	K700 A705 V706	K700-D703 PolarHBondContact O-N 3.35Å; D703-A705 PolarHBondContact O-N 2.57Å; D703-V706 HydrophobicContact CB-CG2 4.26Å; D703-V706 PolarHBondContact O-N 2.89Å; D703-V706 WeakPolarHBondContact OD2-CG2 3.37Å
704	E	48.7	Very low	69.3	Low	159 Å²	159	75 Å²	75	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-51.1	-30.8	-177.8	-65.8	-172.3	164.9	0	0	113.1	N702 V706 L708	N702-E704 VanDerWaalsContact C-N 3.35Å; N702-E704 PolarHBondContact O-N 3.5Å; N702-E704 VanDerWaalsContact O-N 3.17Å; E704-V706 PolarHBondContact O-N 3.21Å; E704-L708 WeakPolarHBondContact O-CG 3.38Å
705	A	51.1	Low	69.4	Low	70 Å²	70	73 Å²	73	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-62.3	-26.6	178.4	0	0	0	0	0	113	D703 T709	D703-A705 PolarHBondContact O-N 2.57Å; A705-T709 VanDerWaalsContact O-CG2 3.26Å; A705-T709 WeakPolarHBondContact O-CG2 3.29Å
706	V	52.7	Low	69.5	Low	21 Å²	21	73 Å²	73	13%	0.127	36%	0.361	C	S	.	.	H	α-helix	trans	-83.4	-42.6	-178.7	-178.7	0	0	0	0	111.6	T699 D703 E704 L708 T709	T699-V706 HydrophobicContact CG2-CB 3.82Å; T699-V706 HydrophobicContact CG2-CG1 3.56Å; T699-V706 HydrophobicContact CG2-CG2 4.19Å; D703-V706 HydrophobicContact CB-CG2 4.26Å; D703-V706 PolarHBondContact O-N 2.89Å; D703-V706 WeakPolarHBondContact OD2-CG2 3.37Å; E704-V706 PolarHBondContact O-N 3.21Å; V706-L708 PolarHBondContact O-N 3.37Å; V706-L708 VanDerWaalsContact O-N 3.11Å; V706-T709 PolarHBondContact O-N 3.32Å; V706-T709 VanDerWaalsContact O-N 3.08Å; V706-T709 PolarHBondContact O-OG1 3.41Å
707	E	51	Low	69.5	Low	98 Å²	98	72.2 Å²	72.2	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-57.2	-32.1	-177.8	-58.2	-149.7	129.6	0	0	112.7	T709 R724	E707-T709 VanDerWaalsContact C-N 3.31Å; E707-T709 PolarHBondContact O-N 3.02Å; E707-R724 IonicContact OE1-NH2 2.72Å; E707-R724 PolarHBondContact OE1-NH2 2.62Å; E707-R724 VanDerWaalsContact OE1-NH2 3.15Å
708	L	52.9	Low	69.7	Low	83 Å²	83	66.8 Å²	66.8	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.4	-176.9	-59.4	-176.2	0	0	0	114.9	Y592 R596 E704 V706	Y592-L708 VanDerWaalsContact CE1-O 3.28Å; Y592-L708 WeakPolarHBondContact CE1-O 3.44Å; R596-L708 VanDerWaalsContact NH2-CD1 3.33Å; E704-L708 WeakPolarHBondContact O-CG 3.38Å; V706-L708 PolarHBondContact O-N 3.37Å; V706-L708 VanDerWaalsContact O-N 3.11Å
709	T	62.1	Low	69.7	Low	45 Å²	45	69.6 Å²	69.6	28%	0.276	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-37.5	-168	57.9	0	0	0	0	116.2	Y592 A705 V706 E707 F711	Y592-T709 HydrophobicContact CE1-CG2 4.45Å; Y592-T709 HydrophobicContact CE2-CG2 4.28Å; Y592-T709 WeakPolarHBondContact OH-CA 3.24Å; Y592-T709 WeakPolarHBondContact OH-CB 3.49Å; Y592-T709 PolarHBondContact OH-O 3.22Å; A705-T709 VanDerWaalsContact O-CG2 3.26Å; A705-T709 WeakPolarHBondContact O-CG2 3.29Å; V706-T709 PolarHBondContact O-N 3.32Å; V706-T709 VanDerWaalsContact O-N 3.08Å; V706-T709 PolarHBondContact O-OG1 3.41Å; E707-T709 VanDerWaalsContact C-N 3.31Å; E707-T709 PolarHBondContact O-N 3.02Å; T709-F711 WeakPolarHBondContact O-CD2 3.35Å
710	S	74.1	Confident	70.4	Confident	4 Å²	4	72.8 Å²	72.8	3%	0.028	38%	0.38	C	S	.	.	S	Bend	trans	-81.2	-31.1	-170.6	33.6	0	0	0	0	114.6	C578 Y712 H726	C578-S710 WeakPolarHBondContact CB-O 3.43Å; S710-Y712 WeakPolarHBondContact OG-CD1 3.42Å; S710-H726 PolarHBondContact O-NE2 3.31Å
711	F	86.7	Confident	71.8	Confident	47 Å²	47	64.6 Å²	64.6	21%	0.206	35%	0.346	C	S	.	.			trans	63.6	39.3	-168.9	-52.9	-85.5	0	0	0	114.1	R577 C578 T581 F591 Y592 T709 H726	R577-F711 HydrophobicContact CB-CB 4.15Å; R577-F711 HydrophobicContact CB-CD1 3.94Å; R577-F711 HydrophobicContact CB-CD2 3.87Å; R577-F711 HydrophobicContact CB-CE1 4.31Å; R577-F711 HydrophobicContact CB-CE2 4.26Å; R577-F711 HydrophobicContact CB-CG 3.71Å; R577-F711 HydrophobicContact CB-CZ 4.46Å; R577-F711 VanDerWaalsContact CD-CD1 3.44Å; R577-F711 HydrophobicContact CG-CD1 4.34Å; C578-F711 HydrophobicContact CB-CB 4.48Å; T581-F711 HydrophobicContact CG2-CD2 4.37Å; T581-F711 HydrophobicContact CG2-CE2 3.66Å; T581-F711 HydrophobicContact CG2-CZ 4.39Å; F591-F711 HydrophobicContact CB-CE1 4.44Å; F591-F711 HydrophobicContact CB-CE2 4.45Å; F591-F711 HydrophobicContact CB-CZ 3.75Å; Y592-F711 HydrophobicContact CD1-CE2 4.26Å; Y592-F711 AromaticContact CD1-CZ 3.86Å; Y592-F711 HydrophobicContact CD1-CZ 3.86Å; Y592-F711 AromaticContact CE1-CE2 3.51Å; Y592-F711 HydrophobicContact CE1-CE2 3.51Å; Y592-F711 AromaticContact CE1-CZ 3.57Å; Y592-F711 HydrophobicContact CE1-CZ 3.57Å; T709-F711 WeakPolarHBondContact O-CD2 3.35Å; F711-H726 PolarHBondContact O-CD2 3.1Å; F711-H726 PolarHBondContact O-NE2 3.2Å
712	Y	88.8	Confident	73.6	Confident	48 Å²	48	62 Å²	62	19%	0.188	33%	0.328	C	S	.	.			trans	-66.7	145.8	174	67.2	-85.5	0	0	0	112.3	S710 I715 R724 C725 C755	S710-Y712 WeakPolarHBondContact OG-CD1 3.42Å; Y712-I715 HydrophobicContact CD2-CG1 4.09Å; Y712-I715 HydrophobicContact CE2-CD1 3.92Å; Y712-I715 HydrophobicContact CE2-CG1 3.88Å; Y712-R724 HydrophobicContact CD1-CB 4Å; Y712-R724 HydrophobicContact CD1-CG 4.26Å; Y712-R724 HydrophobicContact CD2-CB 4.06Å; Y712-R724 HydrophobicContact CD2-CG 4.09Å; Y712-R724 HydrophobicContact CE1-CB 4.46Å; Y712-R724 HydrophobicContact CE1-CG 4.23Å; Y712-R724 HydrophobicContact CE2-CG 4.08Å; Y712-R724 HydrophobicContact CG-CB 3.77Å; Y712-R724 HydrophobicContact CG-CG 4.18Å; Y712-C725 WeakPolarHBondContact CA-O 3.47Å; Y712-C725 WeakPolarHBondContact CB-O 3.44Å; Y712-C755 HydrophobicContact CD2-CB 4.46Å; Y712-C755 HydrophobicContact CE2-CB 4.15Å
713	D	88	Confident	75.7	Confident	49 Å²	49	54.7 Å²	54.7	26%	0.262	29%	0.289	S	S	.	.			trans	-130.8	2.4	-179.2	66.5	-14.8	0	0	0	112.9	C725 H726 Q727	D713-C725 PolarHBondContact N-O 2.61Å; D713-C725 VanDerWaalsContact N-O 3.12Å; D713-H726 WeakPolarHBondContact OD1-CA 3.13Å; D713-Q727 PolarHBondContact O-NE2 3.42Å; D713-Q727 WeakPolarHBondContact OD1-CG 3.38Å; D713-Q727 PolarHBondContact OD1-N 3.29Å; D713-Q727 WeakPolarHBondContact OD2-CB 3.31Å
714	V	89.7	Confident	77.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.9	164.6	54.5	0	0	0	0	111.4	F716 C725 Q727 L741 C755 D756 I758	V714-F716 HydrophobicContact CG1-CE2 3.95Å; V714-F716 HydrophobicContact CG1-CZ 4.13Å; V714-F716 HydrophobicContact CG2-CD1 4.15Å; V714-F716 HydrophobicContact CG2-CD2 4.4Å; V714-F716 HydrophobicContact CG2-CE1 3.8Å; V714-F716 HydrophobicContact CG2-CE2 4.07Å; V714-F716 HydrophobicContact CG2-CG 4.46Å; V714-F716 HydrophobicContact CG2-CZ 3.76Å; V714-C725 HydrophobicContact CG1-CB 3.84Å; V714-C725 WeakPolarHBondContact CG1-O 3.45Å; V714-C725 PolarHBondContact N-O 3.1Å; V714-C725 VanDerWaalsContact N-O 3.14Å; V714-C725 PolarHBondContact O-N 3.3Å; V714-C725 VanDerWaalsContact O-O 3.14Å; V714-Q727 HydrophobicContact CB-CG 3.77Å; V714-Q727 HydrophobicContact CG1-CG 3.69Å; V714-L741 HydrophobicContact CB-CD2 4.36Å; V714-L741 HydrophobicContact CG2-CD2 4.03Å; V714-C755 WeakPolarHBondContact CA-SG 3.43Å; V714-C755 PolarHBondContact N-SG 3.5Å; V714-D756 CarbonylContact C-O 3.59Å; V714-D756 WeakPolarHBondContact CA-O 3.47Å; V714-I758 HydrophobicContact CG2-CD1 4.14Å
715	I	90.3	Very high	79.5	Confident	26 Å²	26	45 Å²	45	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.8	165.1	-66.8	168.7	0	0	0	108.1	Y712 E717 R722 F723 R724 C755 D756 S757 I758	Y712-I715 HydrophobicContact CD2-CG1 4.09Å; Y712-I715 HydrophobicContact CE2-CD1 3.92Å; Y712-I715 HydrophobicContact CE2-CG1 3.88Å; I715-E717 HydrophobicContact CG2-CG 4.04Å; I715-R722 HydrophobicContact CG2-CB 4.23Å; I715-R722 HydrophobicContact CG2-CG 4.36Å; I715-F723 WeakPolarHBondContact CA-O 3.5Å; I715-R724 HydrophobicContact CG1-CG 4.25Å; I715-C755 PolarHBondContact N-SG 3.3Å; I715-D756 PolarHBondContact N-O 2.98Å; I715-S757 WeakPolarHBondContact O-CA 3.25Å; I715-I758 PolarHBondContact O-N 2.89Å
716	F	90.8	Very high	81.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.7	165.1	-62.2	-66	0	0	0	109.4	V714 F723 C725 F730 F737 I758 L760 F768	V714-F716 HydrophobicContact CG1-CE2 3.95Å; V714-F716 HydrophobicContact CG1-CZ 4.13Å; V714-F716 HydrophobicContact CG2-CD1 4.15Å; V714-F716 HydrophobicContact CG2-CD2 4.4Å; V714-F716 HydrophobicContact CG2-CE1 3.8Å; V714-F716 HydrophobicContact CG2-CE2 4.07Å; V714-F716 HydrophobicContact CG2-CG 4.46Å; V714-F716 HydrophobicContact CG2-CZ 3.76Å; F716-F723 HydrophobicContact CB-CB 4.38Å; F716-F723 PolarHBondContact N-O 3.32Å; F716-F723 PolarHBondContact O-N 3.14Å; F716-C725 HydrophobicContact CD2-CB 3.88Å; F716-C725 HydrophobicContact CE2-CB 3.82Å; F716-F730 HydrophobicContact CD2-CE1 4.25Å; F716-F730 HydrophobicContact CD2-CZ 4.25Å; F716-F730 AromaticContact CE2-CD1 3.7Å; F716-F730 HydrophobicContact CE2-CD1 3.7Å; F716-F730 HydrophobicContact CE2-CD2 4.16Å; F716-F730 AromaticContact CE2-CE1 3.55Å; F716-F730 HydrophobicContact CE2-CE1 3.55Å; F716-F730 HydrophobicContact CE2-CE2 4.04Å; F716-F730 HydrophobicContact CE2-CG 4.01Å; F716-F730 AromaticContact CE2-CZ 3.74Å; F716-F730 HydrophobicContact CE2-CZ 3.74Å; F716-F730 AromaticContact CZ-CD1 3.89Å; F716-F730 HydrophobicContact CZ-CD1 3.89Å; F716-F730 HydrophobicContact CZ-CE1 4.13Å; F716-F730 HydrophobicContact CZ-CG 4.24Å; F716-F737 HydrophobicContact CE1-CD1 4.21Å; F716-F737 HydrophobicContact CE1-CE1 4.18Å; F716-F737 HydrophobicContact CZ-CD1 4.07Å; F716-F737 HydrophobicContact CZ-CE1 4.24Å; F716-I758 WeakPolarHBondContact CA-O 3.26Å; F716-I758 HydrophobicContact CD1-CB 3.98Å; F716-I758 HydrophobicContact CD1-CG2 4.17Å; F716-I758 HydrophobicContact CE1-CB 4.25Å; F716-I758 HydrophobicContact CE1-CD1 4.29Å; F716-I758 HydrophobicContact CE1-CG2 4.31Å; F716-L760 HydrophobicContact CB-CD1 3.96Å; F716-L760 HydrophobicContact CD1-CD1 3.51Å; F716-L760 HydrophobicContact CD1-CG 4.1Å; F716-L760 HydrophobicContact CE1-CD1 4.21Å; F716-L760 HydrophobicContact CG-CD1 3.89Å; F716-F768 HydrophobicContact CB-CE1 3.78Å; F716-F768 HydrophobicContact CB-CZ 3.88Å; F716-F768 HydrophobicContact CD1-CZ 4.45Å; F716-F768 AromaticContact CD2-CE1 3.94Å; F716-F768 HydrophobicContact CD2-CE1 3.94Å; F716-F768 AromaticContact CD2-CZ 3.66Å; F716-F768 HydrophobicContact CD2-CZ 3.66Å; F716-F768 HydrophobicContact CE2-CZ 4.29Å; F716-F768 HydrophobicContact CG-CE1 4.07Å; F716-F768 AromaticContact CG-CZ 3.74Å; F716-F768 HydrophobicContact CG-CZ 3.74Å
717	E	89.5	Confident	83.3	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.5	174.9	-54.1	-163.4	140.1	0	0	109.9	I715 R722 S757 I758 K759 L760	I715-E717 HydrophobicContact CG2-CG 4.04Å; E717-R722 HydrophobicContact CG-CG 4.26Å; E717-R722 IonicContact OE1-CZ 3.82Å; E717-R722 IonicContact OE1-NE 3.04Å; E717-R722 PolarHBondContact OE1-NE 2.84Å; E717-R722 IonicContact OE1-NH2 3.29Å; E717-R722 PolarHBondContact OE1-NH2 3.25Å; E717-S757 WeakPolarHBondContact CG-OG 3.46Å; E717-S757 PolarHBondContact OE1-OG 3.38Å; E717-I758 PolarHBondContact N-O 3.17Å; E717-K759 HydrophobicContact CB-CG 4.21Å; E717-K759 CarbonylContact O-C 3.57Å; E717-K759 WeakPolarHBondContact O-CA 3.42Å; E717-K759 VanDerWaalsContact OE2-CE 3.3Å; E717-K759 WeakPolarHBondContact OE2-CE 3.34Å; E717-K759 IonicContact OE2-NZ 2.69Å; E717-K759 PolarHBondContact OE2-NZ 3.46Å; E717-L760 PolarHBondContact O-N 2.98Å
718	L	90.3	Very high	85.3	Confident	16 Å²	16	37.3 Å²	37.3	8%	0.084	19%	0.192	C	C	.	.			trans	-107.6	177.8	165.6	-80.2	68.2	0	0	0	108.4	S720 S721 F723 L760 F763 D765 F768	L718-S720 PolarHBondContact O-N 3.35Å; L718-S720 VanDerWaalsContact O-N 3.1Å; L718-S721 PolarHBondContact N-O 3.13Å; L718-F723 HydrophobicContact CB-CE2 4.46Å; L718-F723 HydrophobicContact CD1-CD2 4.04Å; L718-F723 HydrophobicContact CD1-CE2 4.06Å; L718-F723 HydrophobicContact CD2-CE2 4.1Å; L718-F723 HydrophobicContact CG-CE2 4.44Å; L718-L760 HydrophobicContact CD1-CB 4.01Å; L718-L760 HydrophobicContact CD1-CD1 4.36Å; L718-F763 HydrophobicContact CD2-CB 4.03Å; L718-F763 WeakPolarHBondContact CD2-O 3.4Å; L718-D765 WeakPolarHBondContact CB-OD1 3.49Å; L718-F768 HydrophobicContact CD1-CD1 4.04Å; L718-F768 HydrophobicContact CD1-CE1 4.37Å; L718-F768 HydrophobicContact CD1-CG 4.22Å; L718-F768 HydrophobicContact CD2-CB 3.7Å; L718-F768 HydrophobicContact CD2-CD1 4.47Å; L718-F768 HydrophobicContact CD2-CG 4.13Å
719	D	78.1	Confident	87.2	Confident	151 Å²	151	33.4 Å²	33.4	81%	0.807	17%	0.171	S	C	*	.	S	Bend	trans	-56.2	-30.7	-172.3	-74.2	-12.6	0	0	0	114.5
720	S	79.8	Confident	88.7	Confident	98 Å²	98	31.2 Å²	31.2	69%	0.685	16%	0.158	S	C	*	.	S	Bend	trans	-131	-6.1	-178.5	43.5	0	0	0	0	116	L718 D765	L718-S720 PolarHBondContact O-N 3.35Å; L718-S720 VanDerWaalsContact O-N 3.1Å; S720-D765 WeakPolarHBondContact CB-OD2 3.32Å; S720-D765 PolarHBondContact OG-OD2 3.34Å
721	S	89.1	Confident	89.5	Confident	14 Å²	14	31 Å²	31	10%	0.098	16%	0.156	C	C	.	.			trans	-131.7	150.8	-177.9	-67.7	0	0	0	0	113.6	L718 F723 D765	L718-S721 PolarHBondContact N-O 3.13Å; S721-F723 VanDerWaalsContact CB-CE2 3.43Å; S721-D765 WeakPolarHBondContact CB-OD1 3.49Å; S721-D765 VanDerWaalsContact CB-OD2 3.25Å; S721-D765 WeakPolarHBondContact CB-OD2 3.23Å; S721-D765 PolarHBondContact N-OD2 3.16Å; S721-D765 PolarHBondContact OG-OD2 2.83Å
722	R	89.7	Confident	89.6	Confident	125 Å²	125	30 Å²	30	47%	0.472	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	170.3	-74.5	-179.3	160.4	151.9	-6.3	110	Q698 I715 E717	Q698-R722 PolarHBondContact NE2-O 2.99Å; Q698-R722 PolarHBondContact OE1-O 3.05Å; I715-R722 HydrophobicContact CG2-CB 4.23Å; I715-R722 HydrophobicContact CG2-CG 4.36Å; E717-R722 HydrophobicContact CG-CG 4.26Å; E717-R722 IonicContact OE1-CZ 3.82Å; E717-R722 IonicContact OE1-NE 3.04Å; E717-R722 PolarHBondContact OE1-NE 2.84Å; E717-R722 IonicContact OE1-NH2 3.29Å; E717-R722 PolarHBondContact OE1-NH2 3.25Å
723	F	91.1	Very high	89.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.7	-178.2	-60.8	-87.4	0	0	0	110.2	A695 M696 I715 F716 L718 S721 C725 F768 K769 I772	A695-F723 WeakPolarHBondContact O-CA 3.37Å; M696-F723 HydrophobicContact CG-CD1 4.23Å; M696-F723 HydrophobicContact CG-CE1 4.34Å; I715-F723 WeakPolarHBondContact CA-O 3.5Å; F716-F723 HydrophobicContact CB-CB 4.38Å; F716-F723 PolarHBondContact N-O 3.32Å; F716-F723 PolarHBondContact O-N 3.14Å; L718-F723 HydrophobicContact CB-CE2 4.46Å; L718-F723 HydrophobicContact CD1-CD2 4.04Å; L718-F723 HydrophobicContact CD1-CE2 4.06Å; L718-F723 HydrophobicContact CD2-CE2 4.1Å; L718-F723 HydrophobicContact CG-CE2 4.44Å; S721-F723 VanDerWaalsContact CB-CE2 3.43Å; F723-C725 PolarHBondContact O-N 3.14Å; F723-F768 HydrophobicContact CB-CE1 4.16Å; F723-F768 HydrophobicContact CD1-CD1 4.44Å; F723-F768 AromaticContact CD2-CD1 3.7Å; F723-F768 HydrophobicContact CD2-CD1 3.7Å; F723-F768 HydrophobicContact CD2-CE1 4.05Å; F723-F768 AromaticContact CE2-CD1 3.93Å; F723-F768 HydrophobicContact CE2-CD1 3.93Å; F723-F768 AromaticContact CG-CD1 3.97Å; F723-F768 HydrophobicContact CG-CD1 3.97Å; F723-F768 HydrophobicContact CG-CE1 4.11Å; F723-F768 HydrophobicContact CZ-CD1 4.39Å; F723-K769 HydrophobicContact CE1-CG 3.99Å; F723-K769 HydrophobicContact CZ-CG 4.38Å; F723-I772 HydrophobicContact CB-CD1 3.89Å; F723-I772 HydrophobicContact CD1-CD1 3.23Å; F723-I772 HydrophobicContact CE1-CD1 3.85Å; F723-I772 HydrophobicContact CG-CD1 3.68Å
724	R	91.6	Very high	89.6	Confident	29 Å²	29	26.6 Å²	26.6	11%	0.109	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	92.8	-174	-74	178.3	173.5	97.7	-15.8	110.1	A695 T699 E707 Y712 I715	A695-R724 WeakPolarHBondContact CA-O 3.23Å; A695-R724 WeakPolarHBondContact CB-O 3.49Å; A695-R724 PolarHBondContact O-N 3.28Å; A695-R724 VanDerWaalsContact O-N 3.08Å; T699-R724 PolarHBondContact OG1-NH1 2.88Å; T699-R724 PolarHBondContact OG1-NH2 2.88Å; E707-R724 IonicContact OE1-NH2 2.72Å; E707-R724 PolarHBondContact OE1-NH2 2.62Å; E707-R724 VanDerWaalsContact OE1-NH2 3.15Å; Y712-R724 HydrophobicContact CD1-CB 4Å; Y712-R724 HydrophobicContact CD1-CG 4.26Å; Y712-R724 HydrophobicContact CD2-CB 4.06Å; Y712-R724 HydrophobicContact CD2-CG 4.09Å; Y712-R724 HydrophobicContact CE1-CB 4.46Å; Y712-R724 HydrophobicContact CE1-CG 4.23Å; Y712-R724 HydrophobicContact CE2-CG 4.08Å; Y712-R724 HydrophobicContact CG-CB 3.77Å; Y712-R724 HydrophobicContact CG-CG 4.18Å; I715-R724 HydrophobicContact CG1-CG 4.25Å
725	C	92.5	Very high	89.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	172.6	-165	-76.1	0	0	0	0	113.8	Y712 D713 V714 F716 F723 F730	Y712-C725 WeakPolarHBondContact CA-O 3.47Å; Y712-C725 WeakPolarHBondContact CB-O 3.44Å; D713-C725 PolarHBondContact N-O 2.61Å; D713-C725 VanDerWaalsContact N-O 3.12Å; V714-C725 HydrophobicContact CG1-CB 3.84Å; V714-C725 WeakPolarHBondContact CG1-O 3.45Å; V714-C725 PolarHBondContact N-O 3.1Å; V714-C725 VanDerWaalsContact N-O 3.14Å; V714-C725 PolarHBondContact O-N 3.3Å; V714-C725 VanDerWaalsContact O-O 3.14Å; F716-C725 HydrophobicContact CD2-CB 3.88Å; F716-C725 HydrophobicContact CE2-CB 3.82Å; F723-C725 PolarHBondContact O-N 3.14Å; C725-F730 HydrophobicContact CB-CD2 4.22Å; C725-F730 HydrophobicContact CB-CE2 3.65Å; C725-F730 HydrophobicContact CB-CZ 4.23Å
726	H	92.1	Very high	89.1	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.019	15%	0.153	C	C	.	.			trans	-115	114.7	-179.4	-56.5	94.9	0	0	0	110.3	C578 S710 F711 D713 A728 F729 F730 Y776	C578-H726 WeakPolarHBondContact CB-NE2 3.32Å; S710-H726 PolarHBondContact O-NE2 3.31Å; F711-H726 PolarHBondContact O-CD2 3.1Å; F711-H726 PolarHBondContact O-NE2 3.2Å; D713-H726 WeakPolarHBondContact OD1-CA 3.13Å; H726-A728 PolarHBondContact O-N 3.01Å; H726-F729 HydrophobicContact CB-CD2 3.86Å; H726-F729 HydrophobicContact CB-CE2 4.44Å; H726-F729 PolarHBondContact O-N 2.88Å; H726-F729 VanDerWaalsContact O-N 3.1Å; H726-F730 PolarHBondContact O-N 2.85Å; H726-Y776 HydrophobicContact CB-CE1 4.37Å; H726-Y776 PolarHBondContact N-OH 2.96Å; H726-Y776 AromaticContact ND1-CE1 3.63Å; H726-Y776 AromaticContact ND1-CZ 3.61Å; H726-Y776 PolarHBondContact ND1-OH 2.99Å
727	Q	92.3	Very high	89	Confident	20 Å²	20	30.3 Å²	30.3	9%	0.093	15%	0.153	C	C	.	.	H	α-helix	trans	-52.6	-41.5	-178.8	-63.9	-174.2	21.6	0	0	111.3	H560 D713 V714 F729 F730 C731 L741	H560-Q727 PolarHBondContact CE1-OE1 2.96Å; H560-Q727 WeakPolarHBondContact ND1-CB 3.48Å; H560-Q727 PolarHBondContact ND1-OE1 3.27Å; D713-Q727 PolarHBondContact O-NE2 3.42Å; D713-Q727 WeakPolarHBondContact OD1-CG 3.38Å; D713-Q727 PolarHBondContact OD1-N 3.29Å; D713-Q727 WeakPolarHBondContact OD2-CB 3.31Å; V714-Q727 HydrophobicContact CB-CG 3.77Å; V714-Q727 HydrophobicContact CG1-CG 3.69Å; Q727-F729 VanDerWaalsContact C-N 3.27Å; Q727-F729 PolarHBondContact O-N 3.42Å; Q727-F729 VanDerWaalsContact O-N 3.16Å; Q727-F730 PolarHBondContact O-N 2.97Å; Q727-F730 VanDerWaalsContact O-N 3.08Å; Q727-C731 WeakPolarHBondContact O-CB 3.39Å; Q727-C731 PolarHBondContact O-N 3.22Å; Q727-L741 HydrophobicContact CB-CD1 4.08Å; Q727-L741 HydrophobicContact CG-CD1 4.08Å; Q727-L741 HydrophobicContact CG-CD2 3.97Å
728	A	92.2	Very high	88.8	Confident	3 Å²	3	31.6 Å²	31.6	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-41.2	-48.4	174.2	0	0	0	0	0	114.1	L554 H560 H726 L732	L554-A728 HydrophobicContact CD1-CB 4.1Å; L554-A728 HydrophobicContact CD2-CB 4.34Å; H560-A728 HydrophobicContact CB-CB 3.9Å; H726-A728 PolarHBondContact O-N 3.01Å; A728-L732 WeakPolarHBondContact O-CB 3.24Å; A728-L732 PolarHBondContact O-N 3.08Å
729	F	92.7	Very high	88.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-79.2	-40.1	-178.2	-70.8	-103	0	0	0	111.7	I551 V579 F688 L691 H726 Q727 L732 K733 V775 Y776	I551-F729 HydrophobicContact CD1-CD1 4.16Å; I551-F729 HydrophobicContact CD1-CE1 3.75Å; V579-F729 HydrophobicContact CG2-CE2 4.22Å; V579-F729 HydrophobicContact CG2-CZ 4.01Å; F688-F729 AromaticContact CD1-CE1 3.72Å; F688-F729 HydrophobicContact CD1-CE1 3.72Å; F688-F729 AromaticContact CD1-CZ 3.78Å; F688-F729 HydrophobicContact CD1-CZ 3.78Å; F688-F729 AromaticContact CE1-CE1 3.98Å; F688-F729 HydrophobicContact CE1-CE1 3.98Å; F688-F729 AromaticContact CE1-CZ 3.81Å; F688-F729 HydrophobicContact CE1-CZ 3.81Å; F688-F729 HydrophobicContact CG-CE1 4.48Å; L691-F729 HydrophobicContact CD1-CZ 4.37Å; H726-F729 HydrophobicContact CB-CD2 3.86Å; H726-F729 HydrophobicContact CB-CE2 4.44Å; H726-F729 PolarHBondContact O-N 2.88Å; H726-F729 VanDerWaalsContact O-N 3.1Å; Q727-F729 VanDerWaalsContact C-N 3.27Å; Q727-F729 PolarHBondContact O-N 3.42Å; Q727-F729 VanDerWaalsContact O-N 3.16Å; F729-L732 PolarHBondContact O-N 2.98Å; F729-K733 WeakPolarHBondContact O-CB 3.25Å; F729-K733 VanDerWaalsContact O-CG 3.27Å; F729-K733 WeakPolarHBondContact O-CG 3.48Å; F729-K733 PolarHBondContact O-N 3.01Å; F729-K733 VanDerWaalsContact O-N 3.13Å; F729-V775 HydrophobicContact CB-CG1 3.69Å; F729-Y776 HydrophobicContact CB-CD1 4.22Å; F729-Y776 HydrophobicContact CB-CE1 4.02Å; F729-Y776 AromaticContact CD1-CD1 3.5Å; F729-Y776 HydrophobicContact CD1-CD1 3.5Å; F729-Y776 AromaticContact CD1-CE1 3.95Å; F729-Y776 HydrophobicContact CD1-CE1 3.95Å; F729-Y776 HydrophobicContact CD1-CG 4.3Å; F729-Y776 AromaticContact CD2-CD1 3.97Å; F729-Y776 HydrophobicContact CD2-CD1 3.97Å; F729-Y776 AromaticContact CD2-CE1 3.54Å; F729-Y776 HydrophobicContact CD2-CE1 3.54Å; F729-Y776 AromaticContact CE1-CD1 3.7Å; F729-Y776 HydrophobicContact CE1-CD1 3.7Å; F729-Y776 HydrophobicContact CE1-CE1 4.26Å; F729-Y776 HydrophobicContact CE2-CD1 4.14Å; F729-Y776 AromaticContact CE2-CE1 3.88Å; F729-Y776 HydrophobicContact CE2-CE1 3.88Å; F729-Y776 AromaticContact CG-CD1 3.64Å; F729-Y776 HydrophobicContact CG-CD1 3.64Å; F729-Y776 AromaticContact CG-CE1 3.57Å; F729-Y776 HydrophobicContact CG-CE1 3.57Å; F729-Y776 HydrophobicContact CZ-CD1 4Å; F729-Y776 HydrophobicContact CZ-CE1 4.22Å
730	F	93.1	Very high	88.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-48.8	-178.5	-82.6	-102	0	0	0	111.9	F716 C725 H726 Q727 L732 K733 S734 F737 L741 F768 V771 I772 V775 Y776	F716-F730 HydrophobicContact CD2-CE1 4.25Å; F716-F730 HydrophobicContact CD2-CZ 4.25Å; F716-F730 AromaticContact CE2-CD1 3.7Å; F716-F730 HydrophobicContact CE2-CD1 3.7Å; F716-F730 HydrophobicContact CE2-CD2 4.16Å; F716-F730 AromaticContact CE2-CE1 3.55Å; F716-F730 HydrophobicContact CE2-CE1 3.55Å; F716-F730 HydrophobicContact CE2-CE2 4.04Å; F716-F730 HydrophobicContact CE2-CG 4.01Å; F716-F730 AromaticContact CE2-CZ 3.74Å; F716-F730 HydrophobicContact CE2-CZ 3.74Å; F716-F730 AromaticContact CZ-CD1 3.89Å; F716-F730 HydrophobicContact CZ-CD1 3.89Å; F716-F730 HydrophobicContact CZ-CE1 4.13Å; F716-F730 HydrophobicContact CZ-CG 4.24Å; C725-F730 HydrophobicContact CB-CD2 4.22Å; C725-F730 HydrophobicContact CB-CE2 3.65Å; C725-F730 HydrophobicContact CB-CZ 4.23Å; H726-F730 PolarHBondContact O-N 2.85Å; Q727-F730 PolarHBondContact O-N 2.97Å; Q727-F730 VanDerWaalsContact O-N 3.08Å; F730-L732 PolarHBondContact O-N 3.43Å; F730-K733 PolarHBondContact O-N 3.04Å; F730-S734 WeakPolarHBondContact O-CB 3.47Å; F730-S734 PolarHBondContact O-N 2.86Å; F730-F737 HydrophobicContact CB-CB 3.97Å; F730-F737 HydrophobicContact CB-CG 4.34Å; F730-F737 HydrophobicContact CD1-CB 4.3Å; F730-F737 HydrophobicContact CD1-CD1 4.01Å; F730-F737 AromaticContact CD1-CD2 3.7Å; F730-F737 HydrophobicContact CD1-CD2 3.7Å; F730-F737 HydrophobicContact CD1-CE1 4.27Å; F730-F737 AromaticContact CD1-CE2 3.99Å; F730-F737 HydrophobicContact CD1-CE2 3.99Å; F730-F737 AromaticContact CD1-CG 3.74Å; F730-F737 HydrophobicContact CD1-CG 3.74Å; F730-F737 HydrophobicContact CD1-CZ 4.29Å; F730-F737 HydrophobicContact CE1-CD2 4.39Å; F730-F737 HydrophobicContact CE1-CE2 4.23Å; F730-F737 HydrophobicContact CE1-CZ 4.33Å; F730-L741 HydrophobicContact CB-CD1 4.29Å; F730-F768 HydrophobicContact CE1-CZ 4.11Å; F730-F768 HydrophobicContact CZ-CZ 4.48Å; F730-V771 HydrophobicContact CE1-CG1 4.27Å; F730-I772 HydrophobicContact CZ-CG1 4.01Å; F730-V775 HydrophobicContact CD1-CG1 4.48Å; F730-V775 HydrophobicContact CD2-CG1 3.74Å; F730-V775 HydrophobicContact CE2-CG1 3.9Å; F730-V775 HydrophobicContact CG-CG1 4.04Å; F730-V775 HydrophobicContact CZ-CG1 4.35Å; F730-Y776 HydrophobicContact CE2-CE2 4.12Å
731	C	90.9	Very high	88.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-42.7	174.3	-66.3	0	0	0	0	112	H560 Q727 K733 R738 L741	H560-C731 VanDerWaalsContact CE1-SG 3.58Å; H560-C731 PolarHBondContact NE2-SG 3.22Å; Q727-C731 WeakPolarHBondContact O-CB 3.39Å; Q727-C731 PolarHBondContact O-N 3.22Å; C731-K733 VanDerWaalsContact C-N 3.28Å; C731-K733 PolarHBondContact O-N 3.21Å; C731-R738 HydrophobicContact CB-CB 4.17Å; C731-R738 HydrophobicContact CB-CG 4.5Å; C731-R738 PolarHBondContact O-NH1 3.15Å; C731-R738 PolarHBondContact O-NH2 3.29Å; C731-L741 VanDerWaalsContact SG-CD1 3.51Å
732	L	89.4	Confident	88.3	Confident	24 Å²	24	28.5 Å²	28.5	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-36	-180	175.5	69.4	0	0	0	113.3	H550 I551 R553 L554 A728 F729 F730	H550-L732 HydrophobicContact CB-CD1 4.36Å; H550-L732 HydrophobicContact CB-CD2 3.99Å; H550-L732 HydrophobicContact CB-CG 4.12Å; H550-L732 WeakPolarHBondContact O-CD1 3.43Å; I551-L732 HydrophobicContact CD1-CD2 4.12Å; R553-L732 HydrophobicContact CB-CD1 4.4Å; L554-L732 HydrophobicContact CB-CD1 4.48Å; L554-L732 HydrophobicContact CB-CD2 3.98Å; L554-L732 HydrophobicContact CD2-CD2 4.25Å; L554-L732 HydrophobicContact CG-CD2 4.49Å; A728-L732 WeakPolarHBondContact O-CB 3.24Å; A728-L732 PolarHBondContact O-N 3.08Å; F729-L732 PolarHBondContact O-N 2.98Å; F730-L732 PolarHBondContact O-N 3.43Å
733	K	88.1	Confident	87.3	Confident	25 Å²	25	23.6 Å²	23.6	11%	0.109	12%	0.115	C	C	.	.	H	α-helix	trans	-97.8	-23.6	-173.9	-63.9	-70.3	-169	-174.2	0	114.6	H550 F729 F730 C731 V775 E778 L799	H550-K733 HydrophobicContact CB-CD 4.46Å; H550-K733 PolarHBondContact ND1-NZ 3.47Å; F729-K733 WeakPolarHBondContact O-CB 3.25Å; F729-K733 VanDerWaalsContact O-CG 3.27Å; F729-K733 WeakPolarHBondContact O-CG 3.48Å; F729-K733 PolarHBondContact O-N 3.01Å; F729-K733 VanDerWaalsContact O-N 3.13Å; F730-K733 PolarHBondContact O-N 3.04Å; C731-K733 VanDerWaalsContact C-N 3.28Å; C731-K733 PolarHBondContact O-N 3.21Å; K733-V775 HydrophobicContact CB-CG1 4.5Å; K733-V775 HydrophobicContact CB-CG2 4.14Å; K733-V775 WeakPolarHBondContact CE-O 3.5Å; K733-V775 HydrophobicContact CG-CB 4.48Å; K733-V775 HydrophobicContact CG-CG1 4.24Å; K733-V775 WeakPolarHBondContact CG-O 3.36Å; K733-E778 IonicContact NZ-OE1 2.81Å; K733-E778 PolarHBondContact NZ-OE1 3.02Å; K733-L799 HydrophobicContact CB-CD2 4.26Å
734	S	89.5	Confident	85.7	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	16%	0.156	C	C	.	.			trans	-138.4	122.1	-169.9	169.9	0	0	0	0	112	F730 Y736 F737 R738 C797	F730-S734 WeakPolarHBondContact O-CB 3.47Å; F730-S734 PolarHBondContact O-N 2.86Å; S734-Y736 VanDerWaalsContact C-N 3.26Å; S734-Y736 PolarHBondContact O-N 3.16Å; S734-Y736 PolarHBondContact OG-N 2.97Å; S734-F737 PolarHBondContact O-N 3.08Å; S734-F737 WeakPolarHBondContact OG-CD2 3.21Å; S734-F737 PolarHBondContact OG-N 3.04Å; S734-R738 WeakPolarHBondContact O-CB 3.15Å; S734-R738 PolarHBondContact O-N 3.33Å; S734-C797 WeakPolarHBondContact CB-O 3.47Å; S734-C797 PolarHBondContact OG-O 2.86Å
735	E	80.9	Confident	83.9	Confident	79 Å²	79	34.1 Å²	34.1	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-71	-25.1	173.3	-161.4	61.2	-166.3	0	0	112.1	R738 T739 L798	E735-R738 WeakPolarHBondContact OE2-CD 3.46Å; E735-R738 IonicContact OE2-CZ 2.85Å; E735-R738 IonicContact OE2-NE 2.67Å; E735-R738 IonicContact OE2-NH1 3.94Å; E735-R738 PolarHBondContact OE2-NH1 3.36Å; E735-T739 VanDerWaalsContact O-CB 3.24Å; E735-T739 WeakPolarHBondContact O-CB 3.23Å; E735-T739 PolarHBondContact O-N 3.06Å; E735-T739 PolarHBondContact O-OG1 3.44Å; E735-L798 HydrophobicContact CB-CD1 4.18Å
736	Y	87.2	Confident	82.3	Confident	25 Å²	25	35 Å²	35	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-51.7	170	168.7	-94.2	0	0	0	110.6	S734 T739 L740 Q762 F796 C797	S734-Y736 VanDerWaalsContact C-N 3.26Å; S734-Y736 PolarHBondContact O-N 3.16Å; S734-Y736 PolarHBondContact OG-N 2.97Å; Y736-T739 PolarHBondContact O-N 3.1Å; Y736-L740 HydrophobicContact CE1-CD2 4.08Å; Y736-L740 WeakPolarHBondContact O-CB 3.42Å; Y736-L740 PolarHBondContact O-N 3.33Å; Y736-Q762 PolarHBondContact OH-NE2 3.09Å; Y736-F796 HydrophobicContact CD2-CE1 4.22Å; Y736-F796 HydrophobicContact CE1-CE1 4.25Å; Y736-F796 HydrophobicContact CE2-CD1 4.3Å; Y736-F796 AromaticContact CE2-CE1 3.51Å; Y736-F796 HydrophobicContact CE2-CE1 3.51Å; Y736-F796 AromaticContact CE2-CZ 3.86Å; Y736-F796 HydrophobicContact CE2-CZ 3.86Å; Y736-F796 AromaticContact CZ-CE1 3.54Å; Y736-C797 HydrophobicContact CD1-CB 4.33Å
737	F	88.8	Confident	80.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.6	-34.7	179.6	-71.3	-68.7	0	0	0	112.6	F716 F730 S734 L740 L741 L760 F763 F768 V771 C797	F716-F737 HydrophobicContact CE1-CD1 4.21Å; F716-F737 HydrophobicContact CE1-CE1 4.18Å; F716-F737 HydrophobicContact CZ-CD1 4.07Å; F716-F737 HydrophobicContact CZ-CE1 4.24Å; F730-F737 HydrophobicContact CB-CB 3.97Å; F730-F737 HydrophobicContact CB-CG 4.34Å; F730-F737 HydrophobicContact CD1-CB 4.3Å; F730-F737 HydrophobicContact CD1-CD1 4.01Å; F730-F737 AromaticContact CD1-CD2 3.7Å; F730-F737 HydrophobicContact CD1-CD2 3.7Å; F730-F737 HydrophobicContact CD1-CE1 4.27Å; F730-F737 AromaticContact CD1-CE2 3.99Å; F730-F737 HydrophobicContact CD1-CE2 3.99Å; F730-F737 AromaticContact CD1-CG 3.74Å; F730-F737 HydrophobicContact CD1-CG 3.74Å; F730-F737 HydrophobicContact CD1-CZ 4.29Å; F730-F737 HydrophobicContact CE1-CD2 4.39Å; F730-F737 HydrophobicContact CE1-CE2 4.23Å; F730-F737 HydrophobicContact CE1-CZ 4.33Å; S734-F737 PolarHBondContact O-N 3.08Å; S734-F737 WeakPolarHBondContact OG-CD2 3.21Å; S734-F737 PolarHBondContact OG-N 3.04Å; F737-L740 HydrophobicContact CD1-CD2 4.17Å; F737-L740 HydrophobicContact CE1-CD2 4.42Å; F737-L740 PolarHBondContact O-N 3.49Å; F737-L741 VanDerWaalsContact O-CB 3.3Å; F737-L741 WeakPolarHBondContact O-CB 3.17Å; F737-L741 WeakPolarHBondContact O-CD1 3.31Å; F737-L741 VanDerWaalsContact O-CG 3.31Å; F737-L741 WeakPolarHBondContact O-CG 3.17Å; F737-L741 PolarHBondContact O-N 3.43Å; F737-L760 HydrophobicContact CE1-CD1 4.23Å; F737-F763 HydrophobicContact CZ-CE2 4.37Å; F737-F768 HydrophobicContact CE1-CE2 4.45Å; F737-F768 AromaticContact CZ-CE2 3.96Å; F737-F768 HydrophobicContact CZ-CE2 3.96Å; F737-V771 HydrophobicContact CE2-CG1 3.93Å; F737-V771 HydrophobicContact CZ-CG1 4.29Å; F737-C797 HydrophobicContact CE2-CB 3.89Å; F737-C797 VanDerWaalsContact CE2-SG 3.59Å
738	R	85.4	Confident	78.3	Confident	50 Å²	50	51.2 Å²	51.2	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-51.5	168.4	-178.3	-179.1	-83.2	101.1	5.9	110.8	E559 C731 S734 E735 L740 L741 H742	E559-R738 IonicContact OE2-NH2 3.52Å; E559-R738 PolarHBondContact OE2-NH2 3.37Å; C731-R738 HydrophobicContact CB-CB 4.17Å; C731-R738 HydrophobicContact CB-CG 4.5Å; C731-R738 PolarHBondContact O-NH1 3.15Å; C731-R738 PolarHBondContact O-NH2 3.29Å; S734-R738 WeakPolarHBondContact O-CB 3.15Å; S734-R738 PolarHBondContact O-N 3.33Å; E735-R738 WeakPolarHBondContact OE2-CD 3.46Å; E735-R738 IonicContact OE2-CZ 2.85Å; E735-R738 IonicContact OE2-NE 2.67Å; E735-R738 IonicContact OE2-NH1 3.94Å; E735-R738 PolarHBondContact OE2-NH1 3.36Å; R738-L740 VanDerWaalsContact C-N 3.32Å; R738-L740 PolarHBondContact O-N 2.88Å; R738-L741 PolarHBondContact O-N 3.11Å; R738-H742 PolarHBondContact O-CD2 2.95Å; R738-H742 PolarHBondContact O-N 3.19Å; R738-H742 VanDerWaalsContact O-N 3.09Å
739	T	81	Confident	75.9	Confident	70 Å²	70	57.5 Å²	57.5	43%	0.429	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-38.9	179.4	-58.5	0	0	0	0	111.9	E735 Y736 S743	E735-T739 VanDerWaalsContact O-CB 3.24Å; E735-T739 WeakPolarHBondContact O-CB 3.23Å; E735-T739 PolarHBondContact O-N 3.06Å; E735-T739 PolarHBondContact O-OG1 3.44Å; Y736-T739 PolarHBondContact O-N 3.1Å; T739-S743 WeakPolarHBondContact O-CB 3.34Å; T739-S743 PolarHBondContact O-N 3.1Å; T739-S743 VanDerWaalsContact O-N 3.16Å
740	L	83.9	Confident	73.2	Confident	41 Å²	41	63.1 Å²	63.1	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-50.6	177.9	-176.3	60.7	0	0	0	111.7	Y736 F737 R738 H742 S743 V746 I758 L760	Y736-L740 HydrophobicContact CE1-CD2 4.08Å; Y736-L740 WeakPolarHBondContact O-CB 3.42Å; Y736-L740 PolarHBondContact O-N 3.33Å; F737-L740 HydrophobicContact CD1-CD2 4.17Å; F737-L740 HydrophobicContact CE1-CD2 4.42Å; F737-L740 PolarHBondContact O-N 3.49Å; R738-L740 VanDerWaalsContact C-N 3.32Å; R738-L740 PolarHBondContact O-N 2.88Å; L740-H742 VanDerWaalsContact C-N 3.35Å; L740-H742 PolarHBondContact O-N 3.18Å; L740-S743 WeakPolarHBondContact O-CB 3.27Å; L740-S743 PolarHBondContact O-N 3.01Å; L740-S743 VanDerWaalsContact O-N 3.08Å; L740-V746 WeakPolarHBondContact O-CG2 3.4Å; L740-I758 HydrophobicContact CD2-CG2 4.03Å; L740-L760 HydrophobicContact CD2-CD2 3.97Å
741	L	83.9	Confident	70.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-28.1	-175.6	-72.9	164.5	0	0	0	113.6	V714 Q727 F730 C731 F737 R738 R748 I758	V714-L741 HydrophobicContact CB-CD2 4.36Å; V714-L741 HydrophobicContact CG2-CD2 4.03Å; Q727-L741 HydrophobicContact CB-CD1 4.08Å; Q727-L741 HydrophobicContact CG-CD1 4.08Å; Q727-L741 HydrophobicContact CG-CD2 3.97Å; F730-L741 HydrophobicContact CB-CD1 4.29Å; C731-L741 VanDerWaalsContact SG-CD1 3.51Å; F737-L741 VanDerWaalsContact O-CB 3.3Å; F737-L741 WeakPolarHBondContact O-CB 3.17Å; F737-L741 WeakPolarHBondContact O-CD1 3.31Å; F737-L741 VanDerWaalsContact O-CG 3.31Å; F737-L741 WeakPolarHBondContact O-CG 3.17Å; F737-L741 PolarHBondContact O-N 3.43Å; R738-L741 PolarHBondContact O-N 3.11Å; L741-R748 PolarHBondContact O-NH2 3.24Å; L741-I758 HydrophobicContact CD2-CD1 3.52Å; L741-I758 HydrophobicContact CG-CD1 4.46Å
742	H	77.1	Confident	67.8	Low	103 Å²	103	77.4 Å²	77.4	48%	0.477	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.7	171.6	-60.6	-60.7	0	0	0	113.7	H560 R738 L740	H560-H742 AromaticContact CE1-CE1 3.78Å; H560-H742 AromaticContact NE2-CE1 3.93Å; H560-H742 AromaticContact NE2-NE2 3.81Å; R738-H742 PolarHBondContact O-CD2 2.95Å; R738-H742 PolarHBondContact O-N 3.19Å; R738-H742 VanDerWaalsContact O-N 3.09Å; L740-H742 VanDerWaalsContact C-N 3.35Å; L740-H742 PolarHBondContact O-N 3.18Å
743	S	69.9	Low	65.8	Low	22 Å²	22	80.2 Å²	80.2	15%	0.154	42%	0.423	C	S	.	.			trans	-68.7	132.2	179.4	-178	0	0	0	0	112	T739 L740 L745 V746	T739-S743 WeakPolarHBondContact O-CB 3.34Å; T739-S743 PolarHBondContact O-N 3.1Å; T739-S743 VanDerWaalsContact O-N 3.16Å; L740-S743 WeakPolarHBondContact O-CB 3.27Å; L740-S743 PolarHBondContact O-N 3.01Å; L740-S743 VanDerWaalsContact O-N 3.08Å; S743-L745 PolarHBondContact O-N 3.46Å; S743-L745 PolarHBondContact OG-N 3.46Å; S743-V746 PolarHBondContact O-N 3.48Å; S743-V746 VanDerWaalsContact O-N 3.08Å
744	P	56.8	Low	64.1	Low	132 Å²	132	81.6 Å²	81.6	86%	0.857	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-9	172.5	-24.6	34.8	0	0	0	115.3
745	L	53.6	Low	62.9	Low	117 Å²	117	83.5 Å²	83.5	61%	0.613	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-18.8	174.4	-66.8	-169.7	0	0	0	114.1	W38 S743 R747	W38-L745 HydrophobicContact CH2-CD1 3.34Å; W38-L745 HydrophobicContact CH2-CD2 4.09Å; W38-L745 HydrophobicContact CH2-CG 3.59Å; W38-L745 HydrophobicContact CZ2-CD1 3.84Å; W38-L745 HydrophobicContact CZ2-CG 4.09Å; W38-L745 HydrophobicContact CZ3-CD1 3.8Å; W38-L745 HydrophobicContact CZ3-CG 4.43Å; S743-L745 PolarHBondContact O-N 3.46Å; S743-L745 PolarHBondContact OG-N 3.46Å; L745-R747 PolarHBondContact O-N 3.46Å; L745-R747 VanDerWaalsContact O-N 3.09Å
746	V	59.4	Low	62.5	Low	20 Å²	20	80.6 Å²	80.6	12%	0.121	44%	0.439	C	S	.	.	S	Bend	trans	-64.9	115.1	175.5	175.5	0	0	0	0	107.9	L740 S743 R748 D756 I758	L740-V746 WeakPolarHBondContact O-CG2 3.4Å; S743-V746 PolarHBondContact O-N 3.48Å; S743-V746 VanDerWaalsContact O-N 3.08Å; V746-R748 VanDerWaalsContact C-N 3.28Å; V746-R748 PolarHBondContact O-N 2.91Å; V746-D756 HydrophobicContact CG1-CB 4.35Å; V746-I758 HydrophobicContact CG1-CD1 4.12Å; V746-I758 HydrophobicContact CG1-CG1 4.15Å; V746-I758 HydrophobicContact CG2-CD1 4.05Å
747	R	47.9	Very low	62.2	Low	207 Å²	207	82 Å²	82	78%	0.781	45%	0.452	S	S	*	.			trans	-71.5	87	177.7	-73.2	-171.5	-179.1	-177	2.6	109.6	L745 E749	L745-R747 PolarHBondContact O-N 3.46Å; L745-R747 VanDerWaalsContact O-N 3.09Å; R747-E749 PolarHBondContact O-N 2.93Å
748	R	52.2	Low	62.1	Low	157 Å²	157	82.6 Å²	82.6	59%	0.592	46%	0.456	S	S	*	.			trans	-63.3	87.6	158.9	-54.9	-159.6	171.2	135.4	9.9	107.9	L741 V746 S750 D756	L741-R748 PolarHBondContact O-NH2 3.24Å; V746-R748 VanDerWaalsContact C-N 3.28Å; V746-R748 PolarHBondContact O-N 2.91Å; R748-S750 PolarHBondContact O-N 3.28Å; R748-D756 WeakPolarHBondContact CG-OD1 3.5Å; R748-D756 IonicContact NE-OD2 2.74Å
749	E	42.1	Very low	62.1	Low	135 Å²	135	87.9 Å²	87.9	63%	0.631	48%	0.48	S	S	*	.			trans	-59.5	128	174.3	-64.5	-157.8	153.8	0	0	108.1	R747 N751	R747-E749 PolarHBondContact O-N 2.93Å; E749-N751 PolarHBondContact O-N 3.46Å
750	S	35.8	Very low	62.2	Low	118 Å²	118	84.7 Å²	84.7	83%	0.825	46%	0.46	S	S	*	.	S	Bend	trans	-76.1	26.5	-159	54.5	0	0	0	0	115	R748	R748-S750 PolarHBondContact O-N 3.28Å
751	N	37	Very low	61.7	Low	115 Å²	115	85.8 Å²	85.8	62%	0.615	48%	0.481	S	S	*	.			trans	-81.2	115.1	170.4	-71.2	-23.4	0	0	0	108.8	E749 G753 A754	E749-N751 PolarHBondContact O-N 3.46Å; N751-G753 PolarHBondContact O-N 2.78Å; N751-A754 HydrophobicContact CB-CB 3.82Å; N751-A754 WeakPolarHBondContact O-CB 3.44Å; N751-A754 PolarHBondContact O-N 3.25Å
752	I	34.6	Very low	61.4	Low	184 Å²	184	89.3 Å²	89.3	94%	0.944	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	108.8	-179.8	-60.9	168.8	0	0	0	108.6
753	G	46.8	Very low	61.8	Low	83 Å²	83	85.2 Å²	85.2	86%	0.856	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	2.8	-175.7	0	0	0	0	0	115.4	N751	N751-G753 PolarHBondContact O-N 2.78Å
754	A	52.1	Low	62.7	Low	55 Å²	55	86.5 Å²	86.5	46%	0.455	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-72.2	139	166.8	0	0	0	0	0	111.1	N751	N751-A754 HydrophobicContact CB-CB 3.82Å; N751-A754 WeakPolarHBondContact O-CB 3.44Å; N751-A754 PolarHBondContact O-N 3.25Å
755	C	64.2	Low	64.3	Low	40 Å²	40	81.5 Å²	81.5	27%	0.27	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-75.8	138.7	173.3	178.9	0	0	0	0	110.4	Y712 V714 I715 S757	Y712-C755 HydrophobicContact CD2-CB 4.46Å; Y712-C755 HydrophobicContact CE2-CB 4.15Å; V714-C755 WeakPolarHBondContact CA-SG 3.43Å; V714-C755 PolarHBondContact N-SG 3.5Å; I715-C755 PolarHBondContact N-SG 3.3Å; C755-S757 PolarHBondContact O-N 3.29Å
756	D	71.9	Confident	66	Low	19 Å²	19	78.9 Å²	78.9	10%	0.102	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	125	174.7	-82	-27.2	0	0	0	109.8	V714 I715 V746 R748	V714-D756 CarbonylContact C-O 3.59Å; V714-D756 WeakPolarHBondContact CA-O 3.47Å; I715-D756 PolarHBondContact N-O 2.98Å; V746-D756 HydrophobicContact CG1-CB 4.35Å; R748-D756 WeakPolarHBondContact CG-OD1 3.5Å; R748-D756 IonicContact NE-OD2 2.74Å
757	S	82.1	Confident	67.6	Low	54 Å²	54	78 Å²	78	38%	0.378	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.6	179.1	-174.3	0	0	0	0	110.4	I715 E717 C755	I715-S757 WeakPolarHBondContact O-CA 3.25Å; E717-S757 WeakPolarHBondContact CG-OG 3.46Å; E717-S757 PolarHBondContact OE1-OG 3.38Å; C755-S757 PolarHBondContact O-N 3.29Å
758	I	85.6	Confident	69.8	Low	13 Å²	13	68.2 Å²	68.2	7%	0.067	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.6	-169.7	-62.8	-179.5	0	0	0	109.5	V714 I715 F716 E717 L740 L741 V746 L760	V714-I758 HydrophobicContact CG2-CD1 4.14Å; I715-I758 PolarHBondContact O-N 2.89Å; F716-I758 WeakPolarHBondContact CA-O 3.26Å; F716-I758 HydrophobicContact CD1-CB 3.98Å; F716-I758 HydrophobicContact CD1-CG2 4.17Å; F716-I758 HydrophobicContact CE1-CB 4.25Å; F716-I758 HydrophobicContact CE1-CD1 4.29Å; F716-I758 HydrophobicContact CE1-CG2 4.31Å; E717-I758 PolarHBondContact N-O 3.17Å; L740-I758 HydrophobicContact CD2-CG2 4.03Å; L741-I758 HydrophobicContact CD2-CD1 3.52Å; L741-I758 HydrophobicContact CG-CD1 4.46Å; V746-I758 HydrophobicContact CG1-CD1 4.12Å; V746-I758 HydrophobicContact CG1-CG1 4.15Å; V746-I758 HydrophobicContact CG2-CD1 4.05Å; I758-L760 HydrophobicContact CG2-CD2 3.86Å; I758-L760 HydrophobicContact CG2-CG 4.33Å
759	K	85.3	Confident	71.8	Confident	160 Å²	160	64.7 Å²	64.7	70%	0.696	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	128.3	176.5	-56.9	-167.9	-179.4	-92.8	0	110.7	E717	E717-K759 HydrophobicContact CB-CG 4.21Å; E717-K759 CarbonylContact O-C 3.57Å; E717-K759 WeakPolarHBondContact O-CA 3.42Å; E717-K759 VanDerWaalsContact OE2-CE 3.3Å; E717-K759 WeakPolarHBondContact OE2-CE 3.34Å; E717-K759 IonicContact OE2-NZ 2.69Å; E717-K759 PolarHBondContact OE2-NZ 3.46Å
760	L	84.5	Confident	74.3	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	37%	0.367	C	S	.	.			trans	-120.9	60.7	-178.9	-59.2	178.6	0	0	0	111	F716 E717 L718 F737 L740 I758 Q762 F763 F768	F716-L760 HydrophobicContact CB-CD1 3.96Å; F716-L760 HydrophobicContact CD1-CD1 3.51Å; F716-L760 HydrophobicContact CD1-CG 4.1Å; F716-L760 HydrophobicContact CE1-CD1 4.21Å; F716-L760 HydrophobicContact CG-CD1 3.89Å; E717-L760 PolarHBondContact O-N 2.98Å; L718-L760 HydrophobicContact CD1-CB 4.01Å; L718-L760 HydrophobicContact CD1-CD1 4.36Å; F737-L760 HydrophobicContact CE1-CD1 4.23Å; L740-L760 HydrophobicContact CD2-CD2 3.97Å; I758-L760 HydrophobicContact CG2-CD2 3.86Å; I758-L760 HydrophobicContact CG2-CG 4.33Å; L760-Q762 VanDerWaalsContact C-OE1 3.24Å; L760-Q762 PolarHBondContact O-N 2.88Å; L760-F763 HydrophobicContact CB-CD2 3.75Å; L760-F763 HydrophobicContact CB-CE2 4.24Å; L760-F763 HydrophobicContact CD1-CD2 3.86Å; L760-F763 HydrophobicContact CD1-CE2 3.98Å; L760-F763 HydrophobicContact CD2-CE2 4.36Å; L760-F763 HydrophobicContact CG-CD2 4.32Å; L760-F763 HydrophobicContact CG-CE2 4.44Å; L760-F763 PolarHBondContact O-N 3.12Å; L760-F763 VanDerWaalsContact O-N 3.13Å; L760-F768 HydrophobicContact CD1-CD2 4.33Å; L760-F768 HydrophobicContact CD1-CE2 3.52Å; L760-F768 HydrophobicContact CD1-CZ 3.64Å
761	G	73.3	Confident	77	Confident	63 Å²	63	54.1 Å²	54.1	65%	0.649	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	11.9	-176.3	0	0	0	0	0	116.3
762	Q	76.5	Confident	79.8	Confident	74 Å²	74	48.6 Å²	48.6	35%	0.346	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	0.7	173.4	76.3	-76.7	0.8	0	0	113.7	Y736 L760 F796	Y736-Q762 PolarHBondContact OH-NE2 3.09Å; L760-Q762 VanDerWaalsContact C-OE1 3.24Å; L760-Q762 PolarHBondContact O-N 2.88Å; Q762-F796 HydrophobicContact CG-CE1 4.38Å
763	F	85.3	Confident	82.5	Confident	17 Å²	17	41.3 Å²	41.3	8%	0.075	26%	0.263	C	S	.	.	S	Bend	trans	-121.5	148.8	179.1	-55	-42.7	0	0	0	111.6	L718 F737 L760 F768 V793 F796 C797	L718-F763 HydrophobicContact CD2-CB 4.03Å; L718-F763 WeakPolarHBondContact CD2-O 3.4Å; F737-F763 HydrophobicContact CZ-CE2 4.37Å; L760-F763 HydrophobicContact CB-CD2 3.75Å; L760-F763 HydrophobicContact CB-CE2 4.24Å; L760-F763 HydrophobicContact CD1-CD2 3.86Å; L760-F763 HydrophobicContact CD1-CE2 3.98Å; L760-F763 HydrophobicContact CD2-CE2 4.36Å; L760-F763 HydrophobicContact CG-CD2 4.32Å; L760-F763 HydrophobicContact CG-CE2 4.44Å; L760-F763 PolarHBondContact O-N 3.12Å; L760-F763 VanDerWaalsContact O-N 3.13Å; F763-F768 HydrophobicContact CB-CB 4.47Å; F763-F768 HydrophobicContact CB-CD2 4.4Å; F763-F768 AromaticContact CD2-CD2 3.73Å; F763-F768 HydrophobicContact CD2-CD2 3.73Å; F763-F768 HydrophobicContact CD2-CE2 4.02Å; F763-F768 HydrophobicContact CE2-CD2 4.38Å; F763-F768 HydrophobicContact CE2-CE2 4.32Å; F763-F768 HydrophobicContact CG-CD2 4.31Å; F763-V793 HydrophobicContact CD1-CB 4.45Å; F763-V793 HydrophobicContact CD1-CG1 3.91Å; F763-V793 HydrophobicContact CD1-CG2 3.64Å; F763-V793 HydrophobicContact CE1-CB 4.36Å; F763-V793 HydrophobicContact CE1-CG1 3.74Å; F763-V793 HydrophobicContact CE1-CG2 3.86Å; F763-V793 HydrophobicContact CZ-CG1 4.34Å; F763-F796 AromaticContact CE1-CD1 3.8Å; F763-F796 HydrophobicContact CE1-CD1 3.8Å; F763-F796 HydrophobicContact CE1-CE1 4.07Å; F763-F796 AromaticContact CZ-CD1 3.68Å; F763-F796 HydrophobicContact CZ-CD1 3.68Å; F763-F796 AromaticContact CZ-CE1 3.71Å; F763-F796 HydrophobicContact CZ-CE1 3.71Å; F763-C797 WeakPolarHBondContact CZ-SG 3.48Å
764	S	89	Confident	84.7	Confident	49 Å²	49	37.9 Å²	37.9	34%	0.343	23%	0.225	S	C	.	.			trans	-93.1	152.6	173.3	64.7	0	0	0	0	112.3	S766 V767 F768	S764-S766 PolarHBondContact O-N 2.91Å; S764-S766 VanDerWaalsContact O-N 3.12Å; S764-S766 PolarHBondContact OG-OG 3.1Å; S764-V767 PolarHBondContact O-N 3.18Å; S764-V767 WeakPolarHBondContact OG-CB 3.4Å; S764-V767 WeakPolarHBondContact OG-CG2 3.07Å; S764-V767 PolarHBondContact OG-N 3.42Å; S764-F768 WeakPolarHBondContact O-CB 3.49Å; S764-F768 PolarHBondContact O-N 3.17Å
765	D	90.6	Very high	86.6	Confident	28 Å²	28	35.3 Å²	35.3	15%	0.15	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.3	179.9	-77.5	1.7	0	0	0	113.9	L718 S720 S721 K769	L718-D765 WeakPolarHBondContact CB-OD1 3.49Å; S720-D765 WeakPolarHBondContact CB-OD2 3.32Å; S720-D765 PolarHBondContact OG-OD2 3.34Å; S721-D765 WeakPolarHBondContact CB-OD1 3.49Å; S721-D765 VanDerWaalsContact CB-OD2 3.25Å; S721-D765 WeakPolarHBondContact CB-OD2 3.23Å; S721-D765 PolarHBondContact N-OD2 3.16Å; S721-D765 PolarHBondContact OG-OD2 2.83Å; D765-K769 WeakPolarHBondContact O-CD 3.39Å; D765-K769 WeakPolarHBondContact O-CE 3.36Å; D765-K769 WeakPolarHBondContact O-CG 3.4Å; D765-K769 PolarHBondContact O-NZ 3.02Å
766	S	90.1	Very high	87.8	Confident	61 Å²	61	33.5 Å²	33.5	43%	0.427	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-55.7	171.3	44.8	0	0	0	0	110.5	S764 F768 K769	S764-S766 PolarHBondContact O-N 2.91Å; S764-S766 VanDerWaalsContact O-N 3.12Å; S764-S766 PolarHBondContact OG-OG 3.1Å; S766-F768 VanDerWaalsContact C-N 3.33Å; S766-F768 PolarHBondContact O-N 3.09Å; S766-K769 WeakPolarHBondContact O-CB 3.1Å; S766-K769 PolarHBondContact O-N 2.81Å; S766-K769 VanDerWaalsContact O-N 3.12Å
767	V	92.8	Very high	88.4	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-173.3	177.8	0	0	0	0	111.9	S764 K769 Y770 V771 D789 V790 V793	S764-V767 PolarHBondContact O-N 3.18Å; S764-V767 WeakPolarHBondContact OG-CB 3.4Å; S764-V767 WeakPolarHBondContact OG-CG2 3.07Å; S764-V767 PolarHBondContact OG-N 3.42Å; V767-K769 PolarHBondContact O-N 3.14Å; V767-Y770 PolarHBondContact O-N 3.21Å; V767-V771 PolarHBondContact O-N 3.4Å; V767-D789 HydrophobicContact CG2-CB 3.69Å; V767-V790 HydrophobicContact CG1-CG2 4.16Å; V767-V790 HydrophobicContact CG2-CG2 4.5Å; V767-V793 HydrophobicContact CG1-CB 3.76Å; V767-V793 HydrophobicContact CG1-CG1 4.1Å; V767-V793 HydrophobicContact CG1-CG2 3.6Å
768	F	93.8	Very high	88.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-21.5	179.1	-162.7	-109.1	0	0	0	113.8	F716 L718 F723 F730 F737 L760 F763 S764 S766 Y770 V771 I772	F716-F768 HydrophobicContact CB-CE1 3.78Å; F716-F768 HydrophobicContact CB-CZ 3.88Å; F716-F768 HydrophobicContact CD1-CZ 4.45Å; F716-F768 AromaticContact CD2-CE1 3.94Å; F716-F768 HydrophobicContact CD2-CE1 3.94Å; F716-F768 AromaticContact CD2-CZ 3.66Å; F716-F768 HydrophobicContact CD2-CZ 3.66Å; F716-F768 HydrophobicContact CE2-CZ 4.29Å; F716-F768 HydrophobicContact CG-CE1 4.07Å; F716-F768 AromaticContact CG-CZ 3.74Å; F716-F768 HydrophobicContact CG-CZ 3.74Å; L718-F768 HydrophobicContact CD1-CD1 4.04Å; L718-F768 HydrophobicContact CD1-CE1 4.37Å; L718-F768 HydrophobicContact CD1-CG 4.22Å; L718-F768 HydrophobicContact CD2-CB 3.7Å; L718-F768 HydrophobicContact CD2-CD1 4.47Å; L718-F768 HydrophobicContact CD2-CG 4.13Å; F723-F768 HydrophobicContact CB-CE1 4.16Å; F723-F768 HydrophobicContact CD1-CD1 4.44Å; F723-F768 AromaticContact CD2-CD1 3.7Å; F723-F768 HydrophobicContact CD2-CD1 3.7Å; F723-F768 HydrophobicContact CD2-CE1 4.05Å; F723-F768 AromaticContact CE2-CD1 3.93Å; F723-F768 HydrophobicContact CE2-CD1 3.93Å; F723-F768 AromaticContact CG-CD1 3.97Å; F723-F768 HydrophobicContact CG-CD1 3.97Å; F723-F768 HydrophobicContact CG-CE1 4.11Å; F723-F768 HydrophobicContact CZ-CD1 4.39Å; F730-F768 HydrophobicContact CE1-CZ 4.11Å; F730-F768 HydrophobicContact CZ-CZ 4.48Å; F737-F768 HydrophobicContact CE1-CE2 4.45Å; F737-F768 AromaticContact CZ-CE2 3.96Å; F737-F768 HydrophobicContact CZ-CE2 3.96Å; L760-F768 HydrophobicContact CD1-CD2 4.33Å; L760-F768 HydrophobicContact CD1-CE2 3.52Å; L760-F768 HydrophobicContact CD1-CZ 3.64Å; F763-F768 HydrophobicContact CB-CB 4.47Å; F763-F768 HydrophobicContact CB-CD2 4.4Å; F763-F768 AromaticContact CD2-CD2 3.73Å; F763-F768 HydrophobicContact CD2-CD2 3.73Å; F763-F768 HydrophobicContact CD2-CE2 4.02Å; F763-F768 HydrophobicContact CE2-CD2 4.38Å; F763-F768 HydrophobicContact CE2-CE2 4.32Å; F763-F768 HydrophobicContact CG-CD2 4.31Å; S764-F768 WeakPolarHBondContact O-CB 3.49Å; S764-F768 PolarHBondContact O-N 3.17Å; S766-F768 VanDerWaalsContact C-N 3.33Å; S766-F768 PolarHBondContact O-N 3.09Å; F768-Y770 VanDerWaalsContact C-N 3.34Å; F768-V771 HydrophobicContact CD2-CB 4.2Å; F768-V771 HydrophobicContact CD2-CG1 4.32Å; F768-V771 HydrophobicContact CE2-CB 4.48Å; F768-V771 HydrophobicContact CE2-CG1 4.11Å; F768-V771 WeakPolarHBondContact O-CB 3.43Å; F768-V771 PolarHBondContact O-N 3.24Å; F768-I772 HydrophobicContact CD1-CD1 3.66Å; F768-I772 HydrophobicContact CD1-CG1 4.07Å; F768-I772 HydrophobicContact CE1-CD1 3.76Å; F768-I772 HydrophobicContact CE1-CG1 3.92Å; F768-I772 WeakPolarHBondContact O-CG1 3.44Å; F768-I772 PolarHBondContact O-N 2.84Å
769	K	93.9	Very high	88	Confident	83 Å²	83	35.9 Å²	35.9	36%	0.361	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-33.8	173.9	-68.2	168.9	-178	134.5	0	112	M696 F723 D765 S766 V767 I772 T773	M696-K769 HydrophobicContact CG-CG 4.35Å; M696-K769 HydrophobicContact SD-CB 3.6Å; M696-K769 HydrophobicContact SD-CD 4.47Å; M696-K769 HydrophobicContact SD-CG 3.67Å; F723-K769 HydrophobicContact CE1-CG 3.99Å; F723-K769 HydrophobicContact CZ-CG 4.38Å; D765-K769 WeakPolarHBondContact O-CD 3.39Å; D765-K769 WeakPolarHBondContact O-CE 3.36Å; D765-K769 WeakPolarHBondContact O-CG 3.4Å; D765-K769 PolarHBondContact O-NZ 3.02Å; S766-K769 WeakPolarHBondContact O-CB 3.1Å; S766-K769 PolarHBondContact O-N 2.81Å; S766-K769 VanDerWaalsContact O-N 3.12Å; V767-K769 PolarHBondContact O-N 3.14Å; K769-I772 PolarHBondContact O-N 3.44Å; K769-T773 WeakPolarHBondContact O-CB 3.3Å; K769-T773 PolarHBondContact O-N 3.13Å; K769-T773 PolarHBondContact O-OG1 2.96Å
770	Y	94.2	Very high	88.1	Confident	30 Å²	30	28.9 Å²	28.9	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-38.9	172.5	-60.3	-62	0	0	0	111.6	V767 F768 T773 H774 V780 K781 L782 D783 T786 V790	V767-Y770 PolarHBondContact O-N 3.21Å; F768-Y770 VanDerWaalsContact C-N 3.34Å; Y770-T773 PolarHBondContact O-N 3.43Å; Y770-H774 WeakPolarHBondContact O-CB 3.46Å; Y770-H774 PolarHBondContact O-N 3.46Å; Y770-V780 HydrophobicContact CD1-CG1 3.65Å; Y770-V780 HydrophobicContact CE1-CG1 4.49Å; Y770-V780 HydrophobicContact CG-CG1 4.36Å; Y770-K781 WeakPolarHBondContact CE1-O 3.49Å; Y770-L782 HydrophobicContact CD1-CD2 3.9Å; Y770-L782 HydrophobicContact CE1-CD2 4.15Å; Y770-L782 HydrophobicContact CG-CD2 4.1Å; Y770-D783 PolarHBondContact OH-N 3.2Å; Y770-D783 PolarHBondContact OH-OD2 2.91Å; Y770-D783 VanDerWaalsContact OH-OD2 3.13Å; Y770-T786 WeakPolarHBondContact CE2-OG1 3.26Å; Y770-T786 PolarHBondContact OH-OG1 3.5Å; Y770-T786 VanDerWaalsContact OH-OG1 3.05Å; Y770-V790 HydrophobicContact CD2-CG1 4.41Å; Y770-V790 HydrophobicContact CD2-CG2 3.25Å; Y770-V790 HydrophobicContact CE2-CG2 3.59Å; Y770-V790 HydrophobicContact CG-CG1 4.48Å; Y770-V790 HydrophobicContact CG-CG2 4.06Å
771	V	94.2	Very high	88.3	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-50.9	172.1	172.3	0	0	0	0	110.9	F730 F737 V767 F768 T773 H774 V775 V793 L799 L802	F730-V771 HydrophobicContact CE1-CG1 4.27Å; F737-V771 HydrophobicContact CE2-CG1 3.93Å; F737-V771 HydrophobicContact CZ-CG1 4.29Å; V767-V771 PolarHBondContact O-N 3.4Å; F768-V771 HydrophobicContact CD2-CB 4.2Å; F768-V771 HydrophobicContact CD2-CG1 4.32Å; F768-V771 HydrophobicContact CE2-CB 4.48Å; F768-V771 HydrophobicContact CE2-CG1 4.11Å; F768-V771 WeakPolarHBondContact O-CB 3.43Å; F768-V771 PolarHBondContact O-N 3.24Å; V771-T773 PolarHBondContact O-N 3.37Å; V771-H774 PolarHBondContact O-N 3.12Å; V771-V775 HydrophobicContact CG1-CG2 4.46Å; V771-V775 WeakPolarHBondContact O-CB 3.42Å; V771-V775 VanDerWaalsContact O-CG2 3.23Å; V771-V775 WeakPolarHBondContact O-CG2 3.48Å; V771-V775 PolarHBondContact O-N 3.15Å; V771-V793 HydrophobicContact CG2-CG1 3.55Å; V771-L799 HydrophobicContact CG1-CD1 4.05Å; V771-L799 HydrophobicContact CG2-CD1 4.39Å; V771-L802 HydrophobicContact CG2-CD2 4.47Å
772	I	94.3	Very high	89.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.6	-53.1	176.2	-69.6	162.8	0	0	0	110.5	A692 A695 M696 F723 F730 F768 K769 H774 V775 Y776	A692-I772 HydrophobicContact CB-CG2 4.28Å; A695-I772 HydrophobicContact CB-CG2 4.37Å; M696-I772 HydrophobicContact CE-CG2 4.29Å; M696-I772 HydrophobicContact CG-CB 4.3Å; M696-I772 HydrophobicContact CG-CD1 3.77Å; M696-I772 HydrophobicContact CG-CG2 3.84Å; M696-I772 HydrophobicContact SD-CB 4.33Å; M696-I772 HydrophobicContact SD-CG2 4.15Å; F723-I772 HydrophobicContact CB-CD1 3.89Å; F723-I772 HydrophobicContact CD1-CD1 3.23Å; F723-I772 HydrophobicContact CE1-CD1 3.85Å; F723-I772 HydrophobicContact CG-CD1 3.68Å; F730-I772 HydrophobicContact CZ-CG1 4.01Å; F768-I772 HydrophobicContact CD1-CD1 3.66Å; F768-I772 HydrophobicContact CD1-CG1 4.07Å; F768-I772 HydrophobicContact CE1-CD1 3.76Å; F768-I772 HydrophobicContact CE1-CG1 3.92Å; F768-I772 WeakPolarHBondContact O-CG1 3.44Å; F768-I772 PolarHBondContact O-N 2.84Å; K769-I772 PolarHBondContact O-N 3.44Å; I772-H774 PolarHBondContact O-N 3.31Å; I772-V775 PolarHBondContact O-N 3.47Å; I772-Y776 HydrophobicContact CG2-CD2 3.88Å; I772-Y776 HydrophobicContact CG2-CE2 3.9Å; I772-Y776 VanDerWaalsContact O-CD2 3.28Å; I772-Y776 WeakPolarHBondContact O-CD2 3.45Å; I772-Y776 PolarHBondContact O-N 3.25Å; I772-Y776 VanDerWaalsContact O-N 3.17Å
773	T	92.5	Very high	90	Very high	31 Å²	31	36.8 Å²	36.8	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-47.5	-177.3	-55.9	0	0	0	0	111	K769 Y770 V771 V775 Y776 C777 V780	K769-T773 WeakPolarHBondContact O-CB 3.3Å; K769-T773 PolarHBondContact O-N 3.13Å; K769-T773 PolarHBondContact O-OG1 2.96Å; Y770-T773 PolarHBondContact O-N 3.43Å; V771-T773 PolarHBondContact O-N 3.37Å; T773-V775 PolarHBondContact O-N 3.47Å; T773-Y776 PolarHBondContact O-N 3.1Å; T773-C777 PolarHBondContact O-N 2.9Å; T773-C777 PolarHBondContact O-SG 3.38Å; T773-V780 HydrophobicContact CG2-CG2 4.22Å
774	H	92	Very high	90.3	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-46.2	176.6	-168.7	72.3	0	0	0	112.5	Y770 V771 I772 Y776 E778 V780 L802 Q805	Y770-H774 WeakPolarHBondContact O-CB 3.46Å; Y770-H774 PolarHBondContact O-N 3.46Å; V771-H774 PolarHBondContact O-N 3.12Å; I772-H774 PolarHBondContact O-N 3.31Å; H774-Y776 PolarHBondContact O-N 2.96Å; H774-E778 WeakPolarHBondContact O-CA 3.46Å; H774-E778 PolarHBondContact O-N 3.33Å; H774-V780 HydrophobicContact CB-CG2 3.65Å; H774-L802 HydrophobicContact CB-CB 4.34Å; H774-L802 HydrophobicContact CB-CD1 4.28Å; H774-L802 HydrophobicContact CB-CD2 4.18Å; H774-L802 PolarHBondContact CE1-N 3.37Å; H774-L802 PolarHBondContact NE2-N 2.85Å; H774-Q805 PolarHBondContact CE1-OE1 3.39Å; H774-Q805 PolarHBondContact ND1-OE1 3.27Å
775	V	92.2	Very high	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-37.8	-175.1	161.9	0	0	0	0	112.5	F729 F730 K733 V771 I772 T773 L799	F729-V775 HydrophobicContact CB-CG1 3.69Å; F730-V775 HydrophobicContact CD1-CG1 4.48Å; F730-V775 HydrophobicContact CD2-CG1 3.74Å; F730-V775 HydrophobicContact CE2-CG1 3.9Å; F730-V775 HydrophobicContact CG-CG1 4.04Å; F730-V775 HydrophobicContact CZ-CG1 4.35Å; K733-V775 HydrophobicContact CB-CG1 4.5Å; K733-V775 HydrophobicContact CB-CG2 4.14Å; K733-V775 WeakPolarHBondContact CE-O 3.5Å; K733-V775 HydrophobicContact CG-CB 4.48Å; K733-V775 HydrophobicContact CG-CG1 4.24Å; K733-V775 WeakPolarHBondContact CG-O 3.36Å; V771-V775 HydrophobicContact CG1-CG2 4.46Å; V771-V775 WeakPolarHBondContact O-CB 3.42Å; V771-V775 VanDerWaalsContact O-CG2 3.23Å; V771-V775 WeakPolarHBondContact O-CG2 3.48Å; V771-V775 PolarHBondContact O-N 3.15Å; I772-V775 PolarHBondContact O-N 3.47Å; T773-V775 PolarHBondContact O-N 3.47Å; V775-L799 HydrophobicContact CG2-CD1 4.49Å; V775-L799 HydrophobicContact CG2-CD2 4.23Å
776	Y	90.4	Very high	90.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-83.1	-45.7	178	-74.2	-78.8	0	0	0	114	F688 L691 A692 A695 H726 F729 F730 I772 T773 H774	F688-Y776 WeakPolarHBondContact CB-O 3.43Å; L691-Y776 HydrophobicContact CB-CD1 4.11Å; L691-Y776 HydrophobicContact CB-CE1 4.25Å; A692-Y776 HydrophobicContact CB-CD2 3.79Å; A692-Y776 HydrophobicContact CB-CG 4.02Å; A695-Y776 HydrophobicContact CB-CE2 4.2Å; H726-Y776 HydrophobicContact CB-CE1 4.37Å; H726-Y776 PolarHBondContact N-OH 2.96Å; H726-Y776 AromaticContact ND1-CE1 3.63Å; H726-Y776 AromaticContact ND1-CZ 3.61Å; H726-Y776 PolarHBondContact ND1-OH 2.99Å; F729-Y776 HydrophobicContact CB-CD1 4.22Å; F729-Y776 HydrophobicContact CB-CE1 4.02Å; F729-Y776 AromaticContact CD1-CD1 3.5Å; F729-Y776 HydrophobicContact CD1-CD1 3.5Å; F729-Y776 AromaticContact CD1-CE1 3.95Å; F729-Y776 HydrophobicContact CD1-CE1 3.95Å; F729-Y776 HydrophobicContact CD1-CG 4.3Å; F729-Y776 AromaticContact CD2-CD1 3.97Å; F729-Y776 HydrophobicContact CD2-CD1 3.97Å; F729-Y776 AromaticContact CD2-CE1 3.54Å; F729-Y776 HydrophobicContact CD2-CE1 3.54Å; F729-Y776 AromaticContact CE1-CD1 3.7Å; F729-Y776 HydrophobicContact CE1-CD1 3.7Å; F729-Y776 HydrophobicContact CE1-CE1 4.26Å; F729-Y776 HydrophobicContact CE2-CD1 4.14Å; F729-Y776 AromaticContact CE2-CE1 3.88Å; F729-Y776 HydrophobicContact CE2-CE1 3.88Å; F729-Y776 AromaticContact CG-CD1 3.64Å; F729-Y776 HydrophobicContact CG-CD1 3.64Å; F729-Y776 AromaticContact CG-CE1 3.57Å; F729-Y776 HydrophobicContact CG-CE1 3.57Å; F729-Y776 HydrophobicContact CZ-CD1 4Å; F729-Y776 HydrophobicContact CZ-CE1 4.22Å; F730-Y776 HydrophobicContact CE2-CE2 4.12Å; I772-Y776 HydrophobicContact CG2-CD2 3.88Å; I772-Y776 HydrophobicContact CG2-CE2 3.9Å; I772-Y776 VanDerWaalsContact O-CD2 3.28Å; I772-Y776 WeakPolarHBondContact O-CD2 3.45Å; I772-Y776 PolarHBondContact O-N 3.25Å; I772-Y776 VanDerWaalsContact O-N 3.17Å; T773-Y776 PolarHBondContact O-N 3.1Å; H774-Y776 PolarHBondContact O-N 2.96Å
777	C	84.2	Confident	90.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-123.4	-10.7	-165.4	72.8	0	0	0	0	116	F688 C689 T773 D779	F688-C777 HydrophobicContact CB-CB 4.46Å; C689-C777 WeakPolarHBondContact SG-CB 3.48Å; T773-C777 PolarHBondContact O-N 2.9Å; T773-C777 PolarHBondContact O-SG 3.38Å; C777-D779 PolarHBondContact O-N 3.19Å; C777-D779 PolarHBondContact SG-N 3.05Å
778	E	81.4	Confident	90.7	Very high	46 Å²	46	48.4 Å²	48.4	22%	0.215	24%	0.241	C	C	.	.	S	Bend	trans	59.5	-11.4	-170.9	-58.1	178.4	175.3	0	0	115.7	P547 H550 K733 H774 V780 Q805	P547-E778 WeakPolarHBondContact CA-OE2 3.1Å; P547-E778 HydrophobicContact CB-CG 4.43Å; P547-E778 HydrophobicContact CG-CB 4.48Å; H550-E778 IonicContact CE1-OE1 3.77Å; H550-E778 IonicContact ND1-OE1 3.1Å; H550-E778 PolarHBondContact ND1-OE1 3.22Å; H550-E778 VanDerWaalsContact ND1-OE1 3.15Å; K733-E778 IonicContact NZ-OE1 2.81Å; K733-E778 PolarHBondContact NZ-OE1 3.02Å; H774-E778 WeakPolarHBondContact O-CA 3.46Å; H774-E778 PolarHBondContact O-N 3.33Å; E778-V780 PolarHBondContact O-N 2.94Å; E778-Q805 PolarHBondContact O-NE2 3.28Å
779	D	77.2	Confident	90.7	Very high	89 Å²	89	52.3 Å²	52.3	48%	0.476	26%	0.262	S	S	.	.			trans	-92.6	84.3	-175.3	-160.8	0.2	0	0	0	111.1	C777	C777-D779 PolarHBondContact O-N 3.19Å; C777-D779 PolarHBondContact SG-N 3.05Å
780	V	86.6	Confident	90.8	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.085	25%	0.245	C	C	.	.			trans	-105.8	117.8	-174.9	-168.2	0	0	0	0	110	Y770 T773 H774 E778 L782 L802	Y770-V780 HydrophobicContact CD1-CG1 3.65Å; Y770-V780 HydrophobicContact CE1-CG1 4.49Å; Y770-V780 HydrophobicContact CG-CG1 4.36Å; T773-V780 HydrophobicContact CG2-CG2 4.22Å; H774-V780 HydrophobicContact CB-CG2 3.65Å; E778-V780 PolarHBondContact O-N 2.94Å; V780-L782 HydrophobicContact CG1-CD2 3.63Å; V780-L782 HydrophobicContact CG1-CG 3.97Å; V780-L802 HydrophobicContact CB-CD1 4.32Å; V780-L802 HydrophobicContact CG1-CD1 4.21Å; V780-L802 HydrophobicContact CG2-CD1 4.14Å
781	K	90.5	Very high	90.8	Very high	183 Å²	183	47 Å²	47	80%	0.796	24%	0.24	S	C	*	.			trans	-77.5	121.9	161.6	-59.1	-175.9	-179.1	-173.9	0	107	Y770	Y770-K781 WeakPolarHBondContact CE1-O 3.49Å
782	L	92.3	Very high	90.7	Very high	24 Å²	24	51.8 Å²	51.8	13%	0.126	26%	0.263	C	S	.	.			trans	-111.7	134.7	-178.2	-70.9	174.8	0	0	0	109.3	Y770 V780 V790 L802 Q805 L809	Y770-L782 HydrophobicContact CD1-CD2 3.9Å; Y770-L782 HydrophobicContact CE1-CD2 4.15Å; Y770-L782 HydrophobicContact CG-CD2 4.1Å; V780-L782 HydrophobicContact CG1-CD2 3.63Å; V780-L782 HydrophobicContact CG1-CG 3.97Å; L782-V790 HydrophobicContact CD2-CB 4.47Å; L782-V790 HydrophobicContact CD2-CG1 3.84Å; L782-L802 HydrophobicContact CD1-CD1 4.48Å; L782-L802 HydrophobicContact CD2-CD1 4.15Å; L782-Q805 HydrophobicContact CD1-CB 3.8Å; L782-L809 HydrophobicContact CB-CD2 3.71Å; L782-L809 WeakPolarHBondContact O-CD2 3.46Å
783	D	91.6	Very high	90.6	Very high	99 Å²	99	52.2 Å²	52.2	53%	0.529	27%	0.266	S	S	.	.			trans	-93.3	133	175.1	-58.8	-32.9	0	0	0	110	Y770 E785 T786 V787	Y770-D783 PolarHBondContact OH-N 3.2Å; Y770-D783 PolarHBondContact OH-OD2 2.91Å; Y770-D783 VanDerWaalsContact OH-OD2 3.13Å; D783-E785 VanDerWaalsContact C-N 3.29Å; D783-E785 PolarHBondContact O-N 3.33Å; D783-T786 PolarHBondContact O-N 2.86Å; D783-T786 PolarHBondContact O-OG1 3.07Å; D783-V787 PolarHBondContact O-N 3.43Å
784	V	92.4	Very high	90.5	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.436	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-55.6	-42.9	-175.2	-174.7	0	0	0	0	111.8	T786 V787 L809 H813	V784-T786 PolarHBondContact O-N 2.91Å; V784-V787 WeakPolarHBondContact O-CG1 3.43Å; V784-V787 PolarHBondContact O-N 3.39Å; V784-V787 VanDerWaalsContact O-N 3.11Å; V784-L809 HydrophobicContact CG2-CD1 4.22Å; V784-L809 HydrophobicContact CG2-CD2 4.15Å; V784-L809 HydrophobicContact CG2-CG 4.28Å; V784-H813 VanDerWaalsContact CG2-CD2 3.5Å; V784-H813 WeakPolarHBondContact CG2-CD2 3.23Å
785	E	91.6	Very high	90.3	Very high	200 Å²	200	52 Å²	52	94%	0.935	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-57.6	-15	176.9	-60.1	-177.7	178.9	0	0	114.5	D783	D783-E785 VanDerWaalsContact C-N 3.29Å; D783-E785 PolarHBondContact O-N 3.33Å
786	T	92.8	Very high	90.1	Very high	32 Å²	32	56.3 Å²	56.3	20%	0.196	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-116.3	-0.2	-177.6	64.5	0	0	0	0	113.7	Y770 D783 V784 D788 D789 V790	Y770-T786 WeakPolarHBondContact CE2-OG1 3.26Å; Y770-T786 PolarHBondContact OH-OG1 3.5Å; Y770-T786 VanDerWaalsContact OH-OG1 3.05Å; D783-T786 PolarHBondContact O-N 2.86Å; D783-T786 PolarHBondContact O-OG1 3.07Å; V784-T786 PolarHBondContact O-N 2.91Å; T786-D788 PolarHBondContact O-N 3.24Å; T786-D789 PolarHBondContact O-N 3.09Å; T786-V790 VanDerWaalsContact O-CG2 3.27Å; T786-V790 WeakPolarHBondContact O-CG2 3.4Å; T786-V790 PolarHBondContact O-N 3.24Å; T786-V790 VanDerWaalsContact O-N 3.09Å
787	V	94.7	Very high	90	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-36.4	-165.4	75.2	0	0	0	0	113.4	D783 V784 V790 L791 C806 L809 M810	D783-V787 PolarHBondContact O-N 3.43Å; V784-V787 WeakPolarHBondContact O-CG1 3.43Å; V784-V787 PolarHBondContact O-N 3.39Å; V784-V787 VanDerWaalsContact O-N 3.11Å; V787-V790 PolarHBondContact O-N 2.84Å; V787-L791 VanDerWaalsContact O-CB 3.23Å; V787-L791 WeakPolarHBondContact O-CB 3.45Å; V787-L791 PolarHBondContact O-N 3.29Å; V787-C806 HydrophobicContact CG2-CB 3.8Å; V787-L809 HydrophobicContact CB-CD2 4.27Å; V787-L809 HydrophobicContact CG2-CB 4.31Å; V787-L809 HydrophobicContact CG2-CD2 4Å; V787-M810 HydrophobicContact CB-CG 4.5Å; V787-M810 HydrophobicContact CG1-CG 3.82Å; V787-M810 HydrophobicContact CG1-SD 4.49Å; V787-M810 HydrophobicContact CG2-CG 3.82Å; V787-M810 HydrophobicContact CG2-SD 4.46Å
788	D	92.5	Very high	90	Very high	92 Å²	92	59.8 Å²	59.8	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-70.4	-44.4	-179.3	-62.2	-66.5	0	0	0	112.9	T786 V790 L791 M792 M810	T786-D788 PolarHBondContact O-N 3.24Å; D788-V790 VanDerWaalsContact C-N 3.31Å; D788-V790 PolarHBondContact O-N 2.97Å; D788-L791 PolarHBondContact O-N 3Å; D788-M792 WeakPolarHBondContact O-CB 3.41Å; D788-M792 PolarHBondContact O-N 3.04Å; D788-M810 WeakPolarHBondContact OD1-CE 3.42Å
789	D	93.7	Very high	90.3	Very high	82 Å²	82	57.7 Å²	57.7	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-43.8	173.7	-93	-13	0	0	0	110.8	V767 T786 M792 V793	V767-D789 HydrophobicContact CG2-CB 3.69Å; T786-D789 PolarHBondContact O-N 3.09Å; D789-M792 PolarHBondContact O-N 2.81Å; D789-V793 WeakPolarHBondContact O-CG2 3.37Å; D789-V793 PolarHBondContact O-N 3Å
790	V	95.3	Very high	90.4	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-36.1	178.1	-176.1	0	0	0	0	111.3	V767 Y770 L782 T786 V787 D788 V793 A794 L802	V767-V790 HydrophobicContact CG1-CG2 4.16Å; V767-V790 HydrophobicContact CG2-CG2 4.5Å; Y770-V790 HydrophobicContact CD2-CG1 4.41Å; Y770-V790 HydrophobicContact CD2-CG2 3.25Å; Y770-V790 HydrophobicContact CE2-CG2 3.59Å; Y770-V790 HydrophobicContact CG-CG1 4.48Å; Y770-V790 HydrophobicContact CG-CG2 4.06Å; L782-V790 HydrophobicContact CD2-CB 4.47Å; L782-V790 HydrophobicContact CD2-CG1 3.84Å; T786-V790 VanDerWaalsContact O-CG2 3.27Å; T786-V790 WeakPolarHBondContact O-CG2 3.4Å; T786-V790 PolarHBondContact O-N 3.24Å; T786-V790 VanDerWaalsContact O-N 3.09Å; V787-V790 PolarHBondContact O-N 2.84Å; D788-V790 VanDerWaalsContact C-N 3.31Å; D788-V790 PolarHBondContact O-N 2.97Å; V790-V793 PolarHBondContact O-N 3.36Å; V790-A794 WeakPolarHBondContact O-CB 3.2Å; V790-A794 PolarHBondContact O-N 3.3Å; V790-L802 HydrophobicContact CG1-CD1 4.02Å; V790-L802 HydrophobicContact CG1-CD2 3.91Å; V790-L802 HydrophobicContact CG1-CG 3.95Å
791	L	94.6	Very high	90.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-45.8	174.7	175.2	54.7	0	0	0	111.5	V787 D788 A794 N795 K803 C806 M810 F829 L831	V787-L791 VanDerWaalsContact O-CB 3.23Å; V787-L791 WeakPolarHBondContact O-CB 3.45Å; V787-L791 PolarHBondContact O-N 3.29Å; D788-L791 PolarHBondContact O-N 3Å; L791-A794 PolarHBondContact O-N 3.38Å; L791-N795 WeakPolarHBondContact O-CB 3.3Å; L791-N795 PolarHBondContact O-N 3.32Å; L791-K803 HydrophobicContact CD1-CB 4.43Å; L791-K803 HydrophobicContact CD1-CG 3.86Å; L791-C806 HydrophobicContact CB-CB 3.85Å; L791-C806 HydrophobicContact CD1-CB 4.16Å; L791-C806 HydrophobicContact CG-CB 4.45Å; L791-M810 HydrophobicContact CD2-CE 4.44Å; L791-M810 HydrophobicContact CD2-SD 3.68Å; L791-F829 HydrophobicContact CD1-CB 4.4Å; L791-F829 HydrophobicContact CD1-CD2 4.27Å; L791-F829 HydrophobicContact CD1-CG 4.29Å; L791-F829 HydrophobicContact CD2-CD2 3.49Å; L791-F829 VanDerWaalsContact CD2-CD2 3.49Å; L791-F829 HydrophobicContact CD2-CE2 3.86Å; L791-F829 HydrophobicContact CD2-CG 4.29Å; L791-F829 HydrophobicContact CG-CD2 3.64Å; L791-F829 HydrophobicContact CG-CE2 3.82Å; L791-F829 HydrophobicContact CG-CG 4.11Å; L791-F829 HydrophobicContact CG-CZ 4.43Å; L791-L831 HydrophobicContact CD1-CD1 3.92Å; L791-L831 HydrophobicContact CD2-CD1 3.81Å
792	M	92.5	Very high	90.3	Very high	102 Å²	102	49.4 Å²	49.4	50%	0.502	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-49.3	174.8	176.1	174.5	56.2	0	0	111	D788 D789 N795 F796 F829	D788-M792 WeakPolarHBondContact O-CB 3.41Å; D788-M792 PolarHBondContact O-N 3.04Å; D789-M792 PolarHBondContact O-N 2.81Å; M792-N795 PolarHBondContact O-N 3.09Å; M792-F796 WeakPolarHBondContact O-CB 3.39Å; M792-F796 PolarHBondContact O-N 2.86Å; M792-F829 HydrophobicContact CB-CZ 4.24Å
793	V	92.4	Very high	90.1	Very high	9 Å²	9	50 Å²	50	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-37.2	179	171.9	0	0	0	0	112	F763 V767 V771 D789 V790 N795 F796 C797	F763-V793 HydrophobicContact CD1-CB 4.45Å; F763-V793 HydrophobicContact CD1-CG1 3.91Å; F763-V793 HydrophobicContact CD1-CG2 3.64Å; F763-V793 HydrophobicContact CE1-CB 4.36Å; F763-V793 HydrophobicContact CE1-CG1 3.74Å; F763-V793 HydrophobicContact CE1-CG2 3.86Å; F763-V793 HydrophobicContact CZ-CG1 4.34Å; V767-V793 HydrophobicContact CG1-CB 3.76Å; V767-V793 HydrophobicContact CG1-CG1 4.1Å; V767-V793 HydrophobicContact CG1-CG2 3.6Å; V771-V793 HydrophobicContact CG2-CG1 3.55Å; D789-V793 WeakPolarHBondContact O-CG2 3.37Å; D789-V793 PolarHBondContact O-N 3Å; V790-V793 PolarHBondContact O-N 3.36Å; V793-N795 VanDerWaalsContact C-N 3.32Å; V793-N795 PolarHBondContact O-N 2.97Å; V793-F796 PolarHBondContact O-N 3.43Å; V793-C797 VanDerWaalsContact O-CB 3.27Å; V793-C797 WeakPolarHBondContact O-CB 3.43Å; V793-C797 PolarHBondContact O-N 2.87Å
794	A	90	Very high	89.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-37.5	175.1	0	0	0	0	0	112.1	V790 L791 L798 L799 L802 K803	V790-A794 WeakPolarHBondContact O-CB 3.2Å; V790-A794 PolarHBondContact O-N 3.3Å; L791-A794 PolarHBondContact O-N 3.38Å; A794-L798 PolarHBondContact O-N 3.33Å; A794-L799 HydrophobicContact CB-CB 4.48Å; A794-L799 PolarHBondContact O-N 3Å; A794-L802 HydrophobicContact CB-CB 3.85Å; A794-L802 HydrophobicContact CB-CD2 3.93Å; A794-L802 HydrophobicContact CB-CG 3.77Å; A794-K803 HydrophobicContact CB-CB 4Å
795	N	87.9	Confident	89.8	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.193	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-48.2	173.2	-170	73.4	0	0	0	111.4	L791 M792 V793 L798 K803 F829	L791-N795 WeakPolarHBondContact O-CB 3.3Å; L791-N795 PolarHBondContact O-N 3.32Å; M792-N795 PolarHBondContact O-N 3.09Å; V793-N795 VanDerWaalsContact C-N 3.32Å; V793-N795 PolarHBondContact O-N 2.97Å; N795-L798 PolarHBondContact O-N 3.02Å; N795-L798 VanDerWaalsContact O-N 3.12Å; N795-K803 HydrophobicContact CB-CD 4.36Å; N795-K803 WeakPolarHBondContact OD1-CE 3.16Å; N795-K803 PolarHBondContact OD1-NZ 2.94Å; N795-F829 HydrophobicContact CB-CD1 3.77Å; N795-F829 HydrophobicContact CB-CE1 3.96Å
796	F	88.3	Confident	89.9	Confident	92 Å²	92	41.6 Å²	41.6	40%	0.404	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-43.7	179.7	179.6	-91.5	0	0	0	113	Y736 Q762 F763 M792 V793 L798	Y736-F796 HydrophobicContact CD2-CE1 4.22Å; Y736-F796 HydrophobicContact CE1-CE1 4.25Å; Y736-F796 HydrophobicContact CE2-CD1 4.3Å; Y736-F796 AromaticContact CE2-CE1 3.51Å; Y736-F796 HydrophobicContact CE2-CE1 3.51Å; Y736-F796 AromaticContact CE2-CZ 3.86Å; Y736-F796 HydrophobicContact CE2-CZ 3.86Å; Y736-F796 AromaticContact CZ-CE1 3.54Å; Q762-F796 HydrophobicContact CG-CE1 4.38Å; F763-F796 AromaticContact CE1-CD1 3.8Å; F763-F796 HydrophobicContact CE1-CD1 3.8Å; F763-F796 HydrophobicContact CE1-CE1 4.07Å; F763-F796 AromaticContact CZ-CD1 3.68Å; F763-F796 HydrophobicContact CZ-CD1 3.68Å; F763-F796 AromaticContact CZ-CE1 3.71Å; F763-F796 HydrophobicContact CZ-CE1 3.71Å; M792-F796 WeakPolarHBondContact O-CB 3.39Å; M792-F796 PolarHBondContact O-N 2.86Å; V793-F796 PolarHBondContact O-N 3.43Å; F796-L798 PolarHBondContact O-N 3.43Å
797	C	87.7	Confident	89.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.3	175.9	-69.6	0	0	0	0	113.8	S734 Y736 F737 F763 V793 L799	S734-C797 WeakPolarHBondContact CB-O 3.47Å; S734-C797 PolarHBondContact OG-O 2.86Å; Y736-C797 HydrophobicContact CD1-CB 4.33Å; F737-C797 HydrophobicContact CE2-CB 3.89Å; F737-C797 VanDerWaalsContact CE2-SG 3.59Å; F763-C797 WeakPolarHBondContact CZ-SG 3.48Å; V793-C797 VanDerWaalsContact O-CB 3.27Å; V793-C797 WeakPolarHBondContact O-CB 3.43Å; V793-C797 PolarHBondContact O-N 2.87Å; C797-L799 VanDerWaalsContact C-N 3.33Å; C797-L799 HydrophobicContact CB-CD1 3.99Å; C797-L799 HydrophobicContact CB-CG 4.04Å; C797-L799 PolarHBondContact O-N 3.14Å
798	L	83.9	Confident	89.7	Confident	76 Å²	76	43.8 Å²	43.8	40%	0.398	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	47.4	-179.8	-55.7	175.6	0	0	0	112.7	E735 A794 N795 F796 P800	E735-L798 HydrophobicContact CB-CD1 4.18Å; A794-L798 PolarHBondContact O-N 3.33Å; N795-L798 PolarHBondContact O-N 3.02Å; N795-L798 VanDerWaalsContact O-N 3.12Å; F796-L798 PolarHBondContact O-N 3.43Å; L798-P800 WeakPolarHBondContact O-CD 3.36Å
799	L	86.9	Confident	89.8	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.206	C	C	.	.			trans	-105.9	80.4	179	-67.8	175.3	0	0	0	110.7	K733 V771 V775 A794 C797 G801 L802 K803	K733-L799 HydrophobicContact CB-CD2 4.26Å; V771-L799 HydrophobicContact CG1-CD1 4.05Å; V771-L799 HydrophobicContact CG2-CD1 4.39Å; V775-L799 HydrophobicContact CG2-CD1 4.49Å; V775-L799 HydrophobicContact CG2-CD2 4.23Å; A794-L799 HydrophobicContact CB-CB 4.48Å; A794-L799 PolarHBondContact O-N 3Å; C797-L799 VanDerWaalsContact C-N 3.33Å; C797-L799 HydrophobicContact CB-CD1 3.99Å; C797-L799 HydrophobicContact CB-CG 4.04Å; C797-L799 PolarHBondContact O-N 3.14Å; L799-G801 PolarHBondContact O-N 3.16Å; L799-L802 HydrophobicContact CB-CB 4.12Å; L799-L802 HydrophobicContact CD1-CD2 4.24Å; L799-L802 PolarHBondContact O-N 3.49Å; L799-K803 WeakPolarHBondContact O-CB 3.41Å; L799-K803 PolarHBondContact O-N 3.4Å
800	P	80.7	Confident	89.9	Confident	96 Å²	96	37.4 Å²	37.4	62%	0.623	19%	0.189	S	C	*	.	H	α-helix	trans	-63.4	-25.9	-174.6	25.7	-35.5	0	0	0	113.6	L798 R804	L798-P800 WeakPolarHBondContact O-CD 3.36Å; P800-R804 VanDerWaalsContact O-CB 3.29Å; P800-R804 WeakPolarHBondContact O-CB 3.35Å; P800-R804 PolarHBondContact O-N 2.93Å; P800-R804 VanDerWaalsContact O-N 3.08Å
801	G	84.9	Confident	89.8	Confident	15 Å²	15	38.2 Å²	38.2	16%	0.155	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-52.9	174	0	0	0	0	0	112.2	L799 R804 Q805	L799-G801 PolarHBondContact O-N 3.16Å; G801-R804 WeakPolarHBondContact O-CB 3.44Å; G801-R804 PolarHBondContact O-N 2.77Å; G801-Q805 WeakPolarHBondContact O-CG 3.43Å; G801-Q805 PolarHBondContact O-N 3.19Å
802	L	90.6	Very high	89.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-42.2	179.5	-172.7	57.7	0	0	0	111.6	V771 H774 V780 L782 V790 A794 L799 R804 Q805 C806	V771-L802 HydrophobicContact CG2-CD2 4.47Å; H774-L802 HydrophobicContact CB-CB 4.34Å; H774-L802 HydrophobicContact CB-CD1 4.28Å; H774-L802 HydrophobicContact CB-CD2 4.18Å; H774-L802 PolarHBondContact CE1-N 3.37Å; H774-L802 PolarHBondContact NE2-N 2.85Å; V780-L802 HydrophobicContact CB-CD1 4.32Å; V780-L802 HydrophobicContact CG1-CD1 4.21Å; V780-L802 HydrophobicContact CG2-CD1 4.14Å; L782-L802 HydrophobicContact CD1-CD1 4.48Å; L782-L802 HydrophobicContact CD2-CD1 4.15Å; V790-L802 HydrophobicContact CG1-CD1 4.02Å; V790-L802 HydrophobicContact CG1-CD2 3.91Å; V790-L802 HydrophobicContact CG1-CG 3.95Å; A794-L802 HydrophobicContact CB-CB 3.85Å; A794-L802 HydrophobicContact CB-CD2 3.93Å; A794-L802 HydrophobicContact CB-CG 3.77Å; L799-L802 HydrophobicContact CB-CB 4.12Å; L799-L802 HydrophobicContact CD1-CD2 4.24Å; L799-L802 PolarHBondContact O-N 3.49Å; L802-R804 VanDerWaalsContact C-N 3.27Å; L802-R804 PolarHBondContact O-N 3.12Å; L802-Q805 WeakPolarHBondContact O-CA 3.41Å; L802-Q805 WeakPolarHBondContact O-CB 3.44Å; L802-Q805 PolarHBondContact O-N 3.05Å; L802-C806 PolarHBondContact O-N 3.38Å; L802-C806 PolarHBondContact O-SG 3.18Å
803	K	88.1	Confident	90	Very high	36 Å²	36	44.7 Å²	44.7	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-40.9	173.8	173	172.2	177	178.2	0	111.8	L791 A794 N795 L799 G807 F829 L831	L791-K803 HydrophobicContact CD1-CB 4.43Å; L791-K803 HydrophobicContact CD1-CG 3.86Å; A794-K803 HydrophobicContact CB-CB 4Å; N795-K803 HydrophobicContact CB-CD 4.36Å; N795-K803 WeakPolarHBondContact OD1-CE 3.16Å; N795-K803 PolarHBondContact OD1-NZ 2.94Å; L799-K803 WeakPolarHBondContact O-CB 3.41Å; L799-K803 PolarHBondContact O-N 3.4Å; K803-G807 PolarHBondContact O-N 3.14Å; K803-G807 VanDerWaalsContact O-N 3.16Å; K803-F829 WeakPolarHBondContact CE-O 3.5Å; K803-F829 PolarHBondContact NZ-O 3.38Å; K803-L831 HydrophobicContact CG-CD2 3.82Å
804	R	87.1	Confident	90.2	Very high	147 Å²	147	45.5 Å²	45.5	56%	0.555	23%	0.228	S	C	*	.	H	α-helix	trans	-71.1	-34.6	173.7	-175.1	-178.5	67.3	-152.7	-0.1	112.9	P800 G801 L802 L808	P800-R804 VanDerWaalsContact O-CB 3.29Å; P800-R804 WeakPolarHBondContact O-CB 3.35Å; P800-R804 PolarHBondContact O-N 2.93Å; P800-R804 VanDerWaalsContact O-N 3.08Å; G801-R804 WeakPolarHBondContact O-CB 3.44Å; G801-R804 PolarHBondContact O-N 2.77Å; L802-R804 VanDerWaalsContact C-N 3.27Å; L802-R804 PolarHBondContact O-N 3.12Å; R804-L808 HydrophobicContact CG-CD1 4.28Å; R804-L808 WeakPolarHBondContact O-CB 3.41Å; R804-L808 VanDerWaalsContact O-CG 3.29Å; R804-L808 WeakPolarHBondContact O-CG 3.39Å; R804-L808 PolarHBondContact O-N 3.12Å
805	Q	90.2	Very high	90.5	Very high	49 Å²	49	48.8 Å²	48.8	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-42.1	174.6	-74	168.1	-58.8	0	0	111.4	H774 E778 L782 G801 L802 L808 L809	H774-Q805 PolarHBondContact CE1-OE1 3.39Å; H774-Q805 PolarHBondContact ND1-OE1 3.27Å; E778-Q805 PolarHBondContact O-NE2 3.28Å; L782-Q805 HydrophobicContact CD1-CB 3.8Å; G801-Q805 WeakPolarHBondContact O-CG 3.43Å; G801-Q805 PolarHBondContact O-N 3.19Å; L802-Q805 WeakPolarHBondContact O-CA 3.41Å; L802-Q805 WeakPolarHBondContact O-CB 3.44Å; L802-Q805 PolarHBondContact O-N 3.05Å; Q805-L808 PolarHBondContact O-N 2.79Å; Q805-L809 PolarHBondContact O-N 2.82Å
806	C	94	Very high	90.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-51.3	173.9	-58.3	0	0	0	0	111.2	V787 L791 L802 L808 L809 M810	V787-C806 HydrophobicContact CG2-CB 3.8Å; L791-C806 HydrophobicContact CB-CB 3.85Å; L791-C806 HydrophobicContact CD1-CB 4.16Å; L791-C806 HydrophobicContact CG-CB 4.45Å; L802-C806 PolarHBondContact O-N 3.38Å; L802-C806 PolarHBondContact O-SG 3.18Å; C806-L808 PolarHBondContact O-N 3.35Å; C806-L809 PolarHBondContact O-N 3.48Å; C806-M810 WeakPolarHBondContact O-CG 3.2Å; C806-M810 PolarHBondContact O-N 3.46Å
807	G	90.8	Very high	91.2	Very high	7 Å²	7	51 Å²	51	7%	0.072	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-29.4	178.5	0	0	0	0	0	114.4	K803 A811	K803-G807 PolarHBondContact O-N 3.14Å; K803-G807 VanDerWaalsContact O-N 3.16Å; G807-A811 VanDerWaalsContact O-CB 3.29Å; G807-A811 WeakPolarHBondContact O-CB 3.43Å; G807-A811 PolarHBondContact O-N 3.28Å; G807-A811 VanDerWaalsContact O-N 3.13Å
808	L	90.9	Very high	91.5	Very high	78 Å²	78	53.3 Å²	53.3	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-73	-38.1	172.5	-75.6	168.6	0	0	0	112.5	R804 Q805 C806 A811 Q812	R804-L808 HydrophobicContact CG-CD1 4.28Å; R804-L808 WeakPolarHBondContact O-CB 3.41Å; R804-L808 VanDerWaalsContact O-CG 3.29Å; R804-L808 WeakPolarHBondContact O-CG 3.39Å; R804-L808 PolarHBondContact O-N 3.12Å; Q805-L808 PolarHBondContact O-N 2.79Å; C806-L808 PolarHBondContact O-N 3.35Å; L808-A811 PolarHBondContact O-N 2.87Å; L808-Q812 VanDerWaalsContact O-CG 3.31Å; L808-Q812 WeakPolarHBondContact O-CG 3.39Å; L808-Q812 PolarHBondContact O-N 3.49Å; L808-Q812 VanDerWaalsContact O-N 3.13Å
809	L	95.2	Very high	92.1	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-45.1	175.8	-176.9	67.2	0	0	0	111.1	L782 V784 V787 Q805 C806 A811 Q812 H813	L782-L809 HydrophobicContact CB-CD2 3.71Å; L782-L809 WeakPolarHBondContact O-CD2 3.46Å; V784-L809 HydrophobicContact CG2-CD1 4.22Å; V784-L809 HydrophobicContact CG2-CD2 4.15Å; V784-L809 HydrophobicContact CG2-CG 4.28Å; V787-L809 HydrophobicContact CB-CD2 4.27Å; V787-L809 HydrophobicContact CG2-CB 4.31Å; V787-L809 HydrophobicContact CG2-CD2 4Å; Q805-L809 PolarHBondContact O-N 2.82Å; C806-L809 PolarHBondContact O-N 3.48Å; L809-A811 VanDerWaalsContact C-N 3.28Å; L809-A811 PolarHBondContact O-N 2.97Å; L809-Q812 WeakPolarHBondContact O-CB 3.39Å; L809-Q812 PolarHBondContact O-N 2.82Å; L809-H813 PolarHBondContact O-CD2 3.22Å; L809-H813 PolarHBondContact O-N 3Å
810	M	96.4	Very high	92.6	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-56.6	-44.5	174	-64.1	173.6	90.7	0	0	110.8	V787 D788 L791 C806 Q812 H813 L814 A825 L834	V787-M810 HydrophobicContact CB-CG 4.5Å; V787-M810 HydrophobicContact CG1-CG 3.82Å; V787-M810 HydrophobicContact CG1-SD 4.49Å; V787-M810 HydrophobicContact CG2-CG 3.82Å; V787-M810 HydrophobicContact CG2-SD 4.46Å; D788-M810 WeakPolarHBondContact OD1-CE 3.42Å; L791-M810 HydrophobicContact CD2-CE 4.44Å; L791-M810 HydrophobicContact CD2-SD 3.68Å; C806-M810 WeakPolarHBondContact O-CG 3.2Å; C806-M810 PolarHBondContact O-N 3.46Å; M810-Q812 PolarHBondContact O-N 3.34Å; M810-H813 CarbonylContact O-C 3.58Å; M810-H813 PolarHBondContact O-N 3.49Å; M810-H813 VanDerWaalsContact O-N 3.12Å; M810-L814 PolarHBondContact O-N 2.92Å; M810-A825 HydrophobicContact CE-CB 4Å; M810-L834 HydrophobicContact CB-CD1 3.97Å; M810-L834 HydrophobicContact CB-CD2 3.94Å; M810-L834 HydrophobicContact CE-CD2 4.44Å; M810-L834 HydrophobicContact SD-CD2 3.89Å
811	A	93.8	Very high	93.3	Very high	17 Å²	17	48.1 Å²	48.1	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-20.8	177.8	0	0	0	0	0	114.6	G807 L808 L809 L834 Q837	G807-A811 VanDerWaalsContact O-CB 3.29Å; G807-A811 WeakPolarHBondContact O-CB 3.43Å; G807-A811 PolarHBondContact O-N 3.28Å; G807-A811 VanDerWaalsContact O-N 3.13Å; L808-A811 PolarHBondContact O-N 2.87Å; L809-A811 VanDerWaalsContact C-N 3.28Å; L809-A811 PolarHBondContact O-N 2.97Å; A811-L834 HydrophobicContact CB-CD1 3.74Å; A811-Q837 HydrophobicContact CB-CB 4.48Å
812	Q	95.1	Very high	93.8	Very high	145 Å²	145	47.7 Å²	47.7	68%	0.678	24%	0.242	S	C	*	.	H	α-helix	trans	-85.8	-13.4	175.4	-76.8	174.8	-27	0	0	113.2	L808 L809 M810	L808-Q812 VanDerWaalsContact O-CG 3.31Å; L808-Q812 WeakPolarHBondContact O-CG 3.39Å; L808-Q812 PolarHBondContact O-N 3.49Å; L808-Q812 VanDerWaalsContact O-N 3.13Å; L809-Q812 WeakPolarHBondContact O-CB 3.39Å; L809-Q812 PolarHBondContact O-N 2.82Å; M810-Q812 PolarHBondContact O-N 3.34Å
813	H	95.9	Very high	94.1	Very high	93 Å²	93	47.7 Å²	47.7	43%	0.431	24%	0.242	S	C	.	.	S	Bend	trans	-125.6	28.8	-178.3	-65.5	-67.2	0	0	0	111.8	V784 L809 M810 D815 N818	V784-H813 VanDerWaalsContact CG2-CD2 3.5Å; V784-H813 WeakPolarHBondContact CG2-CD2 3.23Å; L809-H813 PolarHBondContact O-CD2 3.22Å; L809-H813 PolarHBondContact O-N 3Å; M810-H813 CarbonylContact O-C 3.58Å; M810-H813 PolarHBondContact O-N 3.49Å; M810-H813 VanDerWaalsContact O-N 3.12Å; H813-D815 PolarHBondContact O-N 2.86Å; H813-N818 PolarHBondContact O-ND2 2.79Å
814	L	96.7	Very high	94.4	Very high	26 Å²	26	49.8 Å²	49.8	14%	0.136	25%	0.249	C	C	.	.			trans	-66.1	131.7	170.8	-68.1	177.3	0	0	0	110.2	M810 V819 A822 L834 Q837 F841	M810-L814 PolarHBondContact O-N 2.92Å; L814-V819 HydrophobicContact CD2-CG2 4.38Å; L814-A822 HydrophobicContact CD2-CB 3.53Å; L814-L834 HydrophobicContact CD2-CD1 4.3Å; L814-Q837 HydrophobicContact CD1-CB 4.33Å; L814-F841 HydrophobicContact CB-CD2 3.83Å; L814-F841 HydrophobicContact CB-CE2 4.14Å; L814-F841 HydrophobicContact CB-CG 4.17Å; L814-F841 HydrophobicContact CD1-CB 4.15Å; L814-F841 HydrophobicContact CD1-CG 4.5Å; L814-F841 WeakPolarHBondContact O-CE2 3.31Å
815	D	95.9	Very high	94.7	Very high	70 Å²	70	43.3 Å²	43.3	37%	0.374	23%	0.227	S	C	.	.			trans	-137.1	171.5	170.4	65.8	48.9	0	0	0	109.8	H813 Q817 N818 V819	H813-D815 PolarHBondContact O-N 2.86Å; D815-Q817 PolarHBondContact O-N 2.93Å; D815-Q817 WeakPolarHBondContact OD1-CA 3.45Å; D815-Q817 WeakPolarHBondContact OD1-CB 3.44Å; D815-Q817 PolarHBondContact OD1-N 2.92Å; D815-N818 PolarHBondContact N-ND2 3.28Å; D815-N818 PolarHBondContact N-OD1 1.86Å; D815-N818 PolarHBondContact O-N 2.72Å; D815-N818 WeakPolarHBondContact OD1-CB 3.49Å; D815-N818 PolarHBondContact OD1-N 3.41Å; D815-N818 PolarHBondContact OD1-ND2 3.2Å; D815-N818 PolarHBondContact OD2-ND2 3.09Å; D815-V819 WeakPolarHBondContact O-CB 3.41Å; D815-V819 PolarHBondContact O-N 2.81Å
816	T	95.8	Very high	94.7	Very high	25 Å²	25	41 Å²	41	15%	0.153	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.9	-175.4	45.8	0	0	0	0	113.3	F841 H845 E848 V849	T816-F841 HydrophobicContact CG2-CE1 3.81Å; T816-F841 HydrophobicContact CG2-CZ 4.12Å; T816-H845 HydrophobicContact CG2-CB 4.1Å; T816-E848 HydrophobicContact CG2-CB 3.73Å; T816-E848 HydrophobicContact CG2-CG 4.49Å; T816-E848 WeakPolarHBondContact CG2-OE2 3.14Å; T816-E848 PolarHBondContact OG1-OE2 2.83Å; T816-V849 HydrophobicContact CG2-CG2 3.94Å
817	Q	93.6	Very high	94.5	Very high	150 Å²	150	43.6 Å²	43.6	70%	0.701	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-31.8	177.2	-58.3	179.3	7.1	0	0	112.2	D815	D815-Q817 PolarHBondContact O-N 2.93Å; D815-Q817 WeakPolarHBondContact OD1-CA 3.45Å; D815-Q817 WeakPolarHBondContact OD1-CB 3.44Å; D815-Q817 PolarHBondContact OD1-N 2.92Å
818	N	94.8	Very high	94.4	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-20.4	-172.5	85.5	46.4	0	0	0	114.8	H813 D815 C820 A821 A822	H813-N818 PolarHBondContact O-ND2 2.79Å; D815-N818 PolarHBondContact N-ND2 3.28Å; D815-N818 PolarHBondContact N-OD1 1.86Å; D815-N818 PolarHBondContact O-N 2.72Å; D815-N818 WeakPolarHBondContact OD1-CB 3.49Å; D815-N818 PolarHBondContact OD1-N 3.41Å; D815-N818 PolarHBondContact OD1-ND2 3.2Å; D815-N818 PolarHBondContact OD2-ND2 3.09Å; N818-C820 PolarHBondContact O-N 2.97Å; N818-C820 VanDerWaalsContact O-N 3.13Å; N818-A821 WeakPolarHBondContact O-CA 3.31Å; N818-A821 WeakPolarHBondContact O-CB 3.16Å; N818-A821 PolarHBondContact O-N 3.41Å; N818-A822 PolarHBondContact O-N 3.36Å
819	V	97.2	Very high	93.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-35.3	-172.6	65.7	0	0	0	0	113.3	L814 D815 A822 L823 C838 F841 M842 V849	L814-V819 HydrophobicContact CD2-CG2 4.38Å; D815-V819 WeakPolarHBondContact O-CB 3.41Å; D815-V819 PolarHBondContact O-N 2.81Å; V819-A822 PolarHBondContact O-N 3.35Å; V819-L823 WeakPolarHBondContact O-CB 3.42Å; V819-L823 PolarHBondContact O-N 3.36Å; V819-C838 HydrophobicContact CG2-CB 3.79Å; V819-F841 HydrophobicContact CB-CD1 3.92Å; V819-F841 HydrophobicContact CB-CE1 4.32Å; V819-F841 HydrophobicContact CG1-CD1 4.09Å; V819-F841 HydrophobicContact CG1-CE1 4.31Å; V819-F841 HydrophobicContact CG2-CB 4.2Å; V819-F841 HydrophobicContact CG2-CD1 3.82Å; V819-F841 HydrophobicContact CG2-CG 4.29Å; V819-M842 HydrophobicContact CG1-CE 4.03Å; V819-M842 HydrophobicContact CG1-CG 4.11Å; V819-M842 HydrophobicContact CG2-CE 4.11Å; V819-M842 HydrophobicContact CG2-CG 3.81Å; V819-V849 HydrophobicContact CG1-CG1 4.47Å; V819-V849 HydrophobicContact CG1-CG2 4.13Å
820	C	96.6	Very high	93.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-40.1	174.7	-68	0	0	0	0	112.9	N818 R824 M842 S854 M858	N818-C820 PolarHBondContact O-N 2.97Å; N818-C820 VanDerWaalsContact O-N 3.13Å; C820-R824 VanDerWaalsContact O-CG 3.28Å; C820-R824 WeakPolarHBondContact O-CG 3.17Å; C820-R824 PolarHBondContact O-N 3.47Å; C820-R824 VanDerWaalsContact O-N 3.11Å; C820-M842 HydrophobicContact CB-CE 4.41Å; C820-M842 VanDerWaalsContact SG-CE 3.52Å; C820-S854 WeakPolarHBondContact CB-OG 3.38Å; C820-S854 PolarHBondContact SG-OG 3.41Å; C820-S854 VanDerWaalsContact SG-OG 3.4Å; C820-M858 HydrophobicContact CB-CE 3.78Å; C820-M858 VanDerWaalsContact O-CE 3.28Å; C820-M858 WeakPolarHBondContact O-CE 3.39Å
821	A	95.1	Very high	92.3	Very high	65 Å²	65	47.2 Å²	47.2	54%	0.537	24%	0.24	S	C	.	.	H	α-helix	trans	-69.9	-42.7	175.1	0	0	0	0	0	111.1	N818 L823 R824 A825	N818-A821 WeakPolarHBondContact O-CA 3.31Å; N818-A821 WeakPolarHBondContact O-CB 3.16Å; N818-A821 PolarHBondContact O-N 3.41Å; A821-L823 VanDerWaalsContact C-N 3.34Å; A821-L823 PolarHBondContact O-N 3.47Å; A821-R824 PolarHBondContact O-N 3.08Å; A821-A825 WeakPolarHBondContact O-CB 3.26Å; A821-A825 PolarHBondContact O-N 3.47Å
822	A	96	Very high	91.8	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-39.1	176.2	0	0	0	0	0	112.3	L814 N818 V819 A825 A826	L814-A822 HydrophobicContact CD2-CB 3.53Å; N818-A822 PolarHBondContact O-N 3.36Å; V819-A822 PolarHBondContact O-N 3.35Å; A822-A825 PolarHBondContact O-N 3.05Å; A822-A826 VanDerWaalsContact O-CB 3.29Å; A822-A826 WeakPolarHBondContact O-CB 3.38Å; A822-A826 PolarHBondContact O-N 3.43Å
823	L	96.8	Very high	91.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-42.6	174.8	178.4	54	0	0	0	112.2	V819 A821 A825 A826 R827 E835 C838 Y839 M842 M858 V877	V819-L823 WeakPolarHBondContact O-CB 3.42Å; V819-L823 PolarHBondContact O-N 3.36Å; A821-L823 VanDerWaalsContact C-N 3.34Å; A821-L823 PolarHBondContact O-N 3.47Å; L823-A825 VanDerWaalsContact C-N 3.33Å; L823-A825 PolarHBondContact O-N 2.96Å; L823-A826 PolarHBondContact O-N 3.28Å; L823-A826 VanDerWaalsContact O-N 3.16Å; L823-R827 HydrophobicContact CD1-CG 4.24Å; L823-R827 PolarHBondContact O-N 3.43Å; L823-E835 HydrophobicContact CD1-CB 4.43Å; L823-E835 HydrophobicContact CD1-CG 4.01Å; L823-C838 HydrophobicContact CB-CB 3.83Å; L823-C838 HydrophobicContact CD1-CB 4.18Å; L823-C838 HydrophobicContact CG-CB 4.39Å; L823-Y839 HydrophobicContact CD1-CD1 4.26Å; L823-Y839 HydrophobicContact CD1-CE1 3.75Å; L823-Y839 HydrophobicContact CD1-CE2 4.48Å; L823-Y839 HydrophobicContact CD2-CD1 3.86Å; L823-Y839 HydrophobicContact CD2-CE1 3.56Å; L823-Y839 HydrophobicContact CG-CE1 4.29Å; L823-M842 HydrophobicContact CB-CE 4.5Å; L823-M842 HydrophobicContact CD2-CE 3.79Å; L823-M842 HydrophobicContact CD2-SD 3.78Å; L823-M858 HydrophobicContact CB-CE 4.32Å; L823-M858 HydrophobicContact CD2-CE 4.12Å; L823-M858 HydrophobicContact CD2-SD 3.5Å; L823-M858 WeakPolarHBondContact CD2-SD 3.39Å; L823-M858 HydrophobicContact CG-CE 4.37Å; L823-M858 HydrophobicContact CG-SD 4.01Å; L823-V877 HydrophobicContact CD2-CG2 4.27Å
824	R	94.7	Very high	90.9	Very high	80 Å²	80	49.8 Å²	49.8	30%	0.302	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-43.7	173.1	-72.2	168.2	-177.9	-90.4	11.2	111.2	C820 A821 L828 M858 E861	C820-R824 VanDerWaalsContact O-CG 3.28Å; C820-R824 WeakPolarHBondContact O-CG 3.17Å; C820-R824 PolarHBondContact O-N 3.47Å; C820-R824 VanDerWaalsContact O-N 3.11Å; A821-R824 PolarHBondContact O-N 3.08Å; R824-L828 VanDerWaalsContact O-CB 3.27Å; R824-L828 WeakPolarHBondContact O-CB 3.11Å; R824-L828 PolarHBondContact O-N 3.04Å; R824-M858 HydrophobicContact CG-CE 3.95Å; R824-E861 IonicContact CZ-OE1 2.83Å; R824-E861 IonicContact CZ-OE2 3.28Å; R824-E861 IonicContact NH1-OE1 2.81Å; R824-E861 PolarHBondContact NH1-OE1 2.98Å; R824-E861 IonicContact NH1-OE2 3.9Å; R824-E861 PolarHBondContact NH1-OE2 3.08Å; R824-E861 IonicContact NH2-OE1 3.99Å; R824-E861 PolarHBondContact NH2-OE1 3.35Å
825	A	92.7	Very high	90.6	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-42.1	173.1	0	0	0	0	0	112	M810 A821 A822 L823 L828 F829	M810-A825 HydrophobicContact CE-CB 4Å; A821-A825 WeakPolarHBondContact O-CB 3.26Å; A821-A825 PolarHBondContact O-N 3.47Å; A822-A825 PolarHBondContact O-N 3.05Å; L823-A825 VanDerWaalsContact C-N 3.33Å; L823-A825 PolarHBondContact O-N 2.96Å; A825-L828 PolarHBondContact O-N 2.63Å; A825-F829 HydrophobicContact CB-CD2 4.34Å; A825-F829 WeakPolarHBondContact O-CB 3.29Å; A825-F829 WeakPolarHBondContact O-CD2 3.4Å; A825-F829 PolarHBondContact O-N 3.37Å
826	A	91.8	Very high	90.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-46	179.5	0	0	0	0	0	112.2	A822 L823 F829 Q830 L831 L834 E835	A822-A826 VanDerWaalsContact O-CB 3.29Å; A822-A826 WeakPolarHBondContact O-CB 3.38Å; A822-A826 PolarHBondContact O-N 3.43Å; L823-A826 PolarHBondContact O-N 3.28Å; L823-A826 VanDerWaalsContact O-N 3.16Å; A826-F829 CarbonylContact O-C 3.52Å; A826-Q830 CarbonylContact O-C 3.59Å; A826-Q830 VanDerWaalsContact O-CA 3.31Å; A826-Q830 WeakPolarHBondContact O-CA 3.46Å; A826-Q830 PolarHBondContact O-N 3.48Å; A826-L831 HydrophobicContact CB-CB 4.22Å; A826-L831 PolarHBondContact O-N 3.39Å; A826-L834 HydrophobicContact CB-CB 4.07Å; A826-L834 HydrophobicContact CB-CD2 3.91Å; A826-L834 HydrophobicContact CB-CG 3.86Å; A826-E835 HydrophobicContact CB-CB 3.87Å
827	R	89.6	Confident	90.1	Very high	54 Å²	54	53.7 Å²	53.7	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-49.1	173.8	-76.7	168.3	164.6	-169.7	-7.5	111.8	L823 F829 Q830 E835 Y839 D862 E876	L823-R827 HydrophobicContact CD1-CG 4.24Å; L823-R827 PolarHBondContact O-N 3.43Å; R827-F829 VanDerWaalsContact C-N 3.32Å; R827-F829 PolarHBondContact O-N 3.18Å; R827-Q830 PolarHBondContact O-N 3.47Å; R827-E835 WeakPolarHBondContact CG-OE1 3.46Å; R827-Y839 PolarHBondContact NE-OH 3.46Å; R827-Y839 VanDerWaalsContact NE-OH 3.08Å; R827-Y839 PolarHBondContact NH2-OH 3.08Å; R827-D862 IonicContact CZ-OD1 2.76Å; R827-D862 IonicContact CZ-OD2 3.22Å; R827-D862 VanDerWaalsContact CZ-OD2 3.32Å; R827-D862 VanDerWaalsContact NH1-CG 3.26Å; R827-D862 IonicContact NH1-OD1 3.02Å; R827-D862 PolarHBondContact NH1-OD1 3.3Å; R827-D862 IonicContact NH1-OD2 3.84Å; R827-D862 PolarHBondContact NH1-OD2 3.26Å; R827-D862 IonicContact NH2-OD1 2.8Å; R827-D862 IonicContact NH2-OD2 2.83Å; R827-D862 PolarHBondContact NH2-OD2 3.07Å; R827-E876 IonicContact CZ-OE1 2.79Å; R827-E876 IonicContact NE-OE1 3.23Å; R827-E876 PolarHBondContact NE-OE1 3.45Å; R827-E876 IonicContact NH2-OE1 3.85Å; R827-E876 PolarHBondContact NH2-OE1 2.7Å
828	L	87	Confident	90.3	Very high	73 Å²	73	46.5 Å²	46.5	38%	0.382	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-42.4	179.4	177.6	62.7	0	0	0	112.5	L21 N28 R824 A825	L21-L828 HydrophobicContact CD2-CD1 4.23Å; N28-L828 PolarHBondContact ND2-O 3.1Å; R824-L828 VanDerWaalsContact O-CB 3.27Å; R824-L828 WeakPolarHBondContact O-CB 3.11Å; R824-L828 PolarHBondContact O-N 3.04Å; A825-L828 PolarHBondContact O-N 2.63Å
829	F	80.2	Confident	90.3	Very high	29 Å²	29	44.7 Å²	44.7	13%	0.127	21%	0.214	C	C	.	.	H	α-helix	trans	-97.7	6.2	-178	-62.5	-62.3	0	0	0	114	L791 M792 N795 K803 A825 A826 R827 L831	L791-F829 HydrophobicContact CD1-CB 4.4Å; L791-F829 HydrophobicContact CD1-CD2 4.27Å; L791-F829 HydrophobicContact CD1-CG 4.29Å; L791-F829 HydrophobicContact CD2-CD2 3.49Å; L791-F829 VanDerWaalsContact CD2-CD2 3.49Å; L791-F829 HydrophobicContact CD2-CE2 3.86Å; L791-F829 HydrophobicContact CD2-CG 4.29Å; L791-F829 HydrophobicContact CG-CD2 3.64Å; L791-F829 HydrophobicContact CG-CE2 3.82Å; L791-F829 HydrophobicContact CG-CG 4.11Å; L791-F829 HydrophobicContact CG-CZ 4.43Å; M792-F829 HydrophobicContact CB-CZ 4.24Å; N795-F829 HydrophobicContact CB-CD1 3.77Å; N795-F829 HydrophobicContact CB-CE1 3.96Å; K803-F829 WeakPolarHBondContact CE-O 3.5Å; K803-F829 PolarHBondContact NZ-O 3.38Å; A825-F829 HydrophobicContact CB-CD2 4.34Å; A825-F829 WeakPolarHBondContact O-CB 3.29Å; A825-F829 WeakPolarHBondContact O-CD2 3.4Å; A825-F829 PolarHBondContact O-N 3.37Å; A826-F829 CarbonylContact O-C 3.52Å; R827-F829 VanDerWaalsContact C-N 3.32Å; R827-F829 PolarHBondContact O-N 3.18Å; F829-L831 VanDerWaalsContact C-N 3.33Å; F829-L831 HydrophobicContact CB-CD1 4.41Å; F829-L831 HydrophobicContact CB-CG 4.18Å; F829-L831 PolarHBondContact O-N 2.96Å
830	Q	80.2	Confident	90.2	Very high	79 Å²	79	49.8 Å²	49.8	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.5	-176.8	-61.1	173	-32.4	0	0	113.7	N28 A826 R827 H832	N28-Q830 PolarHBondContact O-NE2 2.93Å; N28-Q830 PolarHBondContact O-OE1 3.24Å; A826-Q830 CarbonylContact O-C 3.59Å; A826-Q830 VanDerWaalsContact O-CA 3.31Å; A826-Q830 WeakPolarHBondContact O-CA 3.46Å; A826-Q830 PolarHBondContact O-N 3.48Å; R827-Q830 PolarHBondContact O-N 3.47Å; Q830-H832 VanDerWaalsContact C-N 3.32Å; Q830-H832 PolarHBondContact O-N 3.08Å
831	L	79.5	Confident	90.2	Very high	20 Å²	20	51.3 Å²	51.3	11%	0.105	24%	0.243	C	C	.	.			trans	-89.4	63.7	174.9	-64.4	173.9	0	0	0	110.6	L791 K803 A826 F829 R833 L834 E835	L791-L831 HydrophobicContact CD1-CD1 3.92Å; L791-L831 HydrophobicContact CD2-CD1 3.81Å; K803-L831 HydrophobicContact CG-CD2 3.82Å; A826-L831 HydrophobicContact CB-CB 4.22Å; A826-L831 PolarHBondContact O-N 3.39Å; F829-L831 VanDerWaalsContact C-N 3.33Å; F829-L831 HydrophobicContact CB-CD1 4.41Å; F829-L831 HydrophobicContact CB-CG 4.18Å; F829-L831 PolarHBondContact O-N 2.96Å; L831-R833 CarbonylContact O-C 3.57Å; L831-R833 PolarHBondContact O-N 3.47Å; L831-L834 HydrophobicContact CB-CB 3.95Å; L831-L834 HydrophobicContact CD1-CD2 3.91Å; L831-L834 WeakPolarHBondContact O-CA 3.43Å; L831-L834 PolarHBondContact O-N 3.42Å; L831-E835 PolarHBondContact O-N 3.4Å
832	H	82.9	Confident	90.3	Very high	115 Å²	115	48.2 Å²	48.2	53%	0.532	22%	0.217	S	C	.	.	H	α-helix	trans	-51	-22.6	-173.7	-59.7	-49.8	0	0	0	116.1	Q830 E835 N836	Q830-H832 VanDerWaalsContact C-N 3.32Å; Q830-H832 PolarHBondContact O-N 3.08Å; H832-E835 WeakPolarHBondContact CA-OE2 3.14Å; H832-E835 IonicContact CE1-OE2 3.99Å; H832-E835 IonicContact CG-OE2 2.8Å; H832-E835 IonicContact ND1-OE2 2.77Å; H832-E835 PolarHBondContact ND1-OE2 3.41Å; H832-N836 WeakPolarHBondContact O-CB 3.48Å; H832-N836 VanDerWaalsContact O-CG 3.22Å; H832-N836 PolarHBondContact O-N 3.07Å; H832-N836 PolarHBondContact O-OD1 2.84Å
833	R	81.1	Confident	90.3	Very high	192 Å²	192	48.1 Å²	48.1	73%	0.725	22%	0.216	S	C	*	.	H	α-helix	trans	-74	-48.6	171	-69.6	-172.3	176.8	-157.7	-3.9	112.7	L831 E835 N836 Q837	L831-R833 CarbonylContact O-C 3.57Å; L831-R833 PolarHBondContact O-N 3.47Å; R833-E835 VanDerWaalsContact C-N 3.32Å; R833-N836 PolarHBondContact O-N 2.88Å; R833-Q837 WeakPolarHBondContact O-CB 3.49Å; R833-Q837 WeakPolarHBondContact O-CG 3.27Å; R833-Q837 PolarHBondContact O-N 3.46Å; R833-Q837 PolarHBondContact O-OE1 3.06Å
834	L	90.7	Very high	90.2	Very high	2 Å²	2	52 Å²	52	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-42.5	174.9	175.9	63.7	0	0	0	110.3	M810 A811 L814 A826 L831 N836 Q837 C838	M810-L834 HydrophobicContact CB-CD1 3.97Å; M810-L834 HydrophobicContact CB-CD2 3.94Å; M810-L834 HydrophobicContact CE-CD2 4.44Å; M810-L834 HydrophobicContact SD-CD2 3.89Å; A811-L834 HydrophobicContact CB-CD1 3.74Å; L814-L834 HydrophobicContact CD2-CD1 4.3Å; A826-L834 HydrophobicContact CB-CB 4.07Å; A826-L834 HydrophobicContact CB-CD2 3.91Å; A826-L834 HydrophobicContact CB-CG 3.86Å; L831-L834 HydrophobicContact CB-CB 3.95Å; L831-L834 HydrophobicContact CD1-CD2 3.91Å; L831-L834 WeakPolarHBondContact O-CA 3.43Å; L831-L834 PolarHBondContact O-N 3.42Å; L834-N836 PolarHBondContact O-N 3.38Å; L834-Q837 CarbonylContact O-C 3.52Å; L834-Q837 WeakPolarHBondContact O-CA 3.31Å; L834-Q837 PolarHBondContact O-N 3.09Å; L834-Q837 VanDerWaalsContact O-N 3.09Å; L834-C838 PolarHBondContact O-N 3.39Å; L834-C838 PolarHBondContact O-SG 3.08Å
835	E	91.3	Very high	90.2	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-53.5	-54	175	177.8	168.3	-136	0	0	112	L823 A826 R827 L831 H832 R833 Q837 C838 Y839	L823-E835 HydrophobicContact CD1-CB 4.43Å; L823-E835 HydrophobicContact CD1-CG 4.01Å; A826-E835 HydrophobicContact CB-CB 3.87Å; R827-E835 WeakPolarHBondContact CG-OE1 3.46Å; L831-E835 PolarHBondContact O-N 3.4Å; H832-E835 WeakPolarHBondContact CA-OE2 3.14Å; H832-E835 IonicContact CE1-OE2 3.99Å; H832-E835 IonicContact CG-OE2 2.8Å; H832-E835 IonicContact ND1-OE2 2.77Å; H832-E835 PolarHBondContact ND1-OE2 3.41Å; R833-E835 VanDerWaalsContact C-N 3.32Å; E835-Q837 VanDerWaalsContact C-N 3.29Å; E835-Q837 PolarHBondContact O-N 3.36Å; E835-C838 PolarHBondContact O-N 2.86Å; E835-Y839 HydrophobicContact CG-CD2 4.19Å; E835-Y839 HydrophobicContact CG-CE2 3.49Å; E835-Y839 VanDerWaalsContact CG-CE2 3.49Å; E835-Y839 VanDerWaalsContact O-CD2 3.31Å; E835-Y839 WeakPolarHBondContact O-CD2 3.31Å; E835-Y839 PolarHBondContact O-N 3.37Å
836	N	88	Confident	90.3	Very high	102 Å²	102	51 Å²	51	55%	0.545	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-33.5	175.1	-70.9	2.6	0	0	0	113.1	H832 R833 L834 K840	H832-N836 WeakPolarHBondContact O-CB 3.48Å; H832-N836 VanDerWaalsContact O-CG 3.22Å; H832-N836 PolarHBondContact O-N 3.07Å; H832-N836 PolarHBondContact O-OD1 2.84Å; R833-N836 PolarHBondContact O-N 2.88Å; L834-N836 PolarHBondContact O-N 3.38Å; N836-K840 PolarHBondContact O-N 3.2Å
837	Q	92.7	Very high	90.5	Very high	81 Å²	81	55.6 Å²	55.6	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-70.9	-34.8	176.2	-71.8	174.2	-92.7	0	0	111.9	A811 L814 R833 L834 E835 F841	A811-Q837 HydrophobicContact CB-CB 4.48Å; L814-Q837 HydrophobicContact CD1-CB 4.33Å; R833-Q837 WeakPolarHBondContact O-CB 3.49Å; R833-Q837 WeakPolarHBondContact O-CG 3.27Å; R833-Q837 PolarHBondContact O-N 3.46Å; R833-Q837 PolarHBondContact O-OE1 3.06Å; L834-Q837 CarbonylContact O-C 3.52Å; L834-Q837 WeakPolarHBondContact O-CA 3.31Å; L834-Q837 PolarHBondContact O-N 3.09Å; L834-Q837 VanDerWaalsContact O-N 3.09Å; E835-Q837 VanDerWaalsContact C-N 3.29Å; E835-Q837 PolarHBondContact O-N 3.36Å; Q837-F841 WeakPolarHBondContact O-CB 3.08Å; Q837-F841 PolarHBondContact O-N 3.23Å
838	C	97	Very high	90.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-49.8	170.9	-66	0	0	0	0	111.2	V819 L823 L834 E835 K840 F841 M842	V819-C838 HydrophobicContact CG2-CB 3.79Å; L823-C838 HydrophobicContact CB-CB 3.83Å; L823-C838 HydrophobicContact CD1-CB 4.18Å; L823-C838 HydrophobicContact CG-CB 4.39Å; L834-C838 PolarHBondContact O-N 3.39Å; L834-C838 PolarHBondContact O-SG 3.08Å; E835-C838 PolarHBondContact O-N 2.86Å; C838-K840 VanDerWaalsContact C-N 3.27Å; C838-K840 PolarHBondContact O-N 3.16Å; C838-F841 PolarHBondContact O-N 2.64Å; C838-F841 VanDerWaalsContact O-N 3.12Å; C838-M842 WeakPolarHBondContact O-CB 3.33Å; C838-M842 VanDerWaalsContact O-CG 3.25Å; C838-M842 WeakPolarHBondContact O-CG 2.89Å; C838-M842 PolarHBondContact O-N 3.32Å
839	Y	95.8	Very high	91.1	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-39.3	177.4	-63.4	-46.9	0	0	0	112.2	L823 R827 E835 A843 E876 V877 S880	L823-Y839 HydrophobicContact CD1-CD1 4.26Å; L823-Y839 HydrophobicContact CD1-CE1 3.75Å; L823-Y839 HydrophobicContact CD1-CE2 4.48Å; L823-Y839 HydrophobicContact CD2-CD1 3.86Å; L823-Y839 HydrophobicContact CD2-CE1 3.56Å; L823-Y839 HydrophobicContact CG-CE1 4.29Å; R827-Y839 PolarHBondContact NE-OH 3.46Å; R827-Y839 VanDerWaalsContact NE-OH 3.08Å; R827-Y839 PolarHBondContact NH2-OH 3.08Å; E835-Y839 HydrophobicContact CG-CD2 4.19Å; E835-Y839 HydrophobicContact CG-CE2 3.49Å; E835-Y839 VanDerWaalsContact CG-CE2 3.49Å; E835-Y839 VanDerWaalsContact O-CD2 3.31Å; E835-Y839 WeakPolarHBondContact O-CD2 3.31Å; E835-Y839 PolarHBondContact O-N 3.37Å; Y839-A843 PolarHBondContact O-N 2.8Å; Y839-A843 VanDerWaalsContact O-N 3.12Å; Y839-E876 PolarHBondContact OH-OE1 3Å; Y839-V877 HydrophobicContact CD1-CG2 4.43Å; Y839-V877 HydrophobicContact CE1-CB 4.41Å; Y839-V877 HydrophobicContact CE1-CG2 4.21Å; Y839-S880 VanDerWaalsContact CD1-CB 3.48Å; Y839-S880 VanDerWaalsContact CG-CB 3.47Å
840	K	94.3	Very high	91.8	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-49.1	172.7	179.8	166.8	177.1	169.7	0	111.7	N836 C838 M842 A843 D844	N836-K840 PolarHBondContact O-N 3.2Å; C838-K840 VanDerWaalsContact C-N 3.27Å; C838-K840 PolarHBondContact O-N 3.16Å; K840-M842 PolarHBondContact O-N 3.13Å; K840-A843 PolarHBondContact O-N 3.27Å; K840-D844 VanDerWaalsContact CE-CG 3.49Å; K840-D844 WeakPolarHBondContact CE-OD1 3.36Å; K840-D844 WeakPolarHBondContact CE-OD2 3.31Å; K840-D844 WeakPolarHBondContact CG-OD2 3.43Å; K840-D844 IonicContact NZ-OD2 2.99Å; K840-D844 WeakPolarHBondContact O-CB 3.41Å; K840-D844 VanDerWaalsContact O-CG 3.3Å; K840-D844 PolarHBondContact O-N 2.81Å
841	F	97	Very high	92.4	Very high	33 Å²	33	56.4 Å²	56.4	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-40.5	178.9	-175.5	-79.3	0	0	0	112	L814 T816 V819 Q837 C838 D844 H845	L814-F841 HydrophobicContact CB-CD2 3.83Å; L814-F841 HydrophobicContact CB-CE2 4.14Å; L814-F841 HydrophobicContact CB-CG 4.17Å; L814-F841 HydrophobicContact CD1-CB 4.15Å; L814-F841 HydrophobicContact CD1-CG 4.5Å; L814-F841 WeakPolarHBondContact O-CE2 3.31Å; T816-F841 HydrophobicContact CG2-CE1 3.81Å; T816-F841 HydrophobicContact CG2-CZ 4.12Å; V819-F841 HydrophobicContact CB-CD1 3.92Å; V819-F841 HydrophobicContact CB-CE1 4.32Å; V819-F841 HydrophobicContact CG1-CD1 4.09Å; V819-F841 HydrophobicContact CG1-CE1 4.31Å; V819-F841 HydrophobicContact CG2-CB 4.2Å; V819-F841 HydrophobicContact CG2-CD1 3.82Å; V819-F841 HydrophobicContact CG2-CG 4.29Å; Q837-F841 WeakPolarHBondContact O-CB 3.08Å; Q837-F841 PolarHBondContact O-N 3.23Å; C838-F841 PolarHBondContact O-N 2.64Å; C838-F841 VanDerWaalsContact O-N 3.12Å; F841-D844 PolarHBondContact O-N 3.46Å; F841-H845 AromaticContact CD1-ND1 3.86Å; F841-H845 AromaticContact CD2-CE1 3.74Å; F841-H845 AromaticContact CD2-ND1 3.76Å; F841-H845 HydrophobicContact CE1-CB 4.28Å; F841-H845 AromaticContact CE1-ND1 3.75Å; F841-H845 AromaticContact CE2-CE1 3.49Å; F841-H845 VanDerWaalsContact CE2-CE1 3.49Å; F841-H845 WeakPolarHBondContact CE2-CE1 3.26Å; F841-H845 AromaticContact CE2-ND1 3.66Å; F841-H845 AromaticContact CG-ND1 3.85Å; F841-H845 AromaticContact CZ-CE1 3.82Å; F841-H845 AromaticContact CZ-ND1 3.63Å; F841-H845 PolarHBondContact O-N 3.26Å; F841-H845 PolarHBondContact O-ND1 2.72Å
842	M	97.2	Very high	93	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-32.2	175.7	-68.8	176.2	157.4	0	0	113.4	V819 C820 L823 C838 K840 L846 V849 F855 M858 V877 I881	V819-M842 HydrophobicContact CG1-CE 4.03Å; V819-M842 HydrophobicContact CG1-CG 4.11Å; V819-M842 HydrophobicContact CG2-CE 4.11Å; V819-M842 HydrophobicContact CG2-CG 3.81Å; C820-M842 HydrophobicContact CB-CE 4.41Å; C820-M842 VanDerWaalsContact SG-CE 3.52Å; L823-M842 HydrophobicContact CB-CE 4.5Å; L823-M842 HydrophobicContact CD2-CE 3.79Å; L823-M842 HydrophobicContact CD2-SD 3.78Å; C838-M842 WeakPolarHBondContact O-CB 3.33Å; C838-M842 VanDerWaalsContact O-CG 3.25Å; C838-M842 WeakPolarHBondContact O-CG 2.89Å; C838-M842 PolarHBondContact O-N 3.32Å; K840-M842 PolarHBondContact O-N 3.13Å; M842-L846 WeakPolarHBondContact O-CA 3.47Å; M842-L846 WeakPolarHBondContact O-CB 3.45Å; M842-L846 PolarHBondContact O-N 3.03Å; M842-L846 VanDerWaalsContact O-N 3.11Å; M842-V849 HydrophobicContact CG-CG1 4.19Å; M842-F855 HydrophobicContact CE-CD2 4.09Å; M842-F855 HydrophobicContact SD-CD2 4.4Å; M842-F855 HydrophobicContact SD-CE2 4.25Å; M842-M858 HydrophobicContact CE-CE 4.33Å; M842-V877 HydrophobicContact SD-CG2 4.26Å; M842-I881 HydrophobicContact CB-CD1 3.82Å; M842-I881 HydrophobicContact CB-CG1 4Å; M842-I881 HydrophobicContact SD-CD1 4.24Å
843	A	95.5	Very high	93.5	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-76.2	-42.1	173.3	0	0	0	0	0	111.7	Y839 K840 H845 I881 N884 L885 K896	Y839-A843 PolarHBondContact O-N 2.8Å; Y839-A843 VanDerWaalsContact O-N 3.12Å; K840-A843 PolarHBondContact O-N 3.27Å; A843-H845 VanDerWaalsContact C-N 3.33Å; A843-H845 PolarHBondContact O-N 3.39Å; A843-I881 HydrophobicContact CB-CG2 4.12Å; A843-N884 HydrophobicContact CB-CB 3.68Å; A843-L885 HydrophobicContact CB-CD2 3.98Å; A843-L885 HydrophobicContact CB-CG 4.14Å; A843-K896 PolarHBondContact O-NZ 2.91Å
844	D	94.2	Very high	94.1	Very high	82 Å²	82	49.8 Å²	49.8	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-37.5	178.3	-68	-11.4	0	0	0	111.5	K840 F841 K896	K840-D844 VanDerWaalsContact CE-CG 3.49Å; K840-D844 WeakPolarHBondContact CE-OD1 3.36Å; K840-D844 WeakPolarHBondContact CE-OD2 3.31Å; K840-D844 WeakPolarHBondContact CG-OD2 3.43Å; K840-D844 IonicContact NZ-OD2 2.99Å; K840-D844 WeakPolarHBondContact O-CB 3.41Å; K840-D844 VanDerWaalsContact O-CG 3.3Å; K840-D844 PolarHBondContact O-N 2.81Å; F841-D844 PolarHBondContact O-N 3.46Å; D844-K896 PolarHBondContact O-NZ 3.28Å
845	H	95.4	Very high	94.4	Very high	71 Å²	71	49.8 Å²	49.8	33%	0.329	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	32.9	-176.5	-47.8	81.9	0	0	0	113.8	T816 F841 A843 E847 E848 V849	T816-H845 HydrophobicContact CG2-CB 4.1Å; F841-H845 AromaticContact CD1-ND1 3.86Å; F841-H845 AromaticContact CD2-CE1 3.74Å; F841-H845 AromaticContact CD2-ND1 3.76Å; F841-H845 HydrophobicContact CE1-CB 4.28Å; F841-H845 AromaticContact CE1-ND1 3.75Å; F841-H845 AromaticContact CE2-CE1 3.49Å; F841-H845 VanDerWaalsContact CE2-CE1 3.49Å; F841-H845 WeakPolarHBondContact CE2-CE1 3.26Å; F841-H845 AromaticContact CE2-ND1 3.66Å; F841-H845 AromaticContact CG-ND1 3.85Å; F841-H845 AromaticContact CZ-CE1 3.82Å; F841-H845 AromaticContact CZ-ND1 3.63Å; F841-H845 PolarHBondContact O-N 3.26Å; F841-H845 PolarHBondContact O-ND1 2.72Å; A843-H845 VanDerWaalsContact C-N 3.33Å; A843-H845 PolarHBondContact O-N 3.39Å; H845-E847 PolarHBondContact O-N 2.91Å; H845-E847 VanDerWaalsContact O-N 3.11Å; H845-E848 PolarHBondContact O-N 3.08Å; H845-E848 VanDerWaalsContact O-N 3.14Å; H845-V849 WeakPolarHBondContact O-CG2 3.28Å; H845-V849 PolarHBondContact O-N 3.14Å
846	L	95.9	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-53.5	-34.2	-176.4	-175.1	66.2	0	0	0	112.9	M842 E848 V849 I850 I881 K896 M899 I900	M842-L846 WeakPolarHBondContact O-CA 3.47Å; M842-L846 WeakPolarHBondContact O-CB 3.45Å; M842-L846 PolarHBondContact O-N 3.03Å; M842-L846 VanDerWaalsContact O-N 3.11Å; L846-E848 PolarHBondContact O-N 3.27Å; L846-V849 PolarHBondContact O-N 2.92Å; L846-I850 HydrophobicContact CD1-CB 4.47Å; L846-I850 VanDerWaalsContact O-CB 3.29Å; L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CG2 3.43Å; L846-I850 PolarHBondContact O-N 3.27Å; L846-I881 HydrophobicContact CD1-CG2 4.44Å; L846-K896 HydrophobicContact CB-CD 4.18Å; L846-K896 HydrophobicContact CB-CG 4.44Å; L846-K896 HydrophobicContact CD2-CB 3.7Å; L846-K896 HydrophobicContact CD2-CD 4.44Å; L846-K896 HydrophobicContact CD2-CG 4.01Å; L846-K896 WeakPolarHBondContact CD2-O 3.23Å; L846-M899 HydrophobicContact CD2-CB 4.43Å; L846-I900 HydrophobicContact CD2-CD1 4.19Å; L846-I900 HydrophobicContact CD2-CG1 3.92Å
847	E	94.2	Very high	94.7	Very high	96 Å²	96	52.1 Å²	52.1	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-32.5	-178.6	-56.5	91.7	144.2	0	0	113.4	H845 K896 M899	H845-E847 PolarHBondContact O-N 2.91Å; H845-E847 VanDerWaalsContact O-N 3.11Å; E847-K896 WeakPolarHBondContact OE1-CE 3.3Å; E847-K896 IonicContact OE1-NZ 2.61Å; E847-K896 PolarHBondContact OE1-NZ 2.8Å; E847-K896 WeakPolarHBondContact OE2-CE 3.41Å; E847-K896 IonicContact OE2-NZ 2.67Å; E847-K896 PolarHBondContact OE2-NZ 3.11Å; E847-M899 HydrophobicContact CB-CE 4.41Å; E847-M899 HydrophobicContact CG-CE 4.36Å; E847-M899 HydrophobicContact CG-SD 4.35Å
848	E	95	Very high	94.7	Very high	122 Å²	122	48.3 Å²	48.3	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-93.6	-36.4	174.5	-69.8	-178.4	-137.1	0	0	111.8	T816 H845 L846	T816-E848 HydrophobicContact CG2-CB 3.73Å; T816-E848 HydrophobicContact CG2-CG 4.49Å; T816-E848 WeakPolarHBondContact CG2-OE2 3.14Å; T816-E848 PolarHBondContact OG1-OE2 2.83Å; H845-E848 PolarHBondContact O-N 3.08Å; H845-E848 VanDerWaalsContact O-N 3.14Å; L846-E848 PolarHBondContact O-N 3.27Å
849	V	95.5	Very high	94.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.7	-25.2	-174.2	176.2	0	0	0	0	112.8	T816 V819 M842 H845 L846 D851 E852 F855	T816-V849 HydrophobicContact CG2-CG2 3.94Å; V819-V849 HydrophobicContact CG1-CG1 4.47Å; V819-V849 HydrophobicContact CG1-CG2 4.13Å; M842-V849 HydrophobicContact CG-CG1 4.19Å; H845-V849 WeakPolarHBondContact O-CG2 3.28Å; H845-V849 PolarHBondContact O-N 3.14Å; L846-V849 PolarHBondContact O-N 2.92Å; V849-D851 VanDerWaalsContact C-N 3.31Å; V849-D851 PolarHBondContact O-N 3.21Å; V849-E852 WeakPolarHBondContact O-CB 3.47Å; V849-E852 PolarHBondContact O-N 3.15Å; V849-F855 HydrophobicContact CG1-CB 4.01Å; V849-F855 HydrophobicContact CG1-CD1 4.39Å; V849-F855 HydrophobicContact CG1-CD2 3.84Å; V849-F855 HydrophobicContact CG1-CE2 4.43Å; V849-F855 HydrophobicContact CG1-CG 3.82Å; V849-F855 VanDerWaalsContact O-CB 3.3Å; V849-F855 WeakPolarHBondContact O-CB 3.4Å
850	I	94.5	Very high	94.3	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.067	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.3	-175	-156.6	169.3	0	0	0	113.8	L846 F855 R856 M899 L903	L846-I850 HydrophobicContact CD1-CB 4.47Å; L846-I850 VanDerWaalsContact O-CB 3.29Å; L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CG2 3.43Å; L846-I850 PolarHBondContact O-N 3.27Å; I850-F855 HydrophobicContact CG1-CE1 4.38Å; I850-R856 PolarHBondContact O-NE 2.66Å; I850-R856 VanDerWaalsContact O-NE 3.1Å; I850-M899 HydrophobicContact CD1-CB 3.79Å; I850-M899 VanDerWaalsContact CD1-O 3.26Å; I850-M899 WeakPolarHBondContact CD1-O 3.38Å; I850-M899 HydrophobicContact CG2-CE 3.94Å; I850-L903 HydrophobicContact CD1-CB 3.97Å; I850-L903 HydrophobicContact CD1-CD2 4.3Å; I850-L903 HydrophobicContact CG1-CB 4.17Å; I850-L903 HydrophobicContact CG1-CD2 3.74Å; I850-L903 HydrophobicContact CG1-CG 4.43Å
851	D	91.8	Very high	94	Very high	117 Å²	117	49.1 Å²	49.1	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.5	177.9	-78.5	-20.3	0	0	0	113	V849 C853 R856	V849-D851 VanDerWaalsContact C-N 3.31Å; V849-D851 PolarHBondContact O-N 3.21Å; D851-C853 PolarHBondContact O-N 3.3Å; D851-R856 IonicContact OD1-NH2 3.74Å
852	E	93.8	Very high	93.6	Very high	69 Å²	69	48.4 Å²	48.4	32%	0.322	25%	0.247	S	C	.	.			trans	-66.7	120.8	176.7	-89.1	-67.2	158.7	0	0	111.7	V849 S854 F855 R856	V849-E852 WeakPolarHBondContact O-CB 3.47Å; V849-E852 PolarHBondContact O-N 3.15Å; E852-S854 PolarHBondContact O-N 3.45Å; E852-S854 VanDerWaalsContact O-N 3.08Å; E852-F855 HydrophobicContact CB-CB 4.32Å; E852-F855 WeakPolarHBondContact O-CB 3.2Å; E852-F855 PolarHBondContact O-N 2.93Å; E852-R856 PolarHBondContact O-N 2.95Å; E852-R856 VanDerWaalsContact O-N 3.15Å
853	C	93.4	Very high	93.1	Very high	90 Å²	90	48.7 Å²	48.7	61%	0.608	25%	0.249	S	C	*	.	H	α-helix	trans	-52.5	-35.6	175.8	-68.3	0	0	0	0	112	D851 F855 R856 E857	D851-C853 PolarHBondContact O-N 3.3Å; C853-F855 VanDerWaalsContact C-N 3.29Å; C853-F855 PolarHBondContact O-N 3.48Å; C853-R856 PolarHBondContact O-N 3.18Å; C853-E857 WeakPolarHBondContact O-CB 3.1Å; C853-E857 WeakPolarHBondContact O-CG 3.48Å; C853-E857 PolarHBondContact O-N 3.09Å
854	S	93.8	Very high	92.5	Very high	29 Å²	29	54.4 Å²	54.4	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-27.6	179.7	68.6	0	0	0	0	113.9	C820 E852 M858	C820-S854 WeakPolarHBondContact CB-OG 3.38Å; C820-S854 PolarHBondContact SG-OG 3.41Å; C820-S854 VanDerWaalsContact SG-OG 3.4Å; E852-S854 PolarHBondContact O-N 3.45Å; E852-S854 VanDerWaalsContact O-N 3.08Å; S854-M858 PolarHBondContact O-N 2.67Å
855	F	95.6	Very high	91.5	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-78.5	-48	173.3	179.7	-112.1	0	0	0	110.6	M842 V849 I850 E852 C853 E857 M858 V859 V877 I878 I881 L903	M842-F855 HydrophobicContact CE-CD2 4.09Å; M842-F855 HydrophobicContact SD-CD2 4.4Å; M842-F855 HydrophobicContact SD-CE2 4.25Å; V849-F855 HydrophobicContact CG1-CB 4.01Å; V849-F855 HydrophobicContact CG1-CD1 4.39Å; V849-F855 HydrophobicContact CG1-CD2 3.84Å; V849-F855 HydrophobicContact CG1-CE2 4.43Å; V849-F855 HydrophobicContact CG1-CG 3.82Å; V849-F855 VanDerWaalsContact O-CB 3.3Å; V849-F855 WeakPolarHBondContact O-CB 3.4Å; I850-F855 HydrophobicContact CG1-CE1 4.38Å; E852-F855 HydrophobicContact CB-CB 4.32Å; E852-F855 WeakPolarHBondContact O-CB 3.2Å; E852-F855 PolarHBondContact O-N 2.93Å; C853-F855 VanDerWaalsContact C-N 3.29Å; C853-F855 PolarHBondContact O-N 3.48Å; F855-E857 VanDerWaalsContact C-N 3.31Å; F855-E857 PolarHBondContact O-N 2.9Å; F855-M858 WeakPolarHBondContact O-CA 2.95Å; F855-M858 WeakPolarHBondContact O-CB 3.07Å; F855-M858 PolarHBondContact O-N 3.04Å; F855-V859 HydrophobicContact CD1-CG2 4.32Å; F855-V859 HydrophobicContact CE1-CG2 3.93Å; F855-V859 HydrophobicContact CE2-CG2 4.16Å; F855-V859 HydrophobicContact CZ-CG2 3.84Å; F855-V859 PolarHBondContact O-N 3.39Å; F855-V877 HydrophobicContact CE2-CG2 3.95Å; F855-I878 HydrophobicContact CZ-CD1 4.37Å; F855-I881 HydrophobicContact CE2-CD1 3.59Å; F855-I881 HydrophobicContact CZ-CD1 3.65Å; F855-L903 HydrophobicContact CD1-CD2 4.11Å; F855-L903 HydrophobicContact CE1-CD2 3.69Å
856	R	94	Very high	90	Very high	53 Å²	53	52.6 Å²	52.6	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-42.9	176.6	-65.2	174.5	160.3	-110.6	1.3	111.9	I850 D851 E852 C853 M858 V860 L903 E906	I850-R856 PolarHBondContact O-NE 2.66Å; I850-R856 VanDerWaalsContact O-NE 3.1Å; D851-R856 IonicContact OD1-NH2 3.74Å; E852-R856 PolarHBondContact O-N 2.95Å; E852-R856 VanDerWaalsContact O-N 3.15Å; C853-R856 PolarHBondContact O-N 3.18Å; R856-M858 VanDerWaalsContact C-N 3.34Å; R856-M858 PolarHBondContact O-N 2.83Å; R856-V860 WeakPolarHBondContact O-CG2 3.31Å; R856-V860 PolarHBondContact O-N 2.73Å; R856-L903 HydrophobicContact CG-CD1 4.03Å; R856-E906 IonicContact CZ-OE1 3.61Å; R856-E906 IonicContact CZ-OE2 2.78Å; R856-E906 VanDerWaalsContact CZ-OE2 3.28Å; R856-E906 IonicContact NH1-OE1 3.7Å; R856-E906 PolarHBondContact NH1-OE1 2.91Å; R856-E906 IonicContact NH1-OE2 2.74Å; R856-E906 PolarHBondContact NH1-OE2 2.82Å; R856-E906 IonicContact NH2-OE1 3.15Å; R856-E906 IonicContact NH2-OE2 3.82Å; R856-E906 PolarHBondContact NH2-OE2 3.49Å
857	E	92.3	Very high	87.8	Confident	118 Å²	118	58.8 Å²	58.8	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-59.4	-40.4	170.9	-76.6	179.8	168.6	0	0	112.7	C853 F855 V860 E861	C853-E857 WeakPolarHBondContact O-CB 3.1Å; C853-E857 WeakPolarHBondContact O-CG 3.48Å; C853-E857 PolarHBondContact O-N 3.09Å; F855-E857 VanDerWaalsContact C-N 3.31Å; F855-E857 PolarHBondContact O-N 2.9Å; E857-V860 PolarHBondContact O-N 2.85Å; E857-E861 WeakPolarHBondContact O-CB 3.14Å; E857-E861 WeakPolarHBondContact O-CG 3.35Å; E857-E861 PolarHBondContact O-N 3.09Å
858	M	92.9	Very high	86	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-41.8	-179.3	-166.4	-178.3	-46.7	0	0	112.7	C820 L823 R824 M842 S854 F855 R856 V860 E861 D862 V877	C820-M858 HydrophobicContact CB-CE 3.78Å; C820-M858 VanDerWaalsContact O-CE 3.28Å; C820-M858 WeakPolarHBondContact O-CE 3.39Å; L823-M858 HydrophobicContact CB-CE 4.32Å; L823-M858 HydrophobicContact CD2-CE 4.12Å; L823-M858 HydrophobicContact CD2-SD 3.5Å; L823-M858 WeakPolarHBondContact CD2-SD 3.39Å; L823-M858 HydrophobicContact CG-CE 4.37Å; L823-M858 HydrophobicContact CG-SD 4.01Å; R824-M858 HydrophobicContact CG-CE 3.95Å; M842-M858 HydrophobicContact CE-CE 4.33Å; S854-M858 PolarHBondContact O-N 2.67Å; F855-M858 WeakPolarHBondContact O-CA 2.95Å; F855-M858 WeakPolarHBondContact O-CB 3.07Å; F855-M858 PolarHBondContact O-N 3.04Å; R856-M858 VanDerWaalsContact C-N 3.34Å; R856-M858 PolarHBondContact O-N 2.83Å; M858-V860 VanDerWaalsContact C-N 3.27Å; M858-V860 PolarHBondContact O-N 3.3Å; M858-E861 PolarHBondContact O-N 2.75Å; M858-D862 PolarHBondContact O-N 3.11Å; M858-V877 HydrophobicContact SD-CG2 4.28Å
859	V	93.2	Very high	84	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-42.4	174.8	177	0	0	0	0	110.2	F855 A863 I875 V877 I878 L904 L907 L909	F855-V859 HydrophobicContact CD1-CG2 4.32Å; F855-V859 HydrophobicContact CE1-CG2 3.93Å; F855-V859 HydrophobicContact CE2-CG2 4.16Å; F855-V859 HydrophobicContact CZ-CG2 3.84Å; F855-V859 PolarHBondContact O-N 3.39Å; V859-A863 VanDerWaalsContact O-CB 3.27Å; V859-A863 WeakPolarHBondContact O-CB 3.35Å; V859-A863 PolarHBondContact O-N 2.89Å; V859-I875 HydrophobicContact CG1-CD1 4.21Å; V859-I875 HydrophobicContact CG1-CG2 4.39Å; V859-V877 HydrophobicContact CG2-CG1 3.97Å; V859-I878 HydrophobicContact CG1-CD1 4.09Å; V859-I878 HydrophobicContact CG1-CG1 4.11Å; V859-I878 HydrophobicContact CG2-CD1 3.8Å; V859-I878 HydrophobicContact CG2-CG1 4.42Å; V859-L904 HydrophobicContact CG1-CD2 4.3Å; V859-L907 HydrophobicContact CB-CD1 4.24Å; V859-L907 HydrophobicContact CG1-CD1 3.96Å; V859-L909 HydrophobicContact CG1-CD1 3.8Å
860	V	91.3	Very high	81.9	Confident	42 Å²	42	67.4 Å²	67.4	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-39	175.6	173	0	0	0	0	112.3	R856 E857 M858 Q864 L907 L909	R856-V860 WeakPolarHBondContact O-CG2 3.31Å; R856-V860 PolarHBondContact O-N 2.73Å; E857-V860 PolarHBondContact O-N 2.85Å; M858-V860 VanDerWaalsContact C-N 3.27Å; M858-V860 PolarHBondContact O-N 3.3Å; V860-Q864 HydrophobicContact CG1-CG 4.46Å; V860-Q864 VanDerWaalsContact CG1-NE2 3.3Å; V860-Q864 WeakPolarHBondContact O-CB 3.45Å; V860-Q864 VanDerWaalsContact O-CG 3.26Å; V860-Q864 WeakPolarHBondContact O-CG 3.35Å; V860-Q864 PolarHBondContact O-N 2.86Å; V860-L907 HydrophobicContact CG2-CD1 4.14Å; V860-L907 HydrophobicContact CG2-CD2 4.1Å; V860-L909 HydrophobicContact CG2-CD1 4.28Å
861	E	87.9	Confident	79.9	Confident	91 Å²	91	72.4 Å²	72.4	43%	0.425	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-45	176.3	-82.8	177.8	-121.9	0	0	112.9	R824 E857 M858 Q864 S865	R824-E861 IonicContact CZ-OE1 2.83Å; R824-E861 IonicContact CZ-OE2 3.28Å; R824-E861 IonicContact NH1-OE1 2.81Å; R824-E861 PolarHBondContact NH1-OE1 2.98Å; R824-E861 IonicContact NH1-OE2 3.9Å; R824-E861 PolarHBondContact NH1-OE2 3.08Å; R824-E861 IonicContact NH2-OE1 3.99Å; R824-E861 PolarHBondContact NH2-OE1 3.35Å; E857-E861 WeakPolarHBondContact O-CB 3.14Å; E857-E861 WeakPolarHBondContact O-CG 3.35Å; E857-E861 PolarHBondContact O-N 3.09Å; M858-E861 PolarHBondContact O-N 2.75Å; E861-Q864 PolarHBondContact O-N 2.91Å; E861-S865 PolarHBondContact O-N 3.46Å
862	D	88.6	Confident	78.2	Confident	18 Å²	18	72.3 Å²	72.3	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-46.5	176.9	-80.3	11.1	0	0	0	110.1	R827 M858 Q864 S865 I875 V877	R827-D862 IonicContact CZ-OD1 2.76Å; R827-D862 IonicContact CZ-OD2 3.22Å; R827-D862 VanDerWaalsContact CZ-OD2 3.32Å; R827-D862 VanDerWaalsContact NH1-CG 3.26Å; R827-D862 IonicContact NH1-OD1 3.02Å; R827-D862 PolarHBondContact NH1-OD1 3.3Å; R827-D862 IonicContact NH1-OD2 3.84Å; R827-D862 PolarHBondContact NH1-OD2 3.26Å; R827-D862 IonicContact NH2-OD1 2.8Å; R827-D862 IonicContact NH2-OD2 2.83Å; R827-D862 PolarHBondContact NH2-OD2 3.07Å; M858-D862 PolarHBondContact O-N 3.11Å; D862-Q864 VanDerWaalsContact C-N 3.32Å; D862-Q864 PolarHBondContact O-N 3.07Å; D862-S865 VanDerWaalsContact O-CB 3.31Å; D862-S865 WeakPolarHBondContact O-CB 3.44Å; D862-S865 PolarHBondContact O-N 2.96Å; D862-S865 PolarHBondContact O-OG 2.96Å; D862-I875 HydrophobicContact CB-CG2 3.64Å; D862-V877 HydrophobicContact CB-CG1 4.36Å; D862-V877 WeakPolarHBondContact OD2-CB 3.26Å; D862-V877 WeakPolarHBondContact OD2-CG1 3.5Å; D862-V877 PolarHBondContact OD2-N 3.28Å
863	A	86.4	Confident	76.8	Confident	6 Å²	6	71.7 Å²	71.7	5%	0.05	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-36.8	175.2	0	0	0	0	0	113	V859 S865 I875 L909	V859-A863 VanDerWaalsContact O-CB 3.27Å; V859-A863 WeakPolarHBondContact O-CB 3.35Å; V859-A863 PolarHBondContact O-N 2.89Å; A863-S865 VanDerWaalsContact C-N 3.29Å; A863-S865 PolarHBondContact O-N 3.2Å; A863-I875 HydrophobicContact CB-CD1 3.87Å; A863-I875 HydrophobicContact CB-CG1 3.98Å; A863-L909 HydrophobicContact CB-CD1 4.31Å; A863-L909 HydrophobicContact CB-CD2 4.2Å
864	Q	82.4	Confident	75.9	Confident	123 Å²	123	70.4 Å²	70.4	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-74	-14.9	174.3	-78	-177	33.1	0	0	114	V860 E861 D862 L866	V860-Q864 HydrophobicContact CG1-CG 4.46Å; V860-Q864 VanDerWaalsContact CG1-NE2 3.3Å; V860-Q864 WeakPolarHBondContact O-CB 3.45Å; V860-Q864 VanDerWaalsContact O-CG 3.26Å; V860-Q864 WeakPolarHBondContact O-CG 3.35Å; V860-Q864 PolarHBondContact O-N 2.86Å; E861-Q864 PolarHBondContact O-N 2.91Å; D862-Q864 VanDerWaalsContact C-N 3.32Å; D862-Q864 PolarHBondContact O-N 3.07Å; Q864-L866 VanDerWaalsContact C-N 3.27Å
865	S	72.8	Confident	75.5	Confident	66 Å²	66	69 Å²	69	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-73.8	-22.7	177.1	83.9	0	0	0	0	112.4	E861 D862 A863 R867	E861-S865 PolarHBondContact O-N 3.46Å; D862-S865 VanDerWaalsContact O-CB 3.31Å; D862-S865 WeakPolarHBondContact O-CB 3.44Å; D862-S865 PolarHBondContact O-N 2.96Å; D862-S865 PolarHBondContact O-OG 2.96Å; A863-S865 VanDerWaalsContact C-N 3.29Å; A863-S865 PolarHBondContact O-N 3.2Å; S865-R867 PolarHBondContact O-N 3.41Å
866	L	64.6	Low	75.1	Confident	48 Å²	48	72.8 Å²	72.8	25%	0.251	36%	0.36	S	S	.	.			trans	-71.8	104.3	177.2	-59.8	166.7	0	0	0	110.6	Q864 Y868 R869 D873	Q864-L866 VanDerWaalsContact C-N 3.27Å; L866-Y868 PolarHBondContact O-N 3.29Å; L866-R869 HydrophobicContact CB-CB 4.32Å; L866-R869 HydrophobicContact CD1-CG 4.42Å; L866-D873 HydrophobicContact CD1-CB 3.9Å; L866-D873 HydrophobicContact CD2-CB 4.41Å
867	R	50.8	Low	75	Confident	130 Å²	130	70.3 Å²	70.3	49%	0.491	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21	-172	-80.4	174	157.4	-96.5	1.2	115.6	T115 T117 S865	T115-R867 PolarHBondContact O-NH1 2.85Å; T115-R867 PolarHBondContact O-NH2 2.86Å; T115-R867 VanDerWaalsContact O-NH2 3.12Å; T117-R867 PolarHBondContact OG1-NH2 3.13Å; S865-R867 PolarHBondContact O-N 3.41Å
868	Y	55.4	Low	75.1	Confident	171 Å²	171	64.7 Å²	64.7	67%	0.671	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	43.8	-173.7	-71.5	-71.6	0	0	0	111.3	L866 E870	L866-Y868 PolarHBondContact O-N 3.29Å; Y868-E870 PolarHBondContact O-N 3.22Å
869	R	52.5	Low	75	Confident	81 Å²	81	67.8 Å²	67.8	31%	0.306	34%	0.341	S	S	.	.			trans	-43	106.6	-174.1	-169.7	-176.5	-171.7	178.7	12.8	112.7	L866 D873 N910	L866-R869 HydrophobicContact CB-CB 4.32Å; L866-R869 HydrophobicContact CD1-CG 4.42Å; R869-D873 WeakPolarHBondContact CA-OD2 3.3Å; R869-D873 HydrophobicContact CG-CB 4.29Å; R869-N910 PolarHBondContact NE-O 3.05Å; R869-N910 VanDerWaalsContact NH2-C 3.3Å; R869-N910 PolarHBondContact NH2-O 3.02Å
870	E	52.3	Low	74.9	Confident	148 Å²	148	69 Å²	69	69%	0.692	35%	0.349	S	S	*	.			trans	-81.7	159.9	159.7	-61.4	-167.5	173.2	0	0	108.6	Y868 C872 D873	Y868-E870 PolarHBondContact O-N 3.22Å; E870-C872 PolarHBondContact O-N 2.67Å; E870-D873 PolarHBondContact N-OD2 3.46Å; E870-D873 PolarHBondContact O-N 2.71Å; E870-D873 VanDerWaalsContact O-N 3.08Å
871	D	51.8	Low	75	Confident	118 Å²	118	67 Å²	67	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	3.3	-173.8	-65.8	-65.6	0	0	0	115.1	N910	D871-N910 HydrophobicContact CB-CB 4.33Å; D871-N910 PolarHBondContact OD1-ND2 3.13Å
872	C	57.1	Low	75.3	Confident	115 Å²	115	65.2 Å²	65.2	78%	0.777	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	14.8	179.8	-53.5	0	0	0	0	113	E870	E870-C872 PolarHBondContact O-N 2.67Å
873	D	63.9	Low	75.3	Confident	56 Å²	56	71.2 Å²	71.2	30%	0.299	35%	0.349	S	S	.	.			trans	-78.6	125.3	177.2	-80.4	-24.4	0	0	0	111.5	L866 R869 E870	L866-D873 HydrophobicContact CD1-CB 3.9Å; L866-D873 HydrophobicContact CD2-CB 4.41Å; R869-D873 WeakPolarHBondContact CA-OD2 3.3Å; R869-D873 HydrophobicContact CG-CB 4.29Å; E870-D873 PolarHBondContact N-OD2 3.46Å; E870-D873 PolarHBondContact O-N 2.71Å; E870-D873 VanDerWaalsContact O-N 3.08Å
874	S	74.7	Confident	75.5	Confident	62 Å²	62	72.6 Å²	72.6	43%	0.434	36%	0.355	S	S	.	.			trans	-62.6	130.3	-174.8	46.1	0	0	0	0	114.3	D879	S874-D879 VanDerWaalsContact CB-CG 3.41Å; S874-D879 WeakPolarHBondContact CB-OD1 3.3Å; S874-D879 WeakPolarHBondContact CB-OD2 3.28Å
875	I	85.9	Confident	75.9	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.			trans	-86.6	114.1	169	-59.1	174.3	0	0	0	107.9	V859 D862 A863 V877 I878 D879 L904 L909 A911	V859-I875 HydrophobicContact CG1-CD1 4.21Å; V859-I875 HydrophobicContact CG1-CG2 4.39Å; D862-I875 HydrophobicContact CB-CG2 3.64Å; A863-I875 HydrophobicContact CB-CD1 3.87Å; A863-I875 HydrophobicContact CB-CG1 3.98Å; I875-V877 HydrophobicContact CG2-CG1 4.02Å; I875-V877 PolarHBondContact O-N 2.99Å; I875-I878 HydrophobicContact CB-CB 4.05Å; I875-I878 HydrophobicContact CB-CG1 3.91Å; I875-I878 HydrophobicContact CD1-CG1 4.37Å; I875-I878 HydrophobicContact CG2-CB 4.33Å; I875-I878 HydrophobicContact CG2-CG1 3.8Å; I875-I878 WeakPolarHBondContact O-CA 3.37Å; I875-I878 PolarHBondContact O-N 3Å; I875-D879 PolarHBondContact O-N 2.75Å; I875-L904 HydrophobicContact CD1-CD2 3.78Å; I875-L909 HydrophobicContact CD1-CB 4.35Å; I875-L909 HydrophobicContact CD1-CD1 4.29Å; I875-A911 HydrophobicContact CB-CB 4.44Å; I875-A911 HydrophobicContact CD1-CB 3.53Å; I875-A911 HydrophobicContact CG1-CB 3.72Å
876	E	86.8	Confident	76.5	Confident	81 Å²	81	68.2 Å²	68.2	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-50.9	-45.5	-169	-167.3	-170.4	126.4	0	0	114.2	R827 Y839 S880	R827-E876 IonicContact CZ-OE1 2.79Å; R827-E876 IonicContact NE-OE1 3.23Å; R827-E876 PolarHBondContact NE-OE1 3.45Å; R827-E876 IonicContact NH2-OE1 3.85Å; R827-E876 PolarHBondContact NH2-OE1 2.7Å; Y839-E876 PolarHBondContact OH-OE1 3Å; E876-S880 VanDerWaalsContact O-CB 3.29Å; E876-S880 WeakPolarHBondContact O-CB 3.16Å; E876-S880 PolarHBondContact O-N 2.86Å; E876-S880 VanDerWaalsContact O-N 3.1Å; E876-S880 PolarHBondContact O-OG 2.97Å
877	V	91.9	Very high	77.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.3	-37.5	175.8	63.3	0	0	0	0	113.4	L823 Y839 M842 F855 M858 V859 D862 I875 S880 I881	L823-V877 HydrophobicContact CD2-CG2 4.27Å; Y839-V877 HydrophobicContact CD1-CG2 4.43Å; Y839-V877 HydrophobicContact CE1-CB 4.41Å; Y839-V877 HydrophobicContact CE1-CG2 4.21Å; M842-V877 HydrophobicContact SD-CG2 4.26Å; F855-V877 HydrophobicContact CE2-CG2 3.95Å; M858-V877 HydrophobicContact SD-CG2 4.28Å; V859-V877 HydrophobicContact CG2-CG1 3.97Å; D862-V877 HydrophobicContact CB-CG1 4.36Å; D862-V877 WeakPolarHBondContact OD2-CB 3.26Å; D862-V877 WeakPolarHBondContact OD2-CG1 3.5Å; D862-V877 PolarHBondContact OD2-N 3.28Å; I875-V877 HydrophobicContact CG2-CG1 4.02Å; I875-V877 PolarHBondContact O-N 2.99Å; V877-S880 PolarHBondContact O-N 2.81Å; V877-I881 HydrophobicContact CG2-CD1 4.03Å; V877-I881 WeakPolarHBondContact O-CG1 3.11Å; V877-I881 PolarHBondContact O-N 3.27Å
878	I	93.6	Very high	78.8	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-70.7	-47.1	-179.9	-60.6	-61.8	0	0	0	110.5	F855 V859 I875 S880 I881 R882 I900 L904	F855-I878 HydrophobicContact CZ-CD1 4.37Å; V859-I878 HydrophobicContact CG1-CD1 4.09Å; V859-I878 HydrophobicContact CG1-CG1 4.11Å; V859-I878 HydrophobicContact CG2-CD1 3.8Å; V859-I878 HydrophobicContact CG2-CG1 4.42Å; I875-I878 HydrophobicContact CB-CB 4.05Å; I875-I878 HydrophobicContact CB-CG1 3.91Å; I875-I878 HydrophobicContact CD1-CG1 4.37Å; I875-I878 HydrophobicContact CG2-CB 4.33Å; I875-I878 HydrophobicContact CG2-CG1 3.8Å; I875-I878 WeakPolarHBondContact O-CA 3.37Å; I875-I878 PolarHBondContact O-N 3Å; I878-S880 PolarHBondContact O-N 3.44Å; I878-I881 PolarHBondContact O-N 3.11Å; I878-R882 HydrophobicContact CG2-CG 4.16Å; I878-R882 WeakPolarHBondContact O-CB 3.2Å; I878-R882 WeakPolarHBondContact O-CG 3.37Å; I878-R882 PolarHBondContact O-N 3.38Å; I878-I900 HydrophobicContact CD1-CG2 4.38Å; I878-I900 HydrophobicContact CG2-CG2 3.69Å; I878-L904 HydrophobicContact CG1-CD2 4.39Å; I878-L904 HydrophobicContact CG2-CD1 4.45Å
879	D	90.5	Very high	80.2	Confident	67 Å²	67	64.1 Å²	64.1	36%	0.358	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-39.7	174.3	-86.6	42.7	0	0	0	111.4	S874 I875 Y883	S874-D879 VanDerWaalsContact CB-CG 3.41Å; S874-D879 WeakPolarHBondContact CB-OD1 3.3Å; S874-D879 WeakPolarHBondContact CB-OD2 3.28Å; I875-D879 PolarHBondContact O-N 2.75Å; D879-Y883 VanDerWaalsContact O-CB 3.23Å; D879-Y883 WeakPolarHBondContact O-CB 3.47Å; D879-Y883 PolarHBondContact O-N 3.34Å
880	S	92.5	Very high	81.7	Confident	26 Å²	26	67.6 Å²	67.6	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-36.7	178.5	-60	0	0	0	0	112.6	Y839 E876 V877 I878 N884	Y839-S880 VanDerWaalsContact CD1-CB 3.48Å; Y839-S880 VanDerWaalsContact CG-CB 3.47Å; E876-S880 VanDerWaalsContact O-CB 3.29Å; E876-S880 WeakPolarHBondContact O-CB 3.16Å; E876-S880 PolarHBondContact O-N 2.86Å; E876-S880 VanDerWaalsContact O-N 3.1Å; E876-S880 PolarHBondContact O-OG 2.97Å; V877-S880 PolarHBondContact O-N 2.81Å; I878-S880 PolarHBondContact O-N 3.44Å; S880-N884 PolarHBondContact O-N 3.38Å; S880-N884 PolarHBondContact O-ND2 2.91Å
881	I	93.3	Very high	83.4	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-50.8	172.6	-69.8	167.6	0	0	0	110.1	M842 A843 L846 F855 V877 I878 Y883 N884 L885 I900	M842-I881 HydrophobicContact CB-CD1 3.82Å; M842-I881 HydrophobicContact CB-CG1 4Å; M842-I881 HydrophobicContact SD-CD1 4.24Å; A843-I881 HydrophobicContact CB-CG2 4.12Å; L846-I881 HydrophobicContact CD1-CG2 4.44Å; F855-I881 HydrophobicContact CE2-CD1 3.59Å; F855-I881 HydrophobicContact CZ-CD1 3.65Å; V877-I881 HydrophobicContact CG2-CD1 4.03Å; V877-I881 WeakPolarHBondContact O-CG1 3.11Å; V877-I881 PolarHBondContact O-N 3.27Å; I878-I881 PolarHBondContact O-N 3.11Å; I881-Y883 PolarHBondContact O-N 2.98Å; I881-N884 PolarHBondContact O-N 3.29Å; I881-L885 HydrophobicContact CG2-CD1 4.02Å; I881-L885 HydrophobicContact CG2-CG 4.31Å; I881-L885 WeakPolarHBondContact O-CG 3.49Å; I881-L885 PolarHBondContact O-N 3.08Å; I881-I900 HydrophobicContact CG2-CD1 3.88Å
882	R	92.9	Very high	85.1	Confident	52 Å²	52	66.1 Å²	66.1	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-53.8	-38.7	176.9	-75.2	-178.7	172.1	159.4	-5.7	111.3	I878 L885 T886 F897 I900 D901 A911	I878-R882 HydrophobicContact CG2-CG 4.16Å; I878-R882 WeakPolarHBondContact O-CB 3.2Å; I878-R882 WeakPolarHBondContact O-CG 3.37Å; I878-R882 PolarHBondContact O-N 3.38Å; R882-L885 PolarHBondContact O-N 3.17Å; R882-T886 WeakPolarHBondContact O-CG2 3.43Å; R882-T886 PolarHBondContact O-N 3.07Å; R882-F897 HydrophobicContact CB-CE1 4.02Å; R882-F897 HydrophobicContact CG-CD1 4.06Å; R882-F897 HydrophobicContact CG-CE1 3.95Å; R882-I900 HydrophobicContact CG-CD1 3.98Å; R882-D901 IonicContact CZ-OD1 2.62Å; R882-D901 IonicContact NH2-OD1 3.64Å; R882-D901 PolarHBondContact NH2-OD1 2.74Å; R882-A911 VanDerWaalsContact CZ-O 3.3Å; R882-A911 PolarHBondContact NH1-O 3.35Å; R882-A911 PolarHBondContact NH1-OXT 3.36Å; R882-A911 PolarHBondContact NH2-O 3.2Å
883	Y	90.1	Very high	86.7	Confident	144 Å²	144	61 Å²	61	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-46.1	172.9	175.7	-99.9	0	0	0	113.1	D879 I881 L885 T886 F887	D879-Y883 VanDerWaalsContact O-CB 3.23Å; D879-Y883 WeakPolarHBondContact O-CB 3.47Å; D879-Y883 PolarHBondContact O-N 3.34Å; I881-Y883 PolarHBondContact O-N 2.98Å; Y883-L885 VanDerWaalsContact C-N 3.3Å; Y883-L885 PolarHBondContact O-N 3.25Å; Y883-T886 WeakPolarHBondContact O-CB 3.45Å; Y883-T886 PolarHBondContact O-N 3.37Å; Y883-T886 PolarHBondContact O-OG1 3.49Å; Y883-F887 AromaticContact CE1-CE2 3.98Å; Y883-F887 HydrophobicContact CE1-CE2 3.98Å; Y883-F887 AromaticContact CZ-CE2 3.96Å
884	N	88.9	Confident	87.9	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.193	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-33.5	177.5	-80	-85.7	0	0	0	112	A843 S880 I881 T886 F887	A843-N884 HydrophobicContact CB-CB 3.68Å; S880-N884 PolarHBondContact O-N 3.38Å; S880-N884 PolarHBondContact O-ND2 2.91Å; I881-N884 PolarHBondContact O-N 3.29Å; N884-T886 PolarHBondContact O-N 2.81Å; N884-F887 PolarHBondContact O-N 3.27Å
885	L	90.8	Very high	88.7	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-19.1	174.1	-66.7	174	0	0	0	113.6	A843 I881 R882 Y883 F887 A888 K896 F897 I900	A843-L885 HydrophobicContact CB-CD2 3.98Å; A843-L885 HydrophobicContact CB-CG 4.14Å; I881-L885 HydrophobicContact CG2-CD1 4.02Å; I881-L885 HydrophobicContact CG2-CG 4.31Å; I881-L885 WeakPolarHBondContact O-CG 3.49Å; I881-L885 PolarHBondContact O-N 3.08Å; R882-L885 PolarHBondContact O-N 3.17Å; Y883-L885 VanDerWaalsContact C-N 3.3Å; Y883-L885 PolarHBondContact O-N 3.25Å; L885-F887 PolarHBondContact O-N 2.97Å; L885-F887 VanDerWaalsContact O-N 3.08Å; L885-A888 WeakPolarHBondContact O-CB 3.33Å; L885-A888 PolarHBondContact O-N 2.84Å; L885-A888 VanDerWaalsContact O-N 3.1Å; L885-K896 HydrophobicContact CD1-CB 3.72Å; L885-K896 HydrophobicContact CD2-CB 3.85Å; L885-K896 HydrophobicContact CD2-CD 3.54Å; L885-K896 HydrophobicContact CD2-CG 4.29Å; L885-K896 HydrophobicContact CG-CB 4.45Å; L885-F897 HydrophobicContact CB-CE1 3.9Å; L885-F897 HydrophobicContact CB-CZ 4.01Å; L885-F897 HydrophobicContact CD1-CD1 3.97Å; L885-F897 HydrophobicContact CD1-CE1 3.88Å; L885-I900 HydrophobicContact CD1-CD1 3.88Å
886	T	85.6	Confident	89.1	Confident	92 Å²	92	66 Å²	66	56%	0.564	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.6	173.2	69.6	0	0	0	0	114.3	R882 Y883 N884	R882-T886 WeakPolarHBondContact O-CG2 3.43Å; R882-T886 PolarHBondContact O-N 3.07Å; Y883-T886 WeakPolarHBondContact O-CB 3.45Å; Y883-T886 PolarHBondContact O-N 3.37Å; Y883-T886 PolarHBondContact O-OG1 3.49Å; N884-T886 PolarHBondContact O-N 2.81Å
887	F	81.6	Confident	89.4	Confident	147 Å²	147	65.2 Å²	65.2	65%	0.645	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-0.9	175.4	-55.8	-78.8	0	0	0	113.9	Y883 N884 L885	Y883-F887 AromaticContact CE1-CE2 3.98Å; Y883-F887 HydrophobicContact CE1-CE2 3.98Å; Y883-F887 AromaticContact CZ-CE2 3.96Å; N884-F887 PolarHBondContact O-N 3.27Å; L885-F887 PolarHBondContact O-N 2.97Å; L885-F887 VanDerWaalsContact O-N 3.08Å
888	A	82.2	Confident	89.5	Confident	42 Å²	42	68.7 Å²	68.7	35%	0.347	36%	0.361	S	S	.	.	S	Bend	trans	-79.5	176.7	172.4	0	0	0	0	0	111.2	L885 E892 A893	L885-A888 WeakPolarHBondContact O-CB 3.33Å; L885-A888 PolarHBondContact O-N 2.84Å; L885-A888 VanDerWaalsContact O-N 3.1Å; A888-E892 HydrophobicContact CB-CB 4.28Å; A888-A893 HydrophobicContact CB-CB 4.44Å
889	T	85.9	Confident	89.5	Confident	75 Å²	75	71 Å²	71	46%	0.46	37%	0.373	S	S	.	.			trans	-68.9	158.3	167.5	67.8	0	0	0	0	110.7	D891 E892 A893	T889-D891 VanDerWaalsContact C-N 3.26Å; T889-D891 PolarHBondContact O-N 3.2Å; T889-E892 VanDerWaalsContact CB-OE2 3.28Å; T889-E892 WeakPolarHBondContact CB-OE2 3.41Å; T889-E892 WeakPolarHBondContact CG2-OE2 3.14Å; T889-E892 PolarHBondContact N-OE2 3.33Å; T889-E892 PolarHBondContact O-N 2.81Å; T889-E892 WeakPolarHBondContact OG1-CG 3.49Å; T889-E892 PolarHBondContact OG1-N 3.19Å; T889-E892 PolarHBondContact OG1-OE2 2.76Å; T889-A893 VanDerWaalsContact O-CB 3.26Å; T889-A893 WeakPolarHBondContact O-CB 3.44Å; T889-A893 PolarHBondContact O-N 3.29Å
890	L	84.4	Confident	89.7	Confident	153 Å²	153	68 Å²	68	80%	0.801	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-35.5	-177.5	-69.7	172.7	0	0	0	112.7	S894	L890-S894 VanDerWaalsContact O-CB 3.28Å; L890-S894 WeakPolarHBondContact O-CB 3.45Å; L890-S894 PolarHBondContact O-N 3.36Å
891	D	86.6	Confident	89.7	Confident	136 Å²	136	70.2 Å²	70.2	73%	0.727	37%	0.367	S	S	*	.	H	α-helix	trans	-72.2	-50	-179.4	-57.4	-42.8	0	0	0	110.8	T889 A893 S894 E895	T889-D891 VanDerWaalsContact C-N 3.26Å; T889-D891 PolarHBondContact O-N 3.2Å; D891-A893 VanDerWaalsContact C-N 3.32Å; D891-A893 PolarHBondContact O-N 2.96Å; D891-S894 PolarHBondContact O-N 2.83Å; D891-E895 PolarHBondContact O-N 3.11Å
892	E	88.4	Confident	89.7	Confident	99 Å²	99	73 Å²	73	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-57.3	-43.7	174.3	-68.3	163.1	148.2	0	0	111.8	A888 T889 E895 K896	A888-E892 HydrophobicContact CB-CB 4.28Å; T889-E892 VanDerWaalsContact CB-OE2 3.28Å; T889-E892 WeakPolarHBondContact CB-OE2 3.41Å; T889-E892 WeakPolarHBondContact CG2-OE2 3.14Å; T889-E892 PolarHBondContact N-OE2 3.33Å; T889-E892 PolarHBondContact O-N 2.81Å; T889-E892 WeakPolarHBondContact OG1-CG 3.49Å; T889-E892 PolarHBondContact OG1-N 3.19Å; T889-E892 PolarHBondContact OG1-OE2 2.76Å; E892-E895 PolarHBondContact O-N 3.21Å; E892-K896 WeakPolarHBondContact O-CB 3.45Å; E892-K896 VanDerWaalsContact O-CG 3.31Å; E892-K896 WeakPolarHBondContact O-CG 3.26Å; E892-K896 PolarHBondContact O-N 3.34Å
893	A	89.7	Confident	89.7	Confident	8 Å²	8	70.7 Å²	70.7	7%	0.066	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-43.2	178.1	0	0	0	0	0	111.3	A888 T889 D891 E895 K896 F897	A888-A893 HydrophobicContact CB-CB 4.44Å; T889-A893 VanDerWaalsContact O-CB 3.26Å; T889-A893 WeakPolarHBondContact O-CB 3.44Å; T889-A893 PolarHBondContact O-N 3.29Å; D891-A893 VanDerWaalsContact C-N 3.32Å; D891-A893 PolarHBondContact O-N 2.96Å; A893-E895 PolarHBondContact O-N 2.84Å; A893-K896 PolarHBondContact O-N 3.14Å; A893-F897 HydrophobicContact CB-CD2 4.38Å; A893-F897 HydrophobicContact CB-CE2 3.87Å; A893-F897 HydrophobicContact CB-CZ 4.4Å; A893-F897 WeakPolarHBondContact O-CB 3.38Å; A893-F897 WeakPolarHBondContact O-CD2 3.46Å; A893-F897 WeakPolarHBondContact O-CG 3.47Å; A893-F897 PolarHBondContact O-N 2.98Å
894	S	89.8	Confident	89.7	Confident	72 Å²	72	64.2 Å²	64.2	50%	0.503	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-40.4	178.5	-169.9	0	0	0	0	112.6	L890 D891 S898	L890-S894 VanDerWaalsContact O-CB 3.28Å; L890-S894 WeakPolarHBondContact O-CB 3.45Å; L890-S894 PolarHBondContact O-N 3.36Å; D891-S894 PolarHBondContact O-N 2.83Å; S894-S898 PolarHBondContact O-N 3.25Å; S894-S898 PolarHBondContact O-OG 3.01Å
895	E	92.5	Very high	89.8	Confident	132 Å²	132	68.5 Å²	68.5	62%	0.617	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-50.5	173.9	-175.7	163.7	-156.1	0	0	110.6	D891 E892 A893 F897 S898 M899	D891-E895 PolarHBondContact O-N 3.11Å; E892-E895 PolarHBondContact O-N 3.21Å; A893-E895 PolarHBondContact O-N 2.84Å; E895-F897 PolarHBondContact O-N 2.91Å; E895-S898 WeakPolarHBondContact O-CA 3.47Å; E895-S898 WeakPolarHBondContact O-CB 3.28Å; E895-S898 PolarHBondContact O-N 3.03Å; E895-M899 WeakPolarHBondContact O-CG 3.36Å; E895-M899 PolarHBondContact O-N 3.43Å
896	K	94	Very high	89.9	Confident	18 Å²	18	73.8 Å²	73.8	8%	0.078	40%	0.404	C	S	.	.	H	α-helix	trans	-66.3	-33.4	-178.7	-70.9	-175.2	178.4	-161.2	0	113.9	A843 D844 L846 E847 L885 E892 A893 M899 I900	A843-K896 PolarHBondContact O-NZ 2.91Å; D844-K896 PolarHBondContact O-NZ 3.28Å; L846-K896 HydrophobicContact CB-CD 4.18Å; L846-K896 HydrophobicContact CB-CG 4.44Å; L846-K896 HydrophobicContact CD2-CB 3.7Å; L846-K896 HydrophobicContact CD2-CD 4.44Å; L846-K896 HydrophobicContact CD2-CG 4.01Å; L846-K896 WeakPolarHBondContact CD2-O 3.23Å; E847-K896 WeakPolarHBondContact OE1-CE 3.3Å; E847-K896 IonicContact OE1-NZ 2.61Å; E847-K896 PolarHBondContact OE1-NZ 2.8Å; E847-K896 WeakPolarHBondContact OE2-CE 3.41Å; E847-K896 IonicContact OE2-NZ 2.67Å; E847-K896 PolarHBondContact OE2-NZ 3.11Å; L885-K896 HydrophobicContact CD1-CB 3.72Å; L885-K896 HydrophobicContact CD2-CB 3.85Å; L885-K896 HydrophobicContact CD2-CD 3.54Å; L885-K896 HydrophobicContact CD2-CG 4.29Å; L885-K896 HydrophobicContact CG-CB 4.45Å; E892-K896 WeakPolarHBondContact O-CB 3.45Å; E892-K896 VanDerWaalsContact O-CG 3.31Å; E892-K896 WeakPolarHBondContact O-CG 3.26Å; E892-K896 PolarHBondContact O-N 3.34Å; A893-K896 PolarHBondContact O-N 3.14Å; K896-M899 PolarHBondContact O-N 2.91Å; K896-I900 WeakPolarHBondContact O-CG1 3.45Å; K896-I900 PolarHBondContact O-N 3Å; K896-I900 VanDerWaalsContact O-N 3.09Å
897	F	93.1	Very high	90.1	Very high	65 Å²	65	71.5 Å²	71.5	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-43.5	169.1	-65.7	-43.2	0	0	0	111.5	R882 L885 A893 E895 M899 I900 D901	R882-F897 HydrophobicContact CB-CE1 4.02Å; R882-F897 HydrophobicContact CG-CD1 4.06Å; R882-F897 HydrophobicContact CG-CE1 3.95Å; L885-F897 HydrophobicContact CB-CE1 3.9Å; L885-F897 HydrophobicContact CB-CZ 4.01Å; L885-F897 HydrophobicContact CD1-CD1 3.97Å; L885-F897 HydrophobicContact CD1-CE1 3.88Å; A893-F897 HydrophobicContact CB-CD2 4.38Å; A893-F897 HydrophobicContact CB-CE2 3.87Å; A893-F897 HydrophobicContact CB-CZ 4.4Å; A893-F897 WeakPolarHBondContact O-CB 3.38Å; A893-F897 WeakPolarHBondContact O-CD2 3.46Å; A893-F897 WeakPolarHBondContact O-CG 3.47Å; A893-F897 PolarHBondContact O-N 2.98Å; E895-F897 PolarHBondContact O-N 2.91Å; F897-M899 PolarHBondContact O-N 3.07Å; F897-I900 WeakPolarHBondContact O-CB 3.11Å; F897-I900 PolarHBondContact O-N 3.47Å; F897-I900 VanDerWaalsContact O-N 3.14Å; F897-D901 VanDerWaalsContact O-CG 3.3Å; F897-D901 PolarHBondContact O-N 2.91Å
898	S	93.2	Very high	90.3	Very high	73 Å²	73	71.1 Å²	71.1	51%	0.51	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-34.6	177.5	-54.2	0	0	0	0	112.3	S894 E895 A902	S894-S898 PolarHBondContact O-N 3.25Å; S894-S898 PolarHBondContact O-OG 3.01Å; E895-S898 WeakPolarHBondContact O-CA 3.47Å; E895-S898 WeakPolarHBondContact O-CB 3.28Å; E895-S898 PolarHBondContact O-N 3.03Å; S898-A902 WeakPolarHBondContact O-CB 3.28Å; S898-A902 PolarHBondContact O-N 3.45Å; S898-A902 VanDerWaalsContact O-N 3.13Å
899	M	94	Very high	90.3	Very high	50 Å²	50	70 Å²	70	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-68.2	-44.3	173.7	-63.4	177.5	72.3	0	0	112.3	L846 E847 I850 E895 K896 F897 A902 L903	L846-M899 HydrophobicContact CD2-CB 4.43Å; E847-M899 HydrophobicContact CB-CE 4.41Å; E847-M899 HydrophobicContact CG-CE 4.36Å; E847-M899 HydrophobicContact CG-SD 4.35Å; I850-M899 HydrophobicContact CD1-CB 3.79Å; I850-M899 VanDerWaalsContact CD1-O 3.26Å; I850-M899 WeakPolarHBondContact CD1-O 3.38Å; I850-M899 HydrophobicContact CG2-CE 3.94Å; E895-M899 WeakPolarHBondContact O-CG 3.36Å; E895-M899 PolarHBondContact O-N 3.43Å; K896-M899 PolarHBondContact O-N 2.91Å; F897-M899 PolarHBondContact O-N 3.07Å; M899-A902 PolarHBondContact O-N 3.39Å; M899-L903 PolarHBondContact O-N 3.32Å; M899-L903 VanDerWaalsContact O-N 3.08Å
900	I	93.5	Very high	89.5	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-49.7	175.2	-73.4	168.3	0	0	0	110.5	L846 I878 I881 R882 L885 K896 F897 A902 L903 L904	L846-I900 HydrophobicContact CD2-CD1 4.19Å; L846-I900 HydrophobicContact CD2-CG1 3.92Å; I878-I900 HydrophobicContact CD1-CG2 4.38Å; I878-I900 HydrophobicContact CG2-CG2 3.69Å; I881-I900 HydrophobicContact CG2-CD1 3.88Å; R882-I900 HydrophobicContact CG-CD1 3.98Å; L885-I900 HydrophobicContact CD1-CD1 3.88Å; K896-I900 WeakPolarHBondContact O-CG1 3.45Å; K896-I900 PolarHBondContact O-N 3Å; K896-I900 VanDerWaalsContact O-N 3.09Å; F897-I900 WeakPolarHBondContact O-CB 3.11Å; F897-I900 PolarHBondContact O-N 3.47Å; F897-I900 VanDerWaalsContact O-N 3.14Å; I900-A902 VanDerWaalsContact C-N 3.33Å; I900-A902 PolarHBondContact O-N 3.23Å; I900-L903 PolarHBondContact O-N 3.04Å; I900-L904 HydrophobicContact CG2-CD1 3.77Å; I900-L904 HydrophobicContact CG2-CG 4.31Å; I900-L904 VanDerWaalsContact O-CG 3.31Å; I900-L904 WeakPolarHBondContact O-CG 3.41Å; I900-L904 PolarHBondContact O-N 2.79Å
901	D	92.4	Very high	88.3	Confident	74 Å²	74	65.2 Å²	65.2	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-36.3	-175	-62.3	-14.4	0	0	0	111	R882 F897 L904 D905	R882-D901 IonicContact CZ-OD1 2.62Å; R882-D901 IonicContact NH2-OD1 3.64Å; R882-D901 PolarHBondContact NH2-OD1 2.74Å; F897-D901 VanDerWaalsContact O-CG 3.3Å; F897-D901 PolarHBondContact O-N 2.91Å; D901-L904 PolarHBondContact O-N 3.09Å; D901-D905 PolarHBondContact O-N 2.96Å
902	A	93.9	Very high	88.4	Confident	58 Å²	58	61.7 Å²	61.7	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-38.6	172.4	0	0	0	0	0	113.5	S898 M899 I900 E906	S898-A902 WeakPolarHBondContact O-CB 3.28Å; S898-A902 PolarHBondContact O-N 3.45Å; S898-A902 VanDerWaalsContact O-N 3.13Å; M899-A902 PolarHBondContact O-N 3.39Å; I900-A902 VanDerWaalsContact C-N 3.33Å; I900-A902 PolarHBondContact O-N 3.23Å; A902-E906 PolarHBondContact O-N 3.4Å; A902-E906 VanDerWaalsContact O-N 3.08Å
903	L	93	Very high	88.4	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-39.8	173.1	172.8	65.2	0	0	0	111.4	I850 F855 R856 M899 I900 E906 L907	I850-L903 HydrophobicContact CD1-CB 3.97Å; I850-L903 HydrophobicContact CD1-CD2 4.3Å; I850-L903 HydrophobicContact CG1-CB 4.17Å; I850-L903 HydrophobicContact CG1-CD2 3.74Å; I850-L903 HydrophobicContact CG1-CG 4.43Å; F855-L903 HydrophobicContact CD1-CD2 4.11Å; F855-L903 HydrophobicContact CE1-CD2 3.69Å; R856-L903 HydrophobicContact CG-CD1 4.03Å; M899-L903 PolarHBondContact O-N 3.32Å; M899-L903 VanDerWaalsContact O-N 3.08Å; I900-L903 PolarHBondContact O-N 3.04Å; L903-E906 PolarHBondContact O-N 2.82Å; L903-L907 HydrophobicContact CD1-CD1 3.76Å; L903-L907 HydrophobicContact CD1-CG 3.89Å; L903-L907 HydrophobicContact CD2-CD1 4.41Å; L903-L907 HydrophobicContact CG-CD1 3.89Å; L903-L907 HydrophobicContact CG-CG 4.36Å; L903-L907 WeakPolarHBondContact O-CB 3.5Å; L903-L907 WeakPolarHBondContact O-CG 3.44Å; L903-L907 PolarHBondContact O-N 2.93Å
904	L	91.1	Very high	88.3	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-42.7	178.2	-73.2	173.4	0	0	0	111.5	V859 I875 I878 I900 D901 L907 N908 L909 A911	V859-L904 HydrophobicContact CG1-CD2 4.3Å; I875-L904 HydrophobicContact CD1-CD2 3.78Å; I878-L904 HydrophobicContact CG1-CD2 4.39Å; I878-L904 HydrophobicContact CG2-CD1 4.45Å; I900-L904 HydrophobicContact CG2-CD1 3.77Å; I900-L904 HydrophobicContact CG2-CG 4.31Å; I900-L904 VanDerWaalsContact O-CG 3.31Å; I900-L904 WeakPolarHBondContact O-CG 3.41Å; I900-L904 PolarHBondContact O-N 2.79Å; D901-L904 PolarHBondContact O-N 3.09Å; L904-L907 PolarHBondContact O-N 2.85Å; L904-N908 PolarHBondContact O-N 3.01Å; L904-L909 WeakPolarHBondContact CB-O 3.19Å; L904-L909 HydrophobicContact CD2-CB 3.9Å; L904-L909 HydrophobicContact CD2-CD1 4.47Å; L904-L909 WeakPolarHBondContact CD2-O 3.01Å; L904-L909 PolarHBondContact O-N 2.96Å; L904-A911 HydrophobicContact CD1-CB 4.07Å; L904-A911 HydrophobicContact CD2-CB 4.14Å
905	D	90.8	Very high	88.2	Confident	125 Å²	125	62 Å²	62	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-59.2	-48	171.2	-87.8	-14.9	0	0	0	111.7	D901 L907 N908	D901-D905 PolarHBondContact O-N 2.96Å; D905-L907 VanDerWaalsContact C-N 3.34Å; D905-L907 PolarHBondContact O-N 2.96Å; D905-N908 PolarHBondContact O-N 3.37Å
906	E	91.9	Very high	87.9	Confident	116 Å²	116	57.6 Å²	57.6	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-45.1	179	-162.5	-158.2	141.3	0	0	111.7	R856 A902 L903 N908	R856-E906 IonicContact CZ-OE1 3.61Å; R856-E906 IonicContact CZ-OE2 2.78Å; R856-E906 VanDerWaalsContact CZ-OE2 3.28Å; R856-E906 IonicContact NH1-OE1 3.7Å; R856-E906 PolarHBondContact NH1-OE1 2.91Å; R856-E906 IonicContact NH1-OE2 2.74Å; R856-E906 PolarHBondContact NH1-OE2 2.82Å; R856-E906 IonicContact NH2-OE1 3.15Å; R856-E906 IonicContact NH2-OE2 3.82Å; R856-E906 PolarHBondContact NH2-OE2 3.49Å; A902-E906 PolarHBondContact O-N 3.4Å; A902-E906 VanDerWaalsContact O-N 3.08Å; L903-E906 PolarHBondContact O-N 2.82Å; E906-N908 PolarHBondContact O-N 2.83Å; E906-N908 PolarHBondContact O-ND2 3.41Å
907	L	89.3	Confident	87.5	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-76.3	-5.6	178.1	-64.5	176.5	0	0	0	113.6	V859 V860 L903 L904 D905 L909	V859-L907 HydrophobicContact CB-CD1 4.24Å; V859-L907 HydrophobicContact CG1-CD1 3.96Å; V860-L907 HydrophobicContact CG2-CD1 4.14Å; V860-L907 HydrophobicContact CG2-CD2 4.1Å; L903-L907 HydrophobicContact CD1-CD1 3.76Å; L903-L907 HydrophobicContact CD1-CG 3.89Å; L903-L907 HydrophobicContact CD2-CD1 4.41Å; L903-L907 HydrophobicContact CG-CD1 3.89Å; L903-L907 HydrophobicContact CG-CG 4.36Å; L903-L907 WeakPolarHBondContact O-CB 3.5Å; L903-L907 WeakPolarHBondContact O-CG 3.44Å; L903-L907 PolarHBondContact O-N 2.93Å; L904-L907 PolarHBondContact O-N 2.85Å; D905-L907 VanDerWaalsContact C-N 3.34Å; D905-L907 PolarHBondContact O-N 2.96Å; L907-L909 HydrophobicContact CB-CB 4.43Å; L907-L909 HydrophobicContact CB-CD1 3.54Å; L907-L909 HydrophobicContact CB-CG 3.59Å; L907-L909 HydrophobicContact CD1-CD1 3.8Å; L907-L909 HydrophobicContact CG-CD1 4.33Å; L907-L909 WeakPolarHBondContact O-CG 3.31Å
908	N	86	Confident	87.1	Confident	139 Å²	139	59.9 Å²	59.9	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	51.1	-174.2	-65.8	-121	0	0	0	112.3	L904 D905 E906	L904-N908 PolarHBondContact O-N 3.01Å; D905-N908 PolarHBondContact O-N 3.37Å; E906-N908 PolarHBondContact O-N 2.83Å; E906-N908 PolarHBondContact O-ND2 3.41Å
909	L	82.7	Confident	86.7	Confident	19 Å²	19	58.9 Å²	58.9	10%	0.099	33%	0.329	C	S	.	.			trans	-128.2	93.9	-170.9	-60.1	-177.7	0	0	0	113.3	V859 V860 A863 I875 L904 L907 A911	V859-L909 HydrophobicContact CG1-CD1 3.8Å; V860-L909 HydrophobicContact CG2-CD1 4.28Å; A863-L909 HydrophobicContact CB-CD1 4.31Å; A863-L909 HydrophobicContact CB-CD2 4.2Å; I875-L909 HydrophobicContact CD1-CB 4.35Å; I875-L909 HydrophobicContact CD1-CD1 4.29Å; L904-L909 WeakPolarHBondContact CB-O 3.19Å; L904-L909 HydrophobicContact CD2-CB 3.9Å; L904-L909 HydrophobicContact CD2-CD1 4.47Å; L904-L909 WeakPolarHBondContact CD2-O 3.01Å; L904-L909 PolarHBondContact O-N 2.96Å; L907-L909 HydrophobicContact CB-CB 4.43Å; L907-L909 HydrophobicContact CB-CD1 3.54Å; L907-L909 HydrophobicContact CB-CG 3.59Å; L907-L909 HydrophobicContact CD1-CD1 3.8Å; L907-L909 HydrophobicContact CG-CD1 4.33Å; L907-L909 WeakPolarHBondContact O-CG 3.31Å; L909-A911 PolarHBondContact O-N 3.21Å
910	N	68.5	Low	86.1	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	34%	0.336	S	S	.	.			trans	-64.8	115.2	172.2	-58.3	-18.6	0	0	0	112.4	R869 D871	R869-N910 PolarHBondContact NE-O 3.05Å; R869-N910 VanDerWaalsContact NH2-C 3.3Å; R869-N910 PolarHBondContact NH2-O 3.02Å; D871-N910 HydrophobicContact CB-CB 4.33Å; D871-N910 PolarHBondContact OD1-ND2 3.13Å
911	A	59.5	Low	85.4	Confident	42 Å²	42	64.8 Å²	64.8	35%	0.347	37%	0.365	S	S	.	.			trans	-154.1	0	-178.4	0	0	0	0	0	113.6	I875 R882 L904 L909	I875-A911 HydrophobicContact CB-CB 4.44Å; I875-A911 HydrophobicContact CD1-CB 3.53Å; I875-A911 HydrophobicContact CG1-CB 3.72Å; R882-A911 VanDerWaalsContact CZ-O 3.3Å; R882-A911 PolarHBondContact NH1-O 3.35Å; R882-A911 PolarHBondContact NH1-OXT 3.36Å; R882-A911 PolarHBondContact NH2-O 3.2Å; L904-A911 HydrophobicContact CD1-CB 4.07Å; L904-A911 HydrophobicContact CD2-CB 4.14Å; L909-A911 PolarHBondContact O-N 3.21Å

Retrieved 911 of 911 residues in 1658.3 ms (Link to these results)

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