A0A077ZFU0_TRITR Loading...

Anion exchange protein

AlphaFold DB , UniProt , Accession A0A077ZFU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 938 aa.

						>A0A077ZFU0_TRITR|A0A077ZFU0
MLNPPDKNDAMDKVFPHQLFTEMEFQEWRQTARWVKYEEVVEEGGNRWSKPHVATLTLQSLFELRSCFLKGVVILDMSADGLEDVIERAIAKLVKENFLRKSNVAIVRDALLSKHRHQYETNRYHKDGMSTGQSFLQTVRSFADIGRSFSHAKTLNAASEAASAGQLSVPDTRKYISGNYHLYKKLPRDAEASNVLIGQLQSLENRLSVFIRLHKACYFQNLTEVINLCLCLLAFSSFCLVRRDARQSTAKLVADNVAQIFCEVAYQARNREDLLDGLDEFLEQVTVLPPGEWDPSIRIEPPPSVPSQVENTSKLCHITFVVEVFEKSIDDDDALKRTHRLFGGLVKDVKRKIKWYPSDFTVSKIFLAPNFFFARLVQPAMHCRLHAAIENLFSGAICGIMYSLFAGQPLTMIGSTGPVLIFEKVVFDICKQAGLGFLSVRFWINFWSFVILLIIVATDASSMVSYITRFTEESFAALISFIFIFECIAKLLAILDHARLSQGNGSCACMNMNSTDVEHLSAIKWNTDGWLFDDPSTNSTLIDWDKLPLDYCNAASGQLDGTACYKMYDVFLASVILVFGTFTLATMLKCSRNSSYFPSRVRAVLSDFAVIISIVIMVSVDISLDLQTPKLYVPEKFEPTHEGRGWLVNPLPDSSTWWIIPLGLPPAVLLCILLFMDHQITVVIVNRKENKLKKGCGYHLDLLLIAFVCLITGFFGLPIFVAATVMSISHVNALRQLSECQAPGEKPKFIGVREQRVTGILVFLFIAYTNARPLRRLSIYGLPTGLHIPSPYKLFRCPLVRYIARRVRFQLVFLVAVRKLLEFVFTEHELKYLDDKMPDIFLRHKEDVKIKKEKVGPLFENAKNALMTLQSDDNLQISLASGHVMSIPLKTLNRTVSEDKAINLSEEVTRSGLWKHIASSSDMTKHPRRPTGRAMCQW
					

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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	25.4	Very low	28.3	Very low	245 Å²	245	153.5 Å²	153.5	100%	1.207	84%	0.837	S	S	*	*				0	87.5	0	-73.1	178.3	173	0	0	108.3
2	L	28.4	Very low	28.5	Very low	178 Å²	178	154.8 Å²	154.8	93%	0.932	84%	0.843	S	S	*	*			trans	-141.7	127.7	177.8	-84.3	160.2	0	0	0	106.9
3	N	26.5	Very low	29.5	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-53.4	146	-173	-82.1	-22.5	0	0	0	113.4
4	P	29	Very low	30.1	Very low	115 Å²	115	142.2 Å²	142.2	75%	0.747	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-69.5	143	166.3	30.3	-31.4	0	0	0	110.3
5	P	30.1	Very low	30.9	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.7	153	179.2	30.7	-32.3	0	0	0	111.9
6	D	28.7	Very low	31.9	Very low	147 Å²	147	131.1 Å²	131.1	79%	0.786	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-52.6	133.7	-177.6	-107.9	-35.8	0	0	0	114	N8	D6-N8 PolarHBondContact O-N 3.28Å
7	K	30.1	Very low	32.8	Very low	206 Å²	206	123.6 Å²	123.6	90%	0.896	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	10.3	-175.7	-81.7	-178.7	173.7	179.8	0	116
8	N	30.4	Very low	33.9	Very low	143 Å²	143	116.9 Å²	116.9	77%	0.765	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-0.3	-168.2	-70.9	-21.4	0	0	0	116	D6 A10	D6-N8 PolarHBondContact O-N 3.28Å; N8-A10 PolarHBondContact O-N 2.99Å
9	D	27.8	Very low	34.9	Very low	160 Å²	160	110.9 Å²	110.9	86%	0.856	60%	0.601	S	S	*	*	S	Bend	trans	-92.6	82.7	166.5	-76.6	-26.9	0	0	0	109.3	M11	D9-M11 PolarHBondContact O-N 3.42Å
10	A	27.3	Very low	35.8	Very low	97 Å²	97	105.6 Å²	105.6	80%	0.802	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	107.1	177.8	0	0	0	0	0	111.3	N8	N8-A10 PolarHBondContact O-N 2.99Å
11	M	27.8	Very low	36.7	Very low	116 Å²	116	100.6 Å²	100.6	57%	0.571	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	61.5	153.9	-62.2	-164.5	170.3	0	0	119	D9 K13 V309	D9-M11 PolarHBondContact O-N 3.42Å; M11-K13 HydrophobicContact CB-CG 4.17Å; M11-K13 HydrophobicContact CG-CG 4.34Å; M11-K13 PolarHBondContact O-N 3.15Å; M11-K13 HydrophobicContact SD-CD 4.2Å; M11-K13 WeakPolarHBondContact SD-CE 3.39Å; M11-K13 HydrophobicContact SD-CG 4.45Å; M11-V309 HydrophobicContact CE-CG2 4.24Å
12	D	31.1	Very low	38.2	Very low	169 Å²	169	90.8 Å²	90.8	90%	0.904	50%	0.496	S	S	*	.			trans	-82.3	76.9	141.3	-84.1	-17.6	0	0	0	108.1	V14	D12-V14 PolarHBondContact O-N 3.43Å
13	K	40.5	Very low	39.5	Very low	51 Å²	51	83.9 Å²	83.9	22%	0.222	46%	0.459	C	S	.	.			trans	-60.3	130.1	178.4	-77.3	176.7	162.3	-165.7	0	110.3	M11 F15	M11-K13 HydrophobicContact CB-CG 4.17Å; M11-K13 HydrophobicContact CG-CG 4.34Å; M11-K13 PolarHBondContact O-N 3.15Å; M11-K13 HydrophobicContact SD-CD 4.2Å; M11-K13 WeakPolarHBondContact SD-CE 3.39Å; M11-K13 HydrophobicContact SD-CG 4.45Å; K13-F15 HydrophobicContact CB-CE2 4.49Å; K13-F15 HydrophobicContact CB-CZ 4.39Å; K13-F15 WeakPolarHBondContact O-CD2 3.27Å; K13-F15 VanDerWaalsContact O-CE2 3.28Å; K13-F15 WeakPolarHBondContact O-CE2 3.26Å; K13-F15 PolarHBondContact O-N 3.18Å
14	V	38.7	Very low	41	Very low	82 Å²	82	79.6 Å²	79.6	50%	0.497	43%	0.434	S	S	.	.			trans	-63.3	112.2	174.2	179.1	0	0	0	0	108.6	D12 D189	D12-V14 PolarHBondContact O-N 3.43Å; V14-D189 WeakPolarHBondContact CG1-O 3.39Å
15	F	42	Very low	42.4	Very low	74 Å²	74	82.9 Å²	82.9	33%	0.325	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-94	118	175	-66	-78.9	0	0	0	109	K13 H17	K13-F15 HydrophobicContact CB-CE2 4.49Å; K13-F15 HydrophobicContact CB-CZ 4.39Å; K13-F15 WeakPolarHBondContact O-CD2 3.27Å; K13-F15 VanDerWaalsContact O-CE2 3.28Å; K13-F15 WeakPolarHBondContact O-CE2 3.26Å; K13-F15 PolarHBondContact O-N 3.18Å; F15-H17 PolarHBondContact O-N 2.86Å
16	P	47.3	Very low	44.1	Very low	32 Å²	32	85 Å²	85	21%	0.208	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-69.9	127.3	174.6	26.9	-31.6	0	0	0	110.1	E191	P16-E191 CarbonylContact C-O 3.55Å; P16-E191 VanDerWaalsContact CA-O 3.25Å; P16-E191 WeakPolarHBondContact CA-O 3.49Å
17	H	47.3	Very low	46.2	Very low	4 Å²	4	80.7 Å²	80.7	2%	0.019	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.1	172.9	-177.8	42.2	0	0	0	110.2	F15 W34 V35 L186 E191 A192 S193 V225	F15-H17 PolarHBondContact O-N 2.86Å; H17-W34 WeakPolarHBondContact CA-O 3.39Å; H17-W34 PolarHBondContact ND1-O 3.46Å; H17-V35 WeakPolarHBondContact ND1-CG2 3.45Å; H17-L186 HydrophobicContact CB-CD2 4.04Å; H17-E191 PolarHBondContact N-O 3.43Å; H17-A192 CarbonylContact O-C 3.46Å; H17-A192 WeakPolarHBondContact O-CA 3.46Å; H17-A192 WeakPolarHBondContact O-CB 3.28Å; H17-S193 PolarHBondContact O-N 3.46Å; H17-V225 VanDerWaalsContact CD2-CG2 3.45Å; H17-V225 WeakPolarHBondContact CD2-CG2 3.35Å
18	Q	51.6	Low	48.4	Very low	4 Å²	4	70.9 Å²	70.9	2%	0.019	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.7	-175.4	-46.9	-161.7	4.2	0	0	112.3	R33 W34 S193 V253 A254	Q18-R33 CarbonylContact O-C 3.57Å; Q18-R33 WeakPolarHBondContact O-CA 3.4Å; Q18-R33 WeakPolarHBondContact O-CB 3.46Å; Q18-W34 HydrophobicContact CB-CB 4.43Å; Q18-W34 HydrophobicContact CB-CE3 4.15Å; Q18-W34 PolarHBondContact N-O 3.34Å; Q18-W34 PolarHBondContact O-N 2.83Å; Q18-S193 WeakPolarHBondContact CA-O 3.4Å; Q18-V253 VanDerWaalsContact CD-O 3.27Å; Q18-V253 PolarHBondContact NE2-O 2.85Å; Q18-V253 VanDerWaalsContact OE1-CB 3.24Å; Q18-V253 PolarHBondContact OE1-O 3.43Å; Q18-V253 VanDerWaalsContact OE1-O 3.13Å; Q18-A254 HydrophobicContact CB-CB 3.97Å; Q18-A254 VanDerWaalsContact CD-CA 3.42Å; Q18-A254 HydrophobicContact CG-CB 4.16Å; Q18-A254 VanDerWaalsContact OE1-N 3.14Å
19	L	52.8	Low	50.6	Low	3 Å²	3	68 Å²	68	2%	0.016	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.4	-176.8	-165.1	78.5	0	0	0	110.1	T21 Q30 R33 S193 N194 V195	L19-T21 HydrophobicContact CD2-CG2 3.97Å; L19-T21 HydrophobicContact CG-CG2 4.35Å; L19-Q30 HydrophobicContact CD1-CB 4.39Å; L19-Q30 HydrophobicContact CD1-CG 3.74Å; L19-Q30 HydrophobicContact CD2-CG 3.74Å; L19-Q30 HydrophobicContact CG-CG 3.88Å; L19-R33 HydrophobicContact CD1-CB 4.26Å; L19-S193 PolarHBondContact N-O 2.93Å; L19-S193 VanDerWaalsContact N-O 3.07Å; L19-N194 WeakPolarHBondContact CB-OD1 3.06Å; L19-V195 PolarHBondContact O-N 3.05Å
20	F	54	Low	52.8	Low	3 Å²	3	60.7 Å²	60.7	1%	0.013	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123	173	-178.5	-125.7	0	0	0	109.6	Q30 T31 A32 W34 V195 I197 Q247 A250	F20-Q30 CarbonylContact O-C 3.59Å; F20-Q30 WeakPolarHBondContact O-CA 3.35Å; F20-T31 WeakPolarHBondContact CD1-OG1 3.49Å; F20-T31 WeakPolarHBondContact CE1-OG1 3.44Å; F20-T31 PolarHBondContact O-N 2.77Å; F20-T31 PolarHBondContact O-OG1 3.14Å; F20-A32 HydrophobicContact CB-CB 4.03Å; F20-A32 HydrophobicContact CD1-CB 4.13Å; F20-A32 PolarHBondContact N-O 2.79Å; F20-W34 HydrophobicContact CB-CH2 3.97Å; F20-W34 HydrophobicContact CB-CZ3 3.7Å; F20-V195 HydrophobicContact CD2-CB 4.4Å; F20-V195 HydrophobicContact CD2-CG1 4.32Å; F20-I197 HydrophobicContact CD2-CD1 4.46Å; F20-I197 HydrophobicContact CE2-CB 3.89Å; F20-I197 HydrophobicContact CE2-CD1 3.46Å; F20-I197 VanDerWaalsContact CE2-CD1 3.46Å; F20-I197 HydrophobicContact CE2-CG1 3.69Å; F20-I197 HydrophobicContact CZ-CB 4.34Å; F20-I197 HydrophobicContact CZ-CD1 4.11Å; F20-I197 HydrophobicContact CZ-CG1 4.5Å; F20-Q247 HydrophobicContact CE1-CG 4.13Å; F20-A250 HydrophobicContact CB-CB 4.02Å; F20-A250 HydrophobicContact CD2-CB 3.51Å; F20-A250 HydrophobicContact CE2-CB 4.18Å; F20-A250 HydrophobicContact CG-CB 3.87Å
21	T	54.7	Low	55	Low	2 Å²	2	57.3 Å²	57.3	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	-178.8	37.3	0	0	0	0	110.5	L19 W28 R29 Q30 V195 L196 I197	L19-T21 HydrophobicContact CD2-CG2 3.97Å; L19-T21 HydrophobicContact CG-CG2 4.35Å; T21-W28 WeakPolarHBondContact O-CZ3 3.23Å; T21-R29 CarbonylContact C-O 3.55Å; T21-R29 WeakPolarHBondContact CA-O 3.49Å; T21-Q30 HydrophobicContact CG2-CB 4.47Å; T21-Q30 HydrophobicContact CG2-CG 3.85Å; T21-V195 PolarHBondContact N-O 3.45Å; T21-V195 PolarHBondContact OG1-O 3.17Å; T21-L196 WeakPolarHBondContact OG1-CD2 3.35Å; T21-I197 PolarHBondContact O-N 3.47Å
22	E	55.9	Low	57.2	Low	39 Å²	39	51.8 Å²	51.8	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	177.4	-170.9	168	-173.5	0	0	109.8	E24 R29 T31 R246	E22-E24 PolarHBondContact O-N 3.49Å; E22-R29 PolarHBondContact N-O 3.34Å; E22-R29 PolarHBondContact O-N 2.93Å; E22-T31 HydrophobicContact CB-CG2 3.82Å; E22-R246 IonicContact OE1-CZ 2.75Å; E22-R246 IonicContact OE1-NH1 2.68Å; E22-R246 PolarHBondContact OE1-NH1 2.81Å
23	M	56.5	Low	59.4	Low	32 Å²	32	44.6 Å²	44.6	16%	0.158	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109	175.3	-174.5	176.7	-78	0	0	110.1	E27 W28 A110 I197	M23-E27 WeakPolarHBondContact CA-O 3.37Å; M23-W28 HydrophobicContact CB-CD2 4.43Å; M23-W28 HydrophobicContact CB-CE3 4.13Å; M23-W28 HydrophobicContact CB-CH2 4.44Å; M23-W28 HydrophobicContact CB-CZ3 4.14Å; M23-W28 HydrophobicContact CE-CD2 4.19Å; M23-W28 VanDerWaalsContact CE-CE2 3.47Å; M23-W28 HydrophobicContact CE-CH2 4.14Å; M23-W28 HydrophobicContact CE-CZ2 3.44Å; M23-W28 VanDerWaalsContact CE-CZ2 3.44Å; M23-A110 HydrophobicContact CE-CB 3.68Å; M23-A110 WeakPolarHBondContact CE-O 3.47Å; M23-A110 HydrophobicContact SD-CB 4.29Å; M23-I197 PolarHBondContact N-O 3.05Å
24	E	58.4	Low	60.9	Low	69 Å²	69	42.3 Å²	42.3	32%	0.322	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	172.5	-68.5	-171.2	160	0	0	109	E22 Q26 E27 R29	E22-E24 PolarHBondContact O-N 3.49Å; E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 3.5Å; E24-E27 PolarHBondContact N-O 3.15Å; E24-E27 PolarHBondContact O-N 3.07Å; E24-E27 VanDerWaalsContact O-O 3.11Å; E24-R29 VanDerWaalsContact OE2-CD 3.31Å; E24-R29 WeakPolarHBondContact OE2-CD 3.23Å; E24-R29 IonicContact OE2-CZ 3.82Å; E24-R29 IonicContact OE2-NE 3.02Å; E24-R29 IonicContact OE2-NH1 2.89Å; E24-R29 PolarHBondContact OE2-NH1 2.93Å
25	F	57.2	Low	62.3	Low	184 Å²	184	39 Å²	39	81%	0.807	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	42	177.3	-55.3	-81.7	0	0	0	114.6	E27	F25-E27 PolarHBondContact O-N 3.05Å
26	Q	65.6	Low	63.4	Low	169 Å²	169	36.5 Å²	36.5	79%	0.79	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	17	-176.6	-57.7	-177.5	-36	0	0	115.4	E24 S113	E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 3.5Å; Q26-S113 WeakPolarHBondContact O-CB 3.34Å
27	E	73.7	Confident	64.6	Low	56 Å²	56	35.4 Å²	35.4	26%	0.262	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.4	169.3	-62.2	-172.6	152.9	0	0	110.1	M23 E24 F25 R116	M23-E27 WeakPolarHBondContact CA-O 3.37Å; E24-E27 PolarHBondContact N-O 3.15Å; E24-E27 PolarHBondContact O-N 3.07Å; E24-E27 VanDerWaalsContact O-O 3.11Å; F25-E27 PolarHBondContact O-N 3.05Å; E27-R116 IonicContact OE2-NH1 3.46Å; E27-R116 PolarHBondContact OE2-NH1 2.97Å; E27-R116 VanDerWaalsContact OE2-NH1 3.14Å
28	W	76.4	Confident	65.9	Low	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.9	170.4	-70.8	104	0	0	0	109.6	T21 M23 A110 S113 K114 H115 R116 L196 I197 F235	T21-W28 WeakPolarHBondContact O-CZ3 3.23Å; M23-W28 HydrophobicContact CB-CD2 4.43Å; M23-W28 HydrophobicContact CB-CE3 4.13Å; M23-W28 HydrophobicContact CB-CH2 4.44Å; M23-W28 HydrophobicContact CB-CZ3 4.14Å; M23-W28 HydrophobicContact CE-CD2 4.19Å; M23-W28 VanDerWaalsContact CE-CE2 3.47Å; M23-W28 HydrophobicContact CE-CH2 4.14Å; M23-W28 HydrophobicContact CE-CZ2 3.44Å; M23-W28 VanDerWaalsContact CE-CZ2 3.44Å; W28-A110 PolarHBondContact NE1-O 3Å; W28-S113 PolarHBondContact NE1-OG 3.48Å; W28-K114 PolarHBondContact N-O 3.45Å; W28-H115 HydrophobicContact CB-CB 4.39Å; W28-H115 AromaticContact CD1-CE1 3.37Å; W28-H115 AromaticContact CD1-ND1 3.69Å; W28-H115 AromaticContact CD1-NE2 3.74Å; W28-H115 AromaticContact CG-CE1 3.87Å; W28-H115 AromaticContact CG-NE2 3.77Å; W28-H115 AromaticContact NE1-CE1 3.9Å; W28-R116 PolarHBondContact O-N 3.06Å; W28-L196 HydrophobicContact CD2-CD2 3.77Å; W28-L196 HydrophobicContact CE3-CD2 3.68Å; W28-L196 HydrophobicContact CG-CD2 4.4Å; W28-L196 HydrophobicContact CH2-CB 3.85Å; W28-L196 HydrophobicContact CH2-CD2 4.14Å; W28-L196 HydrophobicContact CZ2-CB 4.41Å; W28-L196 HydrophobicContact CZ2-CD2 4.22Å; W28-L196 HydrophobicContact CZ3-CB 3.98Å; W28-L196 HydrophobicContact CZ3-CD2 3.86Å; W28-I197 WeakPolarHBondContact CZ3-O 3.36Å; W28-F235 HydrophobicContact CH2-CE1 4.16Å; W28-F235 HydrophobicContact CH2-CZ 4.41Å; W28-F235 HydrophobicContact CZ2-CE1 4.18Å; W28-F235 HydrophobicContact CZ2-CZ 4.26Å
29	R	75.4	Confident	67.1	Low	82 Å²	82	35.9 Å²	35.9	31%	0.309	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.4	178.7	-68.9	-175.4	179.5	179.5	-4.3	111.2	T21 E22 E24 T31	T21-R29 CarbonylContact C-O 3.55Å; T21-R29 WeakPolarHBondContact CA-O 3.49Å; E22-R29 PolarHBondContact N-O 3.34Å; E22-R29 PolarHBondContact O-N 2.93Å; E24-R29 VanDerWaalsContact OE2-CD 3.31Å; E24-R29 WeakPolarHBondContact OE2-CD 3.23Å; E24-R29 IonicContact OE2-CZ 3.82Å; E24-R29 IonicContact OE2-NE 3.02Å; E24-R29 IonicContact OE2-NH1 2.89Å; E24-R29 PolarHBondContact OE2-NH1 2.93Å; R29-T31 PolarHBondContact O-N 3.27Å
30	Q	74.5	Confident	68.3	Low	6 Å²	6	37.2 Å²	37.2	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.8	171.8	-67.5	175.8	-26.9	0	0	110.8	L19 F20 T21 V41 W48 H117 E224	L19-Q30 HydrophobicContact CD1-CB 4.39Å; L19-Q30 HydrophobicContact CD1-CG 3.74Å; L19-Q30 HydrophobicContact CD2-CG 3.74Å; L19-Q30 HydrophobicContact CG-CG 3.88Å; F20-Q30 CarbonylContact O-C 3.59Å; F20-Q30 WeakPolarHBondContact O-CA 3.35Å; T21-Q30 HydrophobicContact CG2-CB 4.47Å; T21-Q30 HydrophobicContact CG2-CG 3.85Å; Q30-V41 WeakPolarHBondContact O-CG2 3.3Å; Q30-W48 HydrophobicContact CB-CH2 4.17Å; Q30-H117 PolarHBondContact NE2-ND1 3.38Å; Q30-E224 PolarHBondContact NE2-OE1 2.87Å; Q30-E224 PolarHBondContact OE1-OE1 3.19Å
31	T	73.5	Confident	69.5	Low	26 Å²	26	38.7 Å²	38.7	16%	0.16	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-31.9	-178.4	45.1	0	0	0	0	112.4	F20 E22 R29 V40 V41	F20-T31 WeakPolarHBondContact CD1-OG1 3.49Å; F20-T31 WeakPolarHBondContact CE1-OG1 3.44Å; F20-T31 PolarHBondContact O-N 2.77Å; F20-T31 PolarHBondContact O-OG1 3.14Å; E22-T31 HydrophobicContact CB-CG2 3.82Å; R29-T31 PolarHBondContact O-N 3.27Å; T31-V40 WeakPolarHBondContact O-CA 3.49Å; T31-V41 PolarHBondContact O-N 3.41Å
32	A	74.7	Confident	70.5	Confident	1 Å²	1	42 Å²	42	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.5	174.7	0	0	0	0	0	111.8	F20 W34 E39 V40	F20-A32 HydrophobicContact CB-CB 4.03Å; F20-A32 HydrophobicContact CD1-CB 4.13Å; F20-A32 PolarHBondContact N-O 2.79Å; A32-W34 HydrophobicContact CB-CH2 3.6Å; A32-W34 HydrophobicContact CB-CZ2 4.15Å; A32-W34 HydrophobicContact CB-CZ3 4Å; A32-E39 CarbonylContact C-O 3.59Å; A32-E39 WeakPolarHBondContact CA-O 3.12Å; A32-V40 HydrophobicContact CB-CG2 4.16Å
33	R	75.8	Confident	71	Confident	18 Å²	18	47.8 Å²	47.8	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.4	172.8	72.1	-177.7	-173.6	-163.7	-8.2	112	Q18 L19 E39 W48	Q18-R33 CarbonylContact O-C 3.57Å; Q18-R33 WeakPolarHBondContact O-CA 3.4Å; Q18-R33 WeakPolarHBondContact O-CB 3.46Å; L19-R33 HydrophobicContact CD1-CB 4.26Å; R33-E39 HydrophobicContact CG-CB 4.06Å; R33-E39 IonicContact CZ-OE2 3.02Å; R33-E39 PolarHBondContact N-O 3.36Å; R33-E39 IonicContact NE-OE2 3.23Å; R33-E39 PolarHBondContact NE-OE2 3.03Å; R33-E39 IonicContact NH2-OE1 2.68Å; R33-E39 IonicContact NH2-OE2 2.78Å; R33-E39 PolarHBondContact NH2-OE2 3.31Å; R33-E39 PolarHBondContact O-N 3.24Å; R33-W48 HydrophobicContact CB-CH2 4.17Å; R33-W48 HydrophobicContact CB-CZ3 4.22Å; R33-W48 HydrophobicContact CG-CE3 4.12Å; R33-W48 HydrophobicContact CG-CH2 4.03Å; R33-W48 HydrophobicContact CG-CZ3 3.82Å
34	W	73.9	Confident	71.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.6	174.7	-59.9	-106.7	0	0	0	110.5	H17 Q18 F20 A32 E38 A250 K251 A254	H17-W34 WeakPolarHBondContact CA-O 3.39Å; H17-W34 PolarHBondContact ND1-O 3.46Å; Q18-W34 HydrophobicContact CB-CB 4.43Å; Q18-W34 HydrophobicContact CB-CE3 4.15Å; Q18-W34 PolarHBondContact N-O 3.34Å; Q18-W34 PolarHBondContact O-N 2.83Å; F20-W34 HydrophobicContact CB-CH2 3.97Å; F20-W34 HydrophobicContact CB-CZ3 3.7Å; A32-W34 HydrophobicContact CB-CH2 3.6Å; A32-W34 HydrophobicContact CB-CZ2 4.15Å; A32-W34 HydrophobicContact CB-CZ3 4Å; W34-E38 HydrophobicContact CZ2-CG 3.9Å; W34-E38 WeakPolarHBondContact CZ2-OE1 3.35Å; W34-A250 HydrophobicContact CH2-CB 3.63Å; W34-A250 HydrophobicContact CZ3-CB 3.9Å; W34-K251 HydrophobicContact CH2-CG 4.46Å; W34-K251 HydrophobicContact CZ2-CB 4.28Å; W34-K251 HydrophobicContact CZ2-CG 3.59Å; W34-A254 HydrophobicContact CB-CB 3.58Å; W34-A254 HydrophobicContact CD2-CB 3.19Å; W34-A254 HydrophobicContact CE3-CB 3.56Å; W34-A254 HydrophobicContact CG-CB 3.18Å; W34-A254 HydrophobicContact CZ3-CB 4.38Å
35	V	66.3	Low	71.2	Confident	12 Å²	12	48.8 Å²	48.8	7%	0.073	26%	0.26	C	S	.	.	S	Bend	trans	-119.3	-26.1	169.5	-179.8	0	0	0	0	110.2	H17 L182 L186 A742 P743	H17-V35 WeakPolarHBondContact ND1-CG2 3.45Å; V35-L182 HydrophobicContact CG2-CD1 4.49Å; V35-L186 HydrophobicContact CG1-CD2 3.97Å; V35-A742 HydrophobicContact CG1-CB 4.26Å; V35-P743 HydrophobicContact CB-CG 4.18Å; V35-P743 HydrophobicContact CG2-CG 4.36Å
36	K	65.7	Low	71.7	Confident	23 Å²	23	45.3 Å²	45.3	10%	0.1	25%	0.25	C	S	.	.	S	Bend	trans	-170.6	-37.9	176.5	-174.1	169.5	-177.5	166.9	0	109.6	N256 A742 E745	K36-N256 WeakPolarHBondContact CG-OD1 3.46Å; K36-N256 PolarHBondContact O-ND2 2.96Å; K36-N256 PolarHBondContact O-OD1 2.94Å; K36-A742 HydrophobicContact CB-CB 3.97Å; K36-A742 HydrophobicContact CD-CB 4.11Å; K36-E745 VanDerWaalsContact NZ-CD 3.32Å; K36-E745 IonicContact NZ-OE1 3.58Å; K36-E745 PolarHBondContact NZ-OE1 2.77Å; K36-E745 IonicContact NZ-OE2 3.42Å; K36-E745 PolarHBondContact NZ-OE2 3.1Å
37	Y	72.5	Confident	72.2	Confident	8 Å²	8	45.9 Å²	45.9	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-124.3	159.5	173.2	-63.3	-63.4	0	0	0	108.8	H52 V53 P301	Y37-H52 WeakPolarHBondContact CB-O 3.06Å; Y37-V53 HydrophobicContact CD1-CG2 4.39Å; Y37-V53 HydrophobicContact CE1-CG2 4.34Å; Y37-P301 HydrophobicContact CD1-CB 3.82Å; Y37-P301 HydrophobicContact CD2-CB 3.86Å; Y37-P301 HydrophobicContact CD2-CG 4.28Å; Y37-P301 HydrophobicContact CE1-CB 3.38Å; Y37-P301 HydrophobicContact CE2-CB 3.4Å; Y37-P301 VanDerWaalsContact CE2-CB 3.4Å; Y37-P301 HydrophobicContact CE2-CG 4.11Å; Y37-P301 HydrophobicContact CG-CB 4.05Å; Y37-P301 WeakPolarHBondContact OH-CB 3.38Å
38	E	74.7	Confident	72.4	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131	-179.6	-172.9	172.4	-170.9	0	0	110.4	W34 V40 P51 H52 A54 K251	W34-E38 HydrophobicContact CZ2-CG 3.9Å; W34-E38 WeakPolarHBondContact CZ2-OE1 3.35Å; E38-V40 HydrophobicContact CG-CG2 3.81Å; E38-P51 WeakPolarHBondContact O-CA 3.38Å; E38-H52 PolarHBondContact N-O 3.44Å; E38-H52 PolarHBondContact O-CE1 2.9Å; E38-H52 VanDerWaalsContact O-CE1 3.28Å; E38-H52 PolarHBondContact O-N 3.05Å; E38-H52 PolarHBondContact O-ND1 3.09Å; E38-H52 IonicContact OE2-NE2 3.08Å; E38-A54 HydrophobicContact CB-CB 4.04Å; E38-A54 VanDerWaalsContact OE2-CA 3.28Å; E38-A54 WeakPolarHBondContact OE2-CA 3.5Å; E38-A54 VanDerWaalsContact OE2-CB 3.25Å; E38-A54 WeakPolarHBondContact OE2-CB 3.32Å; E38-K251 WeakPolarHBondContact OE1-CE 3.23Å; E38-K251 WeakPolarHBondContact OE2-CE 3.3Å
39	E	77.9	Confident	72.4	Confident	16 Å²	16	45.1 Å²	45.1	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.1	166.2	-68.8	-179.3	135.2	0	0	108.3	A32 R33 W48 P51 P743	A32-E39 CarbonylContact C-O 3.59Å; A32-E39 WeakPolarHBondContact CA-O 3.12Å; R33-E39 HydrophobicContact CG-CB 4.06Å; R33-E39 IonicContact CZ-OE2 3.02Å; R33-E39 PolarHBondContact N-O 3.36Å; R33-E39 IonicContact NE-OE2 3.23Å; R33-E39 PolarHBondContact NE-OE2 3.03Å; R33-E39 IonicContact NH2-OE1 2.68Å; R33-E39 IonicContact NH2-OE2 2.78Å; R33-E39 PolarHBondContact NH2-OE2 3.31Å; R33-E39 PolarHBondContact O-N 3.24Å; E39-W48 HydrophobicContact CB-CE3 4.11Å; E39-W48 WeakPolarHBondContact O-CZ3 3.19Å; E39-P51 HydrophobicContact CG-CB 4.02Å; E39-P743 WeakPolarHBondContact OE1-CB 3.36Å
40	V	77.6	Confident	72.4	Confident	32 Å²	32	48.6 Å²	48.6	19%	0.194	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.5	-176.6	-177.2	0	0	0	0	108.9	T31 A32 E38 S49	T31-V40 WeakPolarHBondContact O-CA 3.49Å; A32-V40 HydrophobicContact CB-CG2 4.16Å; E38-V40 HydrophobicContact CG-CG2 3.81Å; V40-S49 PolarHBondContact N-OG 2.83Å; V40-S49 WeakPolarHBondContact O-CB 3.46Å; V40-S49 PolarHBondContact O-N 2.92Å; V40-S49 PolarHBondContact O-OG 3.5Å
41	V	78.3	Confident	72.5	Confident	34 Å²	34	49.7 Å²	49.7	21%	0.206	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-71.9	126.4	173.2	-179.3	0	0	0	0	109.4	Q30 T31 W48	Q30-V41 WeakPolarHBondContact O-CG2 3.3Å; T31-V41 PolarHBondContact O-N 3.41Å; V41-W48 HydrophobicContact CG2-CD2 4.38Å; V41-W48 HydrophobicContact CG2-CE3 3.88Å; V41-W48 HydrophobicContact CG2-CH2 3.9Å; V41-W48 HydrophobicContact CG2-CZ2 4.39Å; V41-W48 HydrophobicContact CG2-CZ3 3.62Å
42	E	75.6	Confident	72.5	Confident	71 Å²	71	49.4 Å²	49.4	33%	0.332	26%	0.262	S	S	.	.			trans	-74.6	134.4	-176.5	-62.8	-171	150	0	0	111.7	G44 G45 R47 R298	E42-G44 PolarHBondContact O-N 3.41Å; E42-G44 VanDerWaalsContact O-N 3.09Å; E42-G45 PolarHBondContact O-N 3.31Å; E42-G45 VanDerWaalsContact O-O 3.08Å; E42-R47 PolarHBondContact N-O 3.06Å; E42-R298 IonicContact OE1-CZ 2.89Å; E42-R298 IonicContact OE1-NH1 2.65Å; E42-R298 PolarHBondContact OE1-NH1 2.74Å; E42-R298 IonicContact OE1-NH2 3.14Å; E42-R298 PolarHBondContact OE1-NH2 3.47Å
43	E	66.7	Low	72.5	Confident	160 Å²	160	51.1 Å²	51.1	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	114.3	177.3	-65.4	-171.1	156.2	0	0	110	R243	E43-R243 IonicContact OE1-CZ 3.63Å; E43-R243 VanDerWaalsContact OE1-CZ 3.32Å; E43-R243 IonicContact OE1-NH1 3.32Å; E43-R243 PolarHBondContact OE1-NH1 3.24Å; E43-R243 IonicContact OE1-NH2 3.47Å; E43-R243 PolarHBondContact OE1-NH2 3.28Å
44	G	60.7	Low	72.3	Confident	96 Å²	96	50.6 Å²	50.6	99%	0.99	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-2.1	-177.7	0	0	0	0	0	115.9	E42	E42-G44 PolarHBondContact O-N 3.41Å; E42-G44 VanDerWaalsContact O-N 3.09Å
45	G	58	Low	72.1	Confident	26 Å²	26	51.6 Å²	51.6	27%	0.268	28%	0.279	S	S	.	.			trans	-126	131.1	177.4	0	0	0	0	0	112.8	E42 R47	E42-G45 PolarHBondContact O-N 3.31Å; E42-G45 VanDerWaalsContact O-O 3.08Å; G45-R47 PolarHBondContact O-N 3.23Å
46	N	68.8	Low	72.3	Confident	111 Å²	111	52.7 Å²	52.7	59%	0.594	28%	0.284	S	S	*	.	S	Bend	trans	-71.1	36.7	170.4	-80.3	-19.9	0	0	0	113	Q118	N46-Q118 VanDerWaalsContact CB-NE2 3.26Å; N46-Q118 PolarHBondContact O-NE2 3.31Å
47	R	75.2	Confident	72.4	Confident	181 Å²	181	54.4 Å²	54.4	68%	0.683	30%	0.296	S	S	*	.	S	Bend	trans	-131.4	141.5	-170.6	-168.3	-168.3	171.6	175.7	-0	111	E42 G45	E42-R47 PolarHBondContact N-O 3.06Å; G45-R47 PolarHBondContact O-N 3.23Å
48	W	77.5	Confident	72.4	Confident	35 Å²	35	57.4 Å²	57.4	13%	0.133	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-67.5	140.1	167.4	-64.2	103.5	0	0	0	111.9	Q30 R33 E39 V41 Q118	Q30-W48 HydrophobicContact CB-CH2 4.17Å; R33-W48 HydrophobicContact CB-CH2 4.17Å; R33-W48 HydrophobicContact CB-CZ3 4.22Å; R33-W48 HydrophobicContact CG-CE3 4.12Å; R33-W48 HydrophobicContact CG-CH2 4.03Å; R33-W48 HydrophobicContact CG-CZ3 3.82Å; E39-W48 HydrophobicContact CB-CE3 4.11Å; E39-W48 WeakPolarHBondContact O-CZ3 3.19Å; V41-W48 HydrophobicContact CG2-CD2 4.38Å; V41-W48 HydrophobicContact CG2-CE3 3.88Å; V41-W48 HydrophobicContact CG2-CH2 3.9Å; V41-W48 HydrophobicContact CG2-CZ2 4.39Å; V41-W48 HydrophobicContact CG2-CZ3 3.62Å; W48-Q118 HydrophobicContact CZ2-CB 3.9Å; W48-Q118 HydrophobicContact CZ2-CG 4.46Å
49	S	77.6	Confident	72.2	Confident	5 Å²	5	63 Å²	63	4%	0.035	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.2	171.4	174.3	71.7	0	0	0	0	112.5	V40	V40-S49 PolarHBondContact N-OG 2.83Å; V40-S49 WeakPolarHBondContact O-CB 3.46Å; V40-S49 PolarHBondContact O-N 2.92Å; V40-S49 PolarHBondContact O-OG 3.5Å
50	K	75.5	Confident	71.7	Confident	156 Å²	156	62.3 Å²	62.3	68%	0.678	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.3	138.3	167.5	-69.2	-178.3	-176.7	174.9	0	109.2	H52	K50-H52 PolarHBondContact O-N 3.49Å; K50-H52 PolarHBondContact O-ND1 3.46Å
51	P	76.6	Confident	71.4	Confident	29 Å²	29	60.9 Å²	60.9	19%	0.188	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-59.5	130	175.9	22.6	-32.4	0	0	0	110.7	E38 E39 P743	E38-P51 WeakPolarHBondContact O-CA 3.38Å; E39-P51 HydrophobicContact CG-CB 4.02Å; P51-P743 HydrophobicContact CB-CB 4.21Å; P51-P743 VanDerWaalsContact CB-O 3.27Å; P51-P743 WeakPolarHBondContact CB-O 3.48Å; P51-P743 VanDerWaalsContact CG-C 3.43Å; P51-P743 HydrophobicContact CG-CB 4.17Å
52	H	73.6	Confident	71.3	Confident	19 Å²	19	63.8 Å²	63.8	9%	0.088	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-139.4	161.4	-177.5	55.7	-74.5	0	0	0	111	Y37 E38 K50 A54 R298 I299	Y37-H52 WeakPolarHBondContact CB-O 3.06Å; E38-H52 PolarHBondContact N-O 3.44Å; E38-H52 PolarHBondContact O-CE1 2.9Å; E38-H52 VanDerWaalsContact O-CE1 3.28Å; E38-H52 PolarHBondContact O-N 3.05Å; E38-H52 PolarHBondContact O-ND1 3.09Å; E38-H52 IonicContact OE2-NE2 3.08Å; K50-H52 PolarHBondContact O-N 3.49Å; K50-H52 PolarHBondContact O-ND1 3.46Å; H52-A54 PolarHBondContact O-N 2.8Å; H52-R298 HydrophobicContact CB-CB 3.83Å; H52-R298 HydrophobicContact CB-CG 4.34Å; H52-I299 WeakPolarHBondContact CA-O 3.38Å; H52-I299 WeakPolarHBondContact CB-O 3.24Å
53	V	75.1	Confident	71.1	Confident	37 Å²	37	61.7 Å²	61.7	22%	0.224	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-67.5	130.2	174.7	-175.5	0	0	0	0	108.5	Y37 I299	Y37-V53 HydrophobicContact CD1-CG2 4.39Å; Y37-V53 HydrophobicContact CE1-CG2 4.34Å; V53-I299 HydrophobicContact CB-CB 4.08Å; V53-I299 HydrophobicContact CB-CG2 4.18Å; V53-I299 HydrophobicContact CG2-CB 4.35Å; V53-I299 HydrophobicContact CG2-CG2 3.98Å; V53-I299 PolarHBondContact N-O 3.05Å
54	A	71	Confident	71.4	Confident	7 Å²	7	54.2 Å²	54.2	6%	0.058	29%	0.292	C	S	.	.			trans	-70	135.9	179.3	0	0	0	0	0	109.6	E38 H52 K251 D255	E38-A54 HydrophobicContact CB-CB 4.04Å; E38-A54 VanDerWaalsContact OE2-CA 3.28Å; E38-A54 WeakPolarHBondContact OE2-CA 3.5Å; E38-A54 VanDerWaalsContact OE2-CB 3.25Å; E38-A54 WeakPolarHBondContact OE2-CB 3.32Å; H52-A54 PolarHBondContact O-N 2.8Å; A54-K251 HydrophobicContact CB-CG 4.41Å; A54-D255 HydrophobicContact CB-CB 4.48Å
55	T	70.2	Confident	72.3	Confident	24 Å²	24	54 Å²	54	15%	0.147	26%	0.261	C	S	.	.			trans	-106.9	118.4	176	53.9	0	0	0	0	109.4	K251 L288 I299	T55-K251 VanDerWaalsContact O-CD 3.32Å; T55-K251 WeakPolarHBondContact O-CD 3.3Å; T55-K251 PolarHBondContact O-NZ 2.84Å; T55-L288 HydrophobicContact CG2-CD1 4.14Å; T55-I299 HydrophobicContact CG2-CD1 3.93Å
56	L	68.7	Low	73.3	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.178	27%	0.266	C	S	.	.			trans	-98.1	138.6	178	-77.6	164.2	0	0	0	110.7	S248 K251 L252 F281	L56-S248 WeakPolarHBondContact CD2-O 3.49Å; L56-K251 HydrophobicContact CD2-CB 3.36Å; L56-K251 HydrophobicContact CD2-CD 4.38Å; L56-K251 HydrophobicContact CD2-CG 4.49Å; L56-K251 HydrophobicContact CG-CB 4Å; L56-L252 HydrophobicContact CD2-CB 4.14Å; L56-F281 HydrophobicContact CD1-CE1 4.06Å; L56-F281 HydrophobicContact CD1-CZ 3.81Å
57	T	69.1	Low	73.7	Confident	59 Å²	59	50.6 Å²	50.6	36%	0.362	24%	0.242	S	C	.	.			trans	-94.9	140.8	174.2	63.3	0	0	0	0	109.9	Q59 S60	T57-Q59 PolarHBondContact O-N 3.43Å; T57-S60 WeakPolarHBondContact O-CB 3.29Å; T57-S60 PolarHBondContact O-N 3.19Å; T57-S60 VanDerWaalsContact O-N 3.12Å; T57-S60 PolarHBondContact O-OG 2.68Å; T57-S60 WeakPolarHBondContact OG1-CB 3.43Å; T57-S60 PolarHBondContact OG1-OG 3.02Å
58	L	71.9	Confident	73.9	Confident	72 Å²	72	42.1 Å²	42.1	38%	0.377	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-34.2	178.3	-171.6	70.1	0	0	0	112.6	S60 L61 F62 L282 V287	L58-S60 PolarHBondContact O-N 2.75Å; L58-L61 HydrophobicContact CD1-CD1 4.29Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.43Å; L58-F62 HydrophobicContact CD1-CE2 4.17Å; L58-F62 HydrophobicContact CD1-CZ 4.12Å; L58-F62 HydrophobicContact CD2-CE2 3.73Å; L58-F62 HydrophobicContact CD2-CZ 4.11Å; L58-F62 HydrophobicContact CG-CD2 4.21Å; L58-F62 HydrophobicContact CG-CE2 3.53Å; L58-F62 HydrophobicContact CG-CZ 3.97Å; L58-F62 WeakPolarHBondContact O-CD2 3.45Å; L58-F62 PolarHBondContact O-N 2.74Å; L58-L282 HydrophobicContact CD1-CD2 4.1Å; L58-V287 HydrophobicContact CB-CG1 4.5Å; L58-V287 HydrophobicContact CD1-CG2 4.35Å
59	Q	70.3	Confident	74.2	Confident	119 Å²	119	44.3 Å²	44.3	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-56.5	-41	177.5	179.9	58.6	21.9	0	0	112.1	T57 F62 E63	T57-Q59 PolarHBondContact O-N 3.43Å; Q59-F62 PolarHBondContact O-N 3.38Å; Q59-E63 PolarHBondContact O-N 3.27Å; Q59-E63 VanDerWaalsContact O-N 3.14Å
60	S	68.2	Low	74.4	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-71.1	-31.8	-178.5	65.2	0	0	0	0	115.8	T57 L58 F62 E63 L64 S248	T57-S60 WeakPolarHBondContact O-CB 3.29Å; T57-S60 PolarHBondContact O-N 3.19Å; T57-S60 VanDerWaalsContact O-N 3.12Å; T57-S60 PolarHBondContact O-OG 2.68Å; T57-S60 WeakPolarHBondContact OG1-CB 3.43Å; T57-S60 PolarHBondContact OG1-OG 3.02Å; L58-S60 PolarHBondContact O-N 2.75Å; S60-F62 VanDerWaalsContact C-N 3.3Å; S60-E63 PolarHBondContact O-N 2.82Å; S60-L64 PolarHBondContact O-N 2.7Å; S60-S248 WeakPolarHBondContact CB-OG 3.17Å; S60-S248 WeakPolarHBondContact OG-CB 3.36Å; S60-S248 PolarHBondContact OG-OG 3.06Å
61	L	71.3	Confident	74.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-44.2	173.7	-84.2	150.6	0	0	0	110.1	L58 E63 L64 R65 L252 L278 F281 L282	L58-L61 HydrophobicContact CD1-CD1 4.29Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.43Å; L61-E63 PolarHBondContact O-N 3.1Å; L61-L64 PolarHBondContact O-N 2.72Å; L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 2.77Å; L61-L252 HydrophobicContact CD2-CD1 3.02Å; L61-L252 HydrophobicContact CD2-CG 4.39Å; L61-L252 HydrophobicContact CG-CD1 3.84Å; L61-L278 HydrophobicContact CD2-CD1 3.97Å; L61-F281 HydrophobicContact CD2-CD1 3.85Å; L61-F281 HydrophobicContact CD2-CE1 3.82Å; L61-L282 HydrophobicContact CB-CD2 3.95Å; L61-L282 HydrophobicContact CD1-CD2 3.67Å; L61-L282 HydrophobicContact CD2-CD2 3.62Å; L61-L282 HydrophobicContact CD2-CG 4.07Å; L61-L282 HydrophobicContact CG-CD2 3.98Å
62	F	75	Confident	75	Confident	96 Å²	96	43.7 Å²	43.7	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-33.5	176.1	-64.4	-46.6	0	0	0	113.4	L58 Q59 S60 S66	L58-F62 HydrophobicContact CD1-CE2 4.17Å; L58-F62 HydrophobicContact CD1-CZ 4.12Å; L58-F62 HydrophobicContact CD2-CE2 3.73Å; L58-F62 HydrophobicContact CD2-CZ 4.11Å; L58-F62 HydrophobicContact CG-CD2 4.21Å; L58-F62 HydrophobicContact CG-CE2 3.53Å; L58-F62 HydrophobicContact CG-CZ 3.97Å; L58-F62 WeakPolarHBondContact O-CD2 3.45Å; L58-F62 PolarHBondContact O-N 2.74Å; Q59-F62 PolarHBondContact O-N 3.38Å; S60-F62 VanDerWaalsContact C-N 3.3Å; F62-S66 WeakPolarHBondContact O-CB 3.14Å; F62-S66 PolarHBondContact O-N 3.09Å; F62-S66 PolarHBondContact O-OG 2.88Å
63	E	72.3	Confident	75.5	Confident	27 Å²	27	43.8 Å²	43.8	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-42.2	171.9	-74.7	-168.3	-153.1	0	0	112.2	Q59 S60 L61 S66 C67 R206	Q59-E63 PolarHBondContact O-N 3.27Å; Q59-E63 VanDerWaalsContact O-N 3.14Å; S60-E63 PolarHBondContact O-N 2.82Å; L61-E63 PolarHBondContact O-N 3.1Å; E63-S66 CarbonylContact O-C 3.59Å; E63-S66 WeakPolarHBondContact O-CA 3.36Å; E63-S66 WeakPolarHBondContact O-CB 3.47Å; E63-S66 PolarHBondContact O-N 2.93Å; E63-S66 VanDerWaalsContact O-N 3.16Å; E63-C67 PolarHBondContact O-N 2.74Å; E63-R206 IonicContact OE2-CZ 3.75Å; E63-R206 IonicContact OE2-NH1 3.19Å; E63-R206 PolarHBondContact OE2-NH1 3.02Å; E63-R206 IonicContact OE2-NH2 3.34Å
64	L	73.1	Confident	76	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-44.2	175.7	-175	70	0	0	0	111.1	S60 L61 S66 C67 F68 T249 L252 L278	S60-L64 PolarHBondContact O-N 2.7Å; L61-L64 PolarHBondContact O-N 2.72Å; L64-S66 PolarHBondContact O-N 2.77Å; L64-C67 CarbonylContact O-C 3.48Å; L64-C67 WeakPolarHBondContact O-CA 3.42Å; L64-C67 VanDerWaalsContact O-CB 3.3Å; L64-C67 WeakPolarHBondContact O-CB 3.5Å; L64-C67 PolarHBondContact O-N 2.89Å; L64-F68 HydrophobicContact CD1-CE2 4.02Å; L64-F68 HydrophobicContact CD1-CZ 4.12Å; L64-F68 HydrophobicContact CD2-CE2 3.79Å; L64-F68 HydrophobicContact CD2-CZ 4.38Å; L64-F68 HydrophobicContact CG-CD2 4.1Å; L64-F68 HydrophobicContact CG-CE2 3.63Å; L64-F68 HydrophobicContact CG-CZ 4.23Å; L64-F68 PolarHBondContact O-N 3.32Å; L64-T249 HydrophobicContact CB-CG2 4.33Å; L64-T249 HydrophobicContact CD1-CG2 3.98Å; L64-L252 HydrophobicContact CD2-CB 4.02Å; L64-L252 HydrophobicContact CD2-CD1 3.59Å; L64-L252 HydrophobicContact CD2-CD2 3.22Å; L64-L252 HydrophobicContact CD2-CG 3.77Å; L64-L278 HydrophobicContact CD2-CD1 4.16Å
65	R	79.4	Confident	76.6	Confident	92 Å²	92	44.4 Å²	44.4	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-53.9	-43.7	172.1	-170.2	175.3	173.1	-81.5	-3.4	111	L61 C67 F68 L69 L275 L278 D279	L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 2.77Å; R65-C67 VanDerWaalsContact C-N 3.33Å; R65-C67 PolarHBondContact O-N 2.82Å; R65-F68 PolarHBondContact O-N 2.85Å; R65-L69 HydrophobicContact CG-CD1 4.12Å; R65-L69 WeakPolarHBondContact O-CB 3.39Å; R65-L69 WeakPolarHBondContact O-CG 3.4Å; R65-L69 PolarHBondContact O-N 3.34Å; R65-L275 HydrophobicContact CG-CD2 4.07Å; R65-L278 HydrophobicContact CB-CD2 3.53Å; R65-L278 HydrophobicContact CG-CD2 4.02Å; R65-D279 IonicContact NE-OD1 2.79Å
66	S	79.3	Confident	77.3	Confident	52 Å²	52	47.2 Å²	47.2	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-34.7	175.7	-60.1	0	0	0	0	112.7	F62 E63 L64 L69 K70	F62-S66 WeakPolarHBondContact O-CB 3.14Å; F62-S66 PolarHBondContact O-N 3.09Å; F62-S66 PolarHBondContact O-OG 2.88Å; E63-S66 CarbonylContact O-C 3.59Å; E63-S66 WeakPolarHBondContact O-CA 3.36Å; E63-S66 WeakPolarHBondContact O-CB 3.47Å; E63-S66 PolarHBondContact O-N 2.93Å; E63-S66 VanDerWaalsContact O-N 3.16Å; L64-S66 PolarHBondContact O-N 2.77Å; S66-L69 PolarHBondContact O-N 3.06Å; S66-K70 WeakPolarHBondContact O-CB 3.48Å; S66-K70 PolarHBondContact O-N 2.72Å
67	C	76.7	Confident	77.9	Confident	13 Å²	13	46.1 Å²	46.1	9%	0.088	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-39.3	173.5	-77.3	0	0	0	0	113	E63 L64 R65 G71 R206	E63-C67 PolarHBondContact O-N 2.74Å; L64-C67 CarbonylContact O-C 3.48Å; L64-C67 WeakPolarHBondContact O-CA 3.42Å; L64-C67 VanDerWaalsContact O-CB 3.3Å; L64-C67 WeakPolarHBondContact O-CB 3.5Å; L64-C67 PolarHBondContact O-N 2.89Å; R65-C67 VanDerWaalsContact C-N 3.33Å; R65-C67 PolarHBondContact O-N 2.82Å; C67-G71 WeakPolarHBondContact O-CA 3.43Å; C67-G71 PolarHBondContact O-N 3.48Å; C67-R206 PolarHBondContact SG-NH2 3.13Å
68	F	79	Confident	78.5	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-35.1	174.1	-69.7	-46.8	0	0	0	112.5	L64 R65 F210 L232 F261 L274 L275 L278	L64-F68 HydrophobicContact CD1-CE2 4.02Å; L64-F68 HydrophobicContact CD1-CZ 4.12Å; L64-F68 HydrophobicContact CD2-CE2 3.79Å; L64-F68 HydrophobicContact CD2-CZ 4.38Å; L64-F68 HydrophobicContact CG-CD2 4.1Å; L64-F68 HydrophobicContact CG-CE2 3.63Å; L64-F68 HydrophobicContact CG-CZ 4.23Å; L64-F68 PolarHBondContact O-N 3.32Å; R65-F68 PolarHBondContact O-N 2.85Å; F68-F210 HydrophobicContact CE1-CB 4.24Å; F68-F210 AromaticContact CE1-CD2 3.61Å; F68-F210 HydrophobicContact CE1-CD2 3.61Å; F68-F210 HydrophobicContact CE1-CE2 4.03Å; F68-F210 AromaticContact CE1-CG 3.96Å; F68-F210 HydrophobicContact CE1-CG 3.96Å; F68-F210 HydrophobicContact CZ-CD2 4.25Å; F68-F210 HydrophobicContact CZ-CE2 4.32Å; F68-L232 HydrophobicContact CZ-CD1 4.49Å; F68-F261 AromaticContact CE2-CE2 3.95Å; F68-F261 HydrophobicContact CE2-CE2 3.95Å; F68-F261 AromaticContact CE2-CZ 3.57Å; F68-F261 HydrophobicContact CE2-CZ 3.57Å; F68-F261 HydrophobicContact CZ-CE1 4.3Å; F68-F261 HydrophobicContact CZ-CE2 4.33Å; F68-F261 AromaticContact CZ-CZ 3.51Å; F68-F261 HydrophobicContact CZ-CZ 3.51Å; F68-L274 HydrophobicContact CD1-CD1 4.32Å; F68-L274 HydrophobicContact CE1-CD1 4.34Å; F68-L275 HydrophobicContact CB-CD2 3.68Å; F68-L275 HydrophobicContact CB-CG 4.32Å; F68-L278 HydrophobicContact CD2-CD2 4.23Å
69	L	84.7	Confident	78.6	Confident	81 Å²	81	43.7 Å²	43.7	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-45	177.3	-76.8	168.4	0	0	0	113.5	R65 S66 L275	R65-L69 HydrophobicContact CG-CD1 4.12Å; R65-L69 WeakPolarHBondContact O-CB 3.39Å; R65-L69 WeakPolarHBondContact O-CG 3.4Å; R65-L69 PolarHBondContact O-N 3.34Å; S66-L69 PolarHBondContact O-N 3.06Å; L69-L275 HydrophobicContact CD2-CD1 3.47Å; L69-L275 VanDerWaalsContact CD2-CD1 3.47Å; L69-L275 HydrophobicContact CD2-CD2 4.17Å; L69-L275 HydrophobicContact CD2-CG 4.49Å; L69-L275 HydrophobicContact CG-CD1 4.08Å; L69-L275 HydrophobicContact CG-CD2 3.85Å
70	K	82.2	Confident	78.8	Confident	158 Å²	158	45.8 Å²	45.8	69%	0.687	24%	0.239	S	C	*	.	H	α-helix	trans	-103.2	-16.1	-172.5	-62.7	-178.8	179.4	178.1	0	114	S66 F98	S66-K70 WeakPolarHBondContact O-CB 3.48Å; S66-K70 PolarHBondContact O-N 2.72Å; K70-F98 WeakPolarHBondContact O-CZ 3.33Å
71	G	78.6	Confident	79.2	Confident	13 Å²	13	47 Å²	47	13%	0.134	25%	0.252	C	S	.	.	S	Bend	trans	-85.3	173.6	-175.5	0	0	0	0	0	114.4	C67 S208	C67-G71 WeakPolarHBondContact O-CA 3.43Å; C67-G71 PolarHBondContact O-N 3.48Å; G71-S208 CarbonylContact C-O 3.45Å; G71-S208 WeakPolarHBondContact CA-O 3.37Å; G71-S208 VanDerWaalsContact CA-OG 3.23Å; G71-S208 WeakPolarHBondContact CA-OG 3.07Å
72	V	85	Confident	79.5	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.5	175.6	177.5	0	0	0	0	109.4	I74 K92 L93 E96 F98 S208 V209 F210	V72-I74 HydrophobicContact CG1-CD1 4.41Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; V72-K92 HydrophobicContact CG1-CB 4.08Å; V72-K92 HydrophobicContact CG1-CD 3.45Å; V72-K92 VanDerWaalsContact CG1-CD 3.45Å; V72-K92 HydrophobicContact CG1-CG 3.64Å; V72-L93 HydrophobicContact CB-CD2 4.42Å; V72-L93 HydrophobicContact CG2-CD2 3.8Å; V72-L93 HydrophobicContact CG2-CG 4.48Å; V72-E96 HydrophobicContact CG2-CB 4.45Å; V72-E96 HydrophobicContact CG2-CG 4.32Å; V72-F98 HydrophobicContact CG2-CD2 3.62Å; V72-F98 HydrophobicContact CG2-CE2 3.79Å; V72-S208 PolarHBondContact N-O 2.99Å; V72-V209 HydrophobicContact CB-CG1 4.49Å; V72-V209 HydrophobicContact CB-CG2 4.34Å; V72-V209 HydrophobicContact CG1-CG1 4.48Å; V72-V209 CarbonylContact O-C 3.47Å; V72-V209 VanDerWaalsContact O-CA 3.23Å; V72-V209 WeakPolarHBondContact O-CA 3.16Å; V72-F210 PolarHBondContact O-N 3.38Å
73	V	84.3	Confident	79.9	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.9	175.2	-177.4	0	0	0	0	109.2	L75 K92 F210 R271 L274	V73-L75 HydrophobicContact CG1-CD2 3.98Å; V73-L75 HydrophobicContact CG1-CG 4Å; V73-K92 PolarHBondContact O-NZ 3.2Å; V73-F210 HydrophobicContact CG1-CD1 3.91Å; V73-F210 HydrophobicContact CG2-CB 4.43Å; V73-R271 HydrophobicContact CG2-CB 4.46Å; V73-L274 HydrophobicContact CG1-CD1 3.8Å
74	I	86.3	Confident	80.4	Confident	19 Å²	19	52 Å²	52	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	109.6	175	-46.2	-178.4	0	0	0	108.3	V72 M77 K92 V209 F210 I211 R212	V72-I74 HydrophobicContact CG1-CD1 4.41Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; I74-M77 HydrophobicContact CB-CE 4Å; I74-M77 HydrophobicContact CD1-CE 3.52Å; I74-M77 HydrophobicContact CG1-CE 4.33Å; I74-M77 HydrophobicContact CG2-CB 4.2Å; I74-M77 HydrophobicContact CG2-CE 3.57Å; I74-K92 HydrophobicContact CD1-CB 4.22Å; I74-K92 HydrophobicContact CD1-CD 3.64Å; I74-K92 HydrophobicContact CG1-CD 3.54Å; I74-V209 HydrophobicContact CD1-CG1 4.37Å; I74-F210 PolarHBondContact N-O 3.49Å; I74-I211 WeakPolarHBondContact O-CA 3.06Å; I74-R212 PolarHBondContact O-N 3.29Å
75	L	84	Confident	80.9	Confident	39 Å²	39	52.1 Å²	52.1	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.2	176.2	-57.8	175.3	0	0	0	109	V73 M77 F210 R212 R269 L274	V73-L75 HydrophobicContact CG1-CD2 3.98Å; V73-L75 HydrophobicContact CG1-CG 4Å; L75-M77 PolarHBondContact O-N 3.08Å; L75-F210 HydrophobicContact CD2-CD1 4.22Å; L75-F210 HydrophobicContact CD2-CE1 3.88Å; L75-R212 HydrophobicContact CD2-CB 4.23Å; L75-R269 VanDerWaalsContact CD1-C 3.48Å; L75-R269 VanDerWaalsContact CD1-O 3.26Å; L75-R269 WeakPolarHBondContact CD1-O 3.44Å; L75-L274 HydrophobicContact CD2-CD1 4.37Å
76	D	82.9	Confident	81.1	Confident	82 Å²	82	48 Å²	48	44%	0.439	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.2	48.4	174.4	-53.6	-37.8	0	0	0	115.5	S78 R212 H214	D76-S78 PolarHBondContact O-N 3.27Å; D76-R212 WeakPolarHBondContact CA-O 3.41Å; D76-R212 PolarHBondContact N-O 3.25Å; D76-R212 IonicContact OD1-CZ 3.85Å; D76-R212 VanDerWaalsContact OD1-CZ 3.23Å; D76-R212 IonicContact OD1-NE 3.71Å; D76-R212 PolarHBondContact OD1-NE 3.37Å; D76-R212 IonicContact OD1-NH2 2.79Å; D76-R212 PolarHBondContact OD1-NH2 3.36Å; D76-R212 IonicContact OD2-CZ 3.53Å; D76-R212 IonicContact OD2-NH2 3.44Å; D76-R212 PolarHBondContact OD2-NH2 2.98Å; D76-H214 HydrophobicContact CB-CB 4.37Å
77	M	82.6	Confident	81.4	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127	173.8	-170.6	-172.6	-61.3	0	0	111	I74 L75 A79 V85 R88 I211 R212 L213 H214	I74-M77 HydrophobicContact CB-CE 4Å; I74-M77 HydrophobicContact CD1-CE 3.52Å; I74-M77 HydrophobicContact CG1-CE 4.33Å; I74-M77 HydrophobicContact CG2-CB 4.2Å; I74-M77 HydrophobicContact CG2-CE 3.57Å; L75-M77 PolarHBondContact O-N 3.08Å; M77-A79 HydrophobicContact SD-CB 4.47Å; M77-V85 HydrophobicContact SD-CB 4.37Å; M77-V85 HydrophobicContact SD-CG1 4.12Å; M77-V85 HydrophobicContact SD-CG2 4.4Å; M77-R88 HydrophobicContact CE-CB 4.08Å; M77-R88 HydrophobicContact SD-CB 4.06Å; M77-I211 HydrophobicContact CB-CG2 4.24Å; M77-I211 HydrophobicContact CE-CD1 4.1Å; M77-I211 HydrophobicContact CE-CG1 4.3Å; M77-I211 HydrophobicContact CE-CG2 3.67Å; M77-I211 HydrophobicContact SD-CG2 4.12Å; M77-R212 PolarHBondContact N-O 3.44Å; M77-L213 HydrophobicContact CB-CD2 4.38Å; M77-L213 WeakPolarHBondContact O-CA 3.48Å; M77-H214 PolarHBondContact O-N 3.35Å
78	S	82.4	Confident	81.9	Confident	74 Å²	74	53.6 Å²	53.6	52%	0.517	28%	0.28	S	S	.	.			trans	-89.9	115.8	166.8	61.2	0	0	0	0	109.6	D76 R88	D76-S78 PolarHBondContact O-N 3.27Å; S78-R88 PolarHBondContact O-NH1 3.12Å; S78-R88 PolarHBondContact O-NH2 3.48Å
79	A	73	Confident	82.2	Confident	5 Å²	5	53.5 Å²	53.5	4%	0.041	28%	0.28	C	S	.	.			trans	-144.9	139.5	177	0	0	0	0	0	111	M77 D84 V85 L213 C217	M77-A79 HydrophobicContact SD-CB 4.47Å; A79-D84 HydrophobicContact CB-CB 4.35Å; A79-V85 HydrophobicContact CB-CB 4.46Å; A79-V85 HydrophobicContact CB-CG2 3.34Å; A79-L213 HydrophobicContact CB-CD2 4.48Å; A79-C217 PolarHBondContact O-SG 2.9Å; A79-C217 VanDerWaalsContact O-SG 3.41Å
80	D	73.7	Confident	82.3	Confident	164 Å²	164	49.8 Å²	49.8	88%	0.877	26%	0.26	S	S	*	.	S	Bend	trans	-97.2	-11.1	-176.7	-62.5	-35	0	0	0	113
81	G	76.7	Confident	82.6	Confident	27 Å²	27	45.2 Å²	45.2	28%	0.278	25%	0.252	S	S	.	.	S	Bend	trans	-156	159.8	-177.8	0	0	0	0	0	112.9	E83 D84 V85 F219	G81-E83 VanDerWaalsContact C-N 3.27Å; G81-E83 PolarHBondContact O-N 3.18Å; G81-D84 PolarHBondContact O-N 3.41Å; G81-V85 PolarHBondContact O-N 3.26Å; G81-F219 VanDerWaalsContact C-CE1 3.42Å
82	L	79.3	Confident	83	Confident	41 Å²	41	47.9 Å²	47.9	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-38	-176.2	178.8	61.7	0	0	0	111.4	D84 V85 I86 F219 L222	L82-D84 PolarHBondContact O-N 2.99Å; L82-V85 PolarHBondContact O-N 3.37Å; L82-I86 HydrophobicContact CD1-CD1 4.07Å; L82-I86 HydrophobicContact CD1-CG1 4.4Å; L82-I86 HydrophobicContact CD2-CD1 4.4Å; L82-I86 HydrophobicContact CG-CD1 3.76Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.26Å; L82-I86 PolarHBondContact O-N 3.26Å; L82-F219 HydrophobicContact CB-CD1 3.78Å; L82-F219 HydrophobicContact CB-CE1 4.4Å; L82-F219 HydrophobicContact CB-CG 4.45Å; L82-F219 VanDerWaalsContact N-CD1 3.34Å; L82-L222 HydrophobicContact CD1-CD1 3.73Å; L82-L222 HydrophobicContact CD2-CD1 3.61Å; L82-L222 HydrophobicContact CG-CD1 4.32Å
83	E	82.4	Confident	83	Confident	136 Å²	136	47.8 Å²	47.8	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-42.9	176.3	-66.5	-179.1	-179.5	0	0	111.8	G81 V85 I86 E87 L112	G81-E83 VanDerWaalsContact C-N 3.27Å; G81-E83 PolarHBondContact O-N 3.18Å; E83-V85 PolarHBondContact O-N 3.17Å; E83-I86 PolarHBondContact O-N 3.4Å; E83-E87 WeakPolarHBondContact O-CB 3.48Å; E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 3.21Å; E83-L112 HydrophobicContact CG-CD2 3.76Å
84	D	83.9	Confident	83.2	Confident	52 Å²	52	48.9 Å²	48.9	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-39.6	178.1	-171.8	23.1	0	0	0	111.5	A79 G81 L82 I86 E87 R88	A79-D84 HydrophobicContact CB-CB 4.35Å; G81-D84 PolarHBondContact O-N 3.41Å; L82-D84 PolarHBondContact O-N 2.99Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.21Å; D84-E87 PolarHBondContact O-N 3.38Å; D84-R88 WeakPolarHBondContact O-CB 3.34Å; D84-R88 VanDerWaalsContact O-CG 3.28Å; D84-R88 WeakPolarHBondContact O-CG 3.32Å; D84-R88 PolarHBondContact O-N 2.77Å; D84-R88 IonicContact OD1-CZ 3.6Å; D84-R88 IonicContact OD1-NE 2.83Å; D84-R88 PolarHBondContact OD1-NE 3.46Å; D84-R88 IonicContact OD1-NH2 3.46Å; D84-R88 PolarHBondContact OD1-NH2 3.04Å; D84-R88 IonicContact OD2-CZ 3.48Å; D84-R88 IonicContact OD2-NE 3.34Å; D84-R88 PolarHBondContact OD2-NE 2.76Å; D84-R88 IonicContact OD2-NH2 2.86Å; D84-R88 PolarHBondContact OD2-NH2 3.38Å
85	V	81.9	Confident	83.3	Confident	5 Å²	5	56 Å²	56	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-45.9	173.5	179.2	0	0	0	0	110.8	M77 A79 G81 L82 E83 A89 I211 L213 F219	M77-V85 HydrophobicContact SD-CB 4.37Å; M77-V85 HydrophobicContact SD-CG1 4.12Å; M77-V85 HydrophobicContact SD-CG2 4.4Å; A79-V85 HydrophobicContact CB-CB 4.46Å; A79-V85 HydrophobicContact CB-CG2 3.34Å; G81-V85 PolarHBondContact O-N 3.26Å; L82-V85 PolarHBondContact O-N 3.37Å; E83-V85 PolarHBondContact O-N 3.17Å; V85-A89 VanDerWaalsContact O-CB 3.32Å; V85-A89 WeakPolarHBondContact O-CB 2.81Å; V85-A89 PolarHBondContact O-N 3.26Å; V85-I211 HydrophobicContact CG1-CD1 3.68Å; V85-I211 HydrophobicContact CG1-CG2 4.36Å; V85-L213 HydrophobicContact CG2-CD2 4.1Å; V85-F219 HydrophobicContact CG2-CE1 4.1Å; V85-F219 HydrophobicContact CG2-CZ 3.92Å
86	I	83.8	Confident	83.2	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-46.9	-179.4	-70.9	164.1	0	0	0	111	L82 E83 D84 R88 A89 I90 L111 L112	L82-I86 HydrophobicContact CD1-CD1 4.07Å; L82-I86 HydrophobicContact CD1-CG1 4.4Å; L82-I86 HydrophobicContact CD2-CD1 4.4Å; L82-I86 HydrophobicContact CG-CD1 3.76Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.26Å; L82-I86 PolarHBondContact O-N 3.26Å; E83-I86 PolarHBondContact O-N 3.4Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.21Å; I86-R88 PolarHBondContact O-N 3.15Å; I86-A89 WeakPolarHBondContact O-CB 3.1Å; I86-A89 PolarHBondContact O-N 3.14Å; I86-I90 HydrophobicContact CG2-CD1 3.63Å; I86-I90 HydrophobicContact CG2-CG1 4.29Å; I86-I90 WeakPolarHBondContact O-CB 3.35Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.97Å; I86-L111 HydrophobicContact CD1-CB 3.83Å; I86-L111 HydrophobicContact CG1-CB 4.12Å; I86-L111 HydrophobicContact CG1-CD1 4.39Å; I86-L111 HydrophobicContact CG2-CB 3.99Å; I86-L111 HydrophobicContact CG2-CD1 3.76Å; I86-L111 HydrophobicContact CG2-CG 4.49Å; I86-L112 HydrophobicContact CD1-CD2 3.52Å; I86-L112 HydrophobicContact CD1-CG 4.13Å
87	E	86.9	Confident	83.2	Confident	77 Å²	77	62 Å²	62	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-42.4	179.9	-73.9	-60.2	157.3	0	0	111.9	E83 D84 I90 A91 R108	E83-E87 WeakPolarHBondContact O-CB 3.48Å; E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 3.21Å; D84-E87 PolarHBondContact O-N 3.38Å; E87-I90 PolarHBondContact O-N 3.49Å; E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.43Å; E87-A91 PolarHBondContact O-N 3.31Å; E87-R108 IonicContact OE1-CZ 2.87Å; E87-R108 IonicContact OE1-NE 3.88Å; E87-R108 PolarHBondContact OE1-NE 3.44Å; E87-R108 IonicContact OE1-NH2 3.38Å; E87-R108 PolarHBondContact OE1-NH2 2.81Å; E87-R108 IonicContact OE2-CZ 2.78Å; E87-R108 IonicContact OE2-NE 3.22Å; E87-R108 IonicContact OE2-NH2 3.54Å; E87-R108 PolarHBondContact OE2-NH2 2.86Å
88	R	86.6	Confident	83	Confident	105 Å²	105	65.4 Å²	65.4	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-39.1	176.1	-69.4	178.5	-166.7	-143.2	13.6	112.4	M77 S78 D84 I86 K92	M77-R88 HydrophobicContact CE-CB 4.08Å; M77-R88 HydrophobicContact SD-CB 4.06Å; S78-R88 PolarHBondContact O-NH1 3.12Å; S78-R88 PolarHBondContact O-NH2 3.48Å; D84-R88 WeakPolarHBondContact O-CB 3.34Å; D84-R88 VanDerWaalsContact O-CG 3.28Å; D84-R88 WeakPolarHBondContact O-CG 3.32Å; D84-R88 PolarHBondContact O-N 2.77Å; D84-R88 IonicContact OD1-CZ 3.6Å; D84-R88 IonicContact OD1-NE 2.83Å; D84-R88 PolarHBondContact OD1-NE 3.46Å; D84-R88 IonicContact OD1-NH2 3.46Å; D84-R88 PolarHBondContact OD1-NH2 3.04Å; D84-R88 IonicContact OD2-CZ 3.48Å; D84-R88 IonicContact OD2-NE 3.34Å; D84-R88 PolarHBondContact OD2-NE 2.76Å; D84-R88 IonicContact OD2-NH2 2.86Å; D84-R88 PolarHBondContact OD2-NH2 3.38Å; I86-R88 PolarHBondContact O-N 3.15Å; R88-K92 PolarHBondContact O-N 3.19Å; R88-K92 VanDerWaalsContact O-N 3.09Å
89	A	85.1	Confident	82.9	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-46.3	175.2	0	0	0	0	0	111.4	V85 I86 K92 L93 V209 I211	V85-A89 VanDerWaalsContact O-CB 3.32Å; V85-A89 WeakPolarHBondContact O-CB 2.81Å; V85-A89 PolarHBondContact O-N 3.26Å; I86-A89 WeakPolarHBondContact O-CB 3.1Å; I86-A89 PolarHBondContact O-N 3.14Å; A89-K92 PolarHBondContact O-N 3.41Å; A89-L93 WeakPolarHBondContact O-CG 3.18Å; A89-L93 PolarHBondContact O-N 2.86Å; A89-V209 HydrophobicContact CB-CG1 4.26Å; A89-I211 HydrophobicContact CB-CD1 3.86Å
90	I	86.7	Confident	83.2	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-46	176.7	-71	174.3	0	0	0	110.9	I86 E87 K92 L93 V94 L99 V104 R108 L111	I86-I90 HydrophobicContact CG2-CD1 3.63Å; I86-I90 HydrophobicContact CG2-CG1 4.29Å; I86-I90 WeakPolarHBondContact O-CB 3.35Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.97Å; E87-I90 PolarHBondContact O-N 3.49Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.46Å; I90-L93 WeakPolarHBondContact O-CB 3.08Å; I90-L93 PolarHBondContact O-N 2.95Å; I90-L93 VanDerWaalsContact O-N 3.15Å; I90-V94 HydrophobicContact CG2-CG2 4.37Å; I90-V94 WeakPolarHBondContact O-CG2 3.39Å; I90-V94 PolarHBondContact O-N 3.47Å; I90-L99 HydrophobicContact CG2-CD2 4.3Å; I90-V104 HydrophobicContact CG2-CG1 3.64Å; I90-R108 HydrophobicContact CD1-CB 3.81Å; I90-R108 HydrophobicContact CD1-CG 4.36Å; I90-L111 HydrophobicContact CD1-CD1 4.4Å; I90-L111 HydrophobicContact CG1-CD1 4.48Å
91	A	88.2	Confident	83.6	Confident	62 Å²	62	70 Å²	70	51%	0.512	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-40.2	178.3	0	0	0	0	0	111.8	E87 K95	E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.43Å; E87-A91 PolarHBondContact O-N 3.31Å; A91-K95 WeakPolarHBondContact O-CB 3.33Å; A91-K95 PolarHBondContact O-N 2.83Å
92	K	87.1	Confident	83.7	Confident	68 Å²	68	72.7 Å²	72.7	30%	0.296	35%	0.353	S	S	.	.	H	α-helix	trans	-71.6	-38.8	176.5	-159	173.5	-178.3	178.9	0	112.5	V72 V73 I74 R88 A89 I90 V94 K95 E96	V72-K92 HydrophobicContact CG1-CB 4.08Å; V72-K92 HydrophobicContact CG1-CD 3.45Å; V72-K92 VanDerWaalsContact CG1-CD 3.45Å; V72-K92 HydrophobicContact CG1-CG 3.64Å; V73-K92 PolarHBondContact O-NZ 3.2Å; I74-K92 HydrophobicContact CD1-CB 4.22Å; I74-K92 HydrophobicContact CD1-CD 3.64Å; I74-K92 HydrophobicContact CG1-CD 3.54Å; R88-K92 PolarHBondContact O-N 3.19Å; R88-K92 VanDerWaalsContact O-N 3.09Å; A89-K92 PolarHBondContact O-N 3.41Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.46Å; K92-V94 VanDerWaalsContact C-N 3.32Å; K92-V94 PolarHBondContact O-N 2.9Å; K92-K95 PolarHBondContact O-N 2.74Å; K92-E96 WeakPolarHBondContact O-CG 3.47Å; K92-E96 PolarHBondContact O-N 2.76Å
93	L	85.9	Confident	83.9	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-38.5	173.5	-79.5	169.9	0	0	0	113	V72 A89 I90 N97 F98 L99 L207 V209	V72-L93 HydrophobicContact CB-CD2 4.42Å; V72-L93 HydrophobicContact CG2-CD2 3.8Å; V72-L93 HydrophobicContact CG2-CG 4.48Å; A89-L93 WeakPolarHBondContact O-CG 3.18Å; A89-L93 PolarHBondContact O-N 2.86Å; I90-L93 WeakPolarHBondContact O-CB 3.08Å; I90-L93 PolarHBondContact O-N 2.95Å; I90-L93 VanDerWaalsContact O-N 3.15Å; L93-N97 PolarHBondContact O-N 2.75Å; L93-F98 HydrophobicContact CD2-CB 3.97Å; L93-F98 PolarHBondContact O-N 3.31Å; L93-L99 HydrophobicContact CB-CB 4.14Å; L93-L99 PolarHBondContact O-N 2.83Å; L93-L207 HydrophobicContact CD2-CD2 4.43Å; L93-V209 HydrophobicContact CD1-CG2 3.62Å; L93-V209 HydrophobicContact CD2-CG2 3.66Å; L93-V209 HydrophobicContact CG-CG2 3.7Å
94	V	87.5	Confident	84.1	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.255	33%	0.325	S	S	.	.	H	α-helix	trans	-70.8	-41.1	175.7	174	0	0	0	0	110.7	I90 K92 E96 N97 L99 V104	I90-V94 HydrophobicContact CG2-CG2 4.37Å; I90-V94 WeakPolarHBondContact O-CG2 3.39Å; I90-V94 PolarHBondContact O-N 3.47Å; K92-V94 VanDerWaalsContact C-N 3.32Å; K92-V94 PolarHBondContact O-N 2.9Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 2.62Å; V94-N97 PolarHBondContact O-N 2.88Å; V94-N97 VanDerWaalsContact O-N 3.15Å; V94-L99 HydrophobicContact CG2-CB 4.3Å; V94-L99 HydrophobicContact CG2-CD2 4.2Å; V94-V104 HydrophobicContact CG2-CG2 3.74Å
95	K	88	Confident	84.1	Confident	168 Å²	168	66.4 Å²	66.4	73%	0.73	33%	0.331	S	S	*	.	H	α-helix	trans	-60.6	-40.4	178.1	-175.5	-179.2	177.5	-177.5	0	112.7	A91 K92 N97	A91-K95 WeakPolarHBondContact O-CB 3.33Å; A91-K95 PolarHBondContact O-N 2.83Å; K92-K95 PolarHBondContact O-N 2.74Å; K95-N97 PolarHBondContact O-N 2.79Å
96	E	83.6	Confident	84.1	Confident	102 Å²	102	69.1 Å²	69.1	48%	0.477	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8.4	179.6	-62.1	-68.6	162	0	0	112.9	V72 K92 V94 F98	V72-E96 HydrophobicContact CG2-CB 4.45Å; V72-E96 HydrophobicContact CG2-CG 4.32Å; K92-E96 WeakPolarHBondContact O-CG 3.47Å; K92-E96 PolarHBondContact O-N 2.76Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 2.62Å; E96-F98 HydrophobicContact CB-CD2 3.48Å; E96-F98 VanDerWaalsContact CB-CD2 3.48Å; E96-F98 HydrophobicContact CB-CE2 3.6Å; E96-F98 HydrophobicContact CG-CE2 4.42Å; E96-F98 PolarHBondContact O-N 3.47Å; E96-F98 VanDerWaalsContact O-N 3.14Å
97	N	81.6	Confident	84	Confident	146 Å²	146	69 Å²	69	78%	0.781	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	19.3	-179	-67.6	-45.8	0	0	0	115.8	L93 V94 K95 L99	L93-N97 PolarHBondContact O-N 2.75Å; V94-N97 PolarHBondContact O-N 2.88Å; V94-N97 VanDerWaalsContact O-N 3.15Å; K95-N97 PolarHBondContact O-N 2.79Å; N97-L99 VanDerWaalsContact C-N 3.34Å
98	F	79	Confident	83.9	Confident	83 Å²	83	68.6 Å²	68.6	36%	0.364	34%	0.34	S	S	.	.	S	Bend	trans	-73.8	-27.5	173	-70.4	-68.5	0	0	0	112.3	K70 V72 L93 E96 L207	K70-F98 WeakPolarHBondContact O-CZ 3.33Å; V72-F98 HydrophobicContact CG2-CD2 3.62Å; V72-F98 HydrophobicContact CG2-CE2 3.79Å; L93-F98 HydrophobicContact CD2-CB 3.97Å; L93-F98 PolarHBondContact O-N 3.31Å; E96-F98 HydrophobicContact CB-CD2 3.48Å; E96-F98 VanDerWaalsContact CB-CD2 3.48Å; E96-F98 HydrophobicContact CB-CE2 3.6Å; E96-F98 HydrophobicContact CG-CE2 4.42Å; E96-F98 PolarHBondContact O-N 3.47Å; E96-F98 VanDerWaalsContact O-N 3.14Å; F98-L207 HydrophobicContact CB-CD2 3.88Å; F98-L207 VanDerWaalsContact O-CD2 3.3Å; F98-L207 WeakPolarHBondContact O-CD2 3.35Å
99	L	79.3	Confident	83.7	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.037	35%	0.349	C	S	.	.	S	Bend	trans	-119.4	118.9	-176.8	-171.5	65.4	0	0	0	111.6	I90 L93 V94 N97 N103 V104 V107 L203 L207	I90-L99 HydrophobicContact CG2-CD2 4.3Å; L93-L99 HydrophobicContact CB-CB 4.14Å; L93-L99 PolarHBondContact O-N 2.83Å; V94-L99 HydrophobicContact CG2-CB 4.3Å; V94-L99 HydrophobicContact CG2-CD2 4.2Å; N97-L99 VanDerWaalsContact C-N 3.34Å; L99-N103 HydrophobicContact CD1-CB 3.77Å; L99-V104 HydrophobicContact CD2-CB 4.42Å; L99-V104 HydrophobicContact CD2-CG2 3.83Å; L99-V104 HydrophobicContact CG-CG2 4.07Å; L99-V107 HydrophobicContact CD1-CG2 3.85Å; L99-L203 HydrophobicContact CD1-CD2 3.97Å; L99-L207 HydrophobicContact CD1-CD1 3.95Å
100	R	80.6	Confident	83.5	Confident	146 Å²	146	69.1 Å²	69.1	55%	0.551	35%	0.352	S	S	*	.			trans	-66.2	143	171.1	-68.4	-175.2	-174.2	161.1	6.5	110	S102 N103 E204	R100-S102 PolarHBondContact O-N 3.06Å; R100-N103 PolarHBondContact O-N 2.98Å; R100-E204 IonicContact CZ-OE1 3.35Å; R100-E204 IonicContact CZ-OE2 3.74Å; R100-E204 VanDerWaalsContact CZ-OE2 3.25Å; R100-E204 IonicContact NH1-OE1 3.54Å; R100-E204 PolarHBondContact NH1-OE1 3.12Å; R100-E204 IonicContact NH1-OE2 3.61Å; R100-E204 PolarHBondContact NH1-OE2 3.41Å; R100-E204 IonicContact NH2-OE1 2.8Å; R100-E204 IonicContact NH2-OE2 2.97Å; R100-E204 PolarHBondContact NH2-OE2 3.38Å
101	K	80.6	Confident	83.1	Confident	186 Å²	186	69.3 Å²	69.3	81%	0.809	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30.5	178.2	-67.8	-175.1	-179.3	-180	0	113.5	N103	K101-N103 VanDerWaalsContact C-N 3.3Å; K101-N103 PolarHBondContact O-N 2.92Å
102	S	80.6	Confident	82.8	Confident	85 Å²	85	69.7 Å²	69.7	59%	0.594	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-63.9	-31.6	176.2	58.2	0	0	0	0	113.7	R100	R100-S102 PolarHBondContact O-N 3.06Å
103	N	83.5	Confident	82.5	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.123	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.2	-4.5	-171.4	-66.1	3.6	0	0	0	112.5	L99 R100 K101 A105 I106 V107 S202 L203	L99-N103 HydrophobicContact CD1-CB 3.77Å; R100-N103 PolarHBondContact O-N 2.98Å; K101-N103 VanDerWaalsContact C-N 3.3Å; K101-N103 PolarHBondContact O-N 2.92Å; N103-A105 PolarHBondContact O-N 2.97Å; N103-I106 PolarHBondContact O-N 2.99Å; N103-V107 WeakPolarHBondContact O-CG2 3.47Å; N103-V107 PolarHBondContact O-N 2.85Å; N103-V107 VanDerWaalsContact O-N 3.08Å; N103-S202 PolarHBondContact ND2-O 2.94Å; N103-L203 HydrophobicContact CB-CD2 4.24Å
104	V	84.9	Confident	81.9	Confident	22 Å²	22	73 Å²	73	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-44.5	-177.1	177.2	0	0	0	0	111.8	I90 V94 L99 R108	I90-V104 HydrophobicContact CG2-CG1 3.64Å; V94-V104 HydrophobicContact CG2-CG2 3.74Å; L99-V104 HydrophobicContact CD2-CB 4.42Å; L99-V104 HydrophobicContact CD2-CG2 3.83Å; L99-V104 HydrophobicContact CG-CG2 4.07Å; V104-R108 VanDerWaalsContact O-CB 3.29Å; V104-R108 WeakPolarHBondContact O-CB 3.08Å; V104-R108 PolarHBondContact O-N 3.27Å
105	A	84.6	Confident	81.3	Confident	51 Å²	51	71.7 Å²	71.7	42%	0.421	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-45	178.5	0	0	0	0	0	111.6	N103 V107 R108 D109	N103-A105 PolarHBondContact O-N 2.97Å; A105-V107 PolarHBondContact O-N 2.97Å; A105-R108 WeakPolarHBondContact O-CB 3.5Å; A105-R108 PolarHBondContact O-N 3.36Å; A105-D109 WeakPolarHBondContact O-CB 3.28Å; A105-D109 VanDerWaalsContact O-CG 3.24Å; A105-D109 PolarHBondContact O-N 2.71Å
106	I	82.5	Confident	80.6	Confident	63 Å²	63	67.5 Å²	67.5	32%	0.323	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-45	-178.8	-57.9	172.7	0	0	0	111.2	N103 A110 L200	N103-I106 PolarHBondContact O-N 2.99Å; I106-A110 VanDerWaalsContact O-CB 3.28Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.95Å; I106-L200 HydrophobicContact CG2-CD2 4.17Å
107	V	82.3	Confident	80	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-68.7	-38.4	179.2	174.9	0	0	0	0	111.2	L99 N103 A105 A110 L111 L200 L203 L207 F235	L99-V107 HydrophobicContact CD1-CG2 3.85Å; N103-V107 WeakPolarHBondContact O-CG2 3.47Å; N103-V107 PolarHBondContact O-N 2.85Å; N103-V107 VanDerWaalsContact O-N 3.08Å; A105-V107 PolarHBondContact O-N 2.97Å; V107-A110 PolarHBondContact O-N 3.46Å; V107-L111 HydrophobicContact CG1-CD1 3.94Å; V107-L111 HydrophobicContact CG1-CG 4.49Å; V107-L111 WeakPolarHBondContact O-CB 3.34Å; V107-L111 WeakPolarHBondContact O-CG 3.28Å; V107-L111 PolarHBondContact O-N 3.32Å; V107-L200 HydrophobicContact CG2-CD1 4.23Å; V107-L203 HydrophobicContact CG2-CD1 4.3Å; V107-L203 HydrophobicContact CG2-CD2 3.98Å; V107-L203 HydrophobicContact CG2-CG 4.49Å; V107-L207 HydrophobicContact CG2-CD1 4.39Å; V107-F235 HydrophobicContact CG1-CE2 4.36Å
108	R	83.9	Confident	79.4	Confident	69 Å²	69	57 Å²	57	26%	0.26	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-50.4	174.3	179.2	-176.9	-73.8	114.6	-2.7	111.4	E87 I90 V104 A105 A110 L111 L112	E87-R108 IonicContact OE1-CZ 2.87Å; E87-R108 IonicContact OE1-NE 3.88Å; E87-R108 PolarHBondContact OE1-NE 3.44Å; E87-R108 IonicContact OE1-NH2 3.38Å; E87-R108 PolarHBondContact OE1-NH2 2.81Å; E87-R108 IonicContact OE2-CZ 2.78Å; E87-R108 IonicContact OE2-NE 3.22Å; E87-R108 IonicContact OE2-NH2 3.54Å; E87-R108 PolarHBondContact OE2-NH2 2.86Å; I90-R108 HydrophobicContact CD1-CB 3.81Å; I90-R108 HydrophobicContact CD1-CG 4.36Å; V104-R108 VanDerWaalsContact O-CB 3.29Å; V104-R108 WeakPolarHBondContact O-CB 3.08Å; V104-R108 PolarHBondContact O-N 3.27Å; A105-R108 WeakPolarHBondContact O-CB 3.5Å; A105-R108 PolarHBondContact O-N 3.36Å; R108-A110 VanDerWaalsContact C-N 3.3Å; R108-A110 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 3.14Å; R108-L112 HydrophobicContact CG-CD1 3.83Å; R108-L112 WeakPolarHBondContact O-CG 3.28Å; R108-L112 PolarHBondContact O-N 3.49Å
109	D	83	Confident	78.7	Confident	110 Å²	110	55.8 Å²	55.8	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-63.6	-39	-179.4	-67.3	-12.2	0	0	0	111.2	A105 L112 S113	A105-D109 WeakPolarHBondContact O-CB 3.28Å; A105-D109 VanDerWaalsContact O-CG 3.24Å; A105-D109 PolarHBondContact O-N 2.71Å; D109-L112 PolarHBondContact O-N 3.34Å; D109-S113 PolarHBondContact O-N 2.86Å; D109-S113 VanDerWaalsContact O-N 3.14Å
110	A	79.9	Confident	77.9	Confident	9 Å²	9	57.8 Å²	57.8	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-42.8	174.7	0	0	0	0	0	112	M23 W28 I106 V107 R108 S113 L200	M23-A110 HydrophobicContact CE-CB 3.68Å; M23-A110 WeakPolarHBondContact CE-O 3.47Å; M23-A110 HydrophobicContact SD-CB 4.29Å; W28-A110 PolarHBondContact NE1-O 3Å; I106-A110 VanDerWaalsContact O-CB 3.28Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.95Å; V107-A110 PolarHBondContact O-N 3.46Å; R108-A110 VanDerWaalsContact C-N 3.3Å; R108-A110 PolarHBondContact O-N 3.43Å; A110-S113 WeakPolarHBondContact O-CB 3.4Å; A110-S113 PolarHBondContact O-N 3.49Å; A110-S113 PolarHBondContact O-OG 3.22Å; A110-L200 HydrophobicContact CB-CD1 3.81Å; A110-L200 HydrophobicContact CB-CD2 3.92Å; A110-L200 HydrophobicContact CB-CG 4.37Å
111	L	78.8	Confident	76.7	Confident	7 Å²	7	52 Å²	52	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-35.7	179.2	-78.7	170.7	0	0	0	113.8	I86 I90 V107 R108 S113 L233 F235	I86-L111 HydrophobicContact CD1-CB 3.83Å; I86-L111 HydrophobicContact CG1-CB 4.12Å; I86-L111 HydrophobicContact CG1-CD1 4.39Å; I86-L111 HydrophobicContact CG2-CB 3.99Å; I86-L111 HydrophobicContact CG2-CD1 3.76Å; I86-L111 HydrophobicContact CG2-CG 4.49Å; I90-L111 HydrophobicContact CD1-CD1 4.4Å; I90-L111 HydrophobicContact CG1-CD1 4.48Å; V107-L111 HydrophobicContact CG1-CD1 3.94Å; V107-L111 HydrophobicContact CG1-CG 4.49Å; V107-L111 WeakPolarHBondContact O-CB 3.34Å; V107-L111 WeakPolarHBondContact O-CG 3.28Å; V107-L111 PolarHBondContact O-N 3.32Å; R108-L111 PolarHBondContact O-N 3.14Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-L233 HydrophobicContact CD2-CD2 3.12Å; L111-L233 HydrophobicContact CG-CD2 4.46Å; L111-F235 HydrophobicContact CD1-CE2 4.13Å; L111-F235 HydrophobicContact CD1-CZ 4.24Å; L111-F235 HydrophobicContact CD2-CE2 3.71Å; L111-F235 HydrophobicContact CD2-CZ 3.34Å; L111-F235 HydrophobicContact CG-CE2 3.98Å; L111-F235 HydrophobicContact CG-CZ 3.59Å
112	L	81.1	Confident	75.3	Confident	71 Å²	71	49.6 Å²	49.6	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-84.8	-2.2	179.2	-66.6	173	0	0	0	113.7	E83 I86 R108 D109	E83-L112 HydrophobicContact CG-CD2 3.76Å; I86-L112 HydrophobicContact CD1-CD2 3.52Å; I86-L112 HydrophobicContact CD1-CG 4.13Å; R108-L112 HydrophobicContact CG-CD1 3.83Å; R108-L112 WeakPolarHBondContact O-CG 3.28Å; R108-L112 PolarHBondContact O-N 3.49Å; D109-L112 PolarHBondContact O-N 3.34Å
113	S	80.4	Confident	73.6	Confident	20 Å²	20	54.1 Å²	54.1	14%	0.14	26%	0.263	C	S	.	.	S	Bend	trans	-59.1	155.7	177.2	65.4	0	0	0	0	113	Q26 W28 D109 A110 L111 H115	Q26-S113 WeakPolarHBondContact O-CB 3.34Å; W28-S113 PolarHBondContact NE1-OG 3.48Å; D109-S113 PolarHBondContact O-N 2.86Å; D109-S113 VanDerWaalsContact O-N 3.14Å; A110-S113 WeakPolarHBondContact O-CB 3.4Å; A110-S113 PolarHBondContact O-N 3.49Å; A110-S113 PolarHBondContact O-OG 3.22Å; L111-S113 VanDerWaalsContact C-N 3.3Å; S113-H115 PolarHBondContact O-N 3.3Å; S113-H115 PolarHBondContact O-ND1 3.03Å
114	K	75.1	Confident	71.6	Confident	122 Å²	122	61.4 Å²	61.4	53%	0.53	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-64.9	129.8	-173.6	-172.2	179.6	178.8	-177.5	0	110.8	W28	W28-K114 PolarHBondContact N-O 3.45Å
115	H	74.8	Confident	69.6	Low	15 Å²	15	68.2 Å²	68.2	7%	0.069	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.4	170.5	-70.3	67.2	0	0	0	109.9	W28 S113 L196 N221 L222	W28-H115 HydrophobicContact CB-CB 4.39Å; W28-H115 AromaticContact CD1-CE1 3.37Å; W28-H115 AromaticContact CD1-ND1 3.69Å; W28-H115 AromaticContact CD1-NE2 3.74Å; W28-H115 AromaticContact CG-CE1 3.87Å; W28-H115 AromaticContact CG-NE2 3.77Å; W28-H115 AromaticContact NE1-CE1 3.9Å; S113-H115 PolarHBondContact O-N 3.3Å; S113-H115 PolarHBondContact O-ND1 3.03Å; H115-L196 WeakPolarHBondContact NE2-CD2 3.3Å; H115-N221 WeakPolarHBondContact CB-O 3.42Å; H115-L222 WeakPolarHBondContact NE2-CD1 3.35Å
116	R	71.6	Confident	67.5	Low	79 Å²	79	74.7 Å²	74.7	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.4	-178.5	-166.1	172.6	-170.5	168.7	-0.8	109.6	E27 W28	E27-R116 IonicContact OE2-NH1 3.46Å; E27-R116 PolarHBondContact OE2-NH1 2.97Å; E27-R116 VanDerWaalsContact OE2-NH1 3.14Å; W28-R116 PolarHBondContact O-N 3.06Å
117	H	71.5	Confident	65.3	Low	5 Å²	5	79 Å²	79	2%	0.023	36%	0.362	C	S	.	.			trans	-83.2	148.8	176.9	-60.2	-60.4	0	0	0	111.7	Q30 Y119 E120 N221 E224	Q30-H117 PolarHBondContact NE2-ND1 3.38Å; H117-Y119 HydrophobicContact CB-CD1 3.5Å; H117-Y119 HydrophobicContact CB-CE1 3.21Å; H117-Y119 HydrophobicContact CB-CG 4.46Å; H117-Y119 AromaticContact CD2-CE1 3.73Å; H117-Y119 AromaticContact CD2-CZ 3.99Å; H117-Y119 PolarHBondContact CD2-OH 2.94Å; H117-Y119 AromaticContact CG-CE1 3.6Å; H117-Y119 PolarHBondContact O-N 3.11Å; H117-E120 HydrophobicContact CB-CG 4.39Å; H117-E120 PolarHBondContact O-N 3.48Å; H117-E120 VanDerWaalsContact O-N 3.15Å; H117-N221 PolarHBondContact CE1-O 3.31Å; H117-N221 PolarHBondContact NE2-O 2.96Å; H117-N221 VanDerWaalsContact NE2-O 3.08Å; H117-E224 HydrophobicContact CB-CG 4.46Å
118	Q	68.6	Low	63	Low	24 Å²	24	81.4 Å²	81.4	11%	0.112	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-61.9	-32.1	-176	-170.1	56.1	28	0	0	112.6	N46 W48 E120 T121	N46-Q118 VanDerWaalsContact CB-NE2 3.26Å; N46-Q118 PolarHBondContact O-NE2 3.31Å; W48-Q118 HydrophobicContact CZ2-CB 3.9Å; W48-Q118 HydrophobicContact CZ2-CG 4.46Å; Q118-E120 PolarHBondContact O-N 3.38Å; Q118-T121 PolarHBondContact O-N 3.23Å; Q118-T121 PolarHBondContact O-OG1 2.94Å
119	Y	65.7	Low	60.3	Low	57 Å²	57	87.1 Å²	87.1	22%	0.224	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-68.1	-20.5	-179	72.4	-95.5	0	0	0	113.9	H117 N179 E224	H117-Y119 HydrophobicContact CB-CD1 3.5Å; H117-Y119 HydrophobicContact CB-CE1 3.21Å; H117-Y119 HydrophobicContact CB-CG 4.46Å; H117-Y119 AromaticContact CD2-CE1 3.73Å; H117-Y119 AromaticContact CD2-CZ 3.99Å; H117-Y119 PolarHBondContact CD2-OH 2.94Å; H117-Y119 AromaticContact CG-CE1 3.6Å; H117-Y119 PolarHBondContact O-N 3.11Å; Y119-N179 HydrophobicContact CD1-CB 4.07Å; Y119-N179 HydrophobicContact CG-CB 4.31Å; Y119-E224 HydrophobicContact CD1-CG 4.21Å; Y119-E224 WeakPolarHBondContact CD1-OE1 2.92Å; Y119-E224 HydrophobicContact CE1-CG 3.93Å
120	E	62.1	Low	57.9	Low	48 Å²	48	86.7 Å²	86.7	22%	0.224	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-80.4	-22.1	-176.4	-63.7	-174.5	170.6	0	0	113	H117 Q118 N122 R123	H117-E120 HydrophobicContact CB-CG 4.39Å; H117-E120 PolarHBondContact O-N 3.48Å; H117-E120 VanDerWaalsContact O-N 3.15Å; Q118-E120 PolarHBondContact O-N 3.38Å; E120-N122 PolarHBondContact O-N 2.83Å; E120-N122 VanDerWaalsContact O-N 3.11Å; E120-R123 PolarHBondContact O-N 2.87Å
121	T	55.5	Low	55.6	Low	25 Å²	25	93.1 Å²	93.1	15%	0.153	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-59.2	-25.2	179.1	56	0	0	0	0	113.2	Q118 R123	Q118-T121 PolarHBondContact O-N 3.23Å; Q118-T121 PolarHBondContact O-OG1 2.94Å; T121-R123 PolarHBondContact O-N 3.11Å
122	N	50.3	Low	53.4	Low	135 Å²	135	95.9 Å²	95.9	72%	0.722	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-77.1	-14.8	177.9	-87.6	-14.1	0	0	0	114.7	E120	E120-N122 PolarHBondContact O-N 2.83Å; E120-N122 VanDerWaalsContact O-N 3.11Å
123	R	46.4	Very low	51.4	Low	181 Å²	181	101 Å²	101	68%	0.683	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-31.8	-178.3	-75.2	-172.3	-177.7	175	2.7	113.5	E120 T121 H125	E120-R123 PolarHBondContact O-N 2.87Å; T121-R123 PolarHBondContact O-N 3.11Å; R123-H125 PolarHBondContact O-N 2.69Å
124	Y	41.2	Very low	49.5	Very low	175 Å²	175	104.1 Å²	104.1	69%	0.686	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-79.5	-11.5	-172.9	-102	-89.7	0	0	0	115.5	K126	Y124-K126 VanDerWaalsContact C-N 3.28Å; Y124-K126 PolarHBondContact O-N 2.94Å
125	H	41.9	Very low	47.6	Very low	165 Å²	165	106.4 Å²	106.4	76%	0.764	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-84.9	2.3	177.4	-128.9	-57.5	0	0	0	114.1	R123	R123-H125 PolarHBondContact O-N 2.69Å
126	K	40.1	Very low	46.3	Very low	187 Å²	187	112.2 Å²	112.2	81%	0.813	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-92.1	-19.1	180	-101.6	-176.1	173.1	-175.7	0	114.9	Y124	Y124-K126 VanDerWaalsContact C-N 3.28Å; Y124-K126 PolarHBondContact O-N 2.94Å
127	D	37.4	Very low	45.1	Very low	154 Å²	154	115.1 Å²	115.1	82%	0.824	60%	0.596	S	S	*	*	S	Bend	trans	-110.5	8.8	-172.1	-64.9	-26.7	0	0	0	114
128	G	32.8	Very low	43.5	Very low	52 Å²	52	118.2 Å²	118.2	54%	0.536	62%	0.615	S	S	.	*	S	Bend	trans	-115.4	108	177.6	0	0	0	0	0	112	S130	G128-S130 PolarHBondContact O-N 3.42Å; G128-S130 VanDerWaalsContact O-N 3.13Å
129	M	27.8	Very low	42.4	Very low	188 Å²	188	121.8 Å²	121.8	93%	0.926	64%	0.638	S	S	*	*			trans	-61.8	104.2	177.1	-173.8	136.1	84.7	0	0	111.6
130	S	33.9	Very low	41.3	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	66%	0.663	S	S	*	*			trans	-143.6	98	157.7	72.9	0	0	0	0	111	G128 G132	G128-S130 PolarHBondContact O-N 3.42Å; G128-S130 VanDerWaalsContact O-N 3.13Å; S130-G132 PolarHBondContact O-N 3.45Å
131	T	30.1	Very low	40.3	Very low	143 Å²	143	128.4 Å²	128.4	88%	0.877	67%	0.669	S	S	*	*			trans	-49.7	121.3	169.2	-41.1	0	0	0	0	111
132	G	33.9	Very low	39.5	Very low	66 Å²	66	134 Å²	134	68%	0.68	69%	0.691	S	S	*	*	S	Bend	trans	162.1	-15.7	165.1	0	0	0	0	0	121.2	S130	S130-G132 PolarHBondContact O-N 3.45Å
133	Q	38.5	Very low	39.2	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	68%	0.68	S	S	*	*			trans	-137.3	23.9	-172.2	-74.9	-173.2	-16.1	0	0	116.1	F135	Q133-F135 PolarHBondContact O-N 3.31Å
134	S	40.1	Very low	39.1	Very low	86 Å²	86	126.5 Å²	126.5	60%	0.601	67%	0.673	S	S	*	*	H	α-helix	trans	-77.9	-10.2	-166.3	49.2	0	0	0	0	117.3	T138	S134-T138 PolarHBondContact O-N 3.43Å; S134-T138 PolarHBondContact O-OG1 2.89Å
135	F	36.6	Very low	39	Very low	171 Å²	171	122.2 Å²	122.2	75%	0.75	66%	0.661	S	S	*	*	H	α-helix	trans	-76.8	-36.5	-174.7	-166	-108.6	0	0	0	113.5	Q133	Q133-F135 PolarHBondContact O-N 3.31Å
136	L	47.1	Very low	38.9	Very low	136 Å²	136	117 Å²	117	71%	0.712	65%	0.652	S	S	*	*	H	α-helix	trans	-86.3	-16.1	-177.9	-65.2	178.7	0	0	0	114.3
137	Q	45.3	Very low	39.1	Very low	141 Å²	141	114.6 Å²	114.6	66%	0.659	64%	0.637	S	S	*	*	H	α-helix	trans	-84.4	-28	172.9	-96.8	175.6	-22.4	0	0	113	V139 R140 S141	Q137-V139 PolarHBondContact O-N 3.39Å; Q137-R140 PolarHBondContact O-N 2.87Å; Q137-S141 PolarHBondContact O-N 2.86Å
138	T	37.9	Very low	39.1	Very low	69 Å²	69	110.7 Å²	110.7	42%	0.423	62%	0.622	S	S	.	*	H	α-helix	trans	-69	-34.3	180	-57	0	0	0	0	111.8	S134 R140 S141 F142	S134-T138 PolarHBondContact O-N 3.43Å; S134-T138 PolarHBondContact O-OG1 2.89Å; T138-R140 VanDerWaalsContact C-N 3.28Å; T138-R140 PolarHBondContact O-N 3.22Å; T138-S141 PolarHBondContact O-N 2.95Å; T138-S141 PolarHBondContact O-OG 3.16Å; T138-S141 VanDerWaalsContact O-OG 3.11Å; T138-F142 HydrophobicContact CG2-CE2 3.96Å; T138-F142 WeakPolarHBondContact O-CD2 3.41Å
139	V	45.4	Very low	39.2	Very low	100 Å²	100	116.4 Å²	116.4	61%	0.606	63%	0.633	S	S	*	*	H	α-helix	trans	-70.8	-22.9	177	-172	0	0	0	0	112.4	Q137	Q137-V139 PolarHBondContact O-N 3.39Å
140	R	43.7	Very low	39.6	Very low	194 Å²	194	110.4 Å²	110.4	73%	0.732	61%	0.609	S	S	*	*	H	α-helix	trans	-83	-23.9	174.7	-74.6	179.9	176.6	144.7	-0.4	113.4	Q137 T138	Q137-R140 PolarHBondContact O-N 2.87Å; T138-R140 VanDerWaalsContact C-N 3.28Å; T138-R140 PolarHBondContact O-N 3.22Å
141	S	40.8	Very low	39.7	Very low	50 Å²	50	111.2 Å²	111.2	35%	0.35	60%	0.601	S	S	.	*	H	α-helix	trans	-75.6	-25.2	180	83	0	0	0	0	113.4	Q137 T138 A143 D144 I145	Q137-S141 PolarHBondContact O-N 2.86Å; T138-S141 PolarHBondContact O-N 2.95Å; T138-S141 PolarHBondContact O-OG 3.16Å; T138-S141 VanDerWaalsContact O-OG 3.11Å; S141-A143 PolarHBondContact O-N 3.3Å; S141-D144 PolarHBondContact O-N 3.02Å; S141-I145 WeakPolarHBondContact O-CG1 3.46Å; S141-I145 PolarHBondContact O-N 3.34Å; S141-I145 VanDerWaalsContact O-N 3.12Å
142	F	37.8	Very low	40	Very low	143 Å²	143	107.3 Å²	107.3	63%	0.627	58%	0.584	S	S	*	*	H	α-helix	trans	-63.9	-24.3	175.8	-73.7	-73.6	0	0	0	113.7	T138 D144 I145	T138-F142 HydrophobicContact CG2-CE2 3.96Å; T138-F142 WeakPolarHBondContact O-CD2 3.41Å; F142-D144 VanDerWaalsContact C-N 3.33Å; F142-I145 HydrophobicContact CD1-CD1 4.1Å; F142-I145 HydrophobicContact CE1-CD1 4.45Å
143	A	45.6	Very low	40	Very low	60 Å²	60	112.8 Å²	112.8	50%	0.496	59%	0.589	S	S	.	*	H	α-helix	trans	-76.1	-19.3	173.9	0	0	0	0	0	113.5	S141	S141-A143 PolarHBondContact O-N 3.3Å
144	D	43.4	Very low	40.1	Very low	98 Å²	98	109.1 Å²	109.1	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-100.3	-19.8	-179.7	-74.6	-37	0	0	0	113.4	S141 F142 G146 R147	S141-D144 PolarHBondContact O-N 3.02Å; F142-D144 VanDerWaalsContact C-N 3.33Å; D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 3.33Å; D144-R147 PolarHBondContact O-N 2.79Å; D144-R147 IonicContact OD1-NH1 3.69Å; D144-R147 PolarHBondContact OD1-NH1 3.21Å
145	I	40	Very low	40	Very low	85 Å²	85	110.9 Å²	110.9	44%	0.436	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-27.9	174.4	-71	165.1	0	0	0	112.3	S141 F142 R147 S148	S141-I145 WeakPolarHBondContact O-CG1 3.46Å; S141-I145 PolarHBondContact O-N 3.34Å; S141-I145 VanDerWaalsContact O-N 3.12Å; F142-I145 HydrophobicContact CD1-CD1 4.1Å; F142-I145 HydrophobicContact CE1-CD1 4.45Å; I145-R147 VanDerWaalsContact C-N 3.26Å; I145-R147 PolarHBondContact O-N 2.96Å; I145-S148 PolarHBondContact O-OG 2.89Å
146	G	39.6	Very low	39.8	Very low	56 Å²	56	108 Å²	108	58%	0.577	57%	0.573	S	S	*	*	H	α-helix	trans	-72.3	-11.6	177	0	0	0	0	0	115.2	D144	D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 3.33Å
147	R	43	Very low	39.2	Very low	135 Å²	135	104.6 Å²	104.6	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-94	-21	-179.5	-76.5	-179.2	175.2	139.5	-5.8	113.8	D144 I145 H151	D144-R147 PolarHBondContact O-N 2.79Å; D144-R147 IonicContact OD1-NH1 3.69Å; D144-R147 PolarHBondContact OD1-NH1 3.21Å; I145-R147 VanDerWaalsContact C-N 3.26Å; I145-R147 PolarHBondContact O-N 2.96Å; R147-H151 PolarHBondContact O-CD2 3.41Å
148	S	37.5	Very low	38.6	Very low	72 Å²	72	101 Å²	101	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-80.3	-26.8	-177.5	61.1	0	0	0	0	113.7	I145 S150 H151	I145-S148 PolarHBondContact O-OG 2.89Å; S148-S150 PolarHBondContact O-N 2.89Å; S148-H151 PolarHBondContact O-N 2.93Å
149	F	35.4	Very low	38.4	Very low	173 Å²	173	101.5 Å²	101.5	76%	0.759	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-20.9	-176	-97.6	-91.2	0	0	0	115.2
150	S	35.9	Very low	37.7	Very low	61 Å²	61	104.2 Å²	104.2	43%	0.427	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-15.4	178	-18.6	0	0	0	0	113.6	S148 T154	S148-S150 PolarHBondContact O-N 2.89Å; S150-T154 PolarHBondContact O-OG1 3.21Å
151	H	37	Very low	37.4	Very low	119 Å²	119	98.8 Å²	98.8	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-89.3	-28.2	-173.8	-83.8	-69.9	0	0	0	113.1	R147 S148 K153 L155	R147-H151 PolarHBondContact O-CD2 3.41Å; S148-H151 PolarHBondContact O-N 2.93Å; H151-K153 PolarHBondContact O-N 3.2Å; H151-L155 WeakPolarHBondContact O-CD1 3.45Å; H151-L155 WeakPolarHBondContact O-CG 3.34Å; H151-L155 PolarHBondContact O-N 2.75Å
152	A	35.1	Very low	37.1	Very low	61 Å²	61	99.4 Å²	99.4	50%	0.504	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-30.7	179.2	0	0	0	0	0	113.6
153	K	35.5	Very low	36.9	Very low	182 Å²	182	97.6 Å²	97.6	79%	0.791	58%	0.581	S	S	*	*	H	α-helix	trans	-84.6	-24.4	-174.7	-142.5	172.7	-174.1	178.8	0	114.1	H151	H151-K153 PolarHBondContact O-N 3.2Å
154	T	39.8	Very low	36.3	Very low	100 Å²	100	99 Å²	99	61%	0.613	59%	0.593	S	S	*	*	H	α-helix	trans	-85.7	-26.2	177.5	-43.4	0	0	0	0	112	S150 A158	S150-T154 PolarHBondContact O-OG1 3.21Å; T154-A158 PolarHBondContact O-N 2.76Å
155	L	36.8	Very low	35.7	Very low	122 Å²	122	98.1 Å²	98.1	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-71.5	-33.5	176.2	-80.4	163.5	0	0	0	112.6	H151	H151-L155 WeakPolarHBondContact O-CD1 3.45Å; H151-L155 WeakPolarHBondContact O-CG 3.34Å; H151-L155 PolarHBondContact O-N 2.75Å
156	N	33.9	Very low	35	Very low	112 Å²	112	103.5 Å²	103.5	60%	0.599	63%	0.63	S	S	*	*	H	α-helix	trans	-80.9	-30.2	179.1	-65.2	-3.9	0	0	0	113	S159	N156-S159 PolarHBondContact O-N 3.07Å; N156-S159 PolarHBondContact O-OG 2.86Å
157	A	33.6	Very low	34.5	Very low	63 Å²	63	108.5 Å²	108.5	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-74.8	-25.6	176.4	0	0	0	0	0	112.9
158	A	33.5	Very low	33.6	Very low	66 Å²	66	107.8 Å²	107.8	55%	0.545	66%	0.658	S	S	.	*	H	α-helix	trans	-80.2	-19.1	174.5	0	0	0	0	0	113.2	T154	T154-A158 PolarHBondContact O-N 2.76Å
159	S	33.3	Very low	33.3	Very low	79 Å²	79	110.1 Å²	110.1	55%	0.552	67%	0.669	S	S	*	*	H	α-helix	trans	-80.5	-26.2	175.8	61.6	0	0	0	0	113.3	N156	N156-S159 PolarHBondContact O-N 3.07Å; N156-S159 PolarHBondContact O-OG 2.86Å
160	E	31.6	Very low	33	Very low	158 Å²	158	107.2 Å²	107.2	74%	0.738	67%	0.667	S	S	*	*	H	α-helix	trans	-86.8	-21.6	179.9	-74.8	176.5	161.5	0	0	113.8	S163	E160-S163 PolarHBondContact O-OG 3.02Å
161	A	35.4	Very low	32.6	Very low	79 Å²	79	111.3 Å²	111.3	65%	0.653	68%	0.684	S	S	*	*	S	Bend	trans	-89.6	-6.2	179.9	0	0	0	0	0	114.4
162	A	35.3	Very low	32.5	Very low	64 Å²	64	110.4 Å²	110.4	53%	0.529	69%	0.687	S	S	.	*	S	Bend	trans	-96.9	1.6	-175.1	0	0	0	0	0	114.2
163	S	33.3	Very low	32.4	Very low	105 Å²	105	117.7 Å²	117.7	73%	0.734	70%	0.702	S	S	*	*	S	Bend	trans	-90.8	3.3	179.3	49.1	0	0	0	0	114.2	E160	E160-S163 PolarHBondContact O-OG 3.02Å
164	A	33.5	Very low	32.2	Very low	90 Å²	90	118.6 Å²	118.6	74%	0.744	71%	0.706	S	S	*	*	S	Bend	trans	-136.7	94	178.4	0	0	0	0	0	111.2
165	G	30.2	Very low	32.3	Very low	78 Å²	78	121.3 Å²	121.3	80%	0.804	71%	0.706	S	S	*	*			trans	148.5	101.5	169.7	0	0	0	0	0	114.1	L167	G165-L167 PolarHBondContact O-N 2.96Å
166	Q	25.5	Very low	32.8	Very low	199 Å²	199	119.6 Å²	119.6	93%	0.93	70%	0.697	S	S	*	*			trans	-62.7	108	178.6	-66.8	163.1	-29.2	0	0	112.4
167	L	28.7	Very low	33.4	Very low	160 Å²	160	118.4 Å²	118.4	84%	0.838	70%	0.697	S	S	*	*			trans	-161.8	115.3	143.1	-154.7	66.5	0	0	0	109.4	G165 V169	G165-L167 PolarHBondContact O-N 2.96Å; L167-V169 PolarHBondContact O-N 2.95Å
168	S	24.5	Very low	34.3	Very low	120 Å²	120	116.6 Å²	116.6	84%	0.839	68%	0.684	S	S	*	*			trans	-67.1	106.8	-173.4	50.5	0	0	0	0	112.7
169	V	31.5	Very low	35.7	Very low	122 Å²	122	115.5 Å²	115.5	74%	0.739	67%	0.669	S	S	*	*			trans	-108.5	122.6	162.2	-179.6	0	0	0	0	107.5	L167	L167-V169 PolarHBondContact O-N 2.95Å
170	P	29.1	Very low	37	Very low	111 Å²	111	119.2 Å²	119.2	72%	0.721	67%	0.672	S	S	*	*			trans	-64	146	-173.6	-16.2	28.7	0	0	0	113.2	T172	P170-T172 PolarHBondContact O-N 3.24Å; P170-T172 PolarHBondContact O-OG1 3.26Å
171	D	27.2	Very low	38.5	Very low	147 Å²	147	117.8 Å²	117.8	79%	0.786	67%	0.665	S	S	*	*			trans	-51.8	81	-176.5	-79	-50	0	0	0	116
172	T	35.5	Very low	39.9	Very low	100 Å²	100	114.4 Å²	114.4	61%	0.613	64%	0.636	S	S	*	*			trans	-88.7	1.2	172.7	20.3	0	0	0	0	113.6	P170 K174	P170-T172 PolarHBondContact O-N 3.24Å; P170-T172 PolarHBondContact O-OG1 3.26Å; T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 3.45Å
173	R	33.2	Very low	41.3	Very low	215 Å²	215	115.5 Å²	115.5	81%	0.811	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-11.8	-172.4	-68.5	-178.7	-172.9	170.1	3.7	115.1
174	K	31.6	Very low	42.9	Very low	200 Å²	200	117.3 Å²	117.3	87%	0.87	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-6.5	-178.7	-89.5	-179.8	175.5	175.9	0	115.5	T172	T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 3.45Å
175	Y	40.3	Very low	44.3	Very low	157 Å²	157	116.5 Å²	116.5	62%	0.616	60%	0.602	S	S	*	*			trans	-104.6	-1.5	-170.2	-72.7	-82.9	0	0	0	115.7	S177	Y175-S177 PolarHBondContact O-N 3.05Å; Y175-S177 VanDerWaalsContact O-N 3.16Å
176	I	47.7	Very low	45.9	Very low	87 Å²	87	113.6 Å²	113.6	45%	0.446	57%	0.568	S	S	.	*			trans	-95	66.4	-174.9	-47.2	175.8	0	0	0	110.2	G178	I176-G178 PolarHBondContact O-N 3.33Å
177	S	45.8	Very low	47.6	Very low	87 Å²	87	107 Å²	107	61%	0.608	54%	0.542	S	S	*	.			trans	-85.8	28	162.7	-174.6	0	0	0	0	111.6	Y175	Y175-S177 PolarHBondContact O-N 3.05Å; Y175-S177 VanDerWaalsContact O-N 3.16Å
178	G	53.4	Low	49	Very low	24 Å²	24	110.5 Å²	110.5	25%	0.247	54%	0.544	C	S	.	.	S	Bend	trans	-100.2	172.4	178.8	0	0	0	0	0	113.2	I176 Y180	I176-G178 PolarHBondContact O-N 3.33Å; G178-Y180 PolarHBondContact O-N 3.01Å
179	N	62.3	Low	50.8	Low	43 Å²	43	110.4 Å²	110.4	23%	0.23	53%	0.534	C	S	.	.			trans	-67.5	86.8	179	-169.9	-8	0	0	0	111.9	Y119 H181 L182 Y183 E224	Y119-N179 HydrophobicContact CD1-CB 4.07Å; Y119-N179 HydrophobicContact CG-CB 4.31Å; N179-H181 PolarHBondContact O-N 3.35Å; N179-L182 HydrophobicContact CB-CB 4.23Å; N179-L182 WeakPolarHBondContact O-CB 3.38Å; N179-L182 PolarHBondContact O-N 3.08Å; N179-Y183 PolarHBondContact O-N 3.17Å; N179-Y183 VanDerWaalsContact O-N 3.16Å; N179-E224 WeakPolarHBondContact CB-OE2 3.49Å; N179-E224 PolarHBondContact ND2-OE2 3.22Å
180	Y	60.8	Low	52.3	Low	157 Å²	157	105 Å²	105	62%	0.616	50%	0.502	S	S	*	.	H	α-helix	trans	-54.1	-28.8	-178.2	-166.4	-92.6	0	0	0	113.6	G178 L182 Y183 K184	G178-Y180 PolarHBondContact O-N 3.01Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-Y183 PolarHBondContact O-N 3.36Å; Y180-K184 PolarHBondContact O-N 3.27Å; Y180-K184 VanDerWaalsContact O-N 3.11Å
181	H	63.5	Low	54.2	Low	129 Å²	129	102 Å²	102	60%	0.597	48%	0.478	S	S	*	.	H	α-helix	trans	-71.4	-29.1	178.7	-166.3	-74.7	0	0	0	112.8	N179 K185	N179-H181 PolarHBondContact O-N 3.35Å; H181-K185 VanDerWaalsContact CE1-CE 3.44Å; H181-K185 WeakPolarHBondContact CE1-CE 3.08Å; H181-K185 WeakPolarHBondContact O-CG 3.36Å
182	L	65.2	Low	56.2	Low	7 Å²	7	95.1 Å²	95.1	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-77.9	-44	172.1	-177	61.8	0	0	0	110.1	V35 N179 Y180 K184 K185 L186 E224	V35-L182 HydrophobicContact CG2-CD1 4.49Å; N179-L182 HydrophobicContact CB-CB 4.23Å; N179-L182 WeakPolarHBondContact O-CB 3.38Å; N179-L182 PolarHBondContact O-N 3.08Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.42Å; L182-K185 WeakPolarHBondContact O-CB 3.46Å; L182-K185 PolarHBondContact O-N 2.99Å; L182-L186 HydrophobicContact CD1-CD1 4.47Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-E224 HydrophobicContact CD2-CB 4.29Å; L182-E224 WeakPolarHBondContact CD2-OE2 3.3Å
183	Y	65.2	Low	58	Low	87 Å²	87	90.6 Å²	90.6	34%	0.341	41%	0.414	S	S	.	.	H	α-helix	trans	-55.9	-40.7	179.1	-169.7	-102.6	0	0	0	113.1	N179 Y180 K185 L186 I226	N179-Y183 PolarHBondContact O-N 3.17Å; N179-Y183 VanDerWaalsContact O-N 3.16Å; Y180-Y183 PolarHBondContact O-N 3.36Å; Y183-K185 PolarHBondContact O-N 3.06Å; Y183-L186 PolarHBondContact O-N 3.16Å; Y183-I226 HydrophobicContact CD2-CD1 4.11Å; Y183-I226 HydrophobicContact CD2-CG1 4.28Å; Y183-I226 HydrophobicContact CE2-CD1 3.22Å; Y183-I226 HydrophobicContact CE2-CG1 3.68Å; Y183-I226 VanDerWaalsContact CZ-CD1 3.47Å; Y183-I226 WeakPolarHBondContact OH-CD1 3.41Å
184	K	65.4	Low	59.9	Low	143 Å²	143	80.4 Å²	80.4	62%	0.622	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.3	177	-171.6	174.8	177.8	-176.4	0	114.1	Y180 L182	Y180-K184 PolarHBondContact O-N 3.27Å; Y180-K184 VanDerWaalsContact O-N 3.11Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.42Å
185	K	64	Low	61.9	Low	74 Å²	74	71 Å²	71	32%	0.322	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.3	-178.8	-65.6	178.8	177.8	-175.1	0	113.2	H181 L182 Y183	H181-K185 VanDerWaalsContact CE1-CE 3.44Å; H181-K185 WeakPolarHBondContact CE1-CE 3.08Å; H181-K185 WeakPolarHBondContact O-CG 3.36Å; L182-K185 WeakPolarHBondContact O-CB 3.46Å; L182-K185 PolarHBondContact O-N 2.99Å; Y183-K185 PolarHBondContact O-N 3.06Å
186	L	62.8	Low	63.4	Low	17 Å²	17	63.7 Å²	63.7	9%	0.089	31%	0.306	C	S	.	.	S	Bend	trans	-91.7	147.5	-178.4	-71.8	150.2	0	0	0	110.3	H17 V35 L182 Y183 A190 V225	H17-L186 HydrophobicContact CB-CD2 4.04Å; V35-L186 HydrophobicContact CG1-CD2 3.97Å; L182-L186 HydrophobicContact CD1-CD1 4.47Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 PolarHBondContact O-N 2.91Å; Y183-L186 PolarHBondContact O-N 3.16Å; L186-A190 HydrophobicContact CB-CB 4.12Å; L186-A190 HydrophobicContact CD2-CB 4.11Å; L186-V225 HydrophobicContact CD1-CG1 4.31Å; L186-V225 HydrophobicContact CD1-CG2 3.59Å
187	P	61.6	Low	64.6	Low	60 Å²	60	60.2 Å²	60.2	39%	0.39	29%	0.289	S	S	.	.			trans	-61.9	155.5	169	23.4	-27.6	0	0	0	110.7	D189 A190	P187-D189 PolarHBondContact O-N 2.88Å; P187-A190 HydrophobicContact CG-CB 4.08Å; P187-A190 WeakPolarHBondContact O-CB 3.21Å; P187-A190 PolarHBondContact O-N 3.31Å
188	R	57.7	Low	65.7	Low	234 Å²	234	56.3 Å²	56.3	88%	0.883	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.4	-172.6	-67.9	-178	-179.5	179.7	0.7	113.6
189	D	63.8	Low	66.6	Low	118 Å²	118	60.1 Å²	60.1	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	24.9	-178.7	-55.7	-35.2	0	0	0	112.4	V14 P187 E191	V14-D189 WeakPolarHBondContact CG1-O 3.39Å; P187-D189 PolarHBondContact O-N 2.88Å; D189-E191 PolarHBondContact O-N 3.5Å
190	A	62.6	Low	67	Low	7 Å²	7	59.1 Å²	59.1	6%	0.058	27%	0.268	C	S	.	.			trans	-68.7	125.7	-179.7	0	0	0	0	0	112.1	L186 P187	L186-A190 HydrophobicContact CB-CB 4.12Å; L186-A190 HydrophobicContact CD2-CB 4.11Å; P187-A190 HydrophobicContact CG-CB 4.08Å; P187-A190 WeakPolarHBondContact O-CB 3.21Å; P187-A190 PolarHBondContact O-N 3.31Å
191	E	68.7	Low	67.4	Low	50 Å²	50	59.2 Å²	59.2	23%	0.234	27%	0.274	C	S	.	.			trans	-95.7	157.4	170.6	-61.3	-173.5	160.9	0	0	110.8	P16 H17 D189 N227 C229 Y266	P16-E191 CarbonylContact C-O 3.55Å; P16-E191 VanDerWaalsContact CA-O 3.25Å; P16-E191 WeakPolarHBondContact CA-O 3.49Å; H17-E191 PolarHBondContact N-O 3.43Å; D189-E191 PolarHBondContact O-N 3.5Å; E191-N227 CarbonylContact C-O 3.55Å; E191-C229 HydrophobicContact CB-CB 4.16Å; E191-C229 HydrophobicContact CG-CB 4.46Å; E191-C229 VanDerWaalsContact OE2-CB 3.26Å; E191-C229 WeakPolarHBondContact OE2-CB 3.49Å; E191-C229 PolarHBondContact OE2-SG 3.45Å; E191-Y266 WeakPolarHBondContact OE2-CE1 2.79Å; E191-Y266 PolarHBondContact OE2-OH 3.21Å
192	A	69.7	Low	67.6	Low	2 Å²	2	56.1 Å²	56.1	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.4	176.3	0	0	0	0	0	112.9	H17 T223 N227 L228 C229	H17-A192 CarbonylContact O-C 3.46Å; H17-A192 WeakPolarHBondContact O-CA 3.46Å; H17-A192 WeakPolarHBondContact O-CB 3.28Å; A192-T223 HydrophobicContact CB-CG2 3.95Å; A192-N227 WeakPolarHBondContact CB-O 3.28Å; A192-N227 PolarHBondContact N-O 3.37Å; A192-L228 HydrophobicContact CB-CD1 4.3Å; A192-L228 WeakPolarHBondContact O-CA 3.4Å; A192-C229 PolarHBondContact O-N 3.05Å
193	S	72.1	Confident	67.9	Low	4 Å²	4	56.4 Å²	56.4	3%	0.028	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	170.7	176.7	0	0	0	0	109.7	H17 Q18 L19 L230	H17-S193 PolarHBondContact O-N 3.46Å; Q18-S193 WeakPolarHBondContact CA-O 3.4Å; L19-S193 PolarHBondContact N-O 2.93Å; L19-S193 VanDerWaalsContact N-O 3.07Å; S193-L230 WeakPolarHBondContact CA-O 3.1Å
194	N	73.6	Confident	68.1	Low	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.7	179.6	-85.1	11.5	0	0	0	111.6	L19 L222 T223 L228 L230 L232	L19-N194 WeakPolarHBondContact CB-OD1 3.06Å; N194-L222 HydrophobicContact CB-CD2 4.16Å; N194-L222 WeakPolarHBondContact ND2-CD2 3.42Å; N194-L222 VanDerWaalsContact ND2-CG 3.3Å; N194-L222 WeakPolarHBondContact ND2-CG 3.45Å; N194-L222 PolarHBondContact ND2-O 3.16Å; N194-T223 VanDerWaalsContact CG-CG2 3.42Å; N194-T223 WeakPolarHBondContact ND2-CG2 3.38Å; N194-T223 WeakPolarHBondContact OD1-CG2 3.12Å; N194-L228 HydrophobicContact CB-CD1 3.92Å; N194-L230 PolarHBondContact N-O 3.28Å; N194-L232 PolarHBondContact O-N 2.82Å
195	V	73	Confident	68.3	Low	2 Å²	2	56.7 Å²	56.7	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.3	175.1	-175.8	0	0	0	0	108.7	L19 F20 T21 I197 L232 A250	L19-V195 PolarHBondContact O-N 3.05Å; F20-V195 HydrophobicContact CD2-CB 4.4Å; F20-V195 HydrophobicContact CD2-CG1 4.32Å; T21-V195 PolarHBondContact N-O 3.45Å; T21-V195 PolarHBondContact OG1-O 3.17Å; V195-I197 HydrophobicContact CG1-CD1 4.2Å; V195-I197 HydrophobicContact CG1-CG1 4.08Å; V195-L232 WeakPolarHBondContact CA-O 3.21Å; V195-L232 HydrophobicContact CG2-CB 4.39Å; V195-A250 HydrophobicContact CB-CB 4.07Å; V195-A250 HydrophobicContact CG1-CB 4Å; V195-A250 HydrophobicContact CG2-CB 4.3Å
196	L	73.3	Confident	68.7	Low	4 Å²	4	57.4 Å²	57.4	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.9	-179	-69.4	164.6	0	0	0	109	T21 W28 H115 L232 L233 A234	T21-L196 WeakPolarHBondContact OG1-CD2 3.35Å; W28-L196 HydrophobicContact CD2-CD2 3.77Å; W28-L196 HydrophobicContact CE3-CD2 3.68Å; W28-L196 HydrophobicContact CG-CD2 4.4Å; W28-L196 HydrophobicContact CH2-CB 3.85Å; W28-L196 HydrophobicContact CH2-CD2 4.14Å; W28-L196 HydrophobicContact CZ2-CB 4.41Å; W28-L196 HydrophobicContact CZ2-CD2 4.22Å; W28-L196 HydrophobicContact CZ3-CB 3.98Å; W28-L196 HydrophobicContact CZ3-CD2 3.86Å; H115-L196 WeakPolarHBondContact NE2-CD2 3.3Å; L196-L232 PolarHBondContact N-O 3.44Å; L196-L233 HydrophobicContact CB-CD2 4.11Å; L196-L233 HydrophobicContact CD1-CD2 3.52Å; L196-L233 HydrophobicContact CD1-CG 4.17Å; L196-L233 HydrophobicContact CG-CD2 4.45Å; L196-A234 PolarHBondContact O-N 2.91Å
197	I	72.3	Confident	69.3	Low	14 Å²	14	56.8 Å²	56.8	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.8	175.8	-57.1	-174.6	0	0	0	110.5	F20 T21 M23 W28 V195 A234 R246 T249	F20-I197 HydrophobicContact CD2-CD1 4.46Å; F20-I197 HydrophobicContact CE2-CB 3.89Å; F20-I197 HydrophobicContact CE2-CD1 3.46Å; F20-I197 VanDerWaalsContact CE2-CD1 3.46Å; F20-I197 HydrophobicContact CE2-CG1 3.69Å; F20-I197 HydrophobicContact CZ-CB 4.34Å; F20-I197 HydrophobicContact CZ-CD1 4.11Å; F20-I197 HydrophobicContact CZ-CG1 4.5Å; T21-I197 PolarHBondContact O-N 3.47Å; M23-I197 PolarHBondContact N-O 3.05Å; W28-I197 WeakPolarHBondContact CZ3-O 3.36Å; V195-I197 HydrophobicContact CG1-CD1 4.2Å; V195-I197 HydrophobicContact CG1-CG1 4.08Å; I197-A234 WeakPolarHBondContact CA-O 3.14Å; I197-A234 HydrophobicContact CG1-CB 4.47Å; I197-R246 HydrophobicContact CD1-CB 4.34Å; I197-R246 WeakPolarHBondContact CD1-O 3.12Å; I197-R246 HydrophobicContact CG2-CB 4.32Å; I197-R246 HydrophobicContact CG2-CG 4.19Å; I197-T249 WeakPolarHBondContact CD1-OG1 3.49Å
198	G	69.7	Low	70	Confident	5 Å²	5	54.6 Å²	54.6	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.5	178.8	0	0	0	0	0	112.2	A234 S236	G198-A234 PolarHBondContact N-O 2.92Å; G198-S236 PolarHBondContact O-N 2.86Å
199	Q	70.9	Confident	71.1	Confident	105 Å²	105	43.7 Å²	43.7	49%	0.491	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.5	169.2	-176.7	177.7	-3.6	0	0	109.1
200	L	71.3	Confident	72	Confident	22 Å²	22	38.3 Å²	38.3	12%	0.115	19%	0.193	C	C	.	.			trans	-117.5	127.6	175.1	-73.5	161.5	0	0	0	108.7	I106 V107 A110 S202 L203 F235	I106-L200 HydrophobicContact CG2-CD2 4.17Å; V107-L200 HydrophobicContact CG2-CD1 4.23Å; A110-L200 HydrophobicContact CB-CD1 3.81Å; A110-L200 HydrophobicContact CB-CD2 3.92Å; A110-L200 HydrophobicContact CB-CG 4.37Å; L200-S202 PolarHBondContact O-N 3.14Å; L200-L203 HydrophobicContact CB-CD1 4.02Å; L200-L203 HydrophobicContact CB-CG 4.2Å; L200-L203 HydrophobicContact CD1-CD1 4.04Å; L200-F235 HydrophobicContact CD1-CD1 3.85Å; L200-F235 HydrophobicContact CD1-CE1 4.09Å
201	Q	68.5	Low	72.9	Confident	158 Å²	158	38 Å²	38	74%	0.738	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.8	-176.9	-60.9	-172.2	-14.1	0	0	112.9	F238	Q201-F238 HydrophobicContact CB-CE2 3.86Å; Q201-F238 HydrophobicContact CG-CE2 3.76Å; Q201-F238 HydrophobicContact CG-CZ 4.42Å
202	S	68.8	Low	73.6	Confident	64 Å²	64	36.3 Å²	36.3	45%	0.448	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.8	-174.2	-46.7	0	0	0	0	115	N103 L200	N103-S202 PolarHBondContact ND2-O 2.94Å; L200-S202 PolarHBondContact O-N 3.14Å
203	L	71.4	Confident	74	Confident	14 Å²	14	36.5 Å²	36.5	7%	0.073	18%	0.182	C	C	.	.			trans	-85.9	146.5	174.7	-69.9	174.8	0	0	0	109	L99 N103 V107 L200 L207 F235 S237	L99-L203 HydrophobicContact CD1-CD2 3.97Å; N103-L203 HydrophobicContact CB-CD2 4.24Å; V107-L203 HydrophobicContact CG2-CD1 4.3Å; V107-L203 HydrophobicContact CG2-CD2 3.98Å; V107-L203 HydrophobicContact CG2-CG 4.49Å; L200-L203 HydrophobicContact CB-CD1 4.02Å; L200-L203 HydrophobicContact CB-CG 4.2Å; L200-L203 HydrophobicContact CD1-CD1 4.04Å; L203-L207 HydrophobicContact CD1-CD1 3.77Å; L203-L207 HydrophobicContact CD1-CG 4.33Å; L203-L207 HydrophobicContact CD2-CD1 3.84Å; L203-L207 HydrophobicContact CG-CD1 4.48Å; L203-F235 HydrophobicContact CD1-CB 3.91Å; L203-S237 WeakPolarHBondContact O-CB 3.09Å
204	E	68.3	Low	74.5	Confident	123 Å²	123	42.9 Å²	42.9	58%	0.575	21%	0.211	S	C	*	.	S	Bend	trans	-100.7	-31	173.8	-74.2	169.8	-152.2	0	0	111.8	R100 S237	R100-E204 IonicContact CZ-OE1 3.35Å; R100-E204 IonicContact CZ-OE2 3.74Å; R100-E204 VanDerWaalsContact CZ-OE2 3.25Å; R100-E204 IonicContact NH1-OE1 3.54Å; R100-E204 PolarHBondContact NH1-OE1 3.12Å; R100-E204 IonicContact NH1-OE2 3.61Å; R100-E204 PolarHBondContact NH1-OE2 3.41Å; R100-E204 IonicContact NH2-OE1 2.8Å; R100-E204 IonicContact NH2-OE2 2.97Å; R100-E204 PolarHBondContact NH2-OE2 3.38Å; E204-S237 PolarHBondContact O-OG 3.36Å
205	N	70.4	Confident	74.6	Confident	112 Å²	112	50.5 Å²	50.5	60%	0.599	25%	0.245	S	C	*	.	S	Bend	trans	-119	150.1	-179.4	-64.9	-30.8	0	0	0	111.6	L207 S237	N205-L207 PolarHBondContact O-N 2.93Å; N205-S237 WeakPolarHBondContact CA-OG 3.44Å; N205-S237 PolarHBondContact N-OG 3.43Å; N205-S237 PolarHBondContact O-OG 3.41Å
206	R	71.2	Confident	74.5	Confident	90 Å²	90	51.6 Å²	51.6	34%	0.34	25%	0.253	S	S	.	.			trans	-63	129	168.4	-177.1	-179.4	178.9	162.5	1.3	109.8	E63 C67 F235	E63-R206 IonicContact OE2-CZ 3.75Å; E63-R206 IonicContact OE2-NH1 3.19Å; E63-R206 PolarHBondContact OE2-NH1 3.02Å; E63-R206 IonicContact OE2-NH2 3.34Å; C67-R206 PolarHBondContact SG-NH2 3.13Å; R206-F235 CarbonylContact C-O 3.54Å; R206-F235 WeakPolarHBondContact CA-O 3.46Å; R206-F235 WeakPolarHBondContact CG-O 3.45Å
207	L	76.1	Confident	74.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.1	171.8	-50.3	171.8	0	0	0	108.9	L93 F98 L99 V107 L203 N205 A234 F235	L93-L207 HydrophobicContact CD2-CD2 4.43Å; F98-L207 HydrophobicContact CB-CD2 3.88Å; F98-L207 VanDerWaalsContact O-CD2 3.3Å; F98-L207 WeakPolarHBondContact O-CD2 3.35Å; L99-L207 HydrophobicContact CD1-CD1 3.95Å; V107-L207 HydrophobicContact CG2-CD1 4.39Å; L203-L207 HydrophobicContact CD1-CD1 3.77Å; L203-L207 HydrophobicContact CD1-CG 4.33Å; L203-L207 HydrophobicContact CD2-CD1 3.84Å; L203-L207 HydrophobicContact CG-CD1 4.48Å; N205-L207 PolarHBondContact O-N 2.93Å; L207-A234 CarbonylContact O-C 3.59Å; L207-A234 WeakPolarHBondContact O-CA 3.43Å; L207-F235 HydrophobicContact CB-CB 4.14Å; L207-F235 HydrophobicContact CD1-CB 4.46Å; L207-F235 PolarHBondContact N-O 3.28Å; L207-F235 PolarHBondContact O-N 3.18Å
208	S	76.8	Confident	74.2	Confident	15 Å²	15	56.7 Å²	56.7	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.3	172.6	50.1	0	0	0	0	109.5	G71 V72	G71-S208 CarbonylContact C-O 3.45Å; G71-S208 WeakPolarHBondContact CA-O 3.37Å; G71-S208 VanDerWaalsContact CA-OG 3.23Å; G71-S208 WeakPolarHBondContact CA-OG 3.07Å; V72-S208 PolarHBondContact N-O 2.99Å
209	V	80.7	Confident	74.2	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.2	177.8	-171.9	0	0	0	0	109.1	V72 I74 A89 L93 I211 L233	V72-V209 HydrophobicContact CB-CG1 4.49Å; V72-V209 HydrophobicContact CB-CG2 4.34Å; V72-V209 HydrophobicContact CG1-CG1 4.48Å; V72-V209 CarbonylContact O-C 3.47Å; V72-V209 VanDerWaalsContact O-CA 3.23Å; V72-V209 WeakPolarHBondContact O-CA 3.16Å; I74-V209 HydrophobicContact CD1-CG1 4.37Å; A89-V209 HydrophobicContact CB-CG1 4.26Å; L93-V209 HydrophobicContact CD1-CG2 3.62Å; L93-V209 HydrophobicContact CD2-CG2 3.66Å; L93-V209 HydrophobicContact CG-CG2 3.7Å; V209-I211 HydrophobicContact CG1-CD1 4.12Å; V209-I211 HydrophobicContact CG1-CG1 3.78Å; V209-L233 HydrophobicContact CB-CB 4.12Å; V209-L233 PolarHBondContact N-O 2.98Å; V209-L233 PolarHBondContact O-N 3.29Å; V209-L233 VanDerWaalsContact O-O 3.1Å
210	F	82.3	Confident	73.9	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.2	171.7	179.8	-94.6	0	0	0	109.1	F68 V72 V73 I74 L75 R212 L230 L232 L274	F68-F210 HydrophobicContact CE1-CB 4.24Å; F68-F210 AromaticContact CE1-CD2 3.61Å; F68-F210 HydrophobicContact CE1-CD2 3.61Å; F68-F210 HydrophobicContact CE1-CE2 4.03Å; F68-F210 AromaticContact CE1-CG 3.96Å; F68-F210 HydrophobicContact CE1-CG 3.96Å; F68-F210 HydrophobicContact CZ-CD2 4.25Å; F68-F210 HydrophobicContact CZ-CE2 4.32Å; V72-F210 PolarHBondContact O-N 3.38Å; V73-F210 HydrophobicContact CG1-CD1 3.91Å; V73-F210 HydrophobicContact CG2-CB 4.43Å; I74-F210 PolarHBondContact N-O 3.49Å; L75-F210 HydrophobicContact CD2-CD1 4.22Å; L75-F210 HydrophobicContact CD2-CE1 3.88Å; F210-R212 HydrophobicContact CE1-CB 4.46Å; F210-L230 HydrophobicContact CE1-CD1 4.13Å; F210-L230 HydrophobicContact CE2-CD1 4Å; F210-L230 HydrophobicContact CE2-CD2 4.18Å; F210-L230 HydrophobicContact CE2-CG 4.37Å; F210-L230 HydrophobicContact CZ-CD1 3.58Å; F210-L230 HydrophobicContact CZ-CD2 4.31Å; F210-L230 HydrophobicContact CZ-CG 4.4Å; F210-L232 HydrophobicContact CD2-CB 4.44Å; F210-L232 HydrophobicContact CD2-CD1 3.51Å; F210-L232 HydrophobicContact CD2-CG 3.85Å; F210-L232 HydrophobicContact CE2-CD1 3.96Å; F210-L274 HydrophobicContact CD1-CD1 3.96Å; F210-L274 HydrophobicContact CE1-CD1 3.76Å; F210-L274 HydrophobicContact CE1-CD2 4.32Å; F210-L274 HydrophobicContact CZ-CD1 4.29Å; F210-L274 HydrophobicContact CZ-CD2 4.25Å
211	I	82	Confident	73.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.9	-178.6	-51.9	178.2	0	0	0	109.8	I74 M77 V85 A89 V209 L213 L230 C231 L233	I74-I211 WeakPolarHBondContact O-CA 3.06Å; M77-I211 HydrophobicContact CB-CG2 4.24Å; M77-I211 HydrophobicContact CE-CD1 4.1Å; M77-I211 HydrophobicContact CE-CG1 4.3Å; M77-I211 HydrophobicContact CE-CG2 3.67Å; M77-I211 HydrophobicContact SD-CG2 4.12Å; V85-I211 HydrophobicContact CG1-CD1 3.68Å; V85-I211 HydrophobicContact CG1-CG2 4.36Å; A89-I211 HydrophobicContact CB-CD1 3.86Å; V209-I211 HydrophobicContact CG1-CD1 4.12Å; V209-I211 HydrophobicContact CG1-CG1 3.78Å; I211-L213 HydrophobicContact CG2-CD2 4.43Å; I211-L230 WeakPolarHBondContact O-CD1 3.25Å; I211-C231 WeakPolarHBondContact CA-O 3.34Å; I211-C231 HydrophobicContact CB-CB 4.33Å; I211-C231 VanDerWaalsContact CB-O 3.3Å; I211-C231 WeakPolarHBondContact CB-O 3.5Å; I211-C231 PolarHBondContact N-O 3.23Å; I211-C231 PolarHBondContact O-N 3.14Å; I211-C231 VanDerWaalsContact O-O 3.12Å; I211-L233 HydrophobicContact CD1-CD1 3.41Å; I211-L233 VanDerWaalsContact CD1-CD1 3.41Å; I211-L233 HydrophobicContact CG1-CD1 4.22Å
212	R	82.6	Confident	73.6	Confident	14 Å²	14	54 Å²	54	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	163.3	-175.5	179.4	74.4	-158	1.4	109.4	I74 L75 D76 M77 F210 L230 A265 Y266 A268	I74-R212 PolarHBondContact O-N 3.29Å; L75-R212 HydrophobicContact CD2-CB 4.23Å; D76-R212 WeakPolarHBondContact CA-O 3.41Å; D76-R212 PolarHBondContact N-O 3.25Å; D76-R212 IonicContact OD1-CZ 3.85Å; D76-R212 VanDerWaalsContact OD1-CZ 3.23Å; D76-R212 IonicContact OD1-NE 3.71Å; D76-R212 PolarHBondContact OD1-NE 3.37Å; D76-R212 IonicContact OD1-NH2 2.79Å; D76-R212 PolarHBondContact OD1-NH2 3.36Å; D76-R212 IonicContact OD2-CZ 3.53Å; D76-R212 IonicContact OD2-NH2 3.44Å; D76-R212 PolarHBondContact OD2-NH2 2.98Å; M77-R212 PolarHBondContact N-O 3.44Å; F210-R212 HydrophobicContact CE1-CB 4.46Å; R212-L230 HydrophobicContact CB-CD1 3.93Å; R212-L230 HydrophobicContact CG-CD1 4.23Å; R212-A265 PolarHBondContact NH1-O 3.33Å; R212-Y266 PolarHBondContact NH1-O 3.32Å; R212-A268 PolarHBondContact NH1-O 3.21Å; R212-A268 PolarHBondContact NH2-O 3.26Å
213	L	79.8	Confident	73.5	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145	174.3	-63.5	171.4	0	0	0	110.1	M77 A79 V85 I211 K215 F219 L228 C229	M77-L213 HydrophobicContact CB-CD2 4.38Å; M77-L213 WeakPolarHBondContact O-CA 3.48Å; A79-L213 HydrophobicContact CB-CD2 4.48Å; V85-L213 HydrophobicContact CG2-CD2 4.1Å; I211-L213 HydrophobicContact CG2-CD2 4.43Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 WeakPolarHBondContact CB-O 3.48Å; L213-F219 HydrophobicContact CD1-CE2 3.62Å; L213-F219 HydrophobicContact CD1-CZ 3.84Å; L213-L228 HydrophobicContact CD1-CD2 4.49Å; L213-C229 WeakPolarHBondContact CB-O 3.44Å; L213-C229 PolarHBondContact N-O 3Å; L213-C229 VanDerWaalsContact N-O 3.09Å
214	H	80.7	Confident	73	Confident	139 Å²	139	51.3 Å²	51.3	64%	0.644	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	-35.2	176.4	-179.8	61	0	0	0	112.3	D76 M77	D76-H214 HydrophobicContact CB-CB 4.37Å; M77-H214 PolarHBondContact O-N 3.35Å
215	K	76.2	Confident	72.6	Confident	161 Å²	161	45.7 Å²	45.7	70%	0.7	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.6	176.2	-173.6	-179.4	178.7	-175.1	0	108.5	L213 C217	L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 WeakPolarHBondContact CB-O 3.48Å; K215-C217 PolarHBondContact O-N 2.8Å
216	A	70.8	Confident	71.9	Confident	24 Å²	24	43.3 Å²	43.3	20%	0.198	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.7	175.1	0	0	0	0	0	110.5	N227 L228 C229	A216-N227 HydrophobicContact CB-CB 4.02Å; A216-L228 CarbonylContact C-O 3.54Å; A216-L228 WeakPolarHBondContact CA-O 3.14Å; A216-C229 HydrophobicContact CB-CB 4.22Å
217	C	70.3	Confident	71.1	Confident	28 Å²	28	41.9 Å²	41.9	19%	0.189	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.2	-177.7	-69.8	0	0	0	0	110	A79 K215 F219 L228	A79-C217 PolarHBondContact O-SG 2.9Å; A79-C217 VanDerWaalsContact O-SG 3.41Å; K215-C217 PolarHBondContact O-N 2.8Å; C217-F219 HydrophobicContact CB-CE1 4.45Å; C217-F219 HydrophobicContact CB-CE2 3.92Å; C217-F219 HydrophobicContact CB-CZ 3.83Å; C217-L228 PolarHBondContact N-O 3.2Å; C217-L228 WeakPolarHBondContact O-CB 3.38Å; C217-L228 PolarHBondContact O-N 2.71Å
218	Y	70.4	Confident	70.1	Confident	98 Å²	98	41.9 Å²	41.9	38%	0.384	21%	0.205	S	C	.	.			trans	-86.3	117.3	173.3	-178.8	-116.3	0	0	0	109.8	Q220 I226	Y218-Q220 HydrophobicContact CE1-CB 4.3Å; Y218-I226 WeakPolarHBondContact CB-O 3.39Å; Y218-I226 WeakPolarHBondContact CD2-O 3.34Å
219	F	69.4	Low	69.1	Low	6 Å²	6	41.7 Å²	41.7	3%	0.026	20%	0.203	C	C	.	.			trans	-103	113.2	171.4	-57.6	-77.9	0	0	0	109.4	G81 L82 V85 L213 C217 N221 L222 L228	G81-F219 VanDerWaalsContact C-CE1 3.42Å; L82-F219 HydrophobicContact CB-CD1 3.78Å; L82-F219 HydrophobicContact CB-CE1 4.4Å; L82-F219 HydrophobicContact CB-CG 4.45Å; L82-F219 VanDerWaalsContact N-CD1 3.34Å; V85-F219 HydrophobicContact CG2-CE1 4.1Å; V85-F219 HydrophobicContact CG2-CZ 3.92Å; L213-F219 HydrophobicContact CD1-CE2 3.62Å; L213-F219 HydrophobicContact CD1-CZ 3.84Å; C217-F219 HydrophobicContact CB-CE1 4.45Å; C217-F219 HydrophobicContact CB-CE2 3.92Å; C217-F219 HydrophobicContact CB-CZ 3.83Å; F219-N221 PolarHBondContact O-N 3.34Å; F219-L222 HydrophobicContact CB-CB 3.85Å; F219-L222 PolarHBondContact O-N 3.44Å; F219-L228 HydrophobicContact CD2-CB 3.64Å; F219-L228 HydrophobicContact CD2-CD2 3.32Å; F219-L228 HydrophobicContact CD2-CG 4.07Å; F219-L228 HydrophobicContact CE2-CB 3.86Å; F219-L228 HydrophobicContact CE2-CD2 3.39Å; F219-L228 HydrophobicContact CE2-CG 4.16Å; F219-L228 HydrophobicContact CG-CD2 4.48Å
220	Q	64.5	Low	67.8	Low	138 Å²	138	42.2 Å²	42.2	65%	0.645	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	130.7	177.9	-166.9	170.1	-0.8	0	0	109.9	Y218 L222	Y218-Q220 HydrophobicContact CE1-CB 4.3Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-L222 PolarHBondContact O-N 3.42Å
221	N	65.7	Low	66.5	Low	87 Å²	87	42.1 Å²	42.1	47%	0.465	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-2.6	-177.8	-50.5	-25.4	0	0	0	117.4	H115 H117 F219	H115-N221 WeakPolarHBondContact CB-O 3.42Å; H117-N221 PolarHBondContact CE1-O 3.31Å; H117-N221 PolarHBondContact NE2-O 2.96Å; H117-N221 VanDerWaalsContact NE2-O 3.08Å; F219-N221 PolarHBondContact O-N 3.34Å
222	L	67.7	Low	65.3	Low	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-39.5	177.3	-157	100.4	0	0	0	112.1	L82 H115 N194 F219 Q220 L228	L82-L222 HydrophobicContact CD1-CD1 3.73Å; L82-L222 HydrophobicContact CD2-CD1 3.61Å; L82-L222 HydrophobicContact CG-CD1 4.32Å; H115-L222 WeakPolarHBondContact NE2-CD1 3.35Å; N194-L222 HydrophobicContact CB-CD2 4.16Å; N194-L222 WeakPolarHBondContact ND2-CD2 3.42Å; N194-L222 VanDerWaalsContact ND2-CG 3.3Å; N194-L222 WeakPolarHBondContact ND2-CG 3.45Å; N194-L222 PolarHBondContact ND2-O 3.16Å; F219-L222 HydrophobicContact CB-CB 3.85Å; F219-L222 PolarHBondContact O-N 3.44Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-L222 PolarHBondContact O-N 3.42Å; L222-L228 HydrophobicContact CD2-CD1 4.19Å; L222-L228 HydrophobicContact CD2-CD2 3.61Å
223	T	65.4	Low	64	Low	4 Å²	4	42.1 Å²	42.1	3%	0.025	21%	0.207	C	C	.	.			trans	-131.4	143.8	-178.7	46.8	0	0	0	0	111.8	A192 N194 V225 L228	A192-T223 HydrophobicContact CB-CG2 3.95Å; N194-T223 VanDerWaalsContact CG-CG2 3.42Å; N194-T223 WeakPolarHBondContact ND2-CG2 3.38Å; N194-T223 WeakPolarHBondContact OD1-CG2 3.12Å; T223-V225 PolarHBondContact O-N 3.31Å; T223-V225 PolarHBondContact OG1-O 3.45Å; T223-V225 VanDerWaalsContact OG1-O 3.05Å; T223-L228 HydrophobicContact CG2-CD1 3.59Å
224	E	62.3	Low	62.7	Low	19 Å²	19	42.2 Å²	42.2	9%	0.089	21%	0.208	C	C	.	.	S	Bend	trans	-71.1	-8.7	173.3	-56.5	-170.5	-172.1	0	0	112.9	Q30 H117 Y119 N179 L182	Q30-E224 PolarHBondContact NE2-OE1 2.87Å; Q30-E224 PolarHBondContact OE1-OE1 3.19Å; H117-E224 HydrophobicContact CB-CG 4.46Å; Y119-E224 HydrophobicContact CD1-CG 4.21Å; Y119-E224 WeakPolarHBondContact CD1-OE1 2.92Å; Y119-E224 HydrophobicContact CE1-CG 3.93Å; N179-E224 WeakPolarHBondContact CB-OE2 3.49Å; N179-E224 PolarHBondContact ND2-OE2 3.22Å; L182-E224 HydrophobicContact CD2-CB 4.29Å; L182-E224 WeakPolarHBondContact CD2-OE2 3.3Å
225	V	59.7	Low	61.4	Low	4 Å²	4	35.8 Å²	35.8	2%	0.024	18%	0.178	C	C	.	.	S	Bend	trans	-116.9	153.3	-172.4	-173.6	0	0	0	0	110.5	H17 L186 T223 N227	H17-V225 VanDerWaalsContact CD2-CG2 3.45Å; H17-V225 WeakPolarHBondContact CD2-CG2 3.35Å; L186-V225 HydrophobicContact CD1-CG1 4.31Å; L186-V225 HydrophobicContact CD1-CG2 3.59Å; T223-V225 PolarHBondContact O-N 3.31Å; T223-V225 PolarHBondContact OG1-O 3.45Å; T223-V225 VanDerWaalsContact OG1-O 3.05Å; V225-N227 PolarHBondContact O-N 3.13Å
226	I	55.4	Low	60.3	Low	63 Å²	63	30.4 Å²	30.4	32%	0.323	16%	0.161	S	C	.	.	S	Bend	trans	-70.5	-20.5	-161.7	-57.7	-176.8	0	0	0	113.8	Y183 Y218	Y183-I226 HydrophobicContact CD2-CD1 4.11Å; Y183-I226 HydrophobicContact CD2-CG1 4.28Å; Y183-I226 HydrophobicContact CE2-CD1 3.22Å; Y183-I226 HydrophobicContact CE2-CG1 3.68Å; Y183-I226 VanDerWaalsContact CZ-CD1 3.47Å; Y183-I226 WeakPolarHBondContact OH-CD1 3.41Å; Y218-I226 WeakPolarHBondContact CB-O 3.39Å; Y218-I226 WeakPolarHBondContact CD2-O 3.34Å
227	N	55.5	Low	59	Low	60 Å²	60	29.8 Å²	29.8	32%	0.321	16%	0.155	S	C	.	.			trans	-136.1	120.4	-173.9	-63.7	-27.7	0	0	0	111.4	E191 A192 A216 V225	E191-N227 CarbonylContact C-O 3.55Å; A192-N227 WeakPolarHBondContact CB-O 3.28Å; A192-N227 PolarHBondContact N-O 3.37Å; A216-N227 HydrophobicContact CB-CB 4.02Å; V225-N227 PolarHBondContact O-N 3.13Å
228	L	53.9	Low	57.4	Low	3 Å²	3	34.7 Å²	34.7	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	170.4	-171.6	82.8	0	0	0	109.5	A192 N194 L213 A216 C217 F219 L222 T223 C231	A192-L228 HydrophobicContact CB-CD1 4.3Å; A192-L228 WeakPolarHBondContact O-CA 3.4Å; N194-L228 HydrophobicContact CB-CD1 3.92Å; L213-L228 HydrophobicContact CD1-CD2 4.49Å; A216-L228 CarbonylContact C-O 3.54Å; A216-L228 WeakPolarHBondContact CA-O 3.14Å; C217-L228 PolarHBondContact N-O 3.2Å; C217-L228 WeakPolarHBondContact O-CB 3.38Å; C217-L228 PolarHBondContact O-N 2.71Å; F219-L228 HydrophobicContact CD2-CB 3.64Å; F219-L228 HydrophobicContact CD2-CD2 3.32Å; F219-L228 HydrophobicContact CD2-CG 4.07Å; F219-L228 HydrophobicContact CE2-CB 3.86Å; F219-L228 HydrophobicContact CE2-CD2 3.39Å; F219-L228 HydrophobicContact CE2-CG 4.16Å; F219-L228 HydrophobicContact CG-CD2 4.48Å; L222-L228 HydrophobicContact CD2-CD1 4.19Å; L222-L228 HydrophobicContact CD2-CD2 3.61Å; T223-L228 HydrophobicContact CG2-CD1 3.59Å; L228-C231 HydrophobicContact CD2-CB 4.41Å
229	C	55	Low	55.7	Low	10 Å²	10	34.7 Å²	34.7	7%	0.068	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-33.2	177.2	-170.1	0	0	0	0	113.4	E191 A192 L213 A216 Y266	E191-C229 HydrophobicContact CB-CB 4.16Å; E191-C229 HydrophobicContact CG-CB 4.46Å; E191-C229 VanDerWaalsContact OE2-CB 3.26Å; E191-C229 WeakPolarHBondContact OE2-CB 3.49Å; E191-C229 PolarHBondContact OE2-SG 3.45Å; A192-C229 PolarHBondContact O-N 3.05Å; L213-C229 WeakPolarHBondContact CB-O 3.44Å; L213-C229 PolarHBondContact N-O 3Å; L213-C229 VanDerWaalsContact N-O 3.09Å; A216-C229 HydrophobicContact CB-CB 4.22Å; C229-Y266 VanDerWaalsContact SG-CE1 3.54Å
230	L	55	Low	54.2	Low	16 Å²	16	42.8 Å²	42.8	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.4	-172.8	-167.3	73.4	0	0	0	111.4	S193 N194 F210 I211 R212 V253	S193-L230 WeakPolarHBondContact CA-O 3.1Å; N194-L230 PolarHBondContact N-O 3.28Å; F210-L230 HydrophobicContact CE1-CD1 4.13Å; F210-L230 HydrophobicContact CE2-CD1 4Å; F210-L230 HydrophobicContact CE2-CD2 4.18Å; F210-L230 HydrophobicContact CE2-CG 4.37Å; F210-L230 HydrophobicContact CZ-CD1 3.58Å; F210-L230 HydrophobicContact CZ-CD2 4.31Å; F210-L230 HydrophobicContact CZ-CG 4.4Å; I211-L230 WeakPolarHBondContact O-CD1 3.25Å; R212-L230 HydrophobicContact CB-CD1 3.93Å; R212-L230 HydrophobicContact CG-CD1 4.23Å; L230-V253 HydrophobicContact CD2-CG1 4.1Å
231	C	55.5	Low	53.1	Low	4 Å²	4	40.2 Å²	40.2	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.5	176.8	-170.5	0	0	0	0	110.4	I211 L228	I211-C231 WeakPolarHBondContact CA-O 3.34Å; I211-C231 HydrophobicContact CB-CB 4.33Å; I211-C231 VanDerWaalsContact CB-O 3.3Å; I211-C231 WeakPolarHBondContact CB-O 3.5Å; I211-C231 PolarHBondContact N-O 3.23Å; I211-C231 PolarHBondContact O-N 3.14Å; I211-C231 VanDerWaalsContact O-O 3.12Å; L228-C231 HydrophobicContact CD2-CB 4.41Å
232	L	54.9	Low	52.2	Low	9 Å²	9	45.4 Å²	45.4	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.2	175.2	-155.5	155.7	0	0	0	108.5	F68 N194 V195 L196 F210 A234 V253	F68-L232 HydrophobicContact CZ-CD1 4.49Å; N194-L232 PolarHBondContact O-N 2.82Å; V195-L232 WeakPolarHBondContact CA-O 3.21Å; V195-L232 HydrophobicContact CG2-CB 4.39Å; L196-L232 PolarHBondContact N-O 3.44Å; F210-L232 HydrophobicContact CD2-CB 4.44Å; F210-L232 HydrophobicContact CD2-CD1 3.51Å; F210-L232 HydrophobicContact CD2-CG 3.85Å; F210-L232 HydrophobicContact CE2-CD1 3.96Å; L232-A234 HydrophobicContact CD2-CB 4.49Å; L232-V253 HydrophobicContact CD1-CG2 4.23Å
233	L	55.6	Low	51.5	Low	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110	-175.2	-74	138.5	0	0	0	109	L111 L196 V209 I211 F235	L111-L233 HydrophobicContact CD2-CD2 3.12Å; L111-L233 HydrophobicContact CG-CD2 4.46Å; L196-L233 HydrophobicContact CB-CD2 4.11Å; L196-L233 HydrophobicContact CD1-CD2 3.52Å; L196-L233 HydrophobicContact CD1-CG 4.17Å; L196-L233 HydrophobicContact CG-CD2 4.45Å; V209-L233 HydrophobicContact CB-CB 4.12Å; V209-L233 PolarHBondContact N-O 2.98Å; V209-L233 PolarHBondContact O-N 3.29Å; V209-L233 VanDerWaalsContact O-O 3.1Å; I211-L233 HydrophobicContact CD1-CD1 3.41Å; I211-L233 VanDerWaalsContact CD1-CD1 3.41Å; I211-L233 HydrophobicContact CG1-CD1 4.22Å; L233-F235 HydrophobicContact CD2-CE2 4.37Å
234	A	53.3	Low	51	Low	7 Å²	7	54.7 Å²	54.7	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118	176.1	0	0	0	0	0	111	L196 I197 G198 L207 L232	L196-A234 PolarHBondContact O-N 2.91Å; I197-A234 WeakPolarHBondContact CA-O 3.14Å; I197-A234 HydrophobicContact CG1-CB 4.47Å; G198-A234 PolarHBondContact N-O 2.92Å; L207-A234 CarbonylContact O-C 3.59Å; L207-A234 WeakPolarHBondContact O-CA 3.43Å; L232-A234 HydrophobicContact CD2-CB 4.49Å
235	F	53.3	Low	50.3	Low	4 Å²	4	54.1 Å²	54.1	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.8	171.6	-65	-82.6	0	0	0	110.2	W28 V107 L111 L200 L203 R206 L207 L233	W28-F235 HydrophobicContact CH2-CE1 4.16Å; W28-F235 HydrophobicContact CH2-CZ 4.41Å; W28-F235 HydrophobicContact CZ2-CE1 4.18Å; W28-F235 HydrophobicContact CZ2-CZ 4.26Å; V107-F235 HydrophobicContact CG1-CE2 4.36Å; L111-F235 HydrophobicContact CD1-CE2 4.13Å; L111-F235 HydrophobicContact CD1-CZ 4.24Å; L111-F235 HydrophobicContact CD2-CE2 3.71Å; L111-F235 HydrophobicContact CD2-CZ 3.34Å; L111-F235 HydrophobicContact CG-CE2 3.98Å; L111-F235 HydrophobicContact CG-CZ 3.59Å; L200-F235 HydrophobicContact CD1-CD1 3.85Å; L200-F235 HydrophobicContact CD1-CE1 4.09Å; L203-F235 HydrophobicContact CD1-CB 3.91Å; R206-F235 CarbonylContact C-O 3.54Å; R206-F235 WeakPolarHBondContact CA-O 3.46Å; R206-F235 WeakPolarHBondContact CG-O 3.45Å; L207-F235 HydrophobicContact CB-CB 4.14Å; L207-F235 HydrophobicContact CD1-CB 4.46Å; L207-F235 PolarHBondContact N-O 3.28Å; L207-F235 PolarHBondContact O-N 3.18Å; L233-F235 HydrophobicContact CD2-CE2 4.37Å
236	S	53.6	Low	50	Low	48 Å²	48	57.7 Å²	57.7	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.9	172.4	-170.9	0	0	0	0	111	G198	G198-S236 PolarHBondContact O-N 2.86Å
237	S	42.4	Very low	50	Low	12 Å²	12	57 Å²	57	8%	0.084	28%	0.282	C	S	.	.			trans	-96.5	115.7	165.7	46.6	0	0	0	0	109.7	L203 E204 N205	L203-S237 WeakPolarHBondContact O-CB 3.09Å; E204-S237 PolarHBondContact O-OG 3.36Å; N205-S237 WeakPolarHBondContact CA-OG 3.44Å; N205-S237 PolarHBondContact N-OG 3.43Å; N205-S237 PolarHBondContact O-OG 3.41Å
238	F	37.3	Very low	50.1	Low	131 Å²	131	54.2 Å²	54.2	58%	0.575	27%	0.267	S	S	*	.	S	Bend	trans	38.8	104	159.6	-93.4	-87.6	0	0	0	119.3	Q201	Q201-F238 HydrophobicContact CB-CE2 3.86Å; Q201-F238 HydrophobicContact CG-CE2 3.76Å; Q201-F238 HydrophobicContact CG-CZ 4.42Å
239	C	34.6	Very low	50	Low	98 Å²	98	54.3 Å²	54.3	66%	0.662	27%	0.267	S	S	*	.				170.1	122.2	122.7	-137.7	0	0	0	0	111.2	V241	C239-V241 VanDerWaalsContact C-N 3.34Å; C239-V241 PolarHBondContact O-N 3.45Å
240	L	37.2	Very low	50	Low	176 Å²	176	53.8 Å²	53.8	92%	0.921	26%	0.264	S	S	*	.			trans	41.3	21.3	146.2	-80.7	164.4	0	0	0	122.9
241	V	41.2	Very low	50.2	Low	83 Å²	83	54 Å²	54	50%	0.503	26%	0.264	S	S	.	.			trans	-92.7	121.6	170.3	-166.6	0	0	0	0	109.8	C239 A245	C239-V241 VanDerWaalsContact C-N 3.34Å; C239-V241 PolarHBondContact O-N 3.45Å; V241-A245 HydrophobicContact CB-CB 4.45Å; V241-A245 HydrophobicContact CG1-CB 3.3Å
242	R	48.5	Very low	50.1	Low	197 Å²	197	53.8 Å²	53.8	74%	0.743	26%	0.263	S	S	*	.			trans	-45.7	150.5	-179.6	-66.9	177.8	-158.6	138.7	5.9	111.3	D244 A245	R242-D244 HydrophobicContact CB-CB 4.33Å; R242-D244 WeakPolarHBondContact CB-OD2 3.22Å; R242-D244 PolarHBondContact O-N 3.22Å; R242-A245 PolarHBondContact O-N 3.33Å; R242-A245 VanDerWaalsContact O-N 3.08Å
243	R	52.5	Low	49.9	Very low	143 Å²	143	53.4 Å²	53.4	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-38.2	-32.4	172.7	-81.1	178	171.7	157.4	-11.2	113.1	E43 A245 R246 Q247	E43-R243 IonicContact OE1-CZ 3.63Å; E43-R243 VanDerWaalsContact OE1-CZ 3.32Å; E43-R243 IonicContact OE1-NH1 3.32Å; E43-R243 PolarHBondContact OE1-NH1 3.24Å; E43-R243 IonicContact OE1-NH2 3.47Å; E43-R243 PolarHBondContact OE1-NH2 3.28Å; R243-A245 PolarHBondContact O-N 2.87Å; R243-R246 PolarHBondContact O-N 2.84Å; R243-Q247 PolarHBondContact O-N 3.38Å
244	D	53.6	Low	49.6	Very low	56 Å²	56	53.8 Å²	53.8	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-39.3	-178.8	-45.8	-27.4	0	0	0	115.5	R242 R246 S248	R242-D244 HydrophobicContact CB-CB 4.33Å; R242-D244 WeakPolarHBondContact CB-OD2 3.22Å; R242-D244 PolarHBondContact O-N 3.22Å; D244-R246 VanDerWaalsContact C-N 3.33Å; D244-S248 WeakPolarHBondContact O-CB 3.37Å; D244-S248 PolarHBondContact O-N 3.49Å; D244-S248 PolarHBondContact O-OG 2.78Å
245	A	48.2	Very low	49.4	Very low	8 Å²	8	54.1 Å²	54.1	7%	0.066	27%	0.266	C	S	.	.	H	α-helix	trans	-78.4	-18.6	-178.1	0	0	0	0	0	113.4	V241 R242 R243 S248	V241-A245 HydrophobicContact CB-CB 4.45Å; V241-A245 HydrophobicContact CG1-CB 3.3Å; R242-A245 PolarHBondContact O-N 3.33Å; R242-A245 VanDerWaalsContact O-N 3.08Å; R243-A245 PolarHBondContact O-N 2.87Å; A245-S248 VanDerWaalsContact CA-OG 3.24Å; A245-S248 WeakPolarHBondContact CA-OG 3.47Å; A245-S248 PolarHBondContact O-OG 2.96Å
246	R	53.2	Low	48.8	Very low	78 Å²	78	55.9 Å²	55.9	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-80.6	-49	176.2	-68.9	-175.5	-86.8	155	-0.9	110.2	E22 I197 R243 D244 S248 T249	E22-R246 IonicContact OE1-CZ 2.75Å; E22-R246 IonicContact OE1-NH1 2.68Å; E22-R246 PolarHBondContact OE1-NH1 2.81Å; I197-R246 HydrophobicContact CD1-CB 4.34Å; I197-R246 WeakPolarHBondContact CD1-O 3.12Å; I197-R246 HydrophobicContact CG2-CB 4.32Å; I197-R246 HydrophobicContact CG2-CG 4.19Å; R243-R246 PolarHBondContact O-N 2.84Å; D244-R246 VanDerWaalsContact C-N 3.33Å; R246-S248 PolarHBondContact O-N 3.41Å; R246-T249 PolarHBondContact O-OG1 3.03Å; R246-T249 VanDerWaalsContact O-OG1 3.05Å
247	Q	57.1	Low	48.4	Very low	50 Å²	50	55.6 Å²	55.6	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-33.5	178.7	-72.7	178	-4.5	0	0	113.1	F20 R243 T249 A250 K251	F20-Q247 HydrophobicContact CE1-CG 4.13Å; R243-Q247 PolarHBondContact O-N 3.38Å; Q247-T249 PolarHBondContact O-N 2.95Å; Q247-A250 WeakPolarHBondContact O-CB 3.45Å; Q247-A250 PolarHBondContact O-N 3.26Å; Q247-K251 HydrophobicContact CB-CD 4.37Å; Q247-K251 VanDerWaalsContact O-CG 3.27Å; Q247-K251 WeakPolarHBondContact O-CG 3.38Å; Q247-K251 PolarHBondContact O-N 3.4Å
248	S	56.2	Low	48.8	Very low	1 Å²	1	55 Å²	55	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-30.2	-174.8	46.1	0	0	0	0	116.6	L56 S60 D244 A245 R246 A250 K251 L252	L56-S248 WeakPolarHBondContact CD2-O 3.49Å; S60-S248 WeakPolarHBondContact CB-OG 3.17Å; S60-S248 WeakPolarHBondContact OG-CB 3.36Å; S60-S248 PolarHBondContact OG-OG 3.06Å; D244-S248 WeakPolarHBondContact O-CB 3.37Å; D244-S248 PolarHBondContact O-N 3.49Å; D244-S248 PolarHBondContact O-OG 2.78Å; A245-S248 VanDerWaalsContact CA-OG 3.24Å; A245-S248 WeakPolarHBondContact CA-OG 3.47Å; A245-S248 PolarHBondContact O-OG 2.96Å; R246-S248 PolarHBondContact O-N 3.41Å; S248-A250 VanDerWaalsContact C-N 3.29Å; S248-K251 PolarHBondContact O-N 2.81Å; S248-L252 WeakPolarHBondContact O-CB 3.18Å; S248-L252 PolarHBondContact O-N 3.47Å
249	T	52.5	Low	49.6	Very low	4 Å²	4	51.5 Å²	51.5	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-36.5	172.6	56.6	0	0	0	0	110.5	L64 I197 R246 Q247 V253	L64-T249 HydrophobicContact CB-CG2 4.33Å; L64-T249 HydrophobicContact CD1-CG2 3.98Å; I197-T249 WeakPolarHBondContact CD1-OG1 3.49Å; R246-T249 PolarHBondContact O-OG1 3.03Å; R246-T249 VanDerWaalsContact O-OG1 3.05Å; Q247-T249 PolarHBondContact O-N 2.95Å; T249-V253 WeakPolarHBondContact O-CG2 3.44Å
250	A	54.6	Low	50.8	Low	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-43.3	172	0	0	0	0	0	112.1	F20 W34 V195 Q247 S248 L252 V253 A254	F20-A250 HydrophobicContact CB-CB 4.02Å; F20-A250 HydrophobicContact CD2-CB 3.51Å; F20-A250 HydrophobicContact CE2-CB 4.18Å; F20-A250 HydrophobicContact CG-CB 3.87Å; W34-A250 HydrophobicContact CH2-CB 3.63Å; W34-A250 HydrophobicContact CZ3-CB 3.9Å; V195-A250 HydrophobicContact CB-CB 4.07Å; V195-A250 HydrophobicContact CG1-CB 4Å; V195-A250 HydrophobicContact CG2-CB 4.3Å; Q247-A250 WeakPolarHBondContact O-CB 3.45Å; Q247-A250 PolarHBondContact O-N 3.26Å; S248-A250 VanDerWaalsContact C-N 3.29Å; A250-L252 VanDerWaalsContact C-N 3.27Å; A250-L252 PolarHBondContact O-N 3.14Å; A250-V253 PolarHBondContact O-N 3.4Å; A250-A254 WeakPolarHBondContact O-CB 3.45Å; A250-A254 PolarHBondContact O-N 2.97Å
251	K	58.4	Low	52.3	Low	19 Å²	19	39.5 Å²	39.5	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-37.3	176.2	-72.2	169.2	171.1	-175.1	0	112.4	W34 E38 A54 T55 L56 Q247 S248 A254 D255	W34-K251 HydrophobicContact CH2-CG 4.46Å; W34-K251 HydrophobicContact CZ2-CB 4.28Å; W34-K251 HydrophobicContact CZ2-CG 3.59Å; E38-K251 WeakPolarHBondContact OE1-CE 3.23Å; E38-K251 WeakPolarHBondContact OE2-CE 3.3Å; A54-K251 HydrophobicContact CB-CG 4.41Å; T55-K251 VanDerWaalsContact O-CD 3.32Å; T55-K251 WeakPolarHBondContact O-CD 3.3Å; T55-K251 PolarHBondContact O-NZ 2.84Å; L56-K251 HydrophobicContact CD2-CB 3.36Å; L56-K251 HydrophobicContact CD2-CD 4.38Å; L56-K251 HydrophobicContact CD2-CG 4.49Å; L56-K251 HydrophobicContact CG-CB 4Å; Q247-K251 HydrophobicContact CB-CD 4.37Å; Q247-K251 VanDerWaalsContact O-CG 3.27Å; Q247-K251 WeakPolarHBondContact O-CG 3.38Å; Q247-K251 PolarHBondContact O-N 3.4Å; S248-K251 PolarHBondContact O-N 2.81Å; K251-A254 PolarHBondContact O-N 2.86Å; K251-A254 VanDerWaalsContact O-N 3.15Å; K251-D255 PolarHBondContact O-N 3.24Å
252	L	53.9	Low	53.5	Low	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71.3	-34.2	-176.6	-172.1	142.4	0	0	0	113	L56 L61 L64 S248 A250 A254 A258 F261 L278 F281	L56-L252 HydrophobicContact CD2-CB 4.14Å; L61-L252 HydrophobicContact CD2-CD1 3.02Å; L61-L252 HydrophobicContact CD2-CG 4.39Å; L61-L252 HydrophobicContact CG-CD1 3.84Å; L64-L252 HydrophobicContact CD2-CB 4.02Å; L64-L252 HydrophobicContact CD2-CD1 3.59Å; L64-L252 HydrophobicContact CD2-CD2 3.22Å; L64-L252 HydrophobicContact CD2-CG 3.77Å; S248-L252 WeakPolarHBondContact O-CB 3.18Å; S248-L252 PolarHBondContact O-N 3.47Å; A250-L252 VanDerWaalsContact C-N 3.27Å; A250-L252 PolarHBondContact O-N 3.14Å; L252-A254 PolarHBondContact O-N 3.27Å; L252-A258 WeakPolarHBondContact O-CB 2.91Å; L252-F261 HydrophobicContact CD2-CD1 4.1Å; L252-F261 HydrophobicContact CD2-CE1 4.39Å; L252-F261 HydrophobicContact CD2-CG 4.21Å; L252-L278 HydrophobicContact CD1-CD1 3.64Å; L252-L278 HydrophobicContact CD2-CD1 3.97Å; L252-L278 HydrophobicContact CG-CD1 4.41Å; L252-F281 HydrophobicContact CD1-CD1 4.12Å; L252-F281 HydrophobicContact CD1-CE1 3.84Å; L252-F281 HydrophobicContact CG-CD1 4.37Å; L252-F281 HydrophobicContact CG-CE1 3.97Å
253	V	51.1	Low	54.5	Low	2 Å²	2	31.5 Å²	31.5	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-72.3	-23.7	175	-171.7	0	0	0	0	109.6	Q18 L230 L232 T249 A250 C262	Q18-V253 VanDerWaalsContact CD-O 3.27Å; Q18-V253 PolarHBondContact NE2-O 2.85Å; Q18-V253 VanDerWaalsContact OE1-CB 3.24Å; Q18-V253 PolarHBondContact OE1-O 3.43Å; Q18-V253 VanDerWaalsContact OE1-O 3.13Å; L230-V253 HydrophobicContact CD2-CG1 4.1Å; L232-V253 HydrophobicContact CD1-CG2 4.23Å; T249-V253 WeakPolarHBondContact O-CG2 3.44Å; A250-V253 PolarHBondContact O-N 3.4Å; V253-C262 PolarHBondContact O-SG 2.97Å; V253-C262 VanDerWaalsContact O-SG 3.34Å
254	A	48.6	Very low	55.6	Low	12 Å²	12	26.3 Å²	26.3	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-109.2	-15.2	-158.9	0	0	0	0	0	117.1	Q18 W34 A250 K251 L252	Q18-A254 HydrophobicContact CB-CB 3.97Å; Q18-A254 VanDerWaalsContact CD-CA 3.42Å; Q18-A254 HydrophobicContact CG-CB 4.16Å; Q18-A254 VanDerWaalsContact OE1-N 3.14Å; W34-A254 HydrophobicContact CB-CB 3.58Å; W34-A254 HydrophobicContact CD2-CB 3.19Å; W34-A254 HydrophobicContact CE3-CB 3.56Å; W34-A254 HydrophobicContact CG-CB 3.18Å; W34-A254 HydrophobicContact CZ3-CB 4.38Å; A250-A254 WeakPolarHBondContact O-CB 3.45Å; A250-A254 PolarHBondContact O-N 2.97Å; K251-A254 PolarHBondContact O-N 2.86Å; K251-A254 VanDerWaalsContact O-N 3.15Å; L252-A254 PolarHBondContact O-N 3.27Å
255	D	49.3	Very low	56.7	Low	15 Å²	15	23.9 Å²	23.9	8%	0.08	12%	0.122	C	C	.	.	S	Bend	trans	-78.5	155.1	-173.3	-145.7	-2.7	0	0	0	112.8	A54 K251 V257 A258	A54-D255 HydrophobicContact CB-CB 4.48Å; K251-D255 PolarHBondContact O-N 3.24Å; D255-V257 PolarHBondContact O-N 3.37Å; D255-A258 WeakPolarHBondContact O-CA 3.42Å; D255-A258 WeakPolarHBondContact O-CB 3.1Å; D255-A258 PolarHBondContact O-N 3.49Å
256	N	40.2	Very low	57.9	Low	41 Å²	41	28.2 Å²	28.2	22%	0.219	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-60.8	-23.2	-178.6	-73.5	-43.1	0	0	0	113.5	K36 A258	K36-N256 WeakPolarHBondContact CG-OD1 3.46Å; K36-N256 PolarHBondContact O-ND2 2.96Å; K36-N256 PolarHBondContact O-OD1 2.94Å; N256-A258 VanDerWaalsContact C-N 3.33Å
257	V	45.5	Very low	59.2	Low	41 Å²	41	31.7 Å²	31.7	25%	0.248	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-78.5	-23.7	175.5	-170.6	0	0	0	0	110.5	D255 Q259 F281 V285	D255-V257 PolarHBondContact O-N 3.37Å; V257-Q259 PolarHBondContact O-N 3.15Å; V257-F281 HydrophobicContact CB-CE2 3.75Å; V257-F281 HydrophobicContact CG1-CD2 4.08Å; V257-F281 HydrophobicContact CG1-CE2 3.57Å; V257-F281 HydrophobicContact CG1-CZ 4.47Å; V257-V285 HydrophobicContact CG1-CG2 4.34Å
258	A	51.8	Low	60.4	Low	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-74.8	5	174.9	0	0	0	0	0	113.4	L252 D255 N256 I260 F261 C262 F281	L252-A258 WeakPolarHBondContact O-CB 2.91Å; D255-A258 WeakPolarHBondContact O-CA 3.42Å; D255-A258 WeakPolarHBondContact O-CB 3.1Å; D255-A258 PolarHBondContact O-N 3.49Å; N256-A258 VanDerWaalsContact C-N 3.33Å; A258-I260 PolarHBondContact O-N 3.26Å; A258-F261 PolarHBondContact O-N 3.47Å; A258-C262 WeakPolarHBondContact O-CB 3.43Å; A258-C262 PolarHBondContact O-N 3.3Å; A258-C262 PolarHBondContact O-SG 3.07Å; A258-C262 VanDerWaalsContact O-SG 3.33Å; A258-F281 HydrophobicContact CB-CE2 4.31Å
259	Q	53.9	Low	61.8	Low	57 Å²	57	39.2 Å²	39.2	27%	0.266	18%	0.183	S	C	.	.	H	α-helix	trans	-53	-40.6	168	-175.8	177.7	-2.4	0	0	110.2	V257 C262 E263	V257-Q259 PolarHBondContact O-N 3.15Å; Q259-C262 PolarHBondContact O-N 3.08Å; Q259-E263 HydrophobicContact CG-CG 4.34Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.24Å; Q259-E263 PolarHBondContact NE2-OE1 3.25Å; Q259-E263 WeakPolarHBondContact O-CB 2.9Å; Q259-E263 VanDerWaalsContact O-CG 3.28Å; Q259-E263 WeakPolarHBondContact O-CG 2.8Å; Q259-E263 PolarHBondContact O-N 2.88Å
260	I	60	Low	63.4	Low	21 Å²	21	43.4 Å²	43.4	11%	0.108	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-52.6	178.4	-60.9	155.6	0	0	0	110	A258 C262 E263 V264 E280 Q284	A258-I260 PolarHBondContact O-N 3.26Å; I260-C262 VanDerWaalsContact C-N 3.35Å; I260-C262 PolarHBondContact O-N 2.89Å; I260-E263 PolarHBondContact O-N 3.26Å; I260-V264 VanDerWaalsContact O-CG2 3.28Å; I260-V264 WeakPolarHBondContact O-CG2 2.99Å; I260-V264 PolarHBondContact O-N 3.44Å; I260-E280 HydrophobicContact CG2-CG 3.97Å; I260-Q284 VanDerWaalsContact CD1-CD 3.5Å
261	F	67.8	Low	64.9	Low	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-40.7	178.4	-179.1	-96.9	0	0	0	112.3	F68 L252 A258 V264 A265 L274 L278	F68-F261 AromaticContact CE2-CE2 3.95Å; F68-F261 HydrophobicContact CE2-CE2 3.95Å; F68-F261 AromaticContact CE2-CZ 3.57Å; F68-F261 HydrophobicContact CE2-CZ 3.57Å; F68-F261 HydrophobicContact CZ-CE1 4.3Å; F68-F261 HydrophobicContact CZ-CE2 4.33Å; F68-F261 AromaticContact CZ-CZ 3.51Å; F68-F261 HydrophobicContact CZ-CZ 3.51Å; L252-F261 HydrophobicContact CD2-CD1 4.1Å; L252-F261 HydrophobicContact CD2-CE1 4.39Å; L252-F261 HydrophobicContact CD2-CG 4.21Å; A258-F261 PolarHBondContact O-N 3.47Å; F261-V264 PolarHBondContact O-N 3.11Å; F261-A265 HydrophobicContact CE1-CB 4.2Å; F261-A265 HydrophobicContact CZ-CB 4.47Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 2.96Å; F261-L274 WeakPolarHBondContact CE2-O 3.33Å; F261-L274 HydrophobicContact CZ-CD2 4.31Å; F261-L278 HydrophobicContact CD2-CB 4.36Å; F261-L278 HydrophobicContact CE2-CB 4.24Å
262	C	67.4	Low	66.3	Low	16 Å²	16	55.1 Å²	55.1	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-48.1	176.7	-72.3	0	0	0	0	111.2	V253 A258 Q259 I260 V264 A265 Y266	V253-C262 PolarHBondContact O-SG 2.97Å; V253-C262 VanDerWaalsContact O-SG 3.34Å; A258-C262 WeakPolarHBondContact O-CB 3.43Å; A258-C262 PolarHBondContact O-N 3.3Å; A258-C262 PolarHBondContact O-SG 3.07Å; A258-C262 VanDerWaalsContact O-SG 3.33Å; Q259-C262 PolarHBondContact O-N 3.08Å; I260-C262 VanDerWaalsContact C-N 3.35Å; I260-C262 PolarHBondContact O-N 2.89Å; C262-V264 VanDerWaalsContact C-N 3.31Å; C262-V264 PolarHBondContact O-N 3.15Å; C262-A265 PolarHBondContact O-N 3.3Å; C262-A265 VanDerWaalsContact O-N 3.12Å; C262-Y266 WeakPolarHBondContact O-CD2 3.47Å; C262-Y266 PolarHBondContact O-N 3.47Å
263	E	69.5	Low	67.9	Low	97 Å²	97	57.4 Å²	57.4	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-44.8	176.9	-77	176.8	-168.2	0	0	111.3	Q259 I260 Y266 Q267	Q259-E263 HydrophobicContact CG-CG 4.34Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.24Å; Q259-E263 PolarHBondContact NE2-OE1 3.25Å; Q259-E263 WeakPolarHBondContact O-CB 2.9Å; Q259-E263 VanDerWaalsContact O-CG 3.28Å; Q259-E263 WeakPolarHBondContact O-CG 2.8Å; Q259-E263 PolarHBondContact O-N 2.88Å; I260-E263 PolarHBondContact O-N 3.26Å; E263-Y266 PolarHBondContact O-N 3.38Å; E263-Q267 WeakPolarHBondContact O-CG 3.24Å; E263-Q267 PolarHBondContact O-N 3.39Å
264	V	75.8	Confident	69.4	Low	33 Å²	33	57.3 Å²	57.3	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-42.6	174.1	177.8	0	0	0	0	110.9	I260 F261 C262 Y266 Q267 A268 D273	I260-V264 VanDerWaalsContact O-CG2 3.28Å; I260-V264 WeakPolarHBondContact O-CG2 2.99Å; I260-V264 PolarHBondContact O-N 3.44Å; F261-V264 PolarHBondContact O-N 3.11Å; C262-V264 VanDerWaalsContact C-N 3.31Å; C262-V264 PolarHBondContact O-N 3.15Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.77Å; V264-Q267 CarbonylContact O-C 3.59Å; V264-Q267 PolarHBondContact O-N 3.33Å; V264-A268 WeakPolarHBondContact O-CA 2.97Å; V264-A268 WeakPolarHBondContact O-CB 3.39Å; V264-A268 PolarHBondContact O-N 3.12Å; V264-D273 WeakPolarHBondContact CG1-O 3.47Å
265	A	75.3	Confident	71.2	Confident	5 Å²	5	57.6 Å²	57.6	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-31.8	179.8	0	0	0	0	0	113.5	R212 F261 C262 L274	R212-A265 PolarHBondContact NH1-O 3.33Å; F261-A265 HydrophobicContact CE1-CB 4.2Å; F261-A265 HydrophobicContact CZ-CB 4.47Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 2.96Å; C262-A265 PolarHBondContact O-N 3.3Å; C262-A265 VanDerWaalsContact O-N 3.12Å; A265-L274 HydrophobicContact CB-CD2 3.75Å
266	Y	74.4	Confident	72.9	Confident	99 Å²	99	61.6 Å²	61.6	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-70	-32.9	170.7	-81.3	-72.7	0	0	0	112.1	E191 R212 C229 C262 E263 V264	E191-Y266 WeakPolarHBondContact OE2-CE1 2.79Å; E191-Y266 PolarHBondContact OE2-OH 3.21Å; R212-Y266 PolarHBondContact NH1-O 3.32Å; C229-Y266 VanDerWaalsContact SG-CE1 3.54Å; C262-Y266 WeakPolarHBondContact O-CD2 3.47Å; C262-Y266 PolarHBondContact O-N 3.47Å; E263-Y266 PolarHBondContact O-N 3.38Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.77Å
267	Q	80.7	Confident	74.8	Confident	152 Å²	152	59.7 Å²	59.7	71%	0.71	28%	0.277	S	S	*	.	H	α-helix	trans	-91.4	-15.1	-178.9	-65.9	179.3	23.9	0	0	114.1	E263 V264 R269	E263-Q267 WeakPolarHBondContact O-CG 3.24Å; E263-Q267 PolarHBondContact O-N 3.39Å; V264-Q267 CarbonylContact O-C 3.59Å; V264-Q267 PolarHBondContact O-N 3.33Å; Q267-R269 PolarHBondContact O-N 2.52Å
268	A	81.9	Confident	76.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	27%	0.265	C	S	.	.			trans	-58.5	131.1	-174.4	0	0	0	0	0	111.9	R212 V264 D273 L274	R212-A268 PolarHBondContact NH1-O 3.21Å; R212-A268 PolarHBondContact NH2-O 3.26Å; V264-A268 WeakPolarHBondContact O-CA 2.97Å; V264-A268 WeakPolarHBondContact O-CB 3.39Å; V264-A268 PolarHBondContact O-N 3.12Å; A268-D273 HydrophobicContact CB-CB 3.8Å; A268-L274 HydrophobicContact CB-CD2 3.78Å; A268-L274 HydrophobicContact CB-CG 3.98Å
269	R	85.1	Confident	78	Confident	208 Å²	208	60.6 Å²	60.6	79%	0.785	28%	0.28	S	S	*	.	S	Bend	trans	-103	-29.7	172.3	-62.1	-179.1	-178.4	-175	0.5	111.1	L75 Q267 D273	L75-R269 VanDerWaalsContact CD1-C 3.48Å; L75-R269 VanDerWaalsContact CD1-O 3.26Å; L75-R269 WeakPolarHBondContact CD1-O 3.44Å; Q267-R269 PolarHBondContact O-N 2.52Å; R269-D273 PolarHBondContact N-OD2 3.07Å
270	N	85.6	Confident	79.3	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	29%	0.286	S	S	.	.	S	Bend	trans	-124.4	167.1	-176	-64.4	-29.6	0	0	0	111.3	E272 D273	N270-E272 PolarHBondContact O-N 3.26Å; N270-D273 PolarHBondContact N-OD2 3.15Å; N270-D273 VanDerWaalsContact N-OD2 3.1Å
271	R	86.8	Confident	80	Confident	144 Å²	144	60.9 Å²	60.9	54%	0.543	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-26.4	171.9	69.4	172.6	65.3	111.1	-4.6	112.8	V73 L274 L275	V73-R271 HydrophobicContact CG2-CB 4.46Å; R271-L274 PolarHBondContact O-N 3.5Å; R271-L275 WeakPolarHBondContact O-CG 3.27Å; R271-L275 PolarHBondContact O-N 2.75Å
272	E	88.2	Confident	80.5	Confident	121 Å²	121	62.8 Å²	62.8	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-68.4	-44.2	-179	-70.3	167.4	-169.5	0	0	110.2	N270 L274 L275 D276	N270-E272 PolarHBondContact O-N 3.26Å; E272-L274 PolarHBondContact O-N 3.15Å; E272-L274 VanDerWaalsContact O-N 3.15Å; E272-L275 CarbonylContact O-C 3.53Å; E272-L275 WeakPolarHBondContact O-CA 2.81Å; E272-L275 WeakPolarHBondContact O-CB 3.43Å; E272-L275 PolarHBondContact O-N 3.06Å; E272-D276 PolarHBondContact O-N 2.82Å
273	D	86.7	Confident	81	Confident	47 Å²	47	70.1 Å²	70.1	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-56.3	-35.5	174.8	-47.8	-12.9	0	0	0	112.6	V264 A268 R269 N270 G277	V264-D273 WeakPolarHBondContact CG1-O 3.47Å; A268-D273 HydrophobicContact CB-CB 3.8Å; R269-D273 PolarHBondContact N-OD2 3.07Å; N270-D273 PolarHBondContact N-OD2 3.15Å; N270-D273 VanDerWaalsContact N-OD2 3.1Å; D273-G277 PolarHBondContact O-N 3.41Å
274	L	82.4	Confident	80.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.2	-34.3	174.4	-66.3	175.8	0	0	0	112.4	F68 V73 L75 F210 F261 A265 A268 R271 E272 L278	F68-L274 HydrophobicContact CD1-CD1 4.32Å; F68-L274 HydrophobicContact CE1-CD1 4.34Å; V73-L274 HydrophobicContact CG1-CD1 3.8Å; L75-L274 HydrophobicContact CD2-CD1 4.37Å; F210-L274 HydrophobicContact CD1-CD1 3.96Å; F210-L274 HydrophobicContact CE1-CD1 3.76Å; F210-L274 HydrophobicContact CE1-CD2 4.32Å; F210-L274 HydrophobicContact CZ-CD1 4.29Å; F210-L274 HydrophobicContact CZ-CD2 4.25Å; F261-L274 WeakPolarHBondContact CE2-O 3.33Å; F261-L274 HydrophobicContact CZ-CD2 4.31Å; A265-L274 HydrophobicContact CB-CD2 3.75Å; A268-L274 HydrophobicContact CB-CD2 3.78Å; A268-L274 HydrophobicContact CB-CG 3.98Å; R271-L274 PolarHBondContact O-N 3.5Å; E272-L274 PolarHBondContact O-N 3.15Å; E272-L274 VanDerWaalsContact O-N 3.15Å; L274-L278 WeakPolarHBondContact O-CB 3.17Å; L274-L278 PolarHBondContact O-N 3.03Å; L274-L278 VanDerWaalsContact O-N 3.14Å
275	L	86.3	Confident	80.6	Confident	18 Å²	18	69.5 Å²	69.5	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-73.1	-42.1	176.3	-68.2	166.4	0	0	0	110.7	R65 F68 L69 R271 E272 G277 L278 D279	R65-L275 HydrophobicContact CG-CD2 4.07Å; F68-L275 HydrophobicContact CB-CD2 3.68Å; F68-L275 HydrophobicContact CB-CG 4.32Å; L69-L275 HydrophobicContact CD2-CD1 3.47Å; L69-L275 VanDerWaalsContact CD2-CD1 3.47Å; L69-L275 HydrophobicContact CD2-CD2 4.17Å; L69-L275 HydrophobicContact CD2-CG 4.49Å; L69-L275 HydrophobicContact CG-CD1 4.08Å; L69-L275 HydrophobicContact CG-CD2 3.85Å; R271-L275 WeakPolarHBondContact O-CG 3.27Å; R271-L275 PolarHBondContact O-N 2.75Å; E272-L275 CarbonylContact O-C 3.53Å; E272-L275 WeakPolarHBondContact O-CA 2.81Å; E272-L275 WeakPolarHBondContact O-CB 3.43Å; E272-L275 PolarHBondContact O-N 3.06Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 3.08Å; L275-L278 WeakPolarHBondContact O-CB 3.45Å; L275-L278 PolarHBondContact O-N 3.25Å; L275-L278 VanDerWaalsContact O-N 3.11Å; L275-D279 PolarHBondContact O-N 2.81Å
276	D	85.8	Confident	80.3	Confident	99 Å²	99	75.5 Å²	75.5	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.6	-65.7	-15.9	0	0	0	110.7	E272 L278 D279 E280	E272-D276 PolarHBondContact O-N 2.82Å; D276-L278 VanDerWaalsContact C-N 3.28Å; D276-L278 PolarHBondContact O-N 3.32Å; D276-D279 PolarHBondContact O-N 3.32Å; D276-E280 WeakPolarHBondContact O-CB 3.49Å; D276-E280 PolarHBondContact O-N 3.27Å
277	G	80.6	Confident	80	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-30.2	174	0	0	0	0	0	113.8	D273 L275 F281	D273-G277 PolarHBondContact O-N 3.41Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 3.08Å; G277-F281 WeakPolarHBondContact O-CB 3.47Å; G277-F281 PolarHBondContact O-N 2.65Å; G277-F281 VanDerWaalsContact O-N 3.12Å
278	L	79.2	Confident	79.4	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-74.2	-38.2	173.7	-177.8	64.9	0	0	0	111.5	L61 L64 R65 F68 L252 F261 L274 L275 D276 F281 L282	L61-L278 HydrophobicContact CD2-CD1 3.97Å; L64-L278 HydrophobicContact CD2-CD1 4.16Å; R65-L278 HydrophobicContact CB-CD2 3.53Å; R65-L278 HydrophobicContact CG-CD2 4.02Å; F68-L278 HydrophobicContact CD2-CD2 4.23Å; L252-L278 HydrophobicContact CD1-CD1 3.64Å; L252-L278 HydrophobicContact CD2-CD1 3.97Å; L252-L278 HydrophobicContact CG-CD1 4.41Å; F261-L278 HydrophobicContact CD2-CB 4.36Å; F261-L278 HydrophobicContact CE2-CB 4.24Å; L274-L278 WeakPolarHBondContact O-CB 3.17Å; L274-L278 PolarHBondContact O-N 3.03Å; L274-L278 VanDerWaalsContact O-N 3.14Å; L275-L278 WeakPolarHBondContact O-CB 3.45Å; L275-L278 PolarHBondContact O-N 3.25Å; L275-L278 VanDerWaalsContact O-N 3.11Å; D276-L278 VanDerWaalsContact C-N 3.28Å; D276-L278 PolarHBondContact O-N 3.32Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.46Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.11Å
279	D	84	Confident	78.7	Confident	61 Å²	61	74.2 Å²	74.2	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-69.5	-40.5	177	-71.1	-17.9	0	0	0	110.5	R65 L275 D276 F281 L282 E283	R65-D279 IonicContact NE-OD1 2.79Å; L275-D279 PolarHBondContact O-N 2.81Å; D276-D279 PolarHBondContact O-N 3.32Å; D279-F281 VanDerWaalsContact C-N 3.32Å; D279-F281 PolarHBondContact O-N 2.95Å; D279-L282 WeakPolarHBondContact O-CB 3.48Å; D279-L282 PolarHBondContact O-N 3.45Å; D279-L282 VanDerWaalsContact O-N 3.13Å; D279-E283 PolarHBondContact O-N 3.16Å
280	E	81.1	Confident	77.7	Confident	83 Å²	83	70.3 Å²	70.3	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-40.5	171.1	-174.7	-179.2	174.6	0	0	111.7	I260 D276 E283 Q284	I260-E280 HydrophobicContact CG2-CG 3.97Å; D276-E280 WeakPolarHBondContact O-CB 3.49Å; D276-E280 PolarHBondContact O-N 3.27Å; E280-E283 PolarHBondContact O-N 2.95Å; E280-Q284 PolarHBondContact O-N 2.86Å
281	F	75.9	Confident	76.6	Confident	1 Å²	1	69.6 Å²	69.6	0%	0.004	38%	0.383	C	S	.	.	H	α-helix	trans	-62.2	-44.9	173.4	177.7	-105.1	0	0	0	111.4	L56 L61 L252 V257 A258 G277 L278 D279 E283 Q284 V285	L56-F281 HydrophobicContact CD1-CE1 4.06Å; L56-F281 HydrophobicContact CD1-CZ 3.81Å; L61-F281 HydrophobicContact CD2-CD1 3.85Å; L61-F281 HydrophobicContact CD2-CE1 3.82Å; L252-F281 HydrophobicContact CD1-CD1 4.12Å; L252-F281 HydrophobicContact CD1-CE1 3.84Å; L252-F281 HydrophobicContact CG-CD1 4.37Å; L252-F281 HydrophobicContact CG-CE1 3.97Å; V257-F281 HydrophobicContact CB-CE2 3.75Å; V257-F281 HydrophobicContact CG1-CD2 4.08Å; V257-F281 HydrophobicContact CG1-CE2 3.57Å; V257-F281 HydrophobicContact CG1-CZ 4.47Å; A258-F281 HydrophobicContact CB-CE2 4.31Å; G277-F281 WeakPolarHBondContact O-CB 3.47Å; G277-F281 PolarHBondContact O-N 2.65Å; G277-F281 VanDerWaalsContact O-N 3.12Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.46Å; D279-F281 VanDerWaalsContact C-N 3.32Å; D279-F281 PolarHBondContact O-N 2.95Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.26Å; F281-Q284 PolarHBondContact O-N 2.73Å; F281-Q284 VanDerWaalsContact O-N 3.14Å; F281-V285 HydrophobicContact CD1-CG2 3.72Å; F281-V285 HydrophobicContact CD2-CG2 3.97Å; F281-V285 HydrophobicContact CE1-CG2 3.38Å; F281-V285 HydrophobicContact CE2-CG2 3.65Å; F281-V285 HydrophobicContact CG-CG2 4.02Å; F281-V285 HydrophobicContact CZ-CG2 3.34Å; F281-V285 WeakPolarHBondContact O-CG2 3.31Å; F281-V285 PolarHBondContact O-N 2.88Å
282	L	77.5	Confident	75.6	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-34.6	178.2	-80.5	170.4	0	0	0	113.3	L58 L61 L278 D279 Q284	L58-L282 HydrophobicContact CD1-CD2 4.1Å; L61-L282 HydrophobicContact CB-CD2 3.95Å; L61-L282 HydrophobicContact CD1-CD2 3.67Å; L61-L282 HydrophobicContact CD2-CD2 3.62Å; L61-L282 HydrophobicContact CD2-CG 4.07Å; L61-L282 HydrophobicContact CG-CD2 3.98Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.11Å; D279-L282 WeakPolarHBondContact O-CB 3.48Å; D279-L282 PolarHBondContact O-N 3.45Å; D279-L282 VanDerWaalsContact O-N 3.13Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 2.92Å
283	E	77.4	Confident	74.5	Confident	170 Å²	170	68.3 Å²	68.3	79%	0.794	38%	0.38	S	S	*	.	H	α-helix	trans	-66.9	-30	176.1	-72.8	-176.5	176.2	0	0	113.1	D279 E280 F281	D279-E283 PolarHBondContact O-N 3.16Å; E280-E283 PolarHBondContact O-N 2.95Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.26Å
284	Q	68.1	Low	73.4	Confident	87 Å²	87	69.9 Å²	69.9	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-97.6	-13.3	-176.3	-60.8	-172.7	34	0	0	113.7	I260 E280 F281 L282	I260-Q284 VanDerWaalsContact CD1-CD 3.5Å; E280-Q284 PolarHBondContact O-N 2.86Å; F281-Q284 PolarHBondContact O-N 2.73Å; F281-Q284 VanDerWaalsContact O-N 3.14Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 2.92Å
285	V	69.4	Low	72.4	Confident	31 Å²	31	74.1 Å²	74.1	19%	0.188	42%	0.416	C	S	.	.			trans	-76.4	127.4	-178.4	165.4	0	0	0	0	111.5	V257 F281 V287	V257-V285 HydrophobicContact CG1-CG2 4.34Å; F281-V285 HydrophobicContact CD1-CG2 3.72Å; F281-V285 HydrophobicContact CD2-CG2 3.97Å; F281-V285 HydrophobicContact CE1-CG2 3.38Å; F281-V285 HydrophobicContact CE2-CG2 3.65Å; F281-V285 HydrophobicContact CG-CG2 4.02Å; F281-V285 HydrophobicContact CZ-CG2 3.34Å; F281-V285 WeakPolarHBondContact O-CG2 3.31Å; F281-V285 PolarHBondContact O-N 2.88Å; V285-V287 HydrophobicContact CG1-CG2 4.26Å
286	T	69.7	Low	71.4	Confident	131 Å²	131	77.2 Å²	77.2	80%	0.804	44%	0.439	S	S	*	.			trans	-82.1	114.5	166.8	54	0	0	0	0	109.9
287	V	67.5	Low	70.7	Confident	80 Å²	80	76.5 Å²	76.5	49%	0.485	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-85.7	125.3	178.9	-177.3	0	0	0	0	110.2	L58 V285	L58-V287 HydrophobicContact CB-CG1 4.5Å; L58-V287 HydrophobicContact CD1-CG2 4.35Å; V285-V287 HydrophobicContact CG1-CG2 4.26Å
288	L	68.3	Low	70.2	Confident	75 Å²	75	81.6 Å²	81.6	39%	0.393	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-77.6	132	170.1	-66	169.9	0	0	0	109.5	T55 W293 I299	T55-L288 HydrophobicContact CG2-CD1 4.14Å; L288-W293 HydrophobicContact CD1-CD2 4.27Å; L288-W293 HydrophobicContact CD1-CG 4.4Å; L288-I299 HydrophobicContact CD1-CD1 4.01Å
289	P	66.7	Low	70	Confident	69 Å²	69	84 Å²	84	45%	0.448	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-64.8	126	179.3	25	-32	0	0	0	110.4	G291 E292	P289-G291 PolarHBondContact O-N 3.03Å; P289-G291 VanDerWaalsContact O-N 3.15Å; P289-E292 PolarHBondContact O-N 3.37Å
290	P	64	Low	69.4	Low	126 Å²	126	88.8 Å²	88.8	82%	0.818	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.4	-174.5	27.9	-35.8	0	0	0	113.9
291	G	63.7	Low	68.8	Low	77 Å²	77	86.2 Å²	86.2	79%	0.794	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.6	-177.1	0	0	0	0	0	115.4	P289	P289-G291 PolarHBondContact O-N 3.03Å; P289-G291 VanDerWaalsContact O-N 3.15Å
292	E	64.9	Low	68.3	Low	149 Å²	149	89.1 Å²	89.1	70%	0.696	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-16.7	-178.2	-68.5	-176.5	169.7	0	0	113	P289	P289-E292 PolarHBondContact O-N 3.37Å
293	W	65.1	Low	67.3	Low	89 Å²	89	92.3 Å²	92.3	34%	0.337	52%	0.519	S	S	.	.			trans	-107.9	121.9	-172.9	-163.2	-85	0	0	0	111.6	L288 P295 I297 I299	L288-W293 HydrophobicContact CD1-CD2 4.27Å; L288-W293 HydrophobicContact CD1-CG 4.4Å; W293-P295 WeakPolarHBondContact O-CD 3.37Å; W293-I297 HydrophobicContact CH2-CG2 4.45Å; W293-I297 HydrophobicContact CZ2-CB 4.25Å; W293-I297 HydrophobicContact CZ2-CG2 3.78Å; W293-I299 HydrophobicContact CH2-CD1 4.04Å; W293-I299 HydrophobicContact CH2-CG1 3.91Å; W293-I299 HydrophobicContact CZ2-CD1 3.51Å; W293-I299 HydrophobicContact CZ2-CG1 3.33Å
294	D	64.4	Low	66.1	Low	81 Å²	81	87.9 Å²	87.9	43%	0.433	51%	0.507	S	S	.	.			trans	-76.7	120.2	170.8	178.5	-9.6	0	0	0	109.6	S296 I297	D294-S296 PolarHBondContact O-N 3.03Å; D294-S296 WeakPolarHBondContact OD1-CB 3.13Å; D294-S296 PolarHBondContact OD1-N 3.29Å; D294-S296 PolarHBondContact OD1-OG 3.15Å; D294-S296 PolarHBondContact OD2-OG 3.19Å; D294-I297 HydrophobicContact CB-CD1 3.72Å; D294-I297 HydrophobicContact CB-CG1 3.87Å; D294-I297 WeakPolarHBondContact O-CB 3.31Å; D294-I297 PolarHBondContact O-N 2.75Å
295	P	61.4	Low	65.4	Low	88 Å²	88	87.2 Å²	87.2	57%	0.571	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	180	-22.6	32.9	0	0	0	114.5	W293	W293-P295 WeakPolarHBondContact O-CD 3.37Å
296	S	65	Low	64.4	Low	84 Å²	84	90.5 Å²	90.5	59%	0.587	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.7	177.2	74	0	0	0	0	113.7	D294 R298	D294-S296 PolarHBondContact O-N 3.03Å; D294-S296 WeakPolarHBondContact OD1-CB 3.13Å; D294-S296 PolarHBondContact OD1-N 3.29Å; D294-S296 PolarHBondContact OD1-OG 3.15Å; D294-S296 PolarHBondContact OD2-OG 3.19Å; S296-R298 PolarHBondContact O-N 3.49Å
297	I	70.1	Confident	63.2	Low	84 Å²	84	87.5 Å²	87.5	43%	0.431	52%	0.515	S	S	.	.			trans	-71.3	116.8	177.6	-65.4	171.7	0	0	0	109.6	W293 D294 I299	W293-I297 HydrophobicContact CH2-CG2 4.45Å; W293-I297 HydrophobicContact CZ2-CB 4.25Å; W293-I297 HydrophobicContact CZ2-CG2 3.78Å; D294-I297 HydrophobicContact CB-CD1 3.72Å; D294-I297 HydrophobicContact CB-CG1 3.87Å; D294-I297 WeakPolarHBondContact O-CB 3.31Å; D294-I297 PolarHBondContact O-N 2.75Å; I297-I299 PolarHBondContact O-N 3.45Å
298	R	71.4	Confident	62.2	Low	108 Å²	108	87.1 Å²	87.1	41%	0.408	51%	0.507	S	S	.	.			trans	-81.9	111.4	177.3	-64.4	179.1	-173	172.3	-2.3	110	E42 H52 S296 E300	E42-R298 IonicContact OE1-CZ 2.89Å; E42-R298 IonicContact OE1-NH1 2.65Å; E42-R298 PolarHBondContact OE1-NH1 2.74Å; E42-R298 IonicContact OE1-NH2 3.14Å; E42-R298 PolarHBondContact OE1-NH2 3.47Å; H52-R298 HydrophobicContact CB-CB 3.83Å; H52-R298 HydrophobicContact CB-CG 4.34Å; S296-R298 PolarHBondContact O-N 3.49Å; R298-E300 PolarHBondContact O-N 3.49Å
299	I	74.9	Confident	60.9	Low	50 Å²	50	87.6 Å²	87.6	26%	0.256	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-75.1	122.3	174.7	-60	171.1	0	0	0	108.9	H52 V53 T55 L288 W293 I297	H52-I299 WeakPolarHBondContact CA-O 3.38Å; H52-I299 WeakPolarHBondContact CB-O 3.24Å; V53-I299 HydrophobicContact CB-CB 4.08Å; V53-I299 HydrophobicContact CB-CG2 4.18Å; V53-I299 HydrophobicContact CG2-CB 4.35Å; V53-I299 HydrophobicContact CG2-CG2 3.98Å; V53-I299 PolarHBondContact N-O 3.05Å; T55-I299 HydrophobicContact CG2-CD1 3.93Å; L288-I299 HydrophobicContact CD1-CD1 4.01Å; W293-I299 HydrophobicContact CH2-CD1 4.04Å; W293-I299 HydrophobicContact CH2-CG1 3.91Å; W293-I299 HydrophobicContact CZ2-CD1 3.51Å; W293-I299 HydrophobicContact CZ2-CG1 3.33Å; I297-I299 PolarHBondContact O-N 3.45Å
300	E	70.6	Confident	59.6	Low	162 Å²	162	88.7 Å²	88.7	76%	0.757	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-67.3	139.3	175.4	-69	-164.6	167.3	0	0	111	R298	R298-E300 PolarHBondContact O-N 3.49Å
301	P	68.2	Low	58.2	Low	28 Å²	28	88.3 Å²	88.3	18%	0.182	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-61.5	141.2	-179.4	24.4	-34.1	0	0	0	112.2	Y37 G744	Y37-P301 HydrophobicContact CD1-CB 3.82Å; Y37-P301 HydrophobicContact CD2-CB 3.86Å; Y37-P301 HydrophobicContact CD2-CG 4.28Å; Y37-P301 HydrophobicContact CE1-CB 3.38Å; Y37-P301 HydrophobicContact CE2-CB 3.4Å; Y37-P301 VanDerWaalsContact CE2-CB 3.4Å; Y37-P301 HydrophobicContact CE2-CG 4.11Å; Y37-P301 HydrophobicContact CG-CB 4.05Å; Y37-P301 WeakPolarHBondContact OH-CB 3.38Å; P301-G744 WeakPolarHBondContact CG-O 3.28Å
302	P	65.1	Low	56.7	Low	62 Å²	62	91.6 Å²	91.6	40%	0.403	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-64.4	148.4	177.9	27.1	-33.9	0	0	0	111.2	S304	P302-S304 PolarHBondContact O-N 3.11Å
303	P	56.9	Low	55.2	Low	108 Å²	108	87.6 Å²	87.6	70%	0.701	50%	0.497	S	S	*	.	S	Bend	trans	-65.7	-23.7	-177.3	25.9	-33.6	0	0	0	113.4
304	S	52.4	Low	53.7	Low	77 Å²	77	85.7 Å²	85.7	54%	0.538	49%	0.491	S	S	.	.	S	Bend	trans	-142.8	132.7	172.8	51.5	0	0	0	0	108.5	P302	P302-S304 PolarHBondContact O-N 3.11Å
305	V	53.5	Low	52.2	Low	73 Å²	73	90.3 Å²	90.3	44%	0.442	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-90.7	120.8	175.3	-169.6	0	0	0	0	106.6	S307	V305-S307 PolarHBondContact O-N 3.42Å
306	P	49.6	Very low	50.5	Low	99 Å²	99	91.5 Å²	91.5	64%	0.643	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-63.3	130.9	172.9	23.9	-30	0	0	0	109.6	Q308	P306-Q308 PolarHBondContact O-N 3.45Å
307	S	44.5	Very low	49	Very low	69 Å²	69	93.3 Å²	93.3	48%	0.483	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-68.4	119.4	177.3	48	0	0	0	0	110.6	V305 V309	V305-S307 PolarHBondContact O-N 3.42Å; S307-V309 VanDerWaalsContact C-N 3.27Å; S307-V309 PolarHBondContact O-N 3.24Å
308	Q	45.9	Very low	47.5	Very low	71 Å²	71	91.8 Å²	91.8	33%	0.332	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.4	-177.1	-75.1	-175.5	-36.2	0	0	115	P306 E310 N311	P306-Q308 PolarHBondContact O-N 3.45Å; Q308-E310 PolarHBondContact O-N 3.23Å; Q308-N311 PolarHBondContact O-N 3.09Å
309	V	40.3	Very low	45.6	Very low	86 Å²	86	91.3 Å²	91.3	52%	0.521	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-61.9	-13.6	178.6	-179.6	0	0	0	0	113.1	M11 S307	M11-V309 HydrophobicContact CE-CG2 4.24Å; S307-V309 VanDerWaalsContact C-N 3.27Å; S307-V309 PolarHBondContact O-N 3.24Å
310	E	38.8	Very low	43.4	Very low	92 Å²	92	95.4 Å²	95.4	43%	0.43	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-89.1	-19.3	-170.3	-133	-170.1	-137.7	0	0	110.5	Q308 T312 K314	Q308-E310 PolarHBondContact O-N 3.23Å; E310-T312 PolarHBondContact O-N 3.16Å; E310-K314 HydrophobicContact CB-CD 4.45Å; E310-K314 VanDerWaalsContact CB-NZ 3.32Å; E310-K314 VanDerWaalsContact CD-CE 3.49Å; E310-K314 VanDerWaalsContact O-CB 3.24Å; E310-K314 WeakPolarHBondContact O-CB 3.05Å; E310-K314 WeakPolarHBondContact O-CD 3.24Å; E310-K314 WeakPolarHBondContact O-CE 3.47Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 WeakPolarHBondContact OE2-CE 3.45Å; E310-K314 IonicContact OE2-NZ 2.82Å; E310-K314 PolarHBondContact OE2-NZ 3.08Å
311	N	34.7	Very low	41.6	Very low	118 Å²	118	91.1 Å²	91.1	63%	0.631	53%	0.525	S	S	*	.	S	Bend	trans	-81.4	-16.7	-168.4	-73.5	-11.4	0	0	0	117.7	Q308 K314	Q308-N311 PolarHBondContact O-N 3.09Å; N311-K314 PolarHBondContact OD1-NZ 3.11Å
312	T	33.7	Very low	40.1	Very low	146 Å²	146	92.2 Å²	92.2	90%	0.896	53%	0.531	S	S	*	.	S	Bend	trans	-109	-5.5	-177.1	22.5	0	0	0	0	115.3	E310	E310-T312 PolarHBondContact O-N 3.16Å
313	S	32.8	Very low	38.4	Very low	65 Å²	65	94.3 Å²	94.3	46%	0.455	54%	0.535	S	S	.	.	S	Bend	trans	-112.9	7.1	172.7	57.7	0	0	0	0	113.3	L315 C316	S313-L315 VanDerWaalsContact C-N 3.27Å; S313-L315 PolarHBondContact O-N 2.77Å; S313-C316 PolarHBondContact O-N 3.35Å
314	K	33.6	Very low	37.3	Very low	49 Å²	49	93.2 Å²	93.2	21%	0.213	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	5.5	-170	-106.6	175.5	-158.5	170.2	0	116.2	E310 N311 I318	E310-K314 HydrophobicContact CB-CD 4.45Å; E310-K314 VanDerWaalsContact CB-NZ 3.32Å; E310-K314 VanDerWaalsContact CD-CE 3.49Å; E310-K314 VanDerWaalsContact O-CB 3.24Å; E310-K314 WeakPolarHBondContact O-CB 3.05Å; E310-K314 WeakPolarHBondContact O-CD 3.24Å; E310-K314 WeakPolarHBondContact O-CE 3.47Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 WeakPolarHBondContact OE2-CE 3.45Å; E310-K314 IonicContact OE2-NZ 2.82Å; E310-K314 PolarHBondContact OE2-NZ 3.08Å; N311-K314 PolarHBondContact OD1-NZ 3.11Å; K314-I318 HydrophobicContact CB-CD1 3.8Å; K314-I318 HydrophobicContact CB-CG1 4.13Å; K314-I318 HydrophobicContact CD-CD1 4.15Å; K314-I318 HydrophobicContact CG-CD1 3.57Å; K314-I318 HydrophobicContact CG-CG1 3.71Å; K314-I318 WeakPolarHBondContact O-CD1 2.99Å; K314-I318 WeakPolarHBondContact O-CG1 3.44Å
315	L	32.9	Very low	36.3	Very low	178 Å²	178	97 Å²	97	93%	0.932	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.6	173.3	-141.1	72	0	0	0	113.7	S313	S313-L315 VanDerWaalsContact C-N 3.27Å; S313-L315 PolarHBondContact O-N 2.77Å
316	C	26.5	Very low	35.4	Very low	113 Å²	113	98.8 Å²	98.8	76%	0.764	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-24	-178	-154.6	0	0	0	0	114.1	S313	S313-C316 PolarHBondContact O-N 3.35Å
317	H	32.5	Very low	34.4	Very low	121 Å²	121	100 Å²	100	56%	0.56	53%	0.533	S	S	*	.	S	Bend	trans	-96.3	-10.3	178.2	-94.1	-70.7	0	0	0	115.4	T319 F320 V321	H317-T319 VanDerWaalsContact C-N 3.33Å; H317-T319 PolarHBondContact O-N 2.9Å; H317-F320 PolarHBondContact O-N 3.45Å; H317-V321 WeakPolarHBondContact O-CG2 3.45Å; H317-V321 PolarHBondContact O-N 3.41Å; H317-V321 VanDerWaalsContact O-N 3.15Å
318	I	38.7	Very low	34	Very low	53 Å²	53	99 Å²	99	27%	0.272	53%	0.525	S	S	.	.	H	α-helix	trans	-68.3	-32.7	-178.4	-69.4	-174.9	0	0	0	111.9	K314 F320 V321 V322 K849	K314-I318 HydrophobicContact CB-CD1 3.8Å; K314-I318 HydrophobicContact CB-CG1 4.13Å; K314-I318 HydrophobicContact CD-CD1 4.15Å; K314-I318 HydrophobicContact CG-CD1 3.57Å; K314-I318 HydrophobicContact CG-CG1 3.71Å; K314-I318 WeakPolarHBondContact O-CD1 2.99Å; K314-I318 WeakPolarHBondContact O-CG1 3.44Å; I318-F320 VanDerWaalsContact C-N 3.26Å; I318-F320 PolarHBondContact O-N 3.29Å; I318-V321 PolarHBondContact O-N 2.88Å; I318-V322 HydrophobicContact CG2-CG2 3.96Å; I318-V322 WeakPolarHBondContact O-CB 3.32Å; I318-V322 VanDerWaalsContact O-CG2 3.24Å; I318-V322 WeakPolarHBondContact O-CG2 3.37Å; I318-V322 PolarHBondContact O-N 3.39Å; I318-V322 VanDerWaalsContact O-N 3.08Å; I318-K849 HydrophobicContact CG2-CD 4.27Å
319	T	32.4	Very low	33.8	Very low	98 Å²	98	101.5 Å²	101.5	60%	0.601	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-33.9	176.7	-30.9	0	0	0	0	111.2	H317 E323	H317-T319 VanDerWaalsContact C-N 3.33Å; H317-T319 PolarHBondContact O-N 2.9Å; T319-E323 PolarHBondContact O-N 3.23Å
320	F	28.7	Very low	33.7	Very low	136 Å²	136	103.7 Å²	103.7	60%	0.596	55%	0.549	S	S	*	.	H	α-helix	trans	-77.6	-36.9	178.3	-165.9	-102.7	0	0	0	112.9	H317 I318 V324	H317-F320 PolarHBondContact O-N 3.45Å; I318-F320 VanDerWaalsContact C-N 3.26Å; I318-F320 PolarHBondContact O-N 3.29Å; F320-V324 HydrophobicContact CD1-CG2 4.27Å; F320-V324 HydrophobicContact CE1-CG2 4.14Å; F320-V324 WeakPolarHBondContact O-CB 3.32Å; F320-V324 WeakPolarHBondContact O-CG2 3.15Å; F320-V324 PolarHBondContact O-N 3.33Å; F320-V324 VanDerWaalsContact O-N 3.16Å
321	V	32.9	Very low	34.2	Very low	71 Å²	71	103.3 Å²	103.3	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-78.5	-27.3	-178.4	-177.1	0	0	0	0	112.3	H317 I318 F325	H317-V321 WeakPolarHBondContact O-CG2 3.45Å; H317-V321 PolarHBondContact O-N 3.41Å; H317-V321 VanDerWaalsContact O-N 3.15Å; I318-V321 PolarHBondContact O-N 2.88Å; V321-F325 HydrophobicContact CG1-CD2 4.38Å; V321-F325 PolarHBondContact O-N 3.41Å
322	V	35.1	Very low	35.3	Very low	51 Å²	51	101 Å²	101	31%	0.309	54%	0.537	S	S	.	.	H	α-helix	trans	-74.9	-41.7	174.7	176.9	0	0	0	0	111	I318 V324 F325 E326 K849	I318-V322 HydrophobicContact CG2-CG2 3.96Å; I318-V322 WeakPolarHBondContact O-CB 3.32Å; I318-V322 VanDerWaalsContact O-CG2 3.24Å; I318-V322 WeakPolarHBondContact O-CG2 3.37Å; I318-V322 PolarHBondContact O-N 3.39Å; I318-V322 VanDerWaalsContact O-N 3.08Å; V322-V324 VanDerWaalsContact C-N 3.26Å; V322-V324 PolarHBondContact O-N 2.81Å; V322-F325 PolarHBondContact O-N 2.95Å; V322-E326 PolarHBondContact O-N 3.3Å; V322-E326 VanDerWaalsContact O-N 3.07Å; V322-K849 HydrophobicContact CG2-CD 4.44Å
323	E	30.6	Very low	36.7	Very low	106 Å²	106	99 Å²	99	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-28.7	172.6	-79.4	-169.1	149.7	0	0	113.1	T319 K327	T319-E323 PolarHBondContact O-N 3.23Å; E323-K327 PolarHBondContact O-N 3.16Å
324	V	33.3	Very low	38.3	Very low	85 Å²	85	96.4 Å²	96.4	52%	0.515	50%	0.503	S	S	.	.	H	α-helix	trans	-74.7	-28.4	177	170	0	0	0	0	112.5	F320 V322	F320-V324 HydrophobicContact CD1-CG2 4.27Å; F320-V324 HydrophobicContact CE1-CG2 4.14Å; F320-V324 WeakPolarHBondContact O-CB 3.32Å; F320-V324 WeakPolarHBondContact O-CG2 3.15Å; F320-V324 PolarHBondContact O-N 3.33Å; F320-V324 VanDerWaalsContact O-N 3.16Å; V322-V324 VanDerWaalsContact C-N 3.26Å; V322-V324 PolarHBondContact O-N 2.81Å
325	F	31.3	Very low	40	Very low	156 Å²	156	95.3 Å²	95.3	68%	0.684	50%	0.499	S	S	*	.	H	α-helix	trans	-82.6	-33	174.4	-95.9	-88.5	0	0	0	112.5	V321 V322 S328	V321-F325 HydrophobicContact CG1-CD2 4.38Å; V321-F325 PolarHBondContact O-N 3.41Å; V322-F325 PolarHBondContact O-N 2.95Å; F325-S328 PolarHBondContact O-N 2.71Å; F325-S328 PolarHBondContact O-OG 3.38Å
326	E	34.2	Very low	41.8	Very low	112 Å²	112	91.2 Å²	91.2	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-74.2	-22.9	-177.8	-86.3	-176.5	145.5	0	0	115.1	V322 S328 K831	V322-E326 PolarHBondContact O-N 3.3Å; V322-E326 VanDerWaalsContact O-N 3.07Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 2.98Å; E326-K831 IonicContact OE1-NZ 2.87Å
327	K	29.5	Very low	44.1	Very low	125 Å²	125	91.6 Å²	91.6	54%	0.543	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.8	176	-78.9	174.9	175.6	160.3	0	115.3	E323 I329 D330 D331	E323-K327 PolarHBondContact O-N 3.16Å; K327-I329 PolarHBondContact O-N 2.97Å; K327-D330 PolarHBondContact O-N 3.32Å; K327-D331 PolarHBondContact O-N 2.88Å
328	S	35	Very low	46.2	Very low	46 Å²	46	87.1 Å²	87.1	32%	0.322	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.7	-160.3	69.3	0	0	0	0	116.5	F325 E326 K688	F325-S328 PolarHBondContact O-N 2.71Å; F325-S328 PolarHBondContact O-OG 3.38Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 2.98Å; S328-K688 PolarHBondContact O-NZ 3.37Å
329	I	42	Very low	48.1	Very low	124 Å²	124	92.3 Å²	92.3	64%	0.636	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-26.3	169.8	-62.1	178.3	0	0	0	110.9	K327	K327-I329 PolarHBondContact O-N 2.97Å
330	D	39.3	Very low	50.5	Low	133 Å²	133	97.1 Å²	97.1	71%	0.711	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.7	179.7	-71.6	-35.6	0	0	0	114.1	K327 K336	K327-D330 PolarHBondContact O-N 3.32Å; D330-K336 WeakPolarHBondContact O-CE 3.4Å
331	D	47.8	Very low	53.2	Low	84 Å²	84	97.2 Å²	97.2	45%	0.449	48%	0.476	S	S	.	.			trans	-102.2	13.5	-175.2	-83.1	-29.4	0	0	0	116.1	K327 D333 K336	K327-D331 PolarHBondContact O-N 2.88Å; D331-D333 VanDerWaalsContact C-N 3.29Å; D331-D333 PolarHBondContact O-N 3.16Å; D331-K336 IonicContact OD1-NZ 3.74Å; D331-K336 PolarHBondContact OD1-NZ 3.21Å
332	D	58.7	Low	55.6	Low	70 Å²	70	97.5 Å²	97.5	37%	0.374	47%	0.472	S	S	.	.			trans	-72.8	90.6	164.6	-77.9	-29.1	0	0	0	108.9	A334 L335	D332-A334 PolarHBondContact O-N 2.98Å; D332-L335 PolarHBondContact O-N 3.37Å
333	D	63	Low	58	Low	103 Å²	103	95.7 Å²	95.7	55%	0.551	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-12.6	176.7	-84.2	-14.4	0	0	0	114.4	D331 K336	D331-D333 VanDerWaalsContact C-N 3.29Å; D331-D333 PolarHBondContact O-N 3.16Å; D333-K336 IonicContact OD1-NZ 2.72Å; D333-K336 PolarHBondContact OD1-NZ 3.24Å
334	A	66.4	Low	60.6	Low	10 Å²	10	90.8 Å²	90.8	8%	0.083	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.2	173.4	0	0	0	0	0	114.7	D332 C696	D332-A334 PolarHBondContact O-N 2.98Å; A334-C696 WeakPolarHBondContact CB-SG 3.06Å
335	L	68.6	Low	63.3	Low	26 Å²	26	87.7 Å²	87.7	14%	0.136	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-7.6	-172.9	-70.3	165.4	0	0	0	113.3	D332 R337 S462 V464 Y698	D332-L335 PolarHBondContact O-N 3.37Å; L335-R337 PolarHBondContact O-N 2.69Å; L335-S462 WeakPolarHBondContact O-CB 3.12Å; L335-V464 HydrophobicContact CD2-CB 4.05Å; L335-V464 HydrophobicContact CD2-CG1 4.44Å; L335-Y698 HydrophobicContact CD1-CE2 4.16Å; L335-Y698 HydrophobicContact CD2-CD2 3.71Å; L335-Y698 HydrophobicContact CD2-CE2 3.88Å; L335-Y698 HydrophobicContact CD2-CG 4.3Å; L335-Y698 HydrophobicContact CG-CD2 4.18Å; L335-Y698 HydrophobicContact CG-CE2 4Å
336	K	71.8	Confident	66	Low	92 Å²	92	84.7 Å²	84.7	40%	0.4	42%	0.416	S	S	.	.	S	Bend	trans	-65.4	121.3	175.2	-69.2	179.7	-178.7	164.7	0	110.7	D330 D331 D333 T338	D330-K336 WeakPolarHBondContact O-CE 3.4Å; D331-K336 IonicContact OD1-NZ 3.74Å; D331-K336 PolarHBondContact OD1-NZ 3.21Å; D333-K336 IonicContact OD1-NZ 2.72Å; D333-K336 PolarHBondContact OD1-NZ 3.24Å; K336-T338 PolarHBondContact O-N 2.74Å
337	R	74	Confident	68.5	Low	122 Å²	122	84.2 Å²	84.2	46%	0.46	41%	0.412	S	S	.	.			trans	-59.1	126.3	179.8	-164.2	179.5	179	100	1.1	110.2	L335 T458 D459	L335-R337 PolarHBondContact O-N 2.69Å; R337-T458 PolarHBondContact NH2-O 3.45Å; R337-D459 HydrophobicContact CG-CB 4.34Å
338	T	76.8	Confident	71.4	Confident	26 Å²	26	78.3 Å²	78.3	16%	0.16	39%	0.387	C	S	.	.			trans	-91.5	-13.5	-172.8	76.1	0	0	0	0	114	K336 R340 G343 G344 K347 D459	K336-T338 PolarHBondContact O-N 2.74Å; T338-R340 PolarHBondContact O-N 2.87Å; T338-R340 VanDerWaalsContact O-N 3.08Å; T338-G343 WeakPolarHBondContact OG1-CA 3.28Å; T338-G344 PolarHBondContact OG1-N 3.45Å; T338-K347 HydrophobicContact CG2-CD 3.79Å; T338-D459 WeakPolarHBondContact CB-OD2 3.25Å; T338-D459 PolarHBondContact N-OD2 3.46Å; T338-D459 PolarHBondContact OG1-OD2 3.07Å
339	H	78.4	Confident	74	Confident	162 Å²	162	79 Å²	79	75%	0.75	39%	0.389	S	S	*	.			trans	57.9	12.5	-176.7	-63.3	-92.1	0	0	0	115.2
340	R	82.7	Confident	76.3	Confident	199 Å²	199	80 Å²	80	75%	0.751	39%	0.388	S	S	*	.	S	Bend	trans	-112.8	139.9	173.2	-63.3	-178.3	-177.5	-171.1	-0.5	108.9	T338 F342 G343	T338-R340 PolarHBondContact O-N 2.87Å; T338-R340 VanDerWaalsContact O-N 3.08Å; R340-F342 PolarHBondContact O-N 2.62Å; R340-G343 PolarHBondContact O-N 3.39Å
341	L	85.1	Confident	78.6	Confident	138 Å²	138	76.8 Å²	76.8	72%	0.723	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	126.9	174	-66.6	174.3	0	0	0	109.5	G343 A457	L341-G343 PolarHBondContact O-N 2.61Å; L341-A457 WeakPolarHBondContact CA-O 3.47Å
342	F	84.9	Confident	80.5	Confident	78 Å²	78	73.3 Å²	73.3	34%	0.342	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	13.8	-173.2	-58.6	-82.9	0	0	0	115.7	R340 G344 L345 V346 L453 V456 A457	R340-F342 PolarHBondContact O-N 2.62Å; F342-G344 PolarHBondContact O-N 3.23Å; F342-L345 HydrophobicContact CB-CB 4.49Å; F342-L345 HydrophobicContact CD1-CD2 3.77Å; F342-L345 PolarHBondContact O-N 2.97Å; F342-V346 WeakPolarHBondContact O-CG2 3.38Å; F342-V346 PolarHBondContact O-N 3.36Å; F342-L453 HydrophobicContact CZ-CD2 4.25Å; F342-V456 HydrophobicContact CD1-CG1 4.37Å; F342-A457 HydrophobicContact CD1-CB 4.49Å; F342-A457 HydrophobicContact CD2-CB 4.47Å; F342-A457 HydrophobicContact CE1-CB 4.06Å; F342-A457 HydrophobicContact CE2-CB 4.02Å; F342-A457 HydrophobicContact CZ-CB 3.8Å; F342-A457 PolarHBondContact N-O 3.08Å
343	G	85.2	Confident	81.9	Confident	12 Å²	12	75.4 Å²	75.4	12%	0.124	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-37.6	-176.3	0	0	0	0	0	113	T338 R340 L341 K347	T338-G343 WeakPolarHBondContact OG1-CA 3.28Å; R340-G343 PolarHBondContact O-N 3.39Å; L341-G343 PolarHBondContact O-N 2.61Å; G343-K347 WeakPolarHBondContact O-CG 3.21Å; G343-K347 PolarHBondContact O-N 3.28Å
344	G	85.1	Confident	83	Confident	3 Å²	3	77.9 Å²	77.9	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-44.9	172.6	0	0	0	0	0	112.4	T338 F342 V346 K347 D348 D459	T338-G344 PolarHBondContact OG1-N 3.45Å; F342-G344 PolarHBondContact O-N 3.23Å; G344-V346 PolarHBondContact O-N 3.05Å; G344-K347 PolarHBondContact O-N 3.02Å; G344-D348 PolarHBondContact O-N 3.15Å; G344-D459 WeakPolarHBondContact CA-OD1 3.49Å; G344-D459 PolarHBondContact N-OD1 3.47Å
345	L	89	Confident	84	Confident	21 Å²	21	82.9 Å²	82.9	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-59.4	-47	177.3	179.3	69.8	0	0	0	112.3	F342 K347 D348 V349 V456 H699 L700 L703	F342-L345 HydrophobicContact CB-CB 4.49Å; F342-L345 HydrophobicContact CD1-CD2 3.77Å; F342-L345 PolarHBondContact O-N 2.97Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 2.89Å; L345-D348 PolarHBondContact O-N 2.71Å; L345-V349 HydrophobicContact CD1-CG2 4.36Å; L345-V349 HydrophobicContact CG-CG2 4.48Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.15Å; L345-V456 HydrophobicContact CB-CG1 4.31Å; L345-V456 HydrophobicContact CD2-CG1 4.32Å; L345-H699 HydrophobicContact CB-CB 4.17Å; L345-H699 HydrophobicContact CD1-CB 4.32Å; L345-L700 HydrophobicContact CD1-CB 4.21Å; L345-L700 HydrophobicContact CD1-CD1 4.16Å; L345-L703 HydrophobicContact CD1-CB 4.29Å; L345-L703 HydrophobicContact CD1-CD2 3.84Å; L345-L703 HydrophobicContact CD2-CD2 3.74Å; L345-L703 HydrophobicContact CG-CD2 4.44Å
346	V	88.8	Confident	84.9	Confident	92 Å²	92	85.6 Å²	85.6	56%	0.558	39%	0.389	S	S	*	.	H	α-helix	trans	-63.1	-37.8	180	173.1	0	0	0	0	111.2	F342 G344 K350	F342-V346 WeakPolarHBondContact O-CG2 3.38Å; F342-V346 PolarHBondContact O-N 3.36Å; G344-V346 PolarHBondContact O-N 3.05Å; V346-K350 VanDerWaalsContact O-CB 3.24Å; V346-K350 WeakPolarHBondContact O-CB 3.36Å; V346-K350 PolarHBondContact O-N 3.35Å
347	K	86.8	Confident	85.5	Confident	103 Å²	103	85.2 Å²	85.2	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-64.5	-43.8	174.4	-73.5	-176.6	-176.8	-176.9	0	111.9	T338 G343 G344 L345 K350 R351	T338-K347 HydrophobicContact CG2-CD 3.79Å; G343-K347 WeakPolarHBondContact O-CG 3.21Å; G343-K347 PolarHBondContact O-N 3.28Å; G344-K347 PolarHBondContact O-N 3.02Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 2.89Å; K347-K350 PolarHBondContact O-N 3.48Å; K347-R351 WeakPolarHBondContact O-CB 3.46Å; K347-R351 PolarHBondContact O-N 2.69Å
348	D	89.3	Confident	86	Confident	1 Å²	1	81 Å²	81	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-46.1	178.6	-76.4	-9.9	0	0	0	111.4	G344 L345 R351 K352 Y698 H699 L700	G344-D348 PolarHBondContact O-N 3.15Å; L345-D348 PolarHBondContact O-N 2.71Å; D348-R351 PolarHBondContact O-N 2.78Å; D348-R351 IonicContact OD1-NH1 3.32Å; D348-R351 PolarHBondContact OD1-NH1 3.4Å; D348-K352 PolarHBondContact O-N 3.26Å; D348-Y698 PolarHBondContact OD2-N 2.96Å; D348-Y698 VanDerWaalsContact OD2-N 3.16Å; D348-H699 WeakPolarHBondContact OD2-CB 3.42Å; D348-H699 IonicContact OD2-CG 3.12Å; D348-H699 PolarHBondContact OD2-N 3.14Å; D348-H699 IonicContact OD2-ND1 2.73Å; D348-H699 PolarHBondContact OD2-ND1 3.14Å; D348-L700 HydrophobicContact CB-CB 4.35Å
349	V	90.1	Very high	86.3	Confident	59 Å²	59	80 Å²	80	36%	0.358	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-47.1	175.3	173.5	0	0	0	0	110.9	L345 R351 K352 I353 L700	L345-V349 HydrophobicContact CD1-CG2 4.36Å; L345-V349 HydrophobicContact CG-CG2 4.48Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.15Å; V349-R351 VanDerWaalsContact C-N 3.28Å; V349-R351 PolarHBondContact O-N 3.43Å; V349-K352 PolarHBondContact O-N 3.3Å; V349-I353 WeakPolarHBondContact O-CB 3.34Å; V349-I353 WeakPolarHBondContact O-CG2 3.49Å; V349-I353 PolarHBondContact O-N 3.45Å; V349-L700 HydrophobicContact CG2-CD1 4.02Å; V349-L700 HydrophobicContact CG2-CD2 4.45Å
350	K	90.5	Very high	86.4	Confident	145 Å²	145	75.6 Å²	75.6	63%	0.63	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-34	179.6	-173.5	176.8	-178.5	178.6	0	112.6	V346 K347	V346-K350 VanDerWaalsContact O-CB 3.24Å; V346-K350 WeakPolarHBondContact O-CB 3.36Å; V346-K350 PolarHBondContact O-N 3.35Å; K347-K350 PolarHBondContact O-N 3.48Å
351	R	87.1	Confident	85.6	Confident	66 Å²	66	70.9 Å²	70.9	25%	0.249	35%	0.351	C	S	.	.	H	α-helix	trans	-70.5	-42.9	176.1	-171.1	-176	-65.7	134	-3.3	111.4	K347 D348 V349 W355 C696	K347-R351 WeakPolarHBondContact O-CB 3.46Å; K347-R351 PolarHBondContact O-N 2.69Å; D348-R351 PolarHBondContact O-N 2.78Å; D348-R351 IonicContact OD1-NH1 3.32Å; D348-R351 PolarHBondContact OD1-NH1 3.4Å; V349-R351 VanDerWaalsContact C-N 3.28Å; V349-R351 PolarHBondContact O-N 3.43Å; R351-W355 VanDerWaalsContact O-CD1 3.3Å; R351-C696 PolarHBondContact NH1-O 2.63Å
352	K	87.6	Confident	84.4	Confident	11 Å²	11	67.4 Å²	67.4	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-85	-33.2	-172.2	-72.8	-75.2	172.5	166.8	0	114.6	D348 V349 K354 W355 Y356 G407 K694 G695	D348-K352 PolarHBondContact O-N 3.26Å; V349-K352 PolarHBondContact O-N 3.3Å; K352-K354 PolarHBondContact O-N 2.92Å; K352-K354 VanDerWaalsContact O-N 3.16Å; K352-W355 PolarHBondContact O-N 3.45Å; K352-Y356 PolarHBondContact O-N 3.48Å; K352-G407 VanDerWaalsContact CD-O 3.27Å; K352-G407 WeakPolarHBondContact CD-O 3.27Å; K352-G407 WeakPolarHBondContact CE-O 3.18Å; K352-G407 PolarHBondContact NZ-O 3.29Å; K352-K694 VanDerWaalsContact CE-O 3.3Å; K352-K694 WeakPolarHBondContact CE-O 3.28Å; K352-K694 PolarHBondContact NZ-O 2.88Å; K352-G695 WeakPolarHBondContact CE-O 3.38Å; K352-G695 PolarHBondContact NZ-O 3.39Å
353	I	88	Confident	83	Confident	114 Å²	114	65.6 Å²	65.6	59%	0.585	33%	0.333	S	S	*	.	H	α-helix	trans	-58.1	-33.4	-177.2	-163	167.6	0	0	0	112.7	V349 W355 Y356	V349-I353 WeakPolarHBondContact O-CB 3.34Å; V349-I353 WeakPolarHBondContact O-CG2 3.49Å; V349-I353 PolarHBondContact O-N 3.45Å; I353-W355 VanDerWaalsContact C-N 3.29Å; I353-W355 PolarHBondContact O-N 3.36Å; I353-Y356 PolarHBondContact O-N 3.13Å
354	K	87.7	Confident	81.4	Confident	156 Å²	156	74 Å²	74	68%	0.678	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-33.6	176.9	-63.1	-176.9	-179.7	-175	0	113	K352	K352-K354 PolarHBondContact O-N 2.92Å; K352-K354 VanDerWaalsContact O-N 3.16Å
355	W	86.6	Confident	79.9	Confident	115 Å²	115	78 Å²	78	44%	0.436	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-14.3	-175.8	-61.3	110.7	0	0	0	113.6	R351 K352 I353 S358 D359 K694	R351-W355 VanDerWaalsContact O-CD1 3.3Å; K352-W355 PolarHBondContact O-N 3.45Å; I353-W355 VanDerWaalsContact C-N 3.29Å; I353-W355 PolarHBondContact O-N 3.36Å; W355-S358 WeakPolarHBondContact O-CA 3.45Å; W355-S358 WeakPolarHBondContact O-CB 3.44Å; W355-S358 PolarHBondContact O-N 3.43Å; W355-S358 PolarHBondContact O-OG 3.46Å; W355-D359 PolarHBondContact O-N 3.4Å; W355-K694 HydrophobicContact CB-CB 4.4Å; W355-K694 HydrophobicContact CB-CD 4.07Å; W355-K694 HydrophobicContact CB-CG 4.22Å; W355-K694 HydrophobicContact CD2-CB 4.43Å; W355-K694 HydrophobicContact CD2-CG 3.92Å; W355-K694 HydrophobicContact CE3-CG 4.19Å; W355-K694 HydrophobicContact CG-CB 4.06Å; W355-K694 HydrophobicContact CG-CD 4.31Å; W355-K694 HydrophobicContact CG-CG 3.93Å
356	Y	88	Confident	78.2	Confident	82 Å²	82	85 Å²	85	32%	0.322	42%	0.415	S	S	.	.	H	α-helix	trans	-49.8	-48.3	-177.4	-165.9	-97.6	0	0	0	114.9	K352 I353 S358 D359 F360 L404	K352-Y356 PolarHBondContact O-N 3.48Å; I353-Y356 PolarHBondContact O-N 3.13Å; Y356-S358 VanDerWaalsContact C-N 3.31Å; Y356-S358 PolarHBondContact O-N 3.43Å; Y356-D359 PolarHBondContact O-N 3.07Å; Y356-F360 HydrophobicContact CD1-CE2 4.33Å; Y356-F360 AromaticContact CE1-CE2 3.78Å; Y356-F360 HydrophobicContact CE1-CE2 3.78Å; Y356-F360 HydrophobicContact CE2-CE2 4.38Å; Y356-F360 AromaticContact CZ-CE2 3.81Å; Y356-L404 WeakPolarHBondContact CE2-O 3.31Å
357	P	84.5	Confident	76.3	Confident	85 Å²	85	86.6 Å²	86.6	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-33	177.4	25.5	-34.2	0	0	0	112.7	D359 F360	P357-D359 PolarHBondContact O-N 2.81Å; P357-F360 PolarHBondContact O-N 3.06Å
358	S	84	Confident	74.6	Confident	32 Å²	32	82.5 Å²	82.5	22%	0.224	41%	0.405	C	S	.	.	H	α-helix	trans	-66.7	-23.1	178.5	81.3	0	0	0	0	113.1	W355 Y356 F360 T361 V362 K694	W355-S358 WeakPolarHBondContact O-CA 3.45Å; W355-S358 WeakPolarHBondContact O-CB 3.44Å; W355-S358 PolarHBondContact O-N 3.43Å; W355-S358 PolarHBondContact O-OG 3.46Å; Y356-S358 VanDerWaalsContact C-N 3.31Å; Y356-S358 PolarHBondContact O-N 3.43Å; S358-F360 VanDerWaalsContact C-N 3.29Å; S358-F360 PolarHBondContact O-N 3.48Å; S358-T361 PolarHBondContact O-OG1 3.35Å; S358-V362 VanDerWaalsContact O-CG2 3.31Å; S358-V362 WeakPolarHBondContact O-CG2 3.49Å; S358-K694 PolarHBondContact OG-NZ 3.41Å
359	D	83.1	Confident	72.7	Confident	5 Å²	5	82.7 Å²	82.7	3%	0.027	41%	0.407	C	S	.	.	H	α-helix	trans	-71.3	-24.6	-179.3	-67.4	-21.6	0	0	0	112.5	W355 Y356 P357 K694 R756	W355-D359 PolarHBondContact O-N 3.4Å; Y356-D359 PolarHBondContact O-N 3.07Å; P357-D359 PolarHBondContact O-N 2.81Å; D359-K694 WeakPolarHBondContact OD1-CD 3.47Å; D359-K694 IonicContact OD1-NZ 3.25Å; D359-K694 PolarHBondContact OD1-NZ 2.74Å; D359-R756 HydrophobicContact CB-CB 4.41Å; D359-R756 HydrophobicContact CB-CG 3.86Å; D359-R756 IonicContact OD2-CZ 3.86Å; D359-R756 IonicContact OD2-NE 3.78Å; D359-R756 PolarHBondContact OD2-NE 3.21Å; D359-R756 IonicContact OD2-NH2 3.8Å; D359-R756 PolarHBondContact OD2-NH2 3.28Å
360	F	80.7	Confident	70.5	Confident	70 Å²	70	84.7 Å²	84.7	31%	0.307	42%	0.415	S	S	.	.	H	α-helix	trans	-92	-28.3	178.7	-69.4	-82.4	0	0	0	112.8	Y356 P357 S358 V362 S363 R756 V757 I760	Y356-F360 HydrophobicContact CD1-CE2 4.33Å; Y356-F360 AromaticContact CE1-CE2 3.78Å; Y356-F360 HydrophobicContact CE1-CE2 3.78Å; Y356-F360 HydrophobicContact CE2-CE2 4.38Å; Y356-F360 AromaticContact CZ-CE2 3.81Å; P357-F360 PolarHBondContact O-N 3.06Å; S358-F360 VanDerWaalsContact C-N 3.29Å; S358-F360 PolarHBondContact O-N 3.48Å; F360-V362 PolarHBondContact O-N 3.48Å; F360-S363 VanDerWaalsContact O-CB 3.24Å; F360-S363 WeakPolarHBondContact O-CB 3.44Å; F360-S363 PolarHBondContact O-N 3.02Å; F360-S363 PolarHBondContact O-OG 2.94Å; F360-R756 HydrophobicContact CZ-CB 4.28Å; F360-V757 HydrophobicContact CD1-CG2 3.7Å; F360-V757 HydrophobicContact CE1-CG2 4.19Å; F360-I760 HydrophobicContact CE1-CD1 4.12Å; F360-I760 HydrophobicContact CZ-CD1 4.38Å
361	T	66.4	Low	68.5	Low	101 Å²	101	80.2 Å²	80.2	62%	0.62	40%	0.396	S	S	*	.	H	α-helix	trans	-74.7	-22.9	-178.3	53.2	0	0	0	0	113.8	S358 S363	S358-T361 PolarHBondContact O-OG1 3.35Å; T361-S363 PolarHBondContact O-N 2.92Å
362	V	59.5	Low	66.9	Low	64 Å²	64	77.1 Å²	77.1	39%	0.388	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.4	179.5	-178	0	0	0	0	112.4	S358 F360 K364	S358-V362 VanDerWaalsContact O-CG2 3.31Å; S358-V362 WeakPolarHBondContact O-CG2 3.49Å; F360-V362 PolarHBondContact O-N 3.48Å; V362-K364 VanDerWaalsContact C-N 3.26Å; V362-K364 PolarHBondContact O-N 3.01Å
363	S	55.5	Low	64.9	Low	41 Å²	41	80.4 Å²	80.4	29%	0.287	40%	0.399	S	S	.	.			trans	-72.5	9.5	-167.7	62.7	0	0	0	0	117.3	F360 T361 I365	F360-S363 VanDerWaalsContact O-CB 3.24Å; F360-S363 WeakPolarHBondContact O-CB 3.44Å; F360-S363 PolarHBondContact O-N 3.02Å; F360-S363 PolarHBondContact O-OG 2.94Å; T361-S363 PolarHBondContact O-N 2.92Å; S363-I365 PolarHBondContact O-N 3.03Å
364	K	51.9	Low	62.8	Low	188 Å²	188	76.3 Å²	76.3	82%	0.817	38%	0.382	S	S	*	.			trans	-66	0.5	-175.9	-68.7	-170.8	179.4	-178.6	0	115.4	V362	V362-K364 VanDerWaalsContact C-N 3.26Å; V362-K364 PolarHBondContact O-N 3.01Å
365	I	53.7	Low	60.8	Low	87 Å²	87	72.9 Å²	72.9	45%	0.446	37%	0.365	S	S	.	.			trans	-116.7	98	-177.9	-69.2	165.5	0	0	0	109.9	S363 L367	S363-I365 PolarHBondContact O-N 3.03Å; I365-L367 HydrophobicContact CG2-CB 4.37Å; I365-L367 PolarHBondContact O-N 3.49Å
366	F	51.5	Low	58.9	Low	168 Å²	168	68.2 Å²	68.2	74%	0.737	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	5.2	-179.3	-81.6	-89.7	0	0	0	115.1	P369	F366-P369 WeakPolarHBondContact O-CD 3.24Å
367	L	49.9	Very low	57.1	Low	125 Å²	125	65.7 Å²	65.7	65%	0.654	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.8	-171	-87.8	98.4	0	0	0	115.3	I365	I365-L367 HydrophobicContact CG2-CB 4.37Å; I365-L367 PolarHBondContact O-N 3.49Å
368	A	51.5	Low	55.2	Low	17 Å²	17	67.7 Å²	67.7	14%	0.14	34%	0.343	C	S	.	.	S	Bend	trans	-78	-30.9	-176.6	0	0	0	0	0	116.8	N370 F371 L734 T758	A368-N370 VanDerWaalsContact C-N 3.35Å; A368-N370 PolarHBondContact O-N 2.99Å; A368-F371 WeakPolarHBondContact O-CB 3.15Å; A368-F371 PolarHBondContact O-N 2.84Å; A368-L734 HydrophobicContact CB-CD2 4.2Å; A368-T758 HydrophobicContact CB-CG2 3.62Å
369	P	48.4	Very low	53.3	Low	6 Å²	6	69 Å²	69	4%	0.039	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.9	-173.1	-21.4	33	0	0	0	114.7	F366 F371 F372 T758 L761 F765	F366-P369 WeakPolarHBondContact O-CD 3.24Å; P369-F371 PolarHBondContact O-N 3.43Å; P369-F372 PolarHBondContact O-N 3.08Å; P369-T758 HydrophobicContact CG-CG2 4.47Å; P369-L761 HydrophobicContact CB-CB 4.17Å; P369-L761 HydrophobicContact CB-CD1 4.15Å; P369-L761 HydrophobicContact CG-CB 4.36Å; P369-L761 HydrophobicContact CG-CD1 3.52Å; P369-F765 HydrophobicContact CB-CD2 4.49Å; P369-F765 HydrophobicContact CB-CE2 3.88Å
370	N	44.5	Very low	51.4	Low	100 Å²	100	69.2 Å²	69.2	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-20.8	-177.2	-70.2	1.3	0	0	0	112.9	A368 F372 I611	A368-N370 VanDerWaalsContact C-N 3.35Å; A368-N370 PolarHBondContact O-N 2.99Å; N370-F372 VanDerWaalsContact C-N 3.26Å; N370-F372 PolarHBondContact O-N 3.33Å; N370-I611 VanDerWaalsContact O-CD1 3.28Å; N370-I611 WeakPolarHBondContact O-CD1 3.38Å
371	F	49.4	Very low	49.7	Very low	51 Å²	51	67.1 Å²	67.1	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-68.8	-22.7	-180	-174.7	-101.2	0	0	0	113.3	A368 P369 D607 A733	A368-F371 WeakPolarHBondContact O-CB 3.15Å; A368-F371 PolarHBondContact O-N 2.84Å; P369-F371 PolarHBondContact O-N 3.43Å; F371-D607 WeakPolarHBondContact CD2-O 3.21Å; F371-D607 WeakPolarHBondContact CE2-O 3.38Å; F371-A733 HydrophobicContact CD1-CB 4.31Å; F371-A733 HydrophobicContact CE1-CB 4.44Å
372	F	52.5	Low	48.5	Very low	1 Å²	1	67 Å²	67	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-97.2	-23.9	-168.4	-87.6	-80.1	0	0	0	114.8	P369 N370 A374 R375 L376 M412 M726 H730 V762	P369-F372 PolarHBondContact O-N 3.08Å; N370-F372 VanDerWaalsContact C-N 3.26Å; N370-F372 PolarHBondContact O-N 3.33Å; F372-A374 VanDerWaalsContact C-N 3.34Å; F372-A374 PolarHBondContact O-N 3.29Å; F372-R375 PolarHBondContact O-N 3.28Å; F372-L376 HydrophobicContact CB-CD1 4.13Å; F372-L376 HydrophobicContact CD1-CD1 3.98Å; F372-L376 PolarHBondContact O-N 3.33Å; F372-L376 VanDerWaalsContact O-N 3.13Å; F372-M412 HydrophobicContact CD1-CE 3.79Å; F372-M412 HydrophobicContact CE1-CE 4.07Å; F372-M412 HydrophobicContact CG-CE 4.18Å; F372-M726 HydrophobicContact CD1-CE 4.09Å; F372-M726 HydrophobicContact CE1-CE 4.18Å; F372-H730 HydrophobicContact CE1-CB 3.9Å; F372-H730 HydrophobicContact CE2-CB 4.15Å; F372-H730 AromaticContact CE2-CD2 3.53Å; F372-H730 HydrophobicContact CZ-CB 3.38Å; F372-H730 AromaticContact CZ-CD2 3.69Å; F372-H730 AromaticContact CZ-CG 3.83Å; F372-V762 HydrophobicContact CB-CB 4.13Å; F372-V762 HydrophobicContact CB-CG1 3.65Å; F372-V762 HydrophobicContact CB-CG2 3.28Å; F372-V762 HydrophobicContact CD1-CG1 4.42Å; F372-V762 HydrophobicContact CD2-CG2 4.05Å; F372-V762 HydrophobicContact CG-CG1 4.2Å; F372-V762 HydrophobicContact CG-CG2 3.7Å
373	F	46.8	Very low	47.5	Very low	81 Å²	81	65.5 Å²	65.5	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-45.8	-176.5	-168.6	-101.2	0	0	0	112.2	R375 V377 F765 T769	F373-R375 PolarHBondContact O-N 3.48Å; F373-V377 WeakPolarHBondContact O-CG2 3.48Å; F373-F765 HydrophobicContact CD2-CB 3.89Å; F373-F765 HydrophobicContact CE2-CB 4.2Å; F373-T769 WeakPolarHBondContact CE2-OG1 3.21Å; F373-T769 HydrophobicContact CZ-CG2 4Å; F373-T769 WeakPolarHBondContact CZ-OG1 3.23Å
374	A	42.4	Very low	46.9	Very low	28 Å²	28	71.6 Å²	71.6	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-71.2	-27.6	-178	0	0	0	0	0	113.7	F372 I611 I614	F372-A374 VanDerWaalsContact C-N 3.34Å; F372-A374 PolarHBondContact O-N 3.29Å; A374-I611 HydrophobicContact CB-CG1 3.98Å; A374-I614 HydrophobicContact CB-CD1 4.17Å
375	R	45.6	Very low	46.6	Very low	84 Å²	84	65.8 Å²	65.8	32%	0.317	32%	0.324	S	S	.	.	H	α-helix	trans	-90.7	-21.7	-174.2	-156.1	164.8	171.8	169.1	-4.7	113.3	F372 F373 M726	F372-R375 PolarHBondContact O-N 3.28Å; F373-R375 PolarHBondContact O-N 3.48Å; R375-M726 HydrophobicContact CB-CE 4.28Å; R375-M726 HydrophobicContact CG-CE 4.28Å; R375-M726 HydrophobicContact CG-SD 3.9Å
376	L	47.9	Very low	46.2	Very low	17 Å²	17	67.5 Å²	67.5	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-86.7	-24.7	178.5	-92.7	144.2	0	0	0	115	F372 Q378 P379 M726 V762 F763 I766	F372-L376 HydrophobicContact CB-CD1 4.13Å; F372-L376 HydrophobicContact CD1-CD1 3.98Å; F372-L376 PolarHBondContact O-N 3.33Å; F372-L376 VanDerWaalsContact O-N 3.13Å; L376-Q378 PolarHBondContact O-N 3.49Å; L376-P379 WeakPolarHBondContact O-CD 3.47Å; L376-M726 HydrophobicContact CD1-CE 3.96Å; L376-M726 HydrophobicContact CD2-CE 4.09Å; L376-M726 HydrophobicContact CG-CE 3.53Å; L376-V762 HydrophobicContact CD1-CB 4.48Å; L376-V762 HydrophobicContact CD1-CG1 2.99Å; L376-V762 HydrophobicContact CG-CG1 4.43Å; L376-F763 HydrophobicContact CD2-CE1 4.35Å; L376-I766 HydrophobicContact CB-CD1 3.71Å; L376-I766 HydrophobicContact CB-CG1 4.3Å; L376-I766 HydrophobicContact CD1-CD1 4.01Å; L376-I766 HydrophobicContact CD2-CD1 3.79Å; L376-I766 HydrophobicContact CG-CD1 4.01Å
377	V	49.1	Very low	46.5	Very low	29 Å²	29	60.4 Å²	60.4	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-27.3	179.8	175.6	0	0	0	0	111.2	F373 M381 L631	F373-V377 WeakPolarHBondContact O-CG2 3.48Å; V377-M381 HydrophobicContact CG1-CE 3.94Å; V377-M381 HydrophobicContact CG1-CG 4.08Å; V377-M381 WeakPolarHBondContact O-CG 3.4Å; V377-L631 HydrophobicContact CG1-CD2 3.85Å
378	Q	45.3	Very low	47.2	Very low	126 Å²	126	55.6 Å²	55.6	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-72.5	-43	-169	-139.1	160.8	-6.5	0	0	114.8	L376 H382	L376-Q378 PolarHBondContact O-N 3.49Å; Q378-H382 PolarHBondContact O-CD2 3.07Å; Q378-H382 VanDerWaalsContact O-CD2 3.26Å
379	P	43.2	Very low	48.2	Very low	59 Å²	59	55.4 Å²	55.4	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-74.4	-33.3	176.8	-15.4	30	0	0	0	113.2	L376 M381	L376-P379 WeakPolarHBondContact O-CD 3.47Å; P379-M381 PolarHBondContact O-N 3.2Å
380	A	42.9	Very low	49.6	Very low	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-21.5	-173.8	0	0	0	0	0	113.4	N391 L392	A380-N391 PolarHBondContact O-ND2 2.86Å; A380-N391 VanDerWaalsContact O-ND2 3.09Å; A380-L392 HydrophobicContact CB-CD2 4.18Å
381	M	45.7	Very low	51.1	Low	26 Å²	26	51.1 Å²	51.1	13%	0.128	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.7	-171.6	-64.8	-81.7	-173.3	0	0	113.9	V377 P379 C383 L392 L631 V633	V377-M381 HydrophobicContact CG1-CE 3.94Å; V377-M381 HydrophobicContact CG1-CG 4.08Å; V377-M381 WeakPolarHBondContact O-CG 3.4Å; P379-M381 PolarHBondContact O-N 3.2Å; M381-C383 PolarHBondContact O-N 3.24Å; M381-L392 HydrophobicContact CE-CD1 3.87Å; M381-L392 HydrophobicContact CE-CD2 4.2Å; M381-L392 HydrophobicContact CE-CG 4.49Å; M381-L631 HydrophobicContact CB-CD1 3.53Å; M381-L631 HydrophobicContact CE-CD2 4.16Å; M381-L631 HydrophobicContact CG-CD1 3.53Å; M381-L631 HydrophobicContact CG-CD2 4.39Å; M381-L631 HydrophobicContact CG-CG 4.46Å; M381-L631 HydrophobicContact SD-CD1 3.77Å; M381-L631 HydrophobicContact SD-CD2 4.42Å; M381-L631 HydrophobicContact SD-CG 4.3Å; M381-V633 HydrophobicContact CE-CG2 3.85Å
382	H	42.5	Very low	52.3	Low	97 Å²	97	49.2 Å²	49.2	45%	0.449	25%	0.245	S	C	.	.			trans	-82.3	-2.6	-168.5	-94.2	-46.4	0	0	0	116.8	Q378 K490	Q378-H382 PolarHBondContact O-CD2 3.07Å; Q378-H382 VanDerWaalsContact O-CD2 3.26Å; H382-K490 PolarHBondContact CD2-NZ 3.07Å; H382-K490 PolarHBondContact CE1-NZ 3.27Å; H382-K490 VanDerWaalsContact CG-NZ 3.29Å; H382-K490 PolarHBondContact ND1-NZ 2.86Å; H382-K490 PolarHBondContact NE2-NZ 3.33Å
383	C	37.9	Very low	53.7	Low	33 Å²	33	51.7 Å²	51.7	22%	0.223	26%	0.256	C	S	.	.			trans	-116.7	92.4	177	-86.7	0	0	0	0	112.4	M381 L385	M381-C383 PolarHBondContact O-N 3.24Å; C383-L385 PolarHBondContact O-N 2.91Å
384	R	43.2	Very low	55.5	Low	169 Å²	169	47.8 Å²	47.8	64%	0.638	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	1	165.1	-78.5	-176.1	174.8	150.3	-0.8	114	H386	R384-H386 PolarHBondContact O-N 2.57Å
385	L	45.6	Very low	57.4	Low	67 Å²	67	46.7 Å²	46.7	35%	0.351	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	80.7	171.4	-78.1	159.5	0	0	0	108.5	C383 A387 P791	C383-L385 PolarHBondContact O-N 2.91Å; L385-A387 PolarHBondContact O-N 3.22Å; L385-P791 HydrophobicContact CD1-CG 3.25Å; L385-P791 HydrophobicContact CD2-CG 4.47Å; L385-P791 HydrophobicContact CG-CG 3.97Å
386	H	44.9	Very low	59.3	Low	122 Å²	122	43 Å²	43	57%	0.565	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.3	162.7	-48.6	146.5	0	0	0	120.5	R384 T640	R384-H386 PolarHBondContact O-N 2.57Å; H386-T640 VanDerWaalsContact C-OG1 3.29Å; H386-T640 VanDerWaalsContact CA-CG2 3.48Å; H386-T640 HydrophobicContact CB-CG2 3.95Å; H386-T640 WeakPolarHBondContact O-CB 3.48Å; H386-T640 PolarHBondContact O-OG1 3.41Å
387	A	58.3	Low	61.2	Low	19 Å²	19	44.7 Å²	44.7	16%	0.157	23%	0.226	C	C	.	.			trans	-154.9	25.4	-172.3	0	0	0	0	0	119.2	L385 I389 E390 N391	L385-A387 PolarHBondContact O-N 3.22Å; A387-I389 VanDerWaalsContact C-N 3.32Å; A387-I389 PolarHBondContact O-N 3.36Å; A387-E390 WeakPolarHBondContact CA-OE2 3.47Å; A387-E390 HydrophobicContact CB-CB 4.11Å; A387-E390 PolarHBondContact O-N 2.89Å; A387-N391 VanDerWaalsContact O-CB 3.29Å; A387-N391 WeakPolarHBondContact O-CB 3.4Å; A387-N391 PolarHBondContact O-N 2.78Å
388	A	63.3	Low	63.1	Low	25 Å²	25	43.4 Å²	43.4	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-39.9	-177	0	0	0	0	0	112.4	L392	A388-L392 WeakPolarHBondContact O-CG 3.4Å; A388-L392 PolarHBondContact O-N 3.3Å
389	I	72.5	Confident	65.2	Low	12 Å²	12	37.4 Å²	37.4	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-72.6	-44.8	178.2	-61.3	167.5	0	0	0	110.1	A387 N391 L392 F393 P634 K636 F637 E638 W646	A387-I389 VanDerWaalsContact C-N 3.32Å; A387-I389 PolarHBondContact O-N 3.36Å; I389-N391 VanDerWaalsContact C-N 3.29Å; I389-N391 PolarHBondContact O-N 2.68Å; I389-L392 PolarHBondContact O-N 2.88Å; I389-L392 VanDerWaalsContact O-N 3.15Å; I389-F393 VanDerWaalsContact O-CB 3.25Å; I389-F393 WeakPolarHBondContact O-CB 3.49Å; I389-F393 PolarHBondContact O-N 2.99Å; I389-P634 HydrophobicContact CD1-CB 3.84Å; I389-P634 HydrophobicContact CD1-CG 3.52Å; I389-P634 HydrophobicContact CG1-CB 4.13Å; I389-P634 HydrophobicContact CG1-CG 3.23Å; I389-K636 WeakPolarHBondContact CD1-O 3.39Å; I389-F637 HydrophobicContact CG2-CD2 3.51Å; I389-F637 HydrophobicContact CG2-CE2 3.56Å; I389-F637 HydrophobicContact CG2-CG 4.44Å; I389-E638 VanDerWaalsContact CD1-O 3.3Å; I389-E638 WeakPolarHBondContact CD1-O 3.49Å; I389-W646 HydrophobicContact CG2-CH2 4.21Å
390	E	77	Confident	67.4	Low	10 Å²	10	36.7 Å²	36.7	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-38.6	179.9	-65.6	87.5	154.6	0	0	110.9	A387 S394 T640 L717	A387-E390 WeakPolarHBondContact CA-OE2 3.47Å; A387-E390 HydrophobicContact CB-CB 4.11Å; A387-E390 PolarHBondContact O-N 2.89Å; E390-S394 WeakPolarHBondContact O-CB 3.49Å; E390-S394 PolarHBondContact O-N 3.45Å; E390-T640 WeakPolarHBondContact OE1-CB 3.41Å; E390-T640 PolarHBondContact OE1-N 2.91Å; E390-T640 PolarHBondContact OE1-OG1 3.22Å; E390-T640 PolarHBondContact OE2-OG1 3.27Å; E390-L717 HydrophobicContact CB-CD2 3.78Å; E390-L717 HydrophobicContact CG-CD2 4.16Å
391	N	76.6	Confident	69.7	Low	7 Å²	7	37.7 Å²	37.7	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-50.1	171.2	-84	-17.4	0	0	0	112	A380 A387 I389 S394 G395 P718 F720	A380-N391 PolarHBondContact O-ND2 2.86Å; A380-N391 VanDerWaalsContact O-ND2 3.09Å; A387-N391 VanDerWaalsContact O-CB 3.29Å; A387-N391 WeakPolarHBondContact O-CB 3.4Å; A387-N391 PolarHBondContact O-N 2.78Å; I389-N391 VanDerWaalsContact C-N 3.29Å; I389-N391 PolarHBondContact O-N 2.68Å; N391-S394 PolarHBondContact O-N 3.25Å; N391-G395 PolarHBondContact O-N 3.4Å; N391-P718 WeakPolarHBondContact OD1-CG 3.16Å; N391-F720 WeakPolarHBondContact O-CZ 3.3Å
392	L	75.6	Confident	72	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-43.4	-179.1	-72.8	167.9	0	0	0	111.7	A380 M381 A388 I389 G395 A396 I766	A380-L392 HydrophobicContact CB-CD2 4.18Å; M381-L392 HydrophobicContact CE-CD1 3.87Å; M381-L392 HydrophobicContact CE-CD2 4.2Å; M381-L392 HydrophobicContact CE-CG 4.49Å; A388-L392 WeakPolarHBondContact O-CG 3.4Å; A388-L392 PolarHBondContact O-N 3.3Å; I389-L392 PolarHBondContact O-N 2.88Å; I389-L392 VanDerWaalsContact O-N 3.15Å; L392-G395 PolarHBondContact O-N 3.46Å; L392-A396 WeakPolarHBondContact O-CB 2.99Å; L392-A396 PolarHBondContact O-N 2.99Å; L392-I766 HydrophobicContact CD2-CG2 3.94Å
393	F	81.3	Confident	74.2	Confident	53 Å²	53	31.8 Å²	31.8	23%	0.232	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-44.6	177.9	-175.4	-114.2	0	0	0	111.6	I389 A396 I397 F637 W646 L717	I389-F393 VanDerWaalsContact O-CB 3.25Å; I389-F393 WeakPolarHBondContact O-CB 3.49Å; I389-F393 PolarHBondContact O-N 2.99Å; F393-A396 PolarHBondContact O-N 3.38Å; F393-I397 HydrophobicContact CD1-CD1 3.99Å; F393-I397 HydrophobicContact CD2-CD1 4.16Å; F393-I397 HydrophobicContact CE1-CD1 3.42Å; F393-I397 VanDerWaalsContact CE1-CD1 3.42Å; F393-I397 HydrophobicContact CE2-CD1 3.62Å; F393-I397 HydrophobicContact CE2-CG1 4.35Å; F393-I397 HydrophobicContact CG-CD1 4.35Å; F393-I397 HydrophobicContact CZ-CD1 3.23Å; F393-I397 HydrophobicContact CZ-CG1 4.39Å; F393-I397 PolarHBondContact O-N 3.06Å; F393-F637 HydrophobicContact CB-CE2 4.31Å; F393-F637 HydrophobicContact CB-CZ 4.48Å; F393-F637 AromaticContact CD2-CE2 3.97Å; F393-F637 HydrophobicContact CD2-CE2 3.97Å; F393-F637 AromaticContact CD2-CZ 3.58Å; F393-F637 HydrophobicContact CD2-CZ 3.58Å; F393-F637 AromaticContact CE2-CZ 3.83Å; F393-F637 HydrophobicContact CE2-CZ 3.83Å; F393-F637 HydrophobicContact CG-CE2 4.32Å; F393-F637 HydrophobicContact CG-CZ 4.03Å; F393-F637 HydrophobicContact CZ-CZ 4.48Å; F393-W646 HydrophobicContact CD1-CE3 4.2Å; F393-W646 HydrophobicContact CD1-CH2 4.34Å; F393-W646 AromaticContact CD1-CZ3 3.63Å; F393-W646 HydrophobicContact CD1-CZ3 3.63Å; F393-W646 HydrophobicContact CE1-CE3 4.04Å; F393-W646 AromaticContact CE1-CZ3 3.92Å; F393-W646 HydrophobicContact CE1-CZ3 3.92Å; F393-W646 HydrophobicContact CG-CZ3 4.21Å; F393-L717 HydrophobicContact CD1-CD1 3.75Å; F393-L717 HydrophobicContact CD1-CD2 4.06Å; F393-L717 HydrophobicContact CE1-CD1 4.09Å
394	S	84.4	Confident	76.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-47.1	173.7	-171.1	0	0	0	0	111.5	E390 N391 A396 I397 C398 P718 F720	E390-S394 WeakPolarHBondContact O-CB 3.49Å; E390-S394 PolarHBondContact O-N 3.45Å; N391-S394 PolarHBondContact O-N 3.25Å; S394-A396 VanDerWaalsContact C-N 3.31Å; S394-A396 PolarHBondContact O-N 3.23Å; S394-I397 PolarHBondContact O-N 3.49Å; S394-C398 WeakPolarHBondContact O-CB 3.22Å; S394-C398 PolarHBondContact O-N 2.92Å; S394-C398 PolarHBondContact O-SG 3.21Å; S394-P718 PolarHBondContact OG-O 3.38Å; S394-F720 WeakPolarHBondContact OG-CD2 3.18Å
395	G	83.5	Confident	78.9	Confident	4 Å²	4	30.4 Å²	30.4	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-40.7	177.8	0	0	0	0	0	112.8	N391 L392 G399 F763	N391-G395 PolarHBondContact O-N 3.4Å; L392-G395 PolarHBondContact O-N 3.46Å; G395-G399 WeakPolarHBondContact O-CA 3.44Å; G395-G399 PolarHBondContact O-N 3.04Å; G395-F763 WeakPolarHBondContact O-CD1 3.32Å
396	A	84	Confident	81	Confident	7 Å²	7	27.2 Å²	27.2	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-53.8	175.8	0	0	0	0	0	112.2	L392 F393 S394 I400 A767	L392-A396 WeakPolarHBondContact O-CB 2.99Å; L392-A396 PolarHBondContact O-N 2.99Å; F393-A396 PolarHBondContact O-N 3.38Å; S394-A396 VanDerWaalsContact C-N 3.31Å; S394-A396 PolarHBondContact O-N 3.23Å; A396-I400 WeakPolarHBondContact O-CB 3.3Å; A396-I400 WeakPolarHBondContact O-CD1 3.26Å; A396-I400 WeakPolarHBondContact O-CG1 3.47Å; A396-I400 PolarHBondContact O-N 2.66Å; A396-A767 HydrophobicContact CB-CB 3.79Å
397	I	88.5	Confident	83	Confident	52 Å²	52	21.4 Å²	21.4	27%	0.267	11%	0.112	S	C	.	.	H	α-helix	trans	-66.3	-52.4	-176.9	-68.7	175.6	0	0	0	111	F393 S394 G399 I400 M401 I711	F393-I397 HydrophobicContact CD1-CD1 3.99Å; F393-I397 HydrophobicContact CD2-CD1 4.16Å; F393-I397 HydrophobicContact CE1-CD1 3.42Å; F393-I397 VanDerWaalsContact CE1-CD1 3.42Å; F393-I397 HydrophobicContact CE2-CD1 3.62Å; F393-I397 HydrophobicContact CE2-CG1 4.35Å; F393-I397 HydrophobicContact CG-CD1 4.35Å; F393-I397 HydrophobicContact CZ-CD1 3.23Å; F393-I397 HydrophobicContact CZ-CG1 4.39Å; F393-I397 PolarHBondContact O-N 3.06Å; S394-I397 PolarHBondContact O-N 3.49Å; I397-G399 VanDerWaalsContact C-N 3.31Å; I397-G399 PolarHBondContact O-N 3.15Å; I397-I400 PolarHBondContact O-N 3.4Å; I397-M401 WeakPolarHBondContact O-CB 3.37Å; I397-M401 PolarHBondContact O-N 2.89Å; I397-I711 HydrophobicContact CG2-CG2 4.43Å
398	C	89.5	Confident	84.5	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-39.7	-176.7	-58.4	0	0	0	0	110.9	S394 Y402 V708 T712 F720	S394-C398 WeakPolarHBondContact O-CB 3.22Å; S394-C398 PolarHBondContact O-N 2.92Å; S394-C398 PolarHBondContact O-SG 3.21Å; C398-Y402 WeakPolarHBondContact O-CB 3.45Å; C398-Y402 PolarHBondContact O-N 3.32Å; C398-V708 HydrophobicContact CB-CG1 4.07Å; C398-V708 HydrophobicContact CB-CG2 4.41Å; C398-T712 VanDerWaalsContact SG-CG2 3.59Å; C398-F720 HydrophobicContact CB-CB 4.21Å
399	G	88.6	Confident	85.6	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-68.6	-40.7	178.9	0	0	0	0	0	113.9	G395 I397 S403 F763	G395-G399 WeakPolarHBondContact O-CA 3.44Å; G395-G399 PolarHBondContact O-N 3.04Å; I397-G399 VanDerWaalsContact C-N 3.31Å; I397-G399 PolarHBondContact O-N 3.15Å; G399-S403 VanDerWaalsContact O-CB 3.3Å; G399-S403 WeakPolarHBondContact O-CB 3.27Å; G399-S403 PolarHBondContact O-N 3.19Å; G399-S403 PolarHBondContact O-OG 3.18Å; G399-F763 VanDerWaalsContact CA-CE2 3.43Å; G399-F763 VanDerWaalsContact O-CD2 3.32Å; G399-F763 WeakPolarHBondContact O-CD2 3.37Å
400	I	89.7	Confident	86.3	Confident	43 Å²	43	19 Å²	19	22%	0.221	9%	0.093	C	C	.	.	H	α-helix	trans	-66.3	-48.6	174.9	-69.1	166.4	0	0	0	110.1	A396 I397 Y402 S403 L404 F763 L764	A396-I400 WeakPolarHBondContact O-CB 3.3Å; A396-I400 WeakPolarHBondContact O-CD1 3.26Å; A396-I400 WeakPolarHBondContact O-CG1 3.47Å; A396-I400 PolarHBondContact O-N 2.66Å; I397-I400 PolarHBondContact O-N 3.4Å; I400-Y402 VanDerWaalsContact C-N 3.27Å; I400-Y402 PolarHBondContact O-N 2.79Å; I400-S403 PolarHBondContact O-N 3.38Å; I400-L404 HydrophobicContact CG2-CD1 3.87Å; I400-L404 WeakPolarHBondContact O-CG 3.3Å; I400-L404 PolarHBondContact O-N 3.11Å; I400-F763 HydrophobicContact CG1-CB 3.79Å; I400-L764 HydrophobicContact CD1-CD2 3.75Å; I400-L764 HydrophobicContact CD1-CG 4.24Å
401	M	91.7	Very high	86.8	Confident	32 Å²	32	18.5 Å²	18.5	16%	0.158	9%	0.091	C	C	.	.	H	α-helix	trans	-58.6	-43.2	178.4	-171.8	-176.8	69.5	0	0	111	I397 L404 F405 L704 F707 V708 I711	I397-M401 WeakPolarHBondContact O-CB 3.37Å; I397-M401 PolarHBondContact O-N 2.89Å; M401-L404 PolarHBondContact O-N 3.25Å; M401-F405 HydrophobicContact CG-CD2 4.07Å; M401-F405 HydrophobicContact CG-CE2 4.49Å; M401-F405 WeakPolarHBondContact O-CD2 3.29Å; M401-F405 PolarHBondContact O-N 2.94Å; M401-F405 VanDerWaalsContact O-N 3.1Å; M401-L704 HydrophobicContact CE-CD1 4.02Å; M401-L704 HydrophobicContact CG-CD1 4.18Å; M401-L704 HydrophobicContact SD-CD1 4.46Å; M401-F707 HydrophobicContact CE-CB 4.47Å; M401-V708 HydrophobicContact CE-CB 4.13Å; M401-V708 HydrophobicContact CE-CG2 3.19Å; M401-I711 HydrophobicContact CE-CD1 3.94Å; M401-I711 HydrophobicContact SD-CD1 3.38Å; M401-I711 WeakPolarHBondContact SD-CD1 3.07Å
402	Y	92.4	Very high	87.4	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.4	-48.3	178	-171.7	-98.8	0	0	0	112.8	C398 I400 L404 F405 A406 T411 I413 H678 D701 L704	C398-Y402 WeakPolarHBondContact O-CB 3.45Å; C398-Y402 PolarHBondContact O-N 3.32Å; I400-Y402 VanDerWaalsContact C-N 3.27Å; I400-Y402 PolarHBondContact O-N 2.79Å; Y402-L404 PolarHBondContact O-N 2.96Å; Y402-F405 PolarHBondContact O-N 3.38Å; Y402-A406 HydrophobicContact CD1-CB 3.94Å; Y402-A406 HydrophobicContact CD2-CB 4.13Å; Y402-A406 HydrophobicContact CE1-CB 3.68Å; Y402-A406 HydrophobicContact CE2-CB 3.92Å; Y402-A406 HydrophobicContact CG-CB 4.15Å; Y402-A406 WeakPolarHBondContact O-CA 2.95Å; Y402-A406 WeakPolarHBondContact O-CB 3.48Å; Y402-A406 PolarHBondContact O-N 3.03Å; Y402-T411 WeakPolarHBondContact CE1-O 3.41Å; Y402-T411 WeakPolarHBondContact CE1-OG1 3.39Å; Y402-T411 VanDerWaalsContact CZ-OG1 3.27Å; Y402-T411 PolarHBondContact OH-OG1 3.2Å; Y402-I413 HydrophobicContact CD1-CD1 3.83Å; Y402-I413 HydrophobicContact CD1-CG1 3.6Å; Y402-I413 HydrophobicContact CD2-CD1 3.41Å; Y402-I413 VanDerWaalsContact CD2-CD1 3.41Å; Y402-I413 HydrophobicContact CD2-CG1 4.06Å; Y402-I413 HydrophobicContact CE1-CD1 4.48Å; Y402-I413 HydrophobicContact CE1-CG1 4.07Å; Y402-I413 HydrophobicContact CE2-CD1 4.11Å; Y402-I413 HydrophobicContact CE2-CG1 4.48Å; Y402-I413 HydrophobicContact CG-CD1 3.22Å; Y402-I413 HydrophobicContact CG-CG1 3.58Å; Y402-H678 AromaticContact CE2-CE1 3.96Å; Y402-H678 AromaticContact CZ-CE1 3.93Å; Y402-H678 PolarHBondContact OH-CE1 3.26Å; Y402-H678 VanDerWaalsContact OH-CE1 3.27Å; Y402-D701 HydrophobicContact CE2-CB 4.47Å; Y402-L704 HydrophobicContact CD2-CB 4.41Å; Y402-L704 HydrophobicContact CD2-CD2 3.48Å; Y402-L704 VanDerWaalsContact CD2-CD2 3.48Å; Y402-L704 HydrophobicContact CD2-CG 3.87Å; Y402-L704 HydrophobicContact CE2-CD2 4.09Å; Y402-L704 HydrophobicContact CG-CD2 4.14Å
403	S	89.1	Confident	88	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-29.2	-179.4	-58.2	0	0	0	0	112.9	G399 I400	G399-S403 VanDerWaalsContact O-CB 3.3Å; G399-S403 WeakPolarHBondContact O-CB 3.27Å; G399-S403 PolarHBondContact O-N 3.19Å; G399-S403 PolarHBondContact O-OG 3.18Å; I400-S403 PolarHBondContact O-N 3.38Å
404	L	90.1	Very high	88	Confident	48 Å²	48	15.6 Å²	15.6	25%	0.251	8%	0.081	S	C	.	.	H	α-helix	trans	-75.2	-52	175	-73.7	169.2	0	0	0	112.1	Y356 I400 M401 Y402 R756 I760	Y356-L404 WeakPolarHBondContact CE2-O 3.31Å; I400-L404 HydrophobicContact CG2-CD1 3.87Å; I400-L404 WeakPolarHBondContact O-CG 3.3Å; I400-L404 PolarHBondContact O-N 3.11Å; M401-L404 PolarHBondContact O-N 3.25Å; Y402-L404 PolarHBondContact O-N 2.96Å; L404-R756 PolarHBondContact O-NH1 3.09Å; L404-I760 HydrophobicContact CD2-CD1 3.56Å; L404-I760 HydrophobicContact CD2-CG1 4.36Å; L404-I760 HydrophobicContact CG-CD1 4.13Å; L404-I760 HydrophobicContact CG-CG1 4.42Å
405	F	91.1	Very high	87.6	Confident	125 Å²	125	16.7 Å²	16.7	55%	0.548	9%	0.088	S	C	.	.	H	α-helix	trans	-101.2	-6.9	-167.9	-61.9	-68.2	0	0	0	115.6	M401 Y402 L704	M401-F405 HydrophobicContact CG-CD2 4.07Å; M401-F405 HydrophobicContact CG-CE2 4.49Å; M401-F405 WeakPolarHBondContact O-CD2 3.29Å; M401-F405 PolarHBondContact O-N 2.94Å; M401-F405 VanDerWaalsContact O-N 3.1Å; Y402-F405 PolarHBondContact O-N 3.38Å; F405-L704 HydrophobicContact CB-CD1 3.88Å; F405-L704 HydrophobicContact CB-CD2 3.79Å
406	A	89.8	Confident	87.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.			trans	-62	142.6	-177.8	0	0	0	0	0	112.5	Y402 D701 L704 R756	Y402-A406 HydrophobicContact CD1-CB 3.94Å; Y402-A406 HydrophobicContact CD2-CB 4.13Å; Y402-A406 HydrophobicContact CE1-CB 3.68Å; Y402-A406 HydrophobicContact CE2-CB 3.92Å; Y402-A406 HydrophobicContact CG-CB 4.15Å; Y402-A406 WeakPolarHBondContact O-CA 2.95Å; Y402-A406 WeakPolarHBondContact O-CB 3.48Å; Y402-A406 PolarHBondContact O-N 3.03Å; A406-D701 WeakPolarHBondContact CA-OD1 3.33Å; A406-D701 WeakPolarHBondContact CB-OD1 3.19Å; A406-L704 HydrophobicContact CB-CD2 4.07Å; A406-L704 VanDerWaalsContact N-CD2 3.33Å; A406-R756 PolarHBondContact O-NH1 3.45Å; A406-R756 PolarHBondContact O-NH2 2.9Å; A406-R756 VanDerWaalsContact O-NH2 3.08Å
407	G	85.8	Confident	86.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-64.3	-39.2	163	0	0	0	0	0	111.5	K352 P409 D701	K352-G407 VanDerWaalsContact CD-O 3.27Å; K352-G407 WeakPolarHBondContact CD-O 3.27Å; K352-G407 WeakPolarHBondContact CE-O 3.18Å; K352-G407 PolarHBondContact NZ-O 3.29Å; G407-P409 WeakPolarHBondContact O-CD 3.4Å; G407-D701 VanDerWaalsContact CA-OD1 3.28Å; G407-D701 WeakPolarHBondContact CA-OD1 3.36Å; G407-D701 PolarHBondContact N-OD1 3.41Å
408	Q	89.2	Confident	85.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.			trans	-115.4	86	172.3	-175.5	51.1	-56.3	0	0	113.4	L410 T411 V682 V685 N686 L692 D701	Q408-L410 HydrophobicContact CG-CB 4.42Å; Q408-L410 PolarHBondContact O-N 2.78Å; Q408-T411 HydrophobicContact CG-CG2 4.04Å; Q408-T411 PolarHBondContact O-N 3.37Å; Q408-T411 VanDerWaalsContact O-N 3.14Å; Q408-T411 PolarHBondContact O-OG1 2.84Å; Q408-V682 HydrophobicContact CB-CG1 4.43Å; Q408-V685 HydrophobicContact CG-CG1 3.82Å; Q408-N686 WeakPolarHBondContact CG-OD1 3.38Å; Q408-N686 PolarHBondContact NE2-OD1 3.49Å; Q408-L692 VanDerWaalsContact NE2-CD1 3.33Å; Q408-D701 WeakPolarHBondContact CB-OD2 3.4Å; Q408-D701 PolarHBondContact N-OD1 3.09Å; Q408-D701 PolarHBondContact N-OD2 3.44Å
409	P	86.4	Confident	85.4	Confident	4 Å²	4	16.9 Å²	16.9	3%	0.026	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.7	-176	29.7	-37.5	0	0	0	114.8	G407 T411 R756	G407-P409 WeakPolarHBondContact O-CD 3.4Å; P409-T411 PolarHBondContact O-N 2.97Å; P409-R756 HydrophobicContact CB-CG 3.7Å; P409-R756 HydrophobicContact CG-CG 3.9Å
410	L	87.2	Confident	84.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21	173.4	-68.3	176.8	0	0	0	113	Q408 V685 L692 H730 V731 L734 V752 E754	Q408-L410 HydrophobicContact CG-CB 4.42Å; Q408-L410 PolarHBondContact O-N 2.78Å; L410-V685 HydrophobicContact CB-CG1 3.82Å; L410-V685 HydrophobicContact CD1-CG1 4.4Å; L410-L692 HydrophobicContact CD1-CD2 3.66Å; L410-H730 PolarHBondContact O-ND1 2.99Å; L410-V731 HydrophobicContact CB-CG2 4.19Å; L410-V731 HydrophobicContact CD1-CG2 4.35Å; L410-L734 HydrophobicContact CD2-CD1 3.56Å; L410-V752 HydrophobicContact CD1-CG1 4.27Å; L410-E754 HydrophobicContact CD1-CG 4.2Å
411	T	89.1	Confident	83.8	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.			trans	-76.9	133.8	178	51.4	0	0	0	0	110.7	Y402 Q408 P409 V682 V685	Y402-T411 WeakPolarHBondContact CE1-O 3.41Å; Y402-T411 WeakPolarHBondContact CE1-OG1 3.39Å; Y402-T411 VanDerWaalsContact CZ-OG1 3.27Å; Y402-T411 PolarHBondContact OH-OG1 3.2Å; Q408-T411 HydrophobicContact CG-CG2 4.04Å; Q408-T411 PolarHBondContact O-N 3.37Å; Q408-T411 VanDerWaalsContact O-N 3.14Å; Q408-T411 PolarHBondContact O-OG1 2.84Å; P409-T411 PolarHBondContact O-N 2.97Å; T411-V682 HydrophobicContact CG2-CG2 4.17Å; T411-V685 HydrophobicContact CG2-CB 3.95Å; T411-V685 HydrophobicContact CG2-CG1 4.16Å; T411-V685 HydrophobicContact CG2-CG2 3.72Å
412	M	87.5	Confident	83.4	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.			trans	-108.7	127.9	-179.1	-66.8	-67.4	-121.5	0	0	109.2	F372 A723 M726 S727 H730 V762 F763	F372-M412 HydrophobicContact CD1-CE 3.79Å; F372-M412 HydrophobicContact CE1-CE 4.07Å; F372-M412 HydrophobicContact CG-CE 4.18Å; M412-A723 PolarHBondContact O-N 3.26Å; M412-M726 HydrophobicContact CB-CB 4.13Å; M412-S727 PolarHBondContact N-OG 2.98Å; M412-H730 HydrophobicContact CG-CB 4.23Å; M412-V762 HydrophobicContact CE-CB 3.88Å; M412-V762 HydrophobicContact CE-CG1 3.66Å; M412-V762 HydrophobicContact CE-CG2 4.09Å; M412-F763 HydrophobicContact SD-CE2 3.95Å; M412-F763 HydrophobicContact SD-CZ 4.34Å
413	I	88.3	Confident	82.8	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	139.1	175.8	-47.6	-167.8	0	0	0	110.7	Y402 F720 V721 F763	Y402-I413 HydrophobicContact CD1-CD1 3.83Å; Y402-I413 HydrophobicContact CD1-CG1 3.6Å; Y402-I413 HydrophobicContact CD2-CD1 3.41Å; Y402-I413 VanDerWaalsContact CD2-CD1 3.41Å; Y402-I413 HydrophobicContact CD2-CG1 4.06Å; Y402-I413 HydrophobicContact CE1-CD1 4.48Å; Y402-I413 HydrophobicContact CE1-CG1 4.07Å; Y402-I413 HydrophobicContact CE2-CD1 4.11Å; Y402-I413 HydrophobicContact CE2-CG1 4.48Å; Y402-I413 HydrophobicContact CG-CD1 3.22Å; Y402-I413 HydrophobicContact CG-CG1 3.58Å; I413-F720 HydrophobicContact CG2-CB 3.42Å; I413-F720 VanDerWaalsContact CG2-CB 3.42Å; I413-F720 HydrophobicContact CG2-CD1 4.46Å; I413-F720 HydrophobicContact CG2-CG 4.46Å; I413-F720 VanDerWaalsContact CG2-O 3.28Å; I413-F720 WeakPolarHBondContact CG2-O 3.26Å; I413-V721 WeakPolarHBondContact CA-O 3.37Å; I413-V721 VanDerWaalsContact CG2-O 3.24Å; I413-V721 WeakPolarHBondContact CG2-O 3.45Å; I413-F763 WeakPolarHBondContact O-CZ 3.4Å
414	G	83	Confident	82.1	Confident	9 Å²	9	21.9 Å²	21.9	9%	0.093	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	175.1	172.5	0	0	0	0	0	112.1	T416 V721	G414-T416 PolarHBondContact O-N 2.9Å; G414-V721 PolarHBondContact N-O 3.09Å; G414-V721 PolarHBondContact O-N 3.39Å
415	S	75.7	Confident	81.7	Confident	23 Å²	23	21 Å²	21	16%	0.161	12%	0.115	C	C	.	.			trans	-73.8	124.8	167.9	-176.9	0	0	0	0	109
416	T	76.1	Confident	81.3	Confident	17 Å²	17	15.8 Å²	15.8	10%	0.104	9%	0.093	C	C	.	.			trans	-103.1	146.9	178.2	66.6	0	0	0	0	110.9	G414 V419 L420 V721	G414-T416 PolarHBondContact O-N 2.9Å; T416-V419 PolarHBondContact O-N 3.22Å; T416-V419 WeakPolarHBondContact OG1-CG2 3.39Å; T416-L420 PolarHBondContact O-N 3.3Å; T416-L420 VanDerWaalsContact O-N 3.07Å; T416-V721 HydrophobicContact CG2-CB 4.16Å
417	G	72.6	Confident	81.1	Confident	25 Å²	25	18.7 Å²	18.7	26%	0.258	11%	0.106	S	C	.	.	H	α-helix	trans	-51.5	-47.1	179.7	0	0	0	0	0	114.1	V419 L420 I421	G417-V419 PolarHBondContact O-N 2.87Å; G417-L420 WeakPolarHBondContact O-CB 3.47Å; G417-L420 PolarHBondContact O-N 3.19Å; G417-I421 VanDerWaalsContact O-CG1 3.26Å; G417-I421 WeakPolarHBondContact O-CG1 3.47Å; G417-I421 PolarHBondContact O-N 3.01Å
418	P	71.6	Confident	80.7	Confident	26 Å²	26	20.6 Å²	20.6	17%	0.169	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-41.6	179.6	-26.7	36	0	0	0	114.4	I421 F422	P418-I421 PolarHBondContact O-N 3.39Å; P418-F422 PolarHBondContact O-N 2.98Å
419	V	78.2	Confident	80.5	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-43.1	177.9	175	0	0	0	0	110	T416 G417 I421 F422 E423 L674 I719 V721	T416-V419 PolarHBondContact O-N 3.22Å; T416-V419 WeakPolarHBondContact OG1-CG2 3.39Å; G417-V419 PolarHBondContact O-N 2.87Å; V419-I421 VanDerWaalsContact C-N 3.32Å; V419-I421 PolarHBondContact O-N 2.9Å; V419-F422 WeakPolarHBondContact O-CB 3.42Å; V419-F422 PolarHBondContact O-N 2.79Å; V419-F422 VanDerWaalsContact O-N 3.15Å; V419-E423 WeakPolarHBondContact O-CG 3.49Å; V419-E423 PolarHBondContact O-N 3.3Å; V419-L674 HydrophobicContact CG2-CD2 4.3Å; V419-I719 HydrophobicContact CG1-CB 4.12Å; V419-V721 HydrophobicContact CG2-CG2 3.78Å
420	L	73.7	Confident	80.5	Confident	47 Å²	47	25.2 Å²	25.2	25%	0.246	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-41.6	177.5	-167.1	69.1	0	0	0	112.5	T416 G417 E423 K424	T416-L420 PolarHBondContact O-N 3.3Å; T416-L420 VanDerWaalsContact O-N 3.07Å; G417-L420 WeakPolarHBondContact O-CB 3.47Å; G417-L420 PolarHBondContact O-N 3.19Å; L420-E423 PolarHBondContact O-N 3.23Å; L420-K424 WeakPolarHBondContact O-CB 3.4Å; L420-K424 PolarHBondContact O-N 3.22Å
421	I	72	Confident	80.2	Confident	43 Å²	43	31.4 Å²	31.4	22%	0.221	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-38.4	177.2	-65.5	166.9	0	0	0	110.6	G417 P418 V419 K424 V425 F795 A804	G417-I421 VanDerWaalsContact O-CG1 3.26Å; G417-I421 WeakPolarHBondContact O-CG1 3.47Å; G417-I421 PolarHBondContact O-N 3.01Å; P418-I421 PolarHBondContact O-N 3.39Å; V419-I421 VanDerWaalsContact C-N 3.32Å; V419-I421 PolarHBondContact O-N 2.9Å; I421-K424 PolarHBondContact O-N 3.34Å; I421-V425 WeakPolarHBondContact O-CG2 3.45Å; I421-V425 PolarHBondContact O-N 3.12Å; I421-F795 HydrophobicContact CG1-CZ 4.49Å; I421-A804 HydrophobicContact CD1-CB 3.67Å; I421-A804 HydrophobicContact CG2-CB 4.16Å
422	F	81.6	Confident	80.1	Confident	15 Å²	15	39.3 Å²	39.3	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-50.4	173.9	172.7	-92.9	0	0	0	111.2	P418 V419 K424 V425 V426 I444 P666 L669 L670	P418-F422 PolarHBondContact O-N 2.98Å; V419-F422 WeakPolarHBondContact O-CB 3.42Å; V419-F422 PolarHBondContact O-N 2.79Å; V419-F422 VanDerWaalsContact O-N 3.15Å; F422-K424 VanDerWaalsContact C-N 3.29Å; F422-K424 PolarHBondContact O-N 2.99Å; F422-V425 PolarHBondContact O-N 3.09Å; F422-V425 VanDerWaalsContact O-N 3.11Å; F422-V426 HydrophobicContact CD1-CG2 4.27Å; F422-V426 HydrophobicContact CE1-CG2 3.81Å; F422-V426 HydrophobicContact CE2-CG2 4.17Å; F422-V426 HydrophobicContact CZ-CG2 3.75Å; F422-V426 WeakPolarHBondContact O-CG2 3.34Å; F422-V426 PolarHBondContact O-N 3.38Å; F422-I444 HydrophobicContact CE1-CG2 4.19Å; F422-I444 HydrophobicContact CZ-CG2 4.19Å; F422-P666 HydrophobicContact CE2-CB 4.28Å; F422-P666 WeakPolarHBondContact CE2-O 3.34Å; F422-P666 HydrophobicContact CZ-CB 3.9Å; F422-P666 VanDerWaalsContact CZ-O 3.3Å; F422-P666 WeakPolarHBondContact CZ-O 3.41Å; F422-L669 HydrophobicContact CD2-CD2 4.17Å; F422-L669 HydrophobicContact CE2-CB 4.49Å; F422-L669 HydrophobicContact CE2-CD2 4.12Å; F422-L669 HydrophobicContact CE2-CG 4.45Å; F422-L670 HydrophobicContact CD1-CD1 3.95Å; F422-L670 HydrophobicContact CE1-CB 3.94Å; F422-L670 HydrophobicContact CE1-CD1 4.05Å; F422-L670 HydrophobicContact CE1-CD2 3.96Å; F422-L670 HydrophobicContact CE1-CG 4.2Å; F422-L670 HydrophobicContact CE2-CB 4.28Å; F422-L670 HydrophobicContact CZ-CB 3.8Å; F422-L670 HydrophobicContact CZ-CD2 4.5Å
423	E	81.7	Confident	80	Confident	28 Å²	28	42.1 Å²	42.1	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-40.3	178	-69.4	-171.1	163.2	0	0	112	V419 L420 V425 V426 F427 R441 I719	V419-E423 WeakPolarHBondContact O-CG 3.49Å; V419-E423 PolarHBondContact O-N 3.3Å; L420-E423 PolarHBondContact O-N 3.23Å; E423-V425 PolarHBondContact O-N 3.5Å; E423-V426 PolarHBondContact O-N 2.9Å; E423-F427 WeakPolarHBondContact O-CB 3.39Å; E423-F427 PolarHBondContact O-N 2.89Å; E423-R441 IonicContact OE1-CZ 2.71Å; E423-R441 IonicContact OE1-NE 2.69Å; E423-R441 IonicContact OE1-NH2 3.9Å; E423-R441 PolarHBondContact OE1-NH2 2.79Å; E423-R441 IonicContact OE2-NH2 3.32Å; E423-R441 PolarHBondContact OE2-NH2 2.76Å; E423-I719 PolarHBondContact OE1-N 2.86Å
424	K	74.4	Confident	79.7	Confident	48 Å²	48	45.4 Å²	45.4	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175	-176.5	173.9	-178.4	171.9	0	112.6	L420 I421 F422 F427 D428 F795	L420-K424 WeakPolarHBondContact O-CB 3.4Å; L420-K424 PolarHBondContact O-N 3.22Å; I421-K424 PolarHBondContact O-N 3.34Å; F422-K424 VanDerWaalsContact C-N 3.29Å; F422-K424 PolarHBondContact O-N 2.99Å; K424-F427 PolarHBondContact O-N 3.32Å; K424-D428 PolarHBondContact O-N 3.21Å; K424-F795 HydrophobicContact CD-CD2 4.48Å; K424-F795 HydrophobicContact CD-CE2 4.3Å
425	V	80.4	Confident	79.6	Confident	30 Å²	30	46.9 Å²	46.9	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-41.8	177.6	170.1	0	0	0	0	110.8	I421 F422 E423 F427 D428 I429	I421-V425 WeakPolarHBondContact O-CG2 3.45Å; I421-V425 PolarHBondContact O-N 3.12Å; F422-V425 PolarHBondContact O-N 3.09Å; F422-V425 VanDerWaalsContact O-N 3.11Å; E423-V425 PolarHBondContact O-N 3.5Å; V425-F427 VanDerWaalsContact C-N 3.31Å; V425-F427 PolarHBondContact O-N 3.05Å; V425-D428 PolarHBondContact O-N 2.86Å; V425-I429 HydrophobicContact CG1-CD1 3.81Å; V425-I429 VanDerWaalsContact O-CG1 3.26Å; V425-I429 WeakPolarHBondContact O-CG1 3.1Å; V425-I429 PolarHBondContact O-N 3.24Å
426	V	84.1	Confident	79.8	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.085	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-42.9	174.7	174	0	0	0	0	110.4	F422 E423 I429 C430 F437 V440 I444	F422-V426 HydrophobicContact CD1-CG2 4.27Å; F422-V426 HydrophobicContact CE1-CG2 3.81Å; F422-V426 HydrophobicContact CE2-CG2 4.17Å; F422-V426 HydrophobicContact CZ-CG2 3.75Å; F422-V426 WeakPolarHBondContact O-CG2 3.34Å; F422-V426 PolarHBondContact O-N 3.38Å; E423-V426 PolarHBondContact O-N 2.9Å; V426-I429 PolarHBondContact O-N 3.29Å; V426-C430 WeakPolarHBondContact O-CB 3.47Å; V426-C430 PolarHBondContact O-N 3.2Å; V426-C430 PolarHBondContact O-SG 3.21Å; V426-F437 HydrophobicContact CG1-CD2 4.3Å; V426-F437 HydrophobicContact CG1-CE2 4.1Å; V426-V440 HydrophobicContact CG1-CG1 4.26Å; V426-I444 HydrophobicContact CG1-CD1 3.78Å; V426-I444 HydrophobicContact CG2-CD1 4.15Å
427	F	83.9	Confident	80.2	Confident	62 Å²	62	49.2 Å²	49.2	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-47.2	175.9	-178.8	-96.4	0	0	0	112.5	E423 K424 V425 I429 C430 K431 F437	E423-F427 WeakPolarHBondContact O-CB 3.39Å; E423-F427 PolarHBondContact O-N 2.89Å; K424-F427 PolarHBondContact O-N 3.32Å; V425-F427 VanDerWaalsContact C-N 3.31Å; V425-F427 PolarHBondContact O-N 3.05Å; F427-I429 VanDerWaalsContact C-N 3.32Å; F427-I429 PolarHBondContact O-N 3.16Å; F427-C430 PolarHBondContact O-N 3.19Å; F427-K431 WeakPolarHBondContact O-CB 3.44Å; F427-K431 PolarHBondContact O-N 3.28Å; F427-F437 HydrophobicContact CB-CD2 3.98Å; F427-F437 HydrophobicContact CB-CE2 3.8Å; F427-F437 HydrophobicContact CB-CZ 4.44Å; F427-F437 HydrophobicContact CD2-CB 4.26Å; F427-F437 HydrophobicContact CD2-CD1 4.07Å; F427-F437 AromaticContact CD2-CD2 3.87Å; F427-F437 HydrophobicContact CD2-CD2 3.87Å; F427-F437 HydrophobicContact CD2-CE1 4.4Å; F427-F437 HydrophobicContact CD2-CE2 4.2Å; F427-F437 AromaticContact CD2-CG 3.79Å; F427-F437 HydrophobicContact CD2-CG 3.79Å; F427-F437 HydrophobicContact CD2-CZ 4.45Å; F427-F437 HydrophobicContact CG-CD2 4.43Å
428	D	78.7	Confident	80.8	Confident	40 Å²	40	49.7 Å²	49.7	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-43.3	176.9	-76.5	-6.8	0	0	0	111.3	K424 V425 K431 Q432 R801	K424-D428 PolarHBondContact O-N 3.21Å; V425-D428 PolarHBondContact O-N 2.86Å; D428-K431 PolarHBondContact O-N 2.71Å; D428-Q432 WeakPolarHBondContact O-CG 3.44Å; D428-Q432 PolarHBondContact O-N 3.46Å; D428-R801 IonicContact OD2-CZ 3.33Å; D428-R801 IonicContact OD2-NH2 3.68Å; D428-R801 PolarHBondContact OD2-NH2 3.42Å
429	I	83.6	Confident	81.5	Confident	95 Å²	95	48.9 Å²	48.9	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-66.6	-44.9	178.1	-67.4	166.3	0	0	0	110.7	V425 V426 F427 K431 Q432 A433	V425-I429 HydrophobicContact CG1-CD1 3.81Å; V425-I429 VanDerWaalsContact O-CG1 3.26Å; V425-I429 WeakPolarHBondContact O-CG1 3.1Å; V425-I429 PolarHBondContact O-N 3.24Å; V426-I429 PolarHBondContact O-N 3.29Å; F427-I429 VanDerWaalsContact C-N 3.32Å; F427-I429 PolarHBondContact O-N 3.16Å; I429-K431 VanDerWaalsContact C-N 3.3Å; I429-K431 PolarHBondContact O-N 2.85Å; I429-Q432 PolarHBondContact O-N 3.16Å; I429-A433 WeakPolarHBondContact O-CB 3.34Å; I429-A433 PolarHBondContact O-N 3.38Å
430	C	86.4	Confident	82	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-39.9	177.8	-66.9	0	0	0	0	111.3	V426 F427 A433 G434 L435 F437	V426-C430 WeakPolarHBondContact O-CB 3.47Å; V426-C430 PolarHBondContact O-N 3.2Å; V426-C430 PolarHBondContact O-SG 3.21Å; F427-C430 PolarHBondContact O-N 3.19Å; C430-A433 PolarHBondContact O-N 2.9Å; C430-G434 PolarHBondContact O-N 3.31Å; C430-L435 PolarHBondContact O-N 3.09Å; C430-F437 HydrophobicContact CB-CB 4.17Å; C430-F437 HydrophobicContact CB-CD2 4.45Å
431	K	82.5	Confident	82.7	Confident	129 Å²	129	48.3 Å²	48.3	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-64.3	-40.2	176.6	-172.2	177.7	-179.7	179.9	0	111.9	F427 D428 I429	F427-K431 WeakPolarHBondContact O-CB 3.44Å; F427-K431 PolarHBondContact O-N 3.28Å; D428-K431 PolarHBondContact O-N 2.71Å; I429-K431 VanDerWaalsContact C-N 3.3Å; I429-K431 PolarHBondContact O-N 2.85Å
432	Q	86.6	Confident	83.7	Confident	167 Å²	167	47 Å²	47	78%	0.78	26%	0.264	S	S	*	.	H	α-helix	trans	-69.9	-35.2	176.3	-72.2	173.2	10.2	0	0	112.6	D428 I429	D428-Q432 WeakPolarHBondContact O-CG 3.44Å; D428-Q432 PolarHBondContact O-N 3.46Å; I429-Q432 PolarHBondContact O-N 3.16Å
433	A	85.8	Confident	84.2	Confident	59 Å²	59	47.7 Å²	47.7	49%	0.488	27%	0.267	S	S	.	.	H	α-helix	trans	-84.9	-5.7	179.5	0	0	0	0	0	114.1	I429 C430 L435	I429-A433 WeakPolarHBondContact O-CB 3.34Å; I429-A433 PolarHBondContact O-N 3.38Å; C430-A433 PolarHBondContact O-N 2.9Å; A433-L435 VanDerWaalsContact C-N 3.25Å; A433-L435 HydrophobicContact CB-CD1 3.95Å; A433-L435 HydrophobicContact CB-CG 3.95Å; A433-L435 PolarHBondContact O-N 3.3Å
434	G	81.3	Confident	84.7	Confident	70 Å²	70	46.7 Å²	46.7	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	22.4	-174.9	0	0	0	0	0	114.2	C430	C430-G434 PolarHBondContact O-N 3.31Å
435	L	80	Confident	85.6	Confident	39 Å²	39	44.5 Å²	44.5	20%	0.204	25%	0.252	C	S	.	.			trans	-91.4	145.5	-177.2	-63.7	172.6	0	0	0	112.3	C430 A433 F437 V440 W658 I659 L662	C430-L435 PolarHBondContact O-N 3.09Å; A433-L435 VanDerWaalsContact C-N 3.25Å; A433-L435 HydrophobicContact CB-CD1 3.95Å; A433-L435 HydrophobicContact CB-CG 3.95Å; A433-L435 PolarHBondContact O-N 3.3Å; L435-F437 PolarHBondContact O-N 3.36Å; L435-V440 HydrophobicContact CB-CG2 4.26Å; L435-W658 HydrophobicContact CD1-CH2 3.78Å; L435-W658 HydrophobicContact CD1-CZ3 4.14Å; L435-W658 HydrophobicContact CD2-CH2 3.3Å; L435-W658 HydrophobicContact CD2-CZ2 3.57Å; L435-W658 HydrophobicContact CD2-CZ3 4.35Å; L435-W658 HydrophobicContact CG-CH2 4.12Å; L435-I659 HydrophobicContact CD2-CD1 4.26Å; L435-L662 HydrophobicContact CD1-CD2 4.05Å
436	G	81.3	Confident	86.3	Confident	41 Å²	41	46.3 Å²	46.3	42%	0.423	26%	0.258	S	S	.	.			trans	-61.2	99	170.6	0	0	0	0	0	111	L438 S439 V440	G436-L438 PolarHBondContact O-N 3.06Å; G436-S439 PolarHBondContact O-N 3.25Å; G436-S439 VanDerWaalsContact O-N 3.15Å; G436-V440 PolarHBondContact O-N 3.32Å
437	F	84.5	Confident	86.8	Confident	48 Å²	48	48.7 Å²	48.7	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-49.7	-38.1	-178.7	167.2	-106.6	0	0	0	112.6	V426 F427 C430 L435 V440 R441	V426-F437 HydrophobicContact CG1-CD2 4.3Å; V426-F437 HydrophobicContact CG1-CE2 4.1Å; F427-F437 HydrophobicContact CB-CD2 3.98Å; F427-F437 HydrophobicContact CB-CE2 3.8Å; F427-F437 HydrophobicContact CB-CZ 4.44Å; F427-F437 HydrophobicContact CD2-CB 4.26Å; F427-F437 HydrophobicContact CD2-CD1 4.07Å; F427-F437 AromaticContact CD2-CD2 3.87Å; F427-F437 HydrophobicContact CD2-CD2 3.87Å; F427-F437 HydrophobicContact CD2-CE1 4.4Å; F427-F437 HydrophobicContact CD2-CE2 4.2Å; F427-F437 AromaticContact CD2-CG 3.79Å; F427-F437 HydrophobicContact CD2-CG 3.79Å; F427-F437 HydrophobicContact CD2-CZ 4.45Å; F427-F437 HydrophobicContact CG-CD2 4.43Å; C430-F437 HydrophobicContact CB-CB 4.17Å; C430-F437 HydrophobicContact CB-CD2 4.45Å; L435-F437 PolarHBondContact O-N 3.36Å; F437-V440 PolarHBondContact O-N 3.3Å; F437-R441 WeakPolarHBondContact O-CB 3.47Å; F437-R441 PolarHBondContact O-N 2.94Å
438	L	84.2	Confident	87.2	Confident	35 Å²	35	45.8 Å²	45.8	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-42	-175.5	-167.8	63.7	0	0	0	113.3	G436 R441 F442 R644 V648	G436-L438 PolarHBondContact O-N 3.06Å; L438-R441 WeakPolarHBondContact O-CB 2.98Å; L438-R441 PolarHBondContact O-N 3.5Å; L438-F442 PolarHBondContact O-N 3.39Å; L438-R644 VanDerWaalsContact CD1-CZ 3.45Å; L438-R644 VanDerWaalsContact CD1-NH1 3.34Å; L438-R644 VanDerWaalsContact CD1-NH2 3.34Å; L438-R644 VanDerWaalsContact CD2-NE 3.3Å; L438-V648 HydrophobicContact CB-CG1 4.48Å; L438-V648 HydrophobicContact CD1-CG2 3.65Å; L438-V648 HydrophobicContact CD2-CB 4.27Å; L438-V648 HydrophobicContact CD2-CG1 3.97Å; L438-V648 HydrophobicContact CD2-CG2 3.76Å; L438-V648 HydrophobicContact CG-CB 4.15Å; L438-V648 HydrophobicContact CG-CG1 3.61Å; L438-V648 HydrophobicContact CG-CG2 3.53Å
439	S	87.3	Confident	88	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-39.3	177	-53.6	0	0	0	0	110.8	G436 R441 F442 W443 N649 P652	G436-S439 PolarHBondContact O-N 3.25Å; G436-S439 VanDerWaalsContact O-N 3.15Å; S439-R441 VanDerWaalsContact C-N 3.33Å; S439-R441 PolarHBondContact O-N 3.39Å; S439-F442 WeakPolarHBondContact O-CB 3.34Å; S439-F442 PolarHBondContact O-N 2.97Å; S439-W443 VanDerWaalsContact O-CD1 3.22Å; S439-W443 PolarHBondContact O-N 2.88Å; S439-N649 PolarHBondContact OG-O 2.73Å; S439-N649 VanDerWaalsContact OG-O 3.11Å; S439-P652 WeakPolarHBondContact OG-CD 3.48Å
440	V	88.6	Confident	88.6	Confident	11 Å²	11	43 Å²	43	7%	0.067	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-43.6	172.7	176.7	0	0	0	0	110.7	V426 L435 G436 F437 F442 W443 I444 I659	V426-V440 HydrophobicContact CG1-CG1 4.26Å; L435-V440 HydrophobicContact CB-CG2 4.26Å; G436-V440 PolarHBondContact O-N 3.32Å; F437-V440 PolarHBondContact O-N 3.3Å; V440-F442 VanDerWaalsContact C-N 3.34Å; V440-F442 PolarHBondContact O-N 3.5Å; V440-W443 PolarHBondContact O-N 3.16Å; V440-I444 HydrophobicContact CG1-CD1 3.73Å; V440-I444 HydrophobicContact CG1-CG1 4.3Å; V440-I444 VanDerWaalsContact O-CG1 3.29Å; V440-I444 WeakPolarHBondContact O-CG1 3.29Å; V440-I444 PolarHBondContact O-N 2.7Å; V440-I659 HydrophobicContact CG2-CD1 4.16Å; V440-I659 HydrophobicContact CG2-CG2 4.02Å
441	R	88.9	Confident	88.9	Confident	26 Å²	26	44.3 Å²	44.3	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-43	176.1	-172.9	-172.3	-159.5	149.3	25.8	112.3	E423 F437 L438 S439 I444 N445 G716 L717	E423-R441 IonicContact OE1-CZ 2.71Å; E423-R441 IonicContact OE1-NE 2.69Å; E423-R441 IonicContact OE1-NH2 3.9Å; E423-R441 PolarHBondContact OE1-NH2 2.79Å; E423-R441 IonicContact OE2-NH2 3.32Å; E423-R441 PolarHBondContact OE2-NH2 2.76Å; F437-R441 WeakPolarHBondContact O-CB 3.47Å; F437-R441 PolarHBondContact O-N 2.94Å; L438-R441 WeakPolarHBondContact O-CB 2.98Å; L438-R441 PolarHBondContact O-N 3.5Å; S439-R441 VanDerWaalsContact C-N 3.33Å; S439-R441 PolarHBondContact O-N 3.39Å; R441-I444 PolarHBondContact O-N 3.42Å; R441-N445 WeakPolarHBondContact O-CB 3.31Å; R441-N445 PolarHBondContact O-N 3.16Å; R441-N445 PolarHBondContact O-ND2 2.85Å; R441-G716 PolarHBondContact NH1-O 2.95Å; R441-L717 PolarHBondContact NE-O 3.07Å; R441-L717 VanDerWaalsContact NE-O 3.17Å
442	F	91.4	Very high	89.4	Confident	14 Å²	14	38.2 Å²	38.2	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-51.1	176.1	172.5	-91.4	0	0	0	111.3	L438 S439 V440 I444 N445 F446 V648 P650 G713 F714	L438-F442 PolarHBondContact O-N 3.39Å; S439-F442 WeakPolarHBondContact O-CB 3.34Å; S439-F442 PolarHBondContact O-N 2.97Å; V440-F442 VanDerWaalsContact C-N 3.34Å; V440-F442 PolarHBondContact O-N 3.5Å; F442-I444 PolarHBondContact O-N 3Å; F442-N445 PolarHBondContact O-N 2.9Å; F442-F446 WeakPolarHBondContact O-CB 3.42Å; F442-F446 PolarHBondContact O-N 3.09Å; F442-V648 HydrophobicContact CB-CG1 4.09Å; F442-P650 HydrophobicContact CD1-CB 3.62Å; F442-P650 HydrophobicContact CE1-CB 3.48Å; F442-P650 VanDerWaalsContact CE1-CB 3.48Å; F442-P650 HydrophobicContact CG-CB 4.27Å; F442-P650 HydrophobicContact CZ-CB 4.02Å; F442-G713 WeakPolarHBondContact CD2-O 3.46Å; F442-F714 AromaticContact CE2-CD1 3.64Å; F442-F714 HydrophobicContact CE2-CD1 3.64Å; F442-F714 AromaticContact CE2-CE1 3.7Å; F442-F714 HydrophobicContact CE2-CE1 3.7Å; F442-F714 HydrophobicContact CE2-CG 4.09Å; F442-F714 HydrophobicContact CE2-CZ 4.21Å; F442-F714 HydrophobicContact CZ-CD1 4.44Å; F442-F714 HydrophobicContact CZ-CE1 4.06Å; F442-F714 HydrophobicContact CZ-CZ 4.41Å
443	W	92.6	Very high	89.8	Confident	31 Å²	31	33 Å²	33	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-37.7	-178.8	-73.5	107.2	0	0	0	113	S439 V440 N445 F446 W447 P650 L651 I659 I660	S439-W443 VanDerWaalsContact O-CD1 3.22Å; S439-W443 PolarHBondContact O-N 2.88Å; V440-W443 PolarHBondContact O-N 3.16Å; W443-N445 VanDerWaalsContact C-N 3.34Å; W443-N445 PolarHBondContact O-N 3.15Å; W443-F446 HydrophobicContact CE3-CD1 4.13Å; W443-F446 HydrophobicContact CZ3-CD1 4.01Å; W443-F446 HydrophobicContact CZ3-CE1 4.34Å; W443-F446 PolarHBondContact O-N 3.3Å; W443-W447 PolarHBondContact O-N 2.64Å; W443-P650 HydrophobicContact CZ2-CB 4.41Å; W443-P650 PolarHBondContact NE1-O 3.44Å; W443-L651 HydrophobicContact CZ2-CD2 4.44Å; W443-L651 HydrophobicContact CZ2-CG 4.45Å; W443-I659 HydrophobicContact CG-CG2 4.3Å; W443-I660 HydrophobicContact CD2-CB 4.34Å; W443-I660 HydrophobicContact CD2-CG1 3.97Å; W443-I660 HydrophobicContact CD2-CG2 4.42Å; W443-I660 HydrophobicContact CE3-CB 4.28Å; W443-I660 HydrophobicContact CE3-CG1 4.17Å; W443-I660 HydrophobicContact CE3-CG2 3.86Å; W443-I660 HydrophobicContact CH2-CB 4.46Å; W443-I660 HydrophobicContact CH2-CD1 3.8Å; W443-I660 HydrophobicContact CH2-CG1 3.68Å; W443-I660 HydrophobicContact CH2-CG2 4.12Å; W443-I660 HydrophobicContact CZ2-CD1 3.79Å; W443-I660 HydrophobicContact CZ2-CG1 3.46Å; W443-I660 VanDerWaalsContact CZ2-CG1 3.46Å; W443-I660 HydrophobicContact CZ3-CB 4.33Å; W443-I660 HydrophobicContact CZ3-CD1 4.45Å; W443-I660 HydrophobicContact CZ3-CG1 4.03Å; W443-I660 HydrophobicContact CZ3-CG2 3.69Å
444	I	92.7	Very high	90.1	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45.2	173.7	-66.2	168.3	0	0	0	110.6	F422 V426 V440 R441 F442 S448 P666 A667 L670	F422-I444 HydrophobicContact CE1-CG2 4.19Å; F422-I444 HydrophobicContact CZ-CG2 4.19Å; V426-I444 HydrophobicContact CG1-CD1 3.78Å; V426-I444 HydrophobicContact CG2-CD1 4.15Å; V440-I444 HydrophobicContact CG1-CD1 3.73Å; V440-I444 HydrophobicContact CG1-CG1 4.3Å; V440-I444 VanDerWaalsContact O-CG1 3.29Å; V440-I444 WeakPolarHBondContact O-CG1 3.29Å; V440-I444 PolarHBondContact O-N 2.7Å; R441-I444 PolarHBondContact O-N 3.42Å; F442-I444 PolarHBondContact O-N 3Å; I444-S448 WeakPolarHBondContact O-CB 3.01Å; I444-S448 PolarHBondContact O-N 2.86Å; I444-S448 PolarHBondContact O-OG 3.23Å; I444-P666 HydrophobicContact CD1-CB 3.88Å; I444-P666 HydrophobicContact CD1-CG 4.41Å; I444-P666 HydrophobicContact CG1-CB 4.05Å; I444-A667 HydrophobicContact CG2-CB 4.25Å; I444-A667 WeakPolarHBondContact O-CB 3.47Å; I444-L670 HydrophobicContact CG2-CD2 3.63Å
445	N	93.4	Very high	90.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-39.8	178.3	-88	-36.1	0	0	0	113	R441 F442 W443 S448 F449 C709 I719	R441-N445 WeakPolarHBondContact O-CB 3.31Å; R441-N445 PolarHBondContact O-N 3.16Å; R441-N445 PolarHBondContact O-ND2 2.85Å; F442-N445 PolarHBondContact O-N 2.9Å; W443-N445 VanDerWaalsContact C-N 3.34Å; W443-N445 PolarHBondContact O-N 3.15Å; N445-S448 WeakPolarHBondContact O-CB 3.42Å; N445-S448 PolarHBondContact O-N 3.08Å; N445-F449 PolarHBondContact O-N 3.44Å; N445-C709 WeakPolarHBondContact CB-O 2.82Å; N445-I719 WeakPolarHBondContact OD1-CD1 3.27Å; N445-I719 WeakPolarHBondContact OD1-CG1 3.46Å
446	F	93.8	Very high	91.1	Very high	68 Å²	68	30.9 Å²	30.9	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-63.1	-48.1	176.8	-177.9	-97.6	0	0	0	111.8	F442 W443 S448 F449 V450 L710	F442-F446 WeakPolarHBondContact O-CB 3.42Å; F442-F446 PolarHBondContact O-N 3.09Å; W443-F446 HydrophobicContact CE3-CD1 4.13Å; W443-F446 HydrophobicContact CZ3-CD1 4.01Å; W443-F446 HydrophobicContact CZ3-CE1 4.34Å; W443-F446 PolarHBondContact O-N 3.3Å; F446-S448 VanDerWaalsContact C-N 3.28Å; F446-S448 PolarHBondContact O-N 3Å; F446-F449 WeakPolarHBondContact O-CB 3.46Å; F446-F449 PolarHBondContact O-N 3.06Å; F446-V450 HydrophobicContact CE1-CG2 4.18Å; F446-V450 HydrophobicContact CZ-CG2 4.41Å; F446-V450 PolarHBondContact O-N 3.45Å; F446-V450 VanDerWaalsContact O-N 3.11Å; F446-L710 HydrophobicContact CD2-CD1 4.02Å
447	W	95.1	Very high	91.5	Very high	65 Å²	65	29.5 Å²	29.5	25%	0.246	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-35.4	174.2	-74.4	118.7	0	0	0	112.2	W443 F449 V450 I451 I660 L664 A667	W443-W447 PolarHBondContact O-N 2.64Å; W447-F449 PolarHBondContact O-N 3.05Å; W447-V450 PolarHBondContact O-N 3.27Å; W447-I451 VanDerWaalsContact O-CG1 3.24Å; W447-I451 WeakPolarHBondContact O-CG1 3.46Å; W447-I451 PolarHBondContact O-N 3.1Å; W447-I660 HydrophobicContact CZ2-CG2 4.08Å; W447-I660 PolarHBondContact NE1-O 3.37Å; W447-L664 HydrophobicContact CB-CD1 4.31Å; W447-L664 HydrophobicContact CD2-CB 4.49Å; W447-L664 HydrophobicContact CD2-CD1 3.88Å; W447-L664 HydrophobicContact CE3-CD1 3.81Å; W447-L664 HydrophobicContact CG-CB 4.43Å; W447-L664 HydrophobicContact CG-CD1 4.11Å; W447-L664 HydrophobicContact CZ3-CD1 4.43Å; W447-A667 HydrophobicContact CB-CB 3.44Å; W447-A667 VanDerWaalsContact CB-CB 3.44Å
448	S	93.5	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-40.5	174.6	-58.6	0	0	0	0	111.9	I444 N445 F446 I451 L452 L670	I444-S448 WeakPolarHBondContact O-CB 3.01Å; I444-S448 PolarHBondContact O-N 2.86Å; I444-S448 PolarHBondContact O-OG 3.23Å; N445-S448 WeakPolarHBondContact O-CB 3.42Å; N445-S448 PolarHBondContact O-N 3.08Å; F446-S448 VanDerWaalsContact C-N 3.28Å; F446-S448 PolarHBondContact O-N 3Å; S448-I451 PolarHBondContact O-N 3.27Å; S448-L452 VanDerWaalsContact O-CB 3.3Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 WeakPolarHBondContact O-CG 3.49Å; S448-L452 PolarHBondContact O-N 2.81Å; S448-L670 WeakPolarHBondContact OG-CD2 3.28Å
449	F	95	Very high	91.7	Very high	32 Å²	32	28.5 Å²	28.5	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-47.4	172.4	163.9	-105.6	0	0	0	111.7	N445 F446 W447 L452 L453 A706 F707 L710	N445-F449 PolarHBondContact O-N 3.44Å; F446-F449 WeakPolarHBondContact O-CB 3.46Å; F446-F449 PolarHBondContact O-N 3.06Å; W447-F449 PolarHBondContact O-N 3.05Å; F449-L452 PolarHBondContact O-N 2.83Å; F449-L453 HydrophobicContact CE1-CD1 4.4Å; F449-L453 HydrophobicContact CE2-CD1 4.16Å; F449-L453 HydrophobicContact CZ-CD1 3.8Å; F449-L453 VanDerWaalsContact O-CB 3.32Å; F449-L453 WeakPolarHBondContact O-CB 3.28Å; F449-L453 PolarHBondContact O-N 3.5Å; F449-A706 HydrophobicContact CD2-CB 3.81Å; F449-A706 VanDerWaalsContact CD2-O 3.29Å; F449-A706 WeakPolarHBondContact CD2-O 3.48Å; F449-A706 HydrophobicContact CE2-CB 4.36Å; F449-F707 HydrophobicContact CE2-CD1 4.16Å; F449-F707 HydrophobicContact CE2-CE1 4.1Å; F449-F707 HydrophobicContact CZ-CE1 4.49Å; F449-L710 HydrophobicContact CB-CB 4.32Å; F449-L710 HydrophobicContact CD1-CD1 4.19Å; F449-L710 HydrophobicContact CD2-CB 4.14Å; F449-L710 HydrophobicContact CD2-CD2 4.49Å; F449-L710 HydrophobicContact CE1-CD2 4.37Å; F449-L710 HydrophobicContact CE2-CD2 4.32Å; F449-L710 HydrophobicContact CG-CB 4.17Å; F449-L710 HydrophobicContact CG-CD1 4.34Å; F449-L710 HydrophobicContact CZ-CD2 4.26Å
450	V	95.2	Very high	91.4	Very high	44 Å²	44	28.6 Å²	28.6	27%	0.267	14%	0.144	S	C	.	.	H	α-helix	trans	-62.6	-46.9	179.7	176	0	0	0	0	111.3	F446 W447 L453 I454	F446-V450 HydrophobicContact CE1-CG2 4.18Å; F446-V450 HydrophobicContact CZ-CG2 4.41Å; F446-V450 PolarHBondContact O-N 3.45Å; F446-V450 VanDerWaalsContact O-N 3.11Å; W447-V450 PolarHBondContact O-N 3.27Å; V450-L453 PolarHBondContact O-N 2.98Å; V450-I454 HydrophobicContact CG1-CD1 4.08Å; V450-I454 WeakPolarHBondContact O-CG1 3.36Å; V450-I454 PolarHBondContact O-N 2.76Å
451	I	93.8	Very high	90.9	Very high	35 Å²	35	28.1 Å²	28.1	18%	0.179	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-44.3	-179.7	-62.1	163.1	0	0	0	110.6	W447 S448 L453 I454 I455 L664 A667 V668 C671	W447-I451 VanDerWaalsContact O-CG1 3.24Å; W447-I451 WeakPolarHBondContact O-CG1 3.46Å; W447-I451 PolarHBondContact O-N 3.1Å; S448-I451 PolarHBondContact O-N 3.27Å; I451-L453 VanDerWaalsContact C-N 3.31Å; I451-L453 PolarHBondContact O-N 3.41Å; I451-I454 WeakPolarHBondContact O-CB 3.37Å; I451-I454 PolarHBondContact O-N 3.27Å; I451-I455 HydrophobicContact CG2-CD1 4.11Å; I451-I455 WeakPolarHBondContact O-CG1 3.49Å; I451-I455 PolarHBondContact O-N 3.24Å; I451-L664 HydrophobicContact CD1-CD1 4.26Å; I451-A667 HydrophobicContact CD1-CB 4.4Å; I451-V668 HydrophobicContact CD1-CG2 3.79Å; I451-C671 HydrophobicContact CB-CB 4.42Å; I451-C671 HydrophobicContact CG2-CB 4.06Å; I451-C671 WeakPolarHBondContact CG2-SG 3.42Å
452	L	93.3	Very high	90.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-37.4	177.5	-72.5	171.4	0	0	0	112	S448 F449 I454 I455 V456 C671 L674 L702 I705 A706	S448-L452 VanDerWaalsContact O-CB 3.3Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 WeakPolarHBondContact O-CG 3.49Å; S448-L452 PolarHBondContact O-N 2.81Å; F449-L452 PolarHBondContact O-N 2.83Å; L452-I454 VanDerWaalsContact C-N 3.33Å; L452-I454 PolarHBondContact O-N 3.05Å; L452-I455 HydrophobicContact CD2-CD1 4.5Å; L452-I455 PolarHBondContact O-N 3.21Å; L452-V456 WeakPolarHBondContact O-CG2 3.35Å; L452-V456 PolarHBondContact O-N 2.88Å; L452-C671 WeakPolarHBondContact CD2-SG 3.43Å; L452-L674 HydrophobicContact CD1-CD1 4.12Å; L452-L702 HydrophobicContact CD2-CD1 3.8Å; L452-L702 HydrophobicContact CD2-CG 4.42Å; L452-I705 HydrophobicContact CD1-CG2 4.03Å; L452-A706 HydrophobicContact CB-CB 3.72Å; L452-A706 HydrophobicContact CD1-CB 4.27Å
453	L	93.5	Very high	89.4	Confident	58 Å²	58	32 Å²	32	30%	0.304	16%	0.163	S	C	.	.	H	α-helix	trans	-63.7	-39.9	174.9	-170.6	150.9	0	0	0	111.3	F342 F449 V450 I451 V456 A457	F342-L453 HydrophobicContact CZ-CD2 4.25Å; F449-L453 HydrophobicContact CE1-CD1 4.4Å; F449-L453 HydrophobicContact CE2-CD1 4.16Å; F449-L453 HydrophobicContact CZ-CD1 3.8Å; F449-L453 VanDerWaalsContact O-CB 3.32Å; F449-L453 WeakPolarHBondContact O-CB 3.28Å; F449-L453 PolarHBondContact O-N 3.5Å; V450-L453 PolarHBondContact O-N 2.98Å; I451-L453 VanDerWaalsContact C-N 3.31Å; I451-L453 PolarHBondContact O-N 3.41Å; L453-V456 PolarHBondContact O-N 2.89Å; L453-A457 VanDerWaalsContact O-CB 3.32Å; L453-A457 WeakPolarHBondContact O-CB 3.02Å; L453-A457 PolarHBondContact O-N 3.23Å
454	I	92.9	Very high	88.7	Confident	90 Å²	90	30.6 Å²	30.6	46%	0.462	16%	0.159	S	C	.	.	H	α-helix	trans	-63.6	-42.3	173.9	-66.7	165.1	0	0	0	111	V450 I451 L452 V456 A457 T458	V450-I454 HydrophobicContact CG1-CD1 4.08Å; V450-I454 WeakPolarHBondContact O-CG1 3.36Å; V450-I454 PolarHBondContact O-N 2.76Å; I451-I454 WeakPolarHBondContact O-CB 3.37Å; I451-I454 PolarHBondContact O-N 3.27Å; L452-I454 VanDerWaalsContact C-N 3.33Å; L452-I454 PolarHBondContact O-N 3.05Å; I454-V456 VanDerWaalsContact C-N 3.35Å; I454-V456 PolarHBondContact O-N 3.29Å; I454-A457 PolarHBondContact O-N 3.28Å; I454-T458 HydrophobicContact CG2-CG2 4.27Å; I454-T458 WeakPolarHBondContact O-CB 3.28Å; I454-T458 WeakPolarHBondContact O-CG2 3.36Å; I454-T458 PolarHBondContact O-N 3.03Å; I454-T458 PolarHBondContact O-OG1 3.26Å
455	I	90.6	Very high	87.6	Confident	33 Å²	33	33 Å²	33	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-42.5	176.8	-67.7	172	0	0	0	110.9	I451 L452 T458 D459 A460 F675 L702	I451-I455 HydrophobicContact CG2-CD1 4.11Å; I451-I455 WeakPolarHBondContact O-CG1 3.49Å; I451-I455 PolarHBondContact O-N 3.24Å; L452-I455 HydrophobicContact CD2-CD1 4.5Å; L452-I455 PolarHBondContact O-N 3.21Å; I455-T458 PolarHBondContact O-OG1 3.11Å; I455-D459 PolarHBondContact O-N 3.3Å; I455-A460 HydrophobicContact CB-CB 4.46Å; I455-A460 HydrophobicContact CG2-CB 3.76Å; I455-A460 PolarHBondContact O-N 3.28Å; I455-F675 HydrophobicContact CG2-CD2 3.9Å; I455-F675 HydrophobicContact CG2-CE2 3.71Å; I455-L702 HydrophobicContact CB-CD2 4.39Å; I455-L702 HydrophobicContact CG2-CD2 3.6Å
456	V	91.4	Very high	86.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-42.9	175	173.8	0	0	0	0	111.3	F342 L345 L452 L453 I454 T458 D459 L702 L703	F342-V456 HydrophobicContact CD1-CG1 4.37Å; L345-V456 HydrophobicContact CB-CG1 4.31Å; L345-V456 HydrophobicContact CD2-CG1 4.32Å; L452-V456 WeakPolarHBondContact O-CG2 3.35Å; L452-V456 PolarHBondContact O-N 2.88Å; L453-V456 PolarHBondContact O-N 2.89Å; I454-V456 VanDerWaalsContact C-N 3.35Å; I454-V456 PolarHBondContact O-N 3.29Å; V456-T458 VanDerWaalsContact C-N 3.32Å; V456-T458 PolarHBondContact O-N 3.04Å; V456-D459 PolarHBondContact O-N 3.35Å; V456-L702 HydrophobicContact CG2-CB 3.93Å; V456-L702 HydrophobicContact CG2-CD2 3.69Å; V456-L702 HydrophobicContact CG2-CG 3.76Å; V456-L703 HydrophobicContact CG1-CB 4.38Å; V456-L703 HydrophobicContact CG2-CB 4.29Å
457	A	90.8	Very high	85.3	Confident	12 Å²	12	38.2 Å²	38.2	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-32.9	-178.9	0	0	0	0	0	112.7	L341 F342 L453 I454 D459	L341-A457 WeakPolarHBondContact CA-O 3.47Å; F342-A457 HydrophobicContact CD1-CB 4.49Å; F342-A457 HydrophobicContact CD2-CB 4.47Å; F342-A457 HydrophobicContact CE1-CB 4.06Å; F342-A457 HydrophobicContact CE2-CB 4.02Å; F342-A457 HydrophobicContact CZ-CB 3.8Å; F342-A457 PolarHBondContact N-O 3.08Å; L453-A457 VanDerWaalsContact O-CB 3.32Å; L453-A457 WeakPolarHBondContact O-CB 3.02Å; L453-A457 PolarHBondContact O-N 3.23Å; I454-A457 PolarHBondContact O-N 3.28Å; A457-D459 VanDerWaalsContact C-N 3.32Å
458	T	87.9	Confident	84.2	Confident	60 Å²	60	36.3 Å²	36.3	37%	0.368	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.1	-179	53.9	0	0	0	0	114.2	R337 I454 I455 V456 A460	R337-T458 PolarHBondContact NH2-O 3.45Å; I454-T458 HydrophobicContact CG2-CG2 4.27Å; I454-T458 WeakPolarHBondContact O-CB 3.28Å; I454-T458 WeakPolarHBondContact O-CG2 3.36Å; I454-T458 PolarHBondContact O-N 3.03Å; I454-T458 PolarHBondContact O-OG1 3.26Å; I455-T458 PolarHBondContact O-OG1 3.11Å; V456-T458 VanDerWaalsContact C-N 3.32Å; V456-T458 PolarHBondContact O-N 3.04Å; T458-A460 PolarHBondContact O-N 3.5Å
459	D	85.3	Confident	83	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.011	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	32.8	-173.7	-69.9	-15.6	0	0	0	112.5	R337 T338 G344 I455 V456 A457 S461 S462 H699	R337-D459 HydrophobicContact CG-CB 4.34Å; T338-D459 WeakPolarHBondContact CB-OD2 3.25Å; T338-D459 PolarHBondContact N-OD2 3.46Å; T338-D459 PolarHBondContact OG1-OD2 3.07Å; G344-D459 WeakPolarHBondContact CA-OD1 3.49Å; G344-D459 PolarHBondContact N-OD1 3.47Å; I455-D459 PolarHBondContact O-N 3.3Å; V456-D459 PolarHBondContact O-N 3.35Å; A457-D459 VanDerWaalsContact C-N 3.32Å; D459-S461 PolarHBondContact O-N 3.37Å; D459-S462 WeakPolarHBondContact O-CB 3.26Å; D459-S462 PolarHBondContact O-N 3.37Å; D459-S462 PolarHBondContact O-OG 2.98Å; D459-H699 IonicContact OD1-CD2 3.31Å; D459-H699 IonicContact OD1-NE2 2.64Å
460	A	81	Confident	81.9	Confident	12 Å²	12	39.9 Å²	39.9	10%	0.099	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-70.9	-12.8	-177	0	0	0	0	0	113.3	I455 T458 S462 M463	I455-A460 HydrophobicContact CB-CB 4.46Å; I455-A460 HydrophobicContact CG2-CB 3.76Å; I455-A460 PolarHBondContact O-N 3.28Å; T458-A460 PolarHBondContact O-N 3.5Å; A460-S462 PolarHBondContact O-N 3.02Å; A460-S462 VanDerWaalsContact O-N 3.16Å; A460-M463 HydrophobicContact CB-CE 4.5Å; A460-M463 WeakPolarHBondContact O-CB 3.44Å; A460-M463 WeakPolarHBondContact O-CG 3.31Å; A460-M463 PolarHBondContact O-N 3.42Å
461	S	78	Confident	80.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.6	-8.8	166	30.6	0	0	0	0	113.8	D459 M463 V464 H699	D459-S461 PolarHBondContact O-N 3.37Å; S461-M463 PolarHBondContact O-N 3.09Å; S461-V464 VanDerWaalsContact O-CB 3.24Å; S461-V464 WeakPolarHBondContact O-CB 3.39Å; S461-V464 WeakPolarHBondContact O-CG2 3.44Å; S461-V464 PolarHBondContact O-N 2.72Å; S461-H699 PolarHBondContact OG-CD2 3.38Å; S461-H699 PolarHBondContact OG-CE1 3.37Å; S461-H699 VanDerWaalsContact OG-CG 3.3Å; S461-H699 PolarHBondContact OG-NE2 3.34Å
462	S	74.7	Confident	79.6	Confident	16 Å²	16	37.5 Å²	37.5	11%	0.112	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.6	166.6	75.8	0	0	0	0	112.3	L335 D459 A460 V464 S465	L335-S462 WeakPolarHBondContact O-CB 3.12Å; D459-S462 WeakPolarHBondContact O-CB 3.26Å; D459-S462 PolarHBondContact O-N 3.37Å; D459-S462 PolarHBondContact O-OG 2.98Å; A460-S462 PolarHBondContact O-N 3.02Å; A460-S462 VanDerWaalsContact O-N 3.16Å; S462-V464 PolarHBondContact O-N 3.47Å; S462-V464 VanDerWaalsContact O-N 3.07Å; S462-S465 PolarHBondContact O-N 3.48Å; S462-S465 VanDerWaalsContact O-N 3.17Å; S462-S465 PolarHBondContact O-OG 3.46Å
463	M	73.9	Confident	78.7	Confident	105 Å²	105	41.6 Å²	41.6	52%	0.517	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62	-17.2	177.7	-66.3	-174.2	-162.9	0	0	113.4	A460 S461 S465 Y466	A460-M463 HydrophobicContact CB-CE 4.5Å; A460-M463 WeakPolarHBondContact O-CB 3.44Å; A460-M463 WeakPolarHBondContact O-CG 3.31Å; A460-M463 PolarHBondContact O-N 3.42Å; S461-M463 PolarHBondContact O-N 3.09Å; M463-S465 PolarHBondContact O-N 3.29Å; M463-Y466 HydrophobicContact CB-CD2 4.39Å; M463-Y466 WeakPolarHBondContact O-CB 3.32Å; M463-Y466 WeakPolarHBondContact O-CD2 3.46Å; M463-Y466 PolarHBondContact O-N 3.06Å
464	V	76.3	Confident	77.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61	-26.6	177.5	179.3	0	0	0	0	111.4	L335 S461 S462 Y466 I467 F675 Q679 V683 Y698	L335-V464 HydrophobicContact CD2-CB 4.05Å; L335-V464 HydrophobicContact CD2-CG1 4.44Å; S461-V464 VanDerWaalsContact O-CB 3.24Å; S461-V464 WeakPolarHBondContact O-CB 3.39Å; S461-V464 WeakPolarHBondContact O-CG2 3.44Å; S461-V464 PolarHBondContact O-N 2.72Å; S462-V464 PolarHBondContact O-N 3.47Å; S462-V464 VanDerWaalsContact O-N 3.07Å; V464-Y466 PolarHBondContact O-N 3.03Å; V464-I467 HydrophobicContact CG1-CD1 4.45Å; V464-I467 WeakPolarHBondContact O-CB 3.45Å; V464-I467 PolarHBondContact O-N 3.15Å; V464-I467 VanDerWaalsContact O-N 3.13Å; V464-F675 HydrophobicContact CG2-CZ 4.47Å; V464-Q679 HydrophobicContact CG1-CB 4.42Å; V464-Q679 HydrophobicContact CG2-CB 3.71Å; V464-Q679 VanDerWaalsContact CG2-CD 3.49Å; V464-Q679 HydrophobicContact CG2-CG 3.57Å; V464-V683 HydrophobicContact CG1-CG2 3.15Å; V464-Y698 HydrophobicContact CG1-CD1 4.35Å; V464-Y698 HydrophobicContact CG1-CE1 4.19Å
465	S	70.3	Confident	76.9	Confident	57 Å²	57	37 Å²	37	40%	0.399	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-64.6	-19.5	174.9	68.4	0	0	0	0	113.8	S462 M463 I467	S462-S465 PolarHBondContact O-N 3.48Å; S462-S465 VanDerWaalsContact O-N 3.17Å; S462-S465 PolarHBondContact O-OG 3.46Å; M463-S465 PolarHBondContact O-N 3.29Å; S465-I467 VanDerWaalsContact C-N 3.34Å
466	Y	69	Low	76.1	Confident	156 Å²	156	37 Å²	37	61%	0.612	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-81.3	-15	176.4	-64	-62.8	0	0	0	113.4	M463 V464 T468 R818	M463-Y466 HydrophobicContact CB-CD2 4.39Å; M463-Y466 WeakPolarHBondContact O-CB 3.32Å; M463-Y466 WeakPolarHBondContact O-CD2 3.46Å; M463-Y466 PolarHBondContact O-N 3.06Å; V464-Y466 PolarHBondContact O-N 3.03Å; Y466-T468 PolarHBondContact O-N 3.16Å; Y466-R818 PolarHBondContact O-NH1 3.44Å
467	I	70.6	Confident	75.4	Confident	22 Å²	22	38.9 Å²	38.9	11%	0.113	21%	0.211	C	C	.	.			trans	-74.6	123	173.6	-56.9	176	0	0	0	106.8	V464 S465 T471 E472 M676 I680	V464-I467 HydrophobicContact CG1-CD1 4.45Å; V464-I467 WeakPolarHBondContact O-CB 3.45Å; V464-I467 PolarHBondContact O-N 3.15Å; V464-I467 VanDerWaalsContact O-N 3.13Å; S465-I467 VanDerWaalsContact C-N 3.34Å; I467-T471 WeakPolarHBondContact CG2-OG1 3.43Å; I467-E472 HydrophobicContact CG2-CG 3.81Å; I467-M676 HydrophobicContact CD1-CE 4.14Å; I467-I680 HydrophobicContact CD1-CG1 3.95Å; I467-I680 HydrophobicContact CG2-CG1 4.5Å
468	T	70.9	Confident	74.8	Confident	26 Å²	26	40.3 Å²	40.3	16%	0.16	22%	0.216	C	C	.	.			trans	-115.1	171.1	176.3	68.2	0	0	0	0	113.1	Y466 F470 T471 E472 R818 D834	Y466-T468 PolarHBondContact O-N 3.16Å; T468-F470 PolarHBondContact O-N 3.43Å; T468-T471 PolarHBondContact N-OG1 3.28Å; T468-T471 VanDerWaalsContact N-OG1 3.08Å; T468-T471 PolarHBondContact O-N 3.13Å; T468-T471 PolarHBondContact O-OG1 3.31Å; T468-E472 WeakPolarHBondContact O-CG 3.36Å; T468-E472 PolarHBondContact O-N 3.33Å; T468-R818 VanDerWaalsContact CB-CZ 3.4Å; T468-R818 PolarHBondContact OG1-NE 3.28Å; T468-R818 PolarHBondContact OG1-NH1 2.91Å; T468-R818 PolarHBondContact OG1-NH2 2.94Å; T468-D834 WeakPolarHBondContact CB-OD1 3.37Å; T468-D834 PolarHBondContact OG1-OD1 2.93Å
469	R	69.2	Low	74	Confident	32 Å²	32	38.3 Å²	38.3	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-45.7	-45	174.8	-178.9	175.2	-158.5	127.5	15.5	113.2	T471 E472 E473 R687 E689 D834 K836	R469-T471 VanDerWaalsContact C-N 3.34Å; R469-T471 PolarHBondContact O-N 3.36Å; R469-E472 PolarHBondContact O-N 2.82Å; R469-E473 HydrophobicContact CG-CG 4.14Å; R469-E473 IonicContact CZ-OE1 2.81Å; R469-E473 IonicContact NE-OE1 3.97Å; R469-E473 PolarHBondContact NE-OE1 3.36Å; R469-E473 IonicContact NE-OE2 2.93Å; R469-E473 IonicContact NH2-OE1 2.69Å; R469-E473 PolarHBondContact NH2-OE1 2.98Å; R469-E473 VanDerWaalsContact NH2-OE1 3.08Å; R469-E473 WeakPolarHBondContact O-CB 3.5Å; R469-E473 WeakPolarHBondContact O-CG 3.46Å; R469-E473 PolarHBondContact O-N 3.3Å; R469-R687 VanDerWaalsContact NE-NH2 3.15Å; R469-R687 VanDerWaalsContact NH2-NH1 3.14Å; R469-E689 IonicContact CZ-OE1 3.78Å; R469-E689 IonicContact NH1-OE1 2.83Å; R469-E689 PolarHBondContact NH1-OE1 3.11Å; R469-E689 IonicContact NH2-OE1 3.53Å; R469-E689 PolarHBondContact NH2-OE1 3.3Å; R469-D834 WeakPolarHBondContact CB-O 3.46Å; R469-D834 WeakPolarHBondContact CD-O 3.4Å; R469-K836 VanDerWaalsContact NH1-CB 3.3Å
470	F	70.5	Confident	73.5	Confident	74 Å²	74	41 Å²	41	33%	0.325	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-46	179.1	179.4	-98.9	0	0	0	111.8	T468 S474 D834	T468-F470 PolarHBondContact O-N 3.43Å; F470-S474 WeakPolarHBondContact O-CB 3.37Å; F470-S474 PolarHBondContact O-N 3.16Å; F470-S474 PolarHBondContact O-OG 2.75Å; F470-D834 WeakPolarHBondContact CB-OD1 3.33Å; F470-D834 PolarHBondContact N-OD1 2.83Å
471	T	70	Confident	73.4	Confident	12 Å²	12	47.1 Å²	47.1	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-37.2	179	58.7	0	0	0	0	112.3	I467 T468 R469 F475 V815	I467-T471 WeakPolarHBondContact CG2-OG1 3.43Å; T468-T471 PolarHBondContact N-OG1 3.28Å; T468-T471 VanDerWaalsContact N-OG1 3.08Å; T468-T471 PolarHBondContact O-N 3.13Å; T468-T471 PolarHBondContact O-OG1 3.31Å; R469-T471 VanDerWaalsContact C-N 3.34Å; R469-T471 PolarHBondContact O-N 3.36Å; T471-F475 WeakPolarHBondContact O-CB 3.41Å; T471-F475 PolarHBondContact O-N 3.49Å; T471-V815 HydrophobicContact CG2-CG2 4.22Å
472	E	71.1	Confident	73.1	Confident	18 Å²	18	50 Å²	50	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-49.9	177	-70.6	171	-158.6	0	0	112.7	I467 T468 R469 S474 F475 A476 V683 I684	I467-E472 HydrophobicContact CG2-CG 3.81Å; T468-E472 WeakPolarHBondContact O-CG 3.36Å; T468-E472 PolarHBondContact O-N 3.33Å; R469-E472 PolarHBondContact O-N 2.82Å; E472-S474 VanDerWaalsContact C-N 3.31Å; E472-S474 PolarHBondContact O-N 3.04Å; E472-F475 PolarHBondContact O-N 3.26Å; E472-A476 WeakPolarHBondContact O-CB 3.34Å; E472-A476 PolarHBondContact O-N 3Å; E472-V683 WeakPolarHBondContact OE1-CG1 3.49Å; E472-I684 HydrophobicContact CB-CG1 4.29Å; E472-I684 HydrophobicContact CG-CG1 4.25Å
473	E	75.5	Confident	73	Confident	85 Å²	85	54.1 Å²	54.1	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-36.7	-179.1	-69.1	-172.3	178.5	0	0	110.3	R469 A476 A477 R687	R469-E473 HydrophobicContact CG-CG 4.14Å; R469-E473 IonicContact CZ-OE1 2.81Å; R469-E473 IonicContact NE-OE1 3.97Å; R469-E473 PolarHBondContact NE-OE1 3.36Å; R469-E473 IonicContact NE-OE2 2.93Å; R469-E473 IonicContact NH2-OE1 2.69Å; R469-E473 PolarHBondContact NH2-OE1 2.98Å; R469-E473 VanDerWaalsContact NH2-OE1 3.08Å; R469-E473 WeakPolarHBondContact O-CB 3.5Å; R469-E473 WeakPolarHBondContact O-CG 3.46Å; R469-E473 PolarHBondContact O-N 3.3Å; E473-A476 PolarHBondContact O-N 3.25Å; E473-A477 WeakPolarHBondContact O-CB 3.33Å; E473-A477 PolarHBondContact O-N 3.26Å; E473-R687 IonicContact OE1-CZ 3.75Å; E473-R687 IonicContact OE1-NH1 2.72Å; E473-R687 IonicContact OE1-NH2 2.62Å; E473-R687 PolarHBondContact OE1-NH2 2.94Å
474	S	75	Confident	73.2	Confident	35 Å²	35	53.7 Å²	53.7	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-43.5	171.8	-62.1	0	0	0	0	112.3	F470 E472 A477 L478	F470-S474 WeakPolarHBondContact O-CB 3.37Å; F470-S474 PolarHBondContact O-N 3.16Å; F470-S474 PolarHBondContact O-OG 2.75Å; E472-S474 VanDerWaalsContact C-N 3.31Å; E472-S474 PolarHBondContact O-N 3.04Å; S474-A477 PolarHBondContact O-N 2.91Å; S474-L478 WeakPolarHBondContact O-CB 3.41Å; S474-L478 PolarHBondContact O-N 3.34Å
475	F	74	Confident	73.3	Confident	17 Å²	17	59.2 Å²	59.2	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-43.5	177.3	-176.9	-111	0	0	0	112.1	T471 E472 A477 L478 I479 I680 T724 L811	T471-F475 WeakPolarHBondContact O-CB 3.41Å; T471-F475 PolarHBondContact O-N 3.49Å; E472-F475 PolarHBondContact O-N 3.26Å; F475-A477 VanDerWaalsContact C-N 3.3Å; F475-A477 PolarHBondContact O-N 2.94Å; F475-L478 PolarHBondContact O-N 3.44Å; F475-I479 HydrophobicContact CD1-CG1 4.22Å; F475-I479 HydrophobicContact CD2-CG1 4.29Å; F475-I479 HydrophobicContact CE1-CD1 4.46Å; F475-I479 HydrophobicContact CE1-CG1 3.91Å; F475-I479 HydrophobicContact CE2-CD1 4.01Å; F475-I479 HydrophobicContact CE2-CG1 4Å; F475-I479 HydrophobicContact CG-CG1 4.43Å; F475-I479 HydrophobicContact CZ-CD1 3.89Å; F475-I479 HydrophobicContact CZ-CG1 3.81Å; F475-I479 WeakPolarHBondContact O-CG1 3.4Å; F475-I479 PolarHBondContact O-N 3.23Å; F475-I680 HydrophobicContact CD1-CB 4.5Å; F475-I680 HydrophobicContact CD1-CD1 4.24Å; F475-I680 HydrophobicContact CD1-CG2 3.6Å; F475-I680 HydrophobicContact CE1-CD1 4.36Å; F475-I680 HydrophobicContact CE1-CG2 4.03Å; F475-I680 HydrophobicContact CG-CD1 4.37Å; F475-I680 HydrophobicContact CG-CG2 4.42Å; F475-T724 HydrophobicContact CE1-CG2 4.3Å; F475-L811 HydrophobicContact CB-CD1 4.06Å; F475-L811 HydrophobicContact CD2-CD1 3.15Å; F475-L811 HydrophobicContact CE2-CD1 3.71Å; F475-L811 HydrophobicContact CG-CD1 3.83Å
476	A	73	Confident	73.4	Confident	32 Å²	32	59.4 Å²	59.4	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-39.7	176.2	0	0	0	0	0	111.8	E472 E473 S480	E472-A476 WeakPolarHBondContact O-CB 3.34Å; E472-A476 PolarHBondContact O-N 3Å; E473-A476 PolarHBondContact O-N 3.25Å; A476-S480 WeakPolarHBondContact O-CB 3.09Å; A476-S480 PolarHBondContact O-N 3.06Å; A476-S480 PolarHBondContact O-OG 3.28Å
477	A	77.4	Confident	73.8	Confident	41 Å²	41	55.2 Å²	55.2	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-46.7	174.1	0	0	0	0	0	111.6	E473 S474 F475 I479 S480 F481	E473-A477 WeakPolarHBondContact O-CB 3.33Å; E473-A477 PolarHBondContact O-N 3.26Å; S474-A477 PolarHBondContact O-N 2.91Å; F475-A477 VanDerWaalsContact C-N 3.3Å; F475-A477 PolarHBondContact O-N 2.94Å; A477-I479 PolarHBondContact O-N 3.19Å; A477-S480 WeakPolarHBondContact O-CB 3.24Å; A477-S480 PolarHBondContact O-N 3.29Å; A477-F481 HydrophobicContact CB-CE2 4.42Å; A477-F481 WeakPolarHBondContact O-CD2 3.39Å; A477-F481 PolarHBondContact O-N 3.48Å
478	L	76.8	Confident	74.4	Confident	41 Å²	41	58.3 Å²	58.3	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-47.6	178.1	-178.5	61.6	0	0	0	112.2	S474 F475 S480 F481 I482 V807	S474-L478 WeakPolarHBondContact O-CB 3.41Å; S474-L478 PolarHBondContact O-N 3.34Å; F475-L478 PolarHBondContact O-N 3.44Å; L478-S480 VanDerWaalsContact C-N 3.29Å; L478-S480 PolarHBondContact O-N 3.06Å; L478-F481 PolarHBondContact O-N 3.17Å; L478-I482 HydrophobicContact CD1-CD1 4.33Å; L478-I482 HydrophobicContact CG-CD1 4.06Å; L478-I482 VanDerWaalsContact O-CG1 3.31Å; L478-I482 WeakPolarHBondContact O-CG1 3.32Å; L478-I482 PolarHBondContact O-N 3.16Å; L478-V807 HydrophobicContact CD2-CG1 3.79Å; L478-V807 HydrophobicContact CD2-CG2 4.5Å
479	I	71.7	Confident	74.7	Confident	19 Å²	19	58.2 Å²	58.2	10%	0.097	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-38.8	176.6	-66.1	-62.4	0	0	0	111	F475 A477 I482 F483	F475-I479 HydrophobicContact CD1-CG1 4.22Å; F475-I479 HydrophobicContact CD2-CG1 4.29Å; F475-I479 HydrophobicContact CE1-CD1 4.46Å; F475-I479 HydrophobicContact CE1-CG1 3.91Å; F475-I479 HydrophobicContact CE2-CD1 4.01Å; F475-I479 HydrophobicContact CE2-CG1 4Å; F475-I479 HydrophobicContact CG-CG1 4.43Å; F475-I479 HydrophobicContact CZ-CD1 3.89Å; F475-I479 HydrophobicContact CZ-CG1 3.81Å; F475-I479 WeakPolarHBondContact O-CG1 3.4Å; F475-I479 PolarHBondContact O-N 3.23Å; A477-I479 PolarHBondContact O-N 3.19Å; I479-I482 HydrophobicContact CD1-CD1 4.45Å; I479-I482 PolarHBondContact O-N 3.23Å; I479-F483 HydrophobicContact CG2-CD2 3.62Å; I479-F483 HydrophobicContact CG2-CE2 3.4Å; I479-F483 VanDerWaalsContact CG2-CE2 3.4Å; I479-F483 VanDerWaalsContact O-CD2 3.23Å; I479-F483 WeakPolarHBondContact O-CD2 3.36Å; I479-F483 PolarHBondContact O-N 3.07Å
480	S	75.1	Confident	74.8	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.7	-59.9	0	0	0	0	111.7	A476 A477 L478 F483 I484	A476-S480 WeakPolarHBondContact O-CB 3.09Å; A476-S480 PolarHBondContact O-N 3.06Å; A476-S480 PolarHBondContact O-OG 3.28Å; A477-S480 WeakPolarHBondContact O-CB 3.24Å; A477-S480 PolarHBondContact O-N 3.29Å; L478-S480 VanDerWaalsContact C-N 3.29Å; L478-S480 PolarHBondContact O-N 3.06Å; S480-F483 PolarHBondContact O-N 3.13Å; S480-I484 VanDerWaalsContact O-CG1 3.3Å; S480-I484 WeakPolarHBondContact O-CG1 2.88Å; S480-I484 PolarHBondContact O-N 3.37Å
481	F	77.8	Confident	75.4	Confident	142 Å²	142	57.3 Å²	57.3	62%	0.623	30%	0.304	S	S	*	.	H	α-helix	trans	-63.6	-41.3	175.4	-73.7	-57.6	0	0	0	112.6	A477 L478 F483 I484 F485	A477-F481 HydrophobicContact CB-CE2 4.42Å; A477-F481 WeakPolarHBondContact O-CD2 3.39Å; A477-F481 PolarHBondContact O-N 3.48Å; L478-F481 PolarHBondContact O-N 3.17Å; F481-F483 PolarHBondContact O-N 3.15Å; F481-I484 PolarHBondContact O-N 2.94Å; F481-F485 WeakPolarHBondContact O-CB 3.13Å; F481-F485 PolarHBondContact O-N 3.07Å
482	I	71.8	Confident	75.9	Confident	61 Å²	61	61.3 Å²	61.3	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-46.5	176.5	-70.1	166.4	0	0	0	110.5	L478 I479 I484 F485 E486 V807	L478-I482 HydrophobicContact CD1-CD1 4.33Å; L478-I482 HydrophobicContact CG-CD1 4.06Å; L478-I482 VanDerWaalsContact O-CG1 3.31Å; L478-I482 WeakPolarHBondContact O-CG1 3.32Å; L478-I482 PolarHBondContact O-N 3.16Å; I479-I482 HydrophobicContact CD1-CD1 4.45Å; I479-I482 PolarHBondContact O-N 3.23Å; I482-I484 PolarHBondContact O-N 3.23Å; I482-F485 PolarHBondContact O-N 3.04Å; I482-E486 VanDerWaalsContact O-CB 3.3Å; I482-E486 WeakPolarHBondContact O-CB 3.02Å; I482-E486 PolarHBondContact O-N 3.24Å; I482-V807 HydrophobicContact CD1-CG1 4.2Å
483	F	72.4	Confident	76	Confident	101 Å²	101	61.4 Å²	61.4	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-37.8	178.5	-80.9	-57.1	0	0	0	113.1	I479 S480 F481 C487 V725	I479-F483 HydrophobicContact CG2-CD2 3.62Å; I479-F483 HydrophobicContact CG2-CE2 3.4Å; I479-F483 VanDerWaalsContact CG2-CE2 3.4Å; I479-F483 VanDerWaalsContact O-CD2 3.23Å; I479-F483 WeakPolarHBondContact O-CD2 3.36Å; I479-F483 PolarHBondContact O-N 3.07Å; S480-F483 PolarHBondContact O-N 3.13Å; F481-F483 PolarHBondContact O-N 3.15Å; F483-C487 WeakPolarHBondContact O-CB 3.46Å; F483-C487 PolarHBondContact O-N 2.87Å; F483-V725 HydrophobicContact CD2-CG2 4.49Å; F483-V725 HydrophobicContact CE2-CG2 4.24Å
484	I	79.4	Confident	76	Confident	97 Å²	97	59.3 Å²	59.3	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-48.3	175.2	-68.1	165.6	0	0	0	110.1	S480 F481 I482 E486 C487 I488	S480-I484 VanDerWaalsContact O-CG1 3.3Å; S480-I484 WeakPolarHBondContact O-CG1 2.88Å; S480-I484 PolarHBondContact O-N 3.37Å; F481-I484 PolarHBondContact O-N 2.94Å; I482-I484 PolarHBondContact O-N 3.23Å; I484-E486 PolarHBondContact O-N 3.08Å; I484-C487 WeakPolarHBondContact O-CB 3.36Å; I484-C487 PolarHBondContact O-N 3.41Å; I484-I488 HydrophobicContact CG2-CD1 4.04Å; I484-I488 WeakPolarHBondContact O-CG1 3.3Å; I484-I488 PolarHBondContact O-N 3.31Å; I484-I488 VanDerWaalsContact O-N 3.08Å
485	F	78.7	Confident	75.9	Confident	119 Å²	119	60.8 Å²	60.8	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-42.5	178.5	-178.2	-93.2	0	0	0	111.9	F481 I482 C487 I488 A489 V800	F481-F485 WeakPolarHBondContact O-CB 3.13Å; F481-F485 PolarHBondContact O-N 3.07Å; I482-F485 PolarHBondContact O-N 3.04Å; F485-C487 VanDerWaalsContact C-N 3.32Å; F485-C487 PolarHBondContact O-N 2.79Å; F485-I488 PolarHBondContact O-N 3.46Å; F485-A489 HydrophobicContact CE1-CB 4.4Å; F485-A489 WeakPolarHBondContact O-CB 3.01Å; F485-A489 PolarHBondContact O-N 3.02Å; F485-V800 HydrophobicContact CE1-CG2 3.95Å; F485-V800 HydrophobicContact CZ-CG2 4.33Å
486	E	70.8	Confident	75.5	Confident	61 Å²	61	66 Å²	66	29%	0.285	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-38.8	176.8	-172.7	-178.2	168	0	0	111.8	I482 I484 A489 K490	I482-E486 VanDerWaalsContact O-CB 3.3Å; I482-E486 WeakPolarHBondContact O-CB 3.02Å; I482-E486 PolarHBondContact O-N 3.24Å; I484-E486 PolarHBondContact O-N 3.08Å; E486-A489 PolarHBondContact O-N 3Å; E486-K490 HydrophobicContact CG-CD 4.31Å; E486-K490 WeakPolarHBondContact O-CB 3.32Å; E486-K490 VanDerWaalsContact O-CG 3.31Å; E486-K490 WeakPolarHBondContact O-CG 3.47Å; E486-K490 PolarHBondContact O-N 3.44Å; E486-K490 WeakPolarHBondContact OE1-CE 3.28Å; E486-K490 IonicContact OE1-NZ 3.43Å; E486-K490 PolarHBondContact OE1-NZ 3.1Å
487	C	77.3	Confident	74.8	Confident	68 Å²	68	70.5 Å²	70.5	46%	0.459	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-48.5	174.3	-173.9	0	0	0	0	111.4	F483 I484 F485 K490 L491	F483-C487 WeakPolarHBondContact O-CB 3.46Å; F483-C487 PolarHBondContact O-N 2.87Å; I484-C487 WeakPolarHBondContact O-CB 3.36Å; I484-C487 PolarHBondContact O-N 3.41Å; F485-C487 VanDerWaalsContact C-N 3.32Å; F485-C487 PolarHBondContact O-N 2.79Å; C487-K490 PolarHBondContact O-N 3.12Å; C487-L491 PolarHBondContact O-N 3.08Å
488	I	83.1	Confident	73.9	Confident	86 Å²	86	69.5 Å²	69.5	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-44.1	178.2	-64.1	166.8	0	0	0	110.7	I484 F485 K490 L491 L492	I484-I488 HydrophobicContact CG2-CD1 4.04Å; I484-I488 WeakPolarHBondContact O-CG1 3.3Å; I484-I488 PolarHBondContact O-N 3.31Å; I484-I488 VanDerWaalsContact O-N 3.08Å; F485-I488 PolarHBondContact O-N 3.46Å; I488-K490 VanDerWaalsContact C-N 3.33Å; I488-K490 PolarHBondContact O-N 3.15Å; I488-L491 WeakPolarHBondContact O-CB 3.3Å; I488-L491 PolarHBondContact O-N 3.44Å; I488-L492 HydrophobicContact CG2-CD1 4.05Å; I488-L492 HydrophobicContact CG2-CG 4.39Å; I488-L492 WeakPolarHBondContact O-CG 3.09Å; I488-L492 PolarHBondContact O-N 3.48Å
489	A	77.1	Confident	72.8	Confident	25 Å²	25	74 Å²	74	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-39.6	178.5	0	0	0	0	0	112	F485 E486 L492 A493	F485-A489 HydrophobicContact CE1-CB 4.4Å; F485-A489 WeakPolarHBondContact O-CB 3.01Å; F485-A489 PolarHBondContact O-N 3.02Å; E486-A489 PolarHBondContact O-N 3Å; A489-L492 PolarHBondContact O-N 3.27Å; A489-A493 WeakPolarHBondContact O-CB 3.39Å; A489-A493 PolarHBondContact O-N 2.95Å
490	K	72.9	Confident	72	Confident	62 Å²	62	74.9 Å²	74.9	27%	0.27	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-38.8	174.2	-75.9	173.5	-177.3	164.5	0	112.3	H382 E486 C487 I488 A493 I494	H382-K490 PolarHBondContact CD2-NZ 3.07Å; H382-K490 PolarHBondContact CE1-NZ 3.27Å; H382-K490 VanDerWaalsContact CG-NZ 3.29Å; H382-K490 PolarHBondContact ND1-NZ 2.86Å; H382-K490 PolarHBondContact NE2-NZ 3.33Å; E486-K490 HydrophobicContact CG-CD 4.31Å; E486-K490 WeakPolarHBondContact O-CB 3.32Å; E486-K490 VanDerWaalsContact O-CG 3.31Å; E486-K490 WeakPolarHBondContact O-CG 3.47Å; E486-K490 PolarHBondContact O-N 3.44Å; E486-K490 WeakPolarHBondContact OE1-CE 3.28Å; E486-K490 IonicContact OE1-NZ 3.43Å; E486-K490 PolarHBondContact OE1-NZ 3.1Å; C487-K490 PolarHBondContact O-N 3.12Å; I488-K490 VanDerWaalsContact C-N 3.33Å; I488-K490 PolarHBondContact O-N 3.15Å; K490-A493 PolarHBondContact O-N 3.47Å; K490-I494 PolarHBondContact O-N 3.12Å
491	L	81.9	Confident	70.8	Confident	25 Å²	25	74 Å²	74	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-46.6	174.9	-177.6	62.9	0	0	0	110.7	C487 I488 A493 I494 F571 V575 V578	C487-L491 PolarHBondContact O-N 3.08Å; I488-L491 WeakPolarHBondContact O-CB 3.3Å; I488-L491 PolarHBondContact O-N 3.44Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.01Å; L491-I494 WeakPolarHBondContact O-CB 3.45Å; L491-I494 PolarHBondContact O-N 3.47Å; L491-F571 WeakPolarHBondContact O-CE2 3.47Å; L491-V575 HydrophobicContact CD1-CG2 3.94Å; L491-V575 HydrophobicContact CD2-CG2 4.17Å; L491-V575 HydrophobicContact CG-CG2 4.24Å; L491-V578 HydrophobicContact CD1-CG2 4.27Å
492	L	81.6	Confident	69.5	Low	95 Å²	95	74 Å²	74	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-33.2	176.4	-67.9	175.1	0	0	0	112.6	I488 A489 I494 L495	I488-L492 HydrophobicContact CG2-CD1 4.05Å; I488-L492 HydrophobicContact CG2-CG 4.39Å; I488-L492 WeakPolarHBondContact O-CG 3.09Å; I488-L492 PolarHBondContact O-N 3.48Å; A489-L492 PolarHBondContact O-N 3.27Å; L492-I494 PolarHBondContact O-N 3.08Å; L492-L495 WeakPolarHBondContact O-CB 3.35Å; L492-L495 PolarHBondContact O-N 3.5Å
493	A	73.1	Confident	68.6	Low	20 Å²	20	72.6 Å²	72.6	17%	0.165	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-22.7	175.8	0	0	0	0	0	113.2	A489 K490 L491 L495 D496 H497 L794	A489-A493 WeakPolarHBondContact O-CB 3.39Å; A489-A493 PolarHBondContact O-N 2.95Å; K490-A493 PolarHBondContact O-N 3.47Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.01Å; A493-L495 VanDerWaalsContact C-N 3.25Å; A493-L495 PolarHBondContact O-N 2.78Å; A493-D496 PolarHBondContact O-N 3.26Å; A493-H497 PolarHBondContact O-CD2 3.14Å; A493-L794 HydrophobicContact CB-CD1 3.71Å
494	I	74.8	Confident	67.5	Low	41 Å²	41	77 Å²	77	21%	0.21	40%	0.403	C	S	.	.	H	α-helix	trans	-68	-29.3	173.7	-61.7	168.4	0	0	0	110.8	K490 L491 L492 D496 H497 A498 F571 P629	K490-I494 PolarHBondContact O-N 3.12Å; L491-I494 WeakPolarHBondContact O-CB 3.45Å; L491-I494 PolarHBondContact O-N 3.47Å; L492-I494 PolarHBondContact O-N 3.08Å; I494-D496 VanDerWaalsContact C-N 3.27Å; I494-D496 PolarHBondContact O-N 3.06Å; I494-H497 PolarHBondContact O-N 3.27Å; I494-A498 PolarHBondContact O-N 2.67Å; I494-F571 HydrophobicContact CB-CD2 4.39Å; I494-F571 HydrophobicContact CG2-CD2 4.46Å; I494-P629 HydrophobicContact CD1-CG 4.21Å
495	L	72.6	Confident	66.4	Low	67 Å²	67	73.2 Å²	73.2	35%	0.351	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-37.4	177.5	-170.5	66.3	0	0	0	111.9	L492 A493 H497 A498 Y568 F571	L492-L495 WeakPolarHBondContact O-CB 3.35Å; L492-L495 PolarHBondContact O-N 3.5Å; A493-L495 VanDerWaalsContact C-N 3.25Å; A493-L495 PolarHBondContact O-N 2.78Å; L495-H497 PolarHBondContact O-N 2.91Å; L495-A498 PolarHBondContact O-N 3.24Å; L495-Y568 HydrophobicContact CD1-CD1 3.99Å; L495-Y568 HydrophobicContact CD1-CE1 3.95Å; L495-F571 HydrophobicContact CB-CD2 4.01Å; L495-F571 HydrophobicContact CB-CE2 4.04Å; L495-F571 HydrophobicContact CD1-CB 4.49Å; L495-F571 HydrophobicContact CD1-CD1 4.11Å; L495-F571 HydrophobicContact CD1-CD2 4.16Å; L495-F571 HydrophobicContact CD1-CE1 4.39Å; L495-F571 HydrophobicContact CD1-CE2 4.43Å; L495-F571 HydrophobicContact CD1-CG 3.99Å
496	D	65.6	Low	65.7	Low	126 Å²	126	71.9 Å²	71.9	67%	0.674	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.6	178.2	-71	-15.7	0	0	0	112.8	A493 I494	A493-D496 PolarHBondContact O-N 3.26Å; I494-D496 VanDerWaalsContact C-N 3.27Å; I494-D496 PolarHBondContact O-N 3.06Å
497	H	59.4	Low	65.5	Low	127 Å²	127	69.3 Å²	69.3	59%	0.588	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.5	-179.5	-68.3	-56.2	0	0	0	113.6	A493 I494 L495 R499	A493-H497 PolarHBondContact O-CD2 3.14Å; I494-H497 PolarHBondContact O-N 3.27Å; L495-H497 PolarHBondContact O-N 2.91Å; H497-R499 PolarHBondContact O-N 2.62Å
498	A	58.2	Low	65.2	Low	19 Å²	19	68.1 Å²	68.1	16%	0.157	38%	0.377	C	S	.	.			trans	-64.6	101.2	174.7	0	0	0	0	0	110	I494 L495	I494-A498 PolarHBondContact O-N 2.67Å; L495-A498 PolarHBondContact O-N 3.24Å
499	R	54	Low	64.7	Low	135 Å²	135	64.5 Å²	64.5	51%	0.509	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-65.8	142	177.8	-73.9	179.4	163.6	-176.1	-13.8	110.7	H497 S501 L786	H497-R499 PolarHBondContact O-N 2.62Å; R499-S501 PolarHBondContact O-N 3.14Å; R499-L786 VanDerWaalsContact CZ-CD2 3.48Å; R499-L786 VanDerWaalsContact NH2-CG 3.31Å
500	L	54.4	Low	64.4	Low	38 Å²	38	68.1 Å²	68.1	20%	0.199	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-63.4	119.5	158.2	-74.1	142.3	0	0	0	106.9	L549 L559 C564	L500-L549 HydrophobicContact CB-CD2 4.36Å; L500-L549 HydrophobicContact CD1-CB 3.99Å; L500-L549 HydrophobicContact CD1-CD2 4.27Å; L500-L559 HydrophobicContact CD1-CD1 4.17Å; L500-L559 HydrophobicContact CD1-CD2 4.14Å; L500-C564 HydrophobicContact CD2-CB 4.45Å
501	S	50.6	Low	64.3	Low	38 Å²	38	69.1 Å²	69.1	27%	0.266	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-91.5	132.8	176.8	179.4	0	0	0	0	109.9	R499 G503 M567	R499-S501 PolarHBondContact O-N 3.14Å; S501-G503 VanDerWaalsContact C-N 3.3Å; S501-G503 PolarHBondContact O-N 3.07Å; S501-M567 WeakPolarHBondContact CB-SD 3.35Å; S501-M567 WeakPolarHBondContact OG-CE 3.46Å
502	Q	50.3	Low	63.3	Low	143 Å²	143	73.6 Å²	73.6	67%	0.668	40%	0.403	S	S	*	.			trans	-70.9	91.9	160.9	-72.6	-176.6	-13.5	0	0	107.5
503	G	52.4	Low	62.2	Low	32 Å²	32	77.2 Å²	77.2	33%	0.33	42%	0.423	S	S	.	.			trans	-66.2	-158.6	162.1	0	0	0	0	0	110.7	S501 G505	S501-G503 VanDerWaalsContact C-N 3.3Å; S501-G503 PolarHBondContact O-N 3.07Å; G503-G505 PolarHBondContact O-N 2.88Å
504	N	48.7	Very low	61.1	Low	192 Å²	192	78.8 Å²	78.8	100%	1.027	43%	0.433	S	S	*	.	S	Bend	trans	-72.1	40.6	176.5	-133.6	18.1	0	0	0	113.2
505	G	56.5	Low	60.1	Low	19 Å²	19	83 Å²	83	20%	0.196	46%	0.461	C	S	.	.	S	Bend	trans	-159.5	150.9	-179	0	0	0	0	0	110.2	G503 A563	G503-G505 PolarHBondContact O-N 2.88Å; G505-A563 WeakPolarHBondContact O-CB 3.22Å
506	S	63.8	Low	59	Low	90 Å²	90	85.5 Å²	85.5	63%	0.629	48%	0.475	S	S	*	.			trans	-77.9	141.7	176	49.9	0	0	0	0	110.4	G561	S506-G561 WeakPolarHBondContact O-CA 3.38Å
507	C	68.1	Low	58.5	Low	7 Å²	7	81.6 Å²	81.6	5%	0.047	46%	0.455	C	S	.	.			trans	-122.4	116.5	164.9	-175.6	0	0	0	0	105.8	L549 C564	C507-L549 HydrophobicContact CB-CD2 3.83Å; C507-L549 WeakPolarHBondContact SG-CD2 3.2Å; C507-C564 VanDerWaalsContact CA-SG 3.51Å; C507-C564 HydrophobicContact CB-CB 4.22Å; C507-C564 WeakPolarHBondContact CB-SG 3.35Å; C507-C564 WeakPolarHBondContact SG-CA 3.34Å; C507-C564 WeakPolarHBondContact SG-CB 3.18Å; C507-C564 CovalentContact SG-SG 2.03Å; C507-C564 PolarHBondContact SG-SG 3.3Å
508	A	69.8	Low	58.1	Low	43 Å²	43	83.8 Å²	83.8	36%	0.355	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.7	-177.2	0	0	0	0	0	109.8	D560	A508-D560 PolarHBondContact N-O 2.68Å; A508-D560 PolarHBondContact O-N 2.89Å
509	C	72.7	Confident	57.6	Low	10 Å²	10	90.7 Å²	90.7	7%	0.068	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.1	172.3	-170.7	0	0	0	0	108.8	W544 C552	C509-W544 HydrophobicContact CB-CE3 4.27Å; C509-C552 VanDerWaalsContact CA-SG 3.55Å; C509-C552 HydrophobicContact CB-CB 3.78Å; C509-C552 WeakPolarHBondContact CB-SG 3.19Å; C509-C552 WeakPolarHBondContact SG-CA 3.49Å; C509-C552 WeakPolarHBondContact SG-CB 3.41Å; C509-C552 CovalentContact SG-SG 2.02Å; C509-C552 PolarHBondContact SG-SG 3.41Å
510	M	71.4	Confident	57.4	Low	102 Å²	102	85.6 Å²	85.6	50%	0.502	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.7	-179.4	-61.2	-163.2	131.3	0	0	111.4	G557 Q558 D560	M510-G557 CarbonylContact O-C 3.53Å; M510-G557 VanDerWaalsContact O-CA 3.25Å; M510-G557 WeakPolarHBondContact O-CA 3.36Å; M510-Q558 PolarHBondContact N-O 3.04Å; M510-Q558 PolarHBondContact O-N 2.8Å; M510-D560 HydrophobicContact CG-CB 4.07Å; M510-D560 HydrophobicContact SD-CB 3.8Å
511	N	70.3	Confident	57.1	Low	83 Å²	83	88.2 Å²	88.2	44%	0.444	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.2	175	-168	-11.7	0	0	0	110.9	N513 W544	N511-N513 PolarHBondContact OD1-N 2.89Å; N511-W544 HydrophobicContact CB-CD2 4.35Å; N511-W544 HydrophobicContact CB-CH2 4.12Å; N511-W544 HydrophobicContact CB-CZ2 3.43Å; N511-W544 VanDerWaalsContact CB-CZ2 3.43Å; N511-W544 VanDerWaalsContact CG-CZ2 3.4Å
512	M	61	Low	56.9	Low	118 Å²	118	90.4 Å²	90.4	58%	0.581	52%	0.519	S	S	*	.			trans	-96.9	98.9	159.9	-79.1	-161.3	96.2	0	0	108.8	S514 Q558	M512-S514 VanDerWaalsContact C-N 3.27Å; M512-S514 WeakPolarHBondContact O-CB 3.39Å; M512-S514 PolarHBondContact O-N 3.36Å; M512-S514 PolarHBondContact O-OG 2.9Å; M512-Q558 HydrophobicContact CG-CB 4.14Å; M512-Q558 HydrophobicContact SD-CB 4.48Å; M512-Q558 PolarHBondContact SD-OE1 3.5Å
513	N	57.7	Low	56.8	Low	171 Å²	171	87.2 Å²	87.2	91%	0.914	51%	0.505	S	S	*	.	S	Bend	trans	12.9	57.1	161.5	-70.4	-6.9	0	0	0	117.8	N511	N511-N513 PolarHBondContact OD1-N 2.89Å
514	S	52	Low	56.4	Low	53 Å²	53	93.8 Å²	93.8	37%	0.371	53%	0.525	S	S	.	.			trans	-145.9	122	178.1	55.3	0	0	0	0	110.2	M512 D516	M512-S514 VanDerWaalsContact C-N 3.27Å; M512-S514 WeakPolarHBondContact O-CB 3.39Å; M512-S514 PolarHBondContact O-N 3.36Å; M512-S514 PolarHBondContact O-OG 2.9Å; S514-D516 VanDerWaalsContact C-N 3.35Å; S514-D516 PolarHBondContact O-N 3.32Å
515	T	51.8	Low	56.1	Low	131 Å²	131	96.1 Å²	96.1	80%	0.804	52%	0.519	S	S	*	.			trans	-92.5	22.5	-170.2	42.7	0	0	0	0	113.7	V517	T515-V517 VanDerWaalsContact C-N 3.35Å; T515-V517 PolarHBondContact O-N 3.17Å
516	D	50.4	Low	55.7	Low	119 Å²	119	100.5 Å²	100.5	64%	0.636	54%	0.538	S	S	*	.			trans	-88.7	72.4	-172	-66.7	-17.6	0	0	0	111.7	S514 E518	S514-D516 VanDerWaalsContact C-N 3.35Å; S514-D516 PolarHBondContact O-N 3.32Å; D516-E518 VanDerWaalsContact C-N 3.26Å; D516-E518 PolarHBondContact O-N 3.48Å
517	V	54.4	Low	55.1	Low	44 Å²	44	98 Å²	98	27%	0.267	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-79.1	-6.9	-179.6	-162.3	0	0	0	0	112.8	T515 H519 L520 T540	T515-V517 VanDerWaalsContact C-N 3.35Å; T515-V517 PolarHBondContact O-N 3.17Å; V517-H519 VanDerWaalsContact C-N 3.25Å; V517-H519 PolarHBondContact O-N 2.94Å; V517-L520 PolarHBondContact O-N 3.11Å; V517-T540 WeakPolarHBondContact CG1-O 3.42Å; V517-T540 WeakPolarHBondContact CG1-OG1 3.31Å
518	E	51.3	Low	54.4	Low	173 Å²	173	105.5 Å²	105.5	81%	0.808	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-62.7	-28.2	-176.3	-71	-167.4	154.2	0	0	113.5	D516 S521	D516-E518 VanDerWaalsContact C-N 3.26Å; D516-E518 PolarHBondContact O-N 3.48Å; E518-S521 PolarHBondContact O-OG 3.36Å
519	H	48	Very low	53.7	Low	164 Å²	164	105.2 Å²	105.2	76%	0.759	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-79.8	-20.7	-177.8	-80.3	-64.5	0	0	0	115.4	V517	V517-H519 VanDerWaalsContact C-N 3.25Å; V517-H519 PolarHBondContact O-N 2.94Å
520	L	50.6	Low	53.2	Low	28 Å²	28	107.8 Å²	107.8	15%	0.147	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-78.7	-24.8	-177.8	-82.6	147.3	0	0	0	112.9	V517 A522 I523 I542 A555	V517-L520 PolarHBondContact O-N 3.11Å; L520-A522 PolarHBondContact O-N 2.97Å; L520-I523 HydrophobicContact CD2-CD1 4.48Å; L520-I523 PolarHBondContact O-N 2.99Å; L520-I523 VanDerWaalsContact O-N 3.11Å; L520-I542 HydrophobicContact CD1-CD1 3.32Å; L520-I542 HydrophobicContact CD1-CG1 4.09Å; L520-A555 HydrophobicContact CD1-CB 4.42Å; L520-A555 HydrophobicContact CD2-CB 4.34Å
521	S	46.9	Very low	52.7	Low	92 Å²	92	105.8 Å²	105.8	64%	0.643	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-63.9	-18.6	177.4	70.2	0	0	0	0	114.1	E518 I523	E518-S521 PolarHBondContact O-OG 3.36Å; S521-I523 VanDerWaalsContact C-N 3.32Å
522	A	45.9	Very low	52.4	Low	84 Å²	84	106 Å²	106	69%	0.694	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-78.4	-13.2	176.1	0	0	0	0	0	113.5	L520 K524	L520-A522 PolarHBondContact O-N 2.97Å; A522-K524 PolarHBondContact O-N 3.41Å; A522-K524 VanDerWaalsContact O-N 3.12Å
523	I	48.5	Very low	52.4	Low	76 Å²	76	106.4 Å²	106.4	39%	0.39	56%	0.561	S	S	.	*			trans	-90.9	57.8	179.5	-48.9	-179.5	0	0	0	109.1	L520 S521 W525 T527	L520-I523 HydrophobicContact CD2-CD1 4.48Å; L520-I523 PolarHBondContact O-N 2.99Å; L520-I523 VanDerWaalsContact O-N 3.11Å; S521-I523 VanDerWaalsContact C-N 3.32Å; I523-W525 PolarHBondContact O-N 3.42Å; I523-T527 VanDerWaalsContact O-CG2 3.25Å; I523-T527 WeakPolarHBondContact O-CG2 3.44Å
524	K	44.9	Very low	52.6	Low	170 Å²	170	100.2 Å²	100.2	74%	0.739	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	23	-166.7	-151.2	173.9	-176.1	172.1	0	116.3	A522	A522-K524 PolarHBondContact O-N 3.41Å; A522-K524 VanDerWaalsContact O-N 3.12Å
525	W	42.7	Very low	52.9	Low	241 Å²	241	103.7 Å²	103.7	91%	0.913	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	7.2	-170.1	-68.4	92.2	0	0	0	115.8	I523	I523-W525 PolarHBondContact O-N 3.42Å
526	N	46.8	Very low	53.3	Low	111 Å²	111	102.1 Å²	102.1	59%	0.594	54%	0.544	S	S	*	.	S	Bend	trans	-159	20.6	-179.8	-127.2	30.3	0	0	0	115
527	T	51.9	Low	53.8	Low	38 Å²	38	100.2 Å²	100.2	23%	0.233	54%	0.537	C	S	.	.			trans	-91.4	-7.7	-162.6	36.6	0	0	0	0	115.7	I523 G529 L531	I523-T527 VanDerWaalsContact O-CG2 3.25Å; I523-T527 WeakPolarHBondContact O-CG2 3.44Å; T527-G529 PolarHBondContact O-N 3.11Å; T527-L531 HydrophobicContact CG2-CD1 3.52Å
528	D	52.8	Low	54	Low	165 Å²	165	106 Å²	106	88%	0.882	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	7.5	-165.8	-56.9	-10.5	0	0	0	114.8
529	G	55.7	Low	54.4	Low	37 Å²	37	100 Å²	100	38%	0.381	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-26.3	-176.9	0	0	0	0	0	116.3	T527 K546	T527-G529 PolarHBondContact O-N 3.11Å; G529-K546 VanDerWaalsContact O-CD 3.3Å; G529-K546 WeakPolarHBondContact O-CD 3.33Å
530	W	62.6	Low	55.1	Low	64 Å²	64	95 Å²	95	24%	0.242	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	3.7	-165.9	-38.8	-35.6	0	0	0	113.4	I542 D543 K546 L547 P548 Y551	W530-I542 CarbonylContact O-C 3.45Å; W530-I542 WeakPolarHBondContact O-CA 3.09Å; W530-D543 PolarHBondContact O-N 3.44Å; W530-K546 HydrophobicContact CB-CB 4.45Å; W530-K546 VanDerWaalsContact CE2-O 3.25Å; W530-K546 HydrophobicContact CG-CB 4.04Å; W530-K546 PolarHBondContact NE1-O 3.22Å; W530-L547 HydrophobicContact CD2-CD1 4.28Å; W530-L547 HydrophobicContact CE3-CD1 3.51Å; W530-L547 HydrophobicContact CZ3-CD1 4.12Å; W530-P548 HydrophobicContact CD2-CG 4.49Å; W530-P548 VanDerWaalsContact CE2-CD 3.42Å; W530-P548 HydrophobicContact CE3-CG 4.34Å; W530-P548 HydrophobicContact CH2-CB 4.45Å; W530-P548 HydrophobicContact CH2-CG 3.01Å; W530-P548 HydrophobicContact CZ2-CG 3.15Å; W530-P548 HydrophobicContact CZ3-CG 3.64Å; W530-Y551 HydrophobicContact CH2-CD2 4.23Å; W530-Y551 HydrophobicContact CH2-CE2 4.32Å; W530-Y551 AromaticContact CZ3-CD2 3.98Å; W530-Y551 HydrophobicContact CZ3-CD2 3.98Å; W530-Y551 HydrophobicContact CZ3-CE2 4.38Å; W530-Y551 HydrophobicContact CZ3-CG 4.42Å
531	L	60.9	Low	55.7	Low	59 Å²	59	96.9 Å²	96.9	31%	0.309	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128	173	-83.4	140.5	0	0	0	107.5	T527 L541	T527-L531 HydrophobicContact CG2-CD1 3.52Å; L531-L541 WeakPolarHBondContact CA-O 3.37Å
532	F	64.4	Low	56.5	Low	89 Å²	89	93.5 Å²	93.5	39%	0.39	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.4	171.9	66.7	-86.3	0	0	0	109.5	L541 D543	F532-L541 HydrophobicContact CD1-CB 4.31Å; F532-L541 HydrophobicContact CD2-CB 4.24Å; F532-L541 HydrophobicContact CE1-CB 3.74Å; F532-L541 HydrophobicContact CE2-CB 3.66Å; F532-L541 HydrophobicContact CE2-CD2 4.46Å; F532-L541 HydrophobicContact CZ-CB 3.39Å; F532-L541 HydrophobicContact CZ-CD2 4.01Å; F532-L541 HydrophobicContact CZ-CG 4.29Å; F532-L541 PolarHBondContact N-O 3.27Å; F532-L541 PolarHBondContact O-N 3.27Å; F532-D543 HydrophobicContact CD1-CB 3.98Å; F532-D543 HydrophobicContact CE1-CB 4.12Å
533	D	60.9	Low	57.6	Low	126 Å²	126	91.2 Å²	91.2	67%	0.674	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.8	172.7	-70.6	-33.9	0	0	0	108.6	P535 T540	D533-P535 VanDerWaalsContact O-CD 3.28Å; D533-P535 WeakPolarHBondContact O-CD 3.32Å; D533-T540 WeakPolarHBondContact OD1-CG2 3.3Å
534	D	61.1	Low	58.7	Low	40 Å²	40	90.2 Å²	90.2	21%	0.214	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.9	172.7	178.4	8.8	0	0	0	109.2	S536 T537 N538 S539 L541	D534-S536 PolarHBondContact O-N 3.37Å; D534-S536 VanDerWaalsContact O-N 3.08Å; D534-S536 WeakPolarHBondContact OD1-CB 3.1Å; D534-S536 PolarHBondContact OD1-N 3.42Å; D534-S536 PolarHBondContact OD1-OG 3.02Å; D534-S536 PolarHBondContact OD2-OG 3.44Å; D534-T537 WeakPolarHBondContact CB-OG1 3.15Å; D534-T537 VanDerWaalsContact CG-OG1 3.32Å; D534-T537 PolarHBondContact O-N 2.95Å; D534-T537 PolarHBondContact OD2-OG1 3.42Å; D534-N538 PolarHBondContact O-N 2.75Å; D534-S539 PolarHBondContact N-O 3.31Å; D534-S539 VanDerWaalsContact N-O 3.07Å; D534-L541 HydrophobicContact CB-CD1 3.76Å
535	P	58.6	Low	59.7	Low	126 Å²	126	89.5 Å²	89.5	82%	0.818	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.6	-177.4	27	-33.5	0	0	0	113	D533	D533-P535 VanDerWaalsContact O-CD 3.28Å; D533-P535 WeakPolarHBondContact O-CD 3.32Å
536	S	60	Low	60.7	Low	98 Å²	98	84 Å²	84	69%	0.685	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.3	179.2	71.5	0	0	0	0	114	D534	D534-S536 PolarHBondContact O-N 3.37Å; D534-S536 VanDerWaalsContact O-N 3.08Å; D534-S536 WeakPolarHBondContact OD1-CB 3.1Å; D534-S536 PolarHBondContact OD1-N 3.42Å; D534-S536 PolarHBondContact OD1-OG 3.02Å; D534-S536 PolarHBondContact OD2-OG 3.44Å
537	T	59.8	Low	61.7	Low	79 Å²	79	79.4 Å²	79.4	49%	0.485	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-0.8	-172.1	52.4	0	0	0	0	114.7	D534 S539	D534-T537 WeakPolarHBondContact CB-OG1 3.15Å; D534-T537 VanDerWaalsContact CG-OG1 3.32Å; D534-T537 PolarHBondContact O-N 2.95Å; D534-T537 PolarHBondContact OD2-OG1 3.42Å; T537-S539 PolarHBondContact O-N 3.17Å; T537-S539 VanDerWaalsContact O-N 3.13Å; T537-S539 PolarHBondContact OG1-OG 2.58Å
538	N	59.2	Low	62.3	Low	167 Å²	167	79.6 Å²	79.6	89%	0.893	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.6	-173.7	-92.7	-5.5	0	0	0	112	D534	D534-N538 PolarHBondContact O-N 2.75Å
539	S	60.1	Low	63	Low	45 Å²	45	74 Å²	74	32%	0.315	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	-177.5	72	0	0	0	0	110.7	D534 T537 L541	D534-S539 PolarHBondContact N-O 3.31Å; D534-S539 VanDerWaalsContact N-O 3.07Å; T537-S539 PolarHBondContact O-N 3.17Å; T537-S539 VanDerWaalsContact O-N 3.13Å; T537-S539 PolarHBondContact OG1-OG 2.58Å; S539-L541 PolarHBondContact O-N 2.86Å; S539-L541 VanDerWaalsContact OG-CD1 3.24Å; S539-L541 WeakPolarHBondContact OG-CD1 3.39Å
540	T	62.3	Low	63.4	Low	60 Å²	60	77.8 Å²	77.8	37%	0.368	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.9	171.8	47.1	0	0	0	0	107.9	V517 D533	V517-T540 WeakPolarHBondContact CG1-O 3.42Å; V517-T540 WeakPolarHBondContact CG1-OG1 3.31Å; D533-T540 WeakPolarHBondContact OD1-CG2 3.3Å
541	L	63.2	Low	63.6	Low	67 Å²	67	78.7 Å²	78.7	35%	0.351	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151	173.6	-94.1	94.5	0	0	0	111.4	L531 F532 D534 S539	L531-L541 WeakPolarHBondContact CA-O 3.37Å; F532-L541 HydrophobicContact CD1-CB 4.31Å; F532-L541 HydrophobicContact CD2-CB 4.24Å; F532-L541 HydrophobicContact CE1-CB 3.74Å; F532-L541 HydrophobicContact CE2-CB 3.66Å; F532-L541 HydrophobicContact CE2-CD2 4.46Å; F532-L541 HydrophobicContact CZ-CB 3.39Å; F532-L541 HydrophobicContact CZ-CD2 4.01Å; F532-L541 HydrophobicContact CZ-CG 4.29Å; F532-L541 PolarHBondContact N-O 3.27Å; F532-L541 PolarHBondContact O-N 3.27Å; D534-L541 HydrophobicContact CB-CD1 3.76Å; S539-L541 PolarHBondContact O-N 2.86Å; S539-L541 VanDerWaalsContact OG-CD1 3.24Å; S539-L541 WeakPolarHBondContact OG-CD1 3.39Å
542	I	65.2	Low	64.1	Low	22 Å²	22	75.9 Å²	75.9	11%	0.113	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126	177	-52.3	171	0	0	0	108.6	L520 W530 W544 L547 A555	L520-I542 HydrophobicContact CD1-CD1 3.32Å; L520-I542 HydrophobicContact CD1-CG1 4.09Å; W530-I542 CarbonylContact O-C 3.45Å; W530-I542 WeakPolarHBondContact O-CA 3.09Å; I542-W544 HydrophobicContact CB-CZ2 4.46Å; I542-W544 HydrophobicContact CD1-CH2 4.36Å; I542-W544 HydrophobicContact CD1-CZ2 4.33Å; I542-W544 PolarHBondContact O-N 3.28Å; I542-W544 PolarHBondContact O-NE1 3.04Å; I542-L547 HydrophobicContact CG2-CD2 4.33Å; I542-A555 HydrophobicContact CD1-CB 4.2Å
543	D	68.9	Low	64.3	Low	35 Å²	35	77.4 Å²	77.4	19%	0.187	42%	0.423	C	S	.	.			trans	-79.9	92.7	169.9	-167	-10.6	0	0	0	109.3	W530 F532 D545 K546 L547	W530-D543 PolarHBondContact O-N 3.44Å; F532-D543 HydrophobicContact CD1-CB 3.98Å; F532-D543 HydrophobicContact CE1-CB 4.12Å; D543-D545 PolarHBondContact O-N 2.85Å; D543-K546 PolarHBondContact O-N 3.39Å; D543-K546 VanDerWaalsContact O-N 3.16Å; D543-K546 VanDerWaalsContact OD2-CD 3.28Å; D543-K546 WeakPolarHBondContact OD2-CD 3.4Å; D543-K546 VanDerWaalsContact OD2-CE 3.28Å; D543-K546 WeakPolarHBondContact OD2-CE 3.5Å; D543-K546 IonicContact OD2-NZ 3.38Å; D543-K546 PolarHBondContact OD2-NZ 3.37Å; D543-L547 PolarHBondContact O-N 3.43Å
544	W	70.3	Confident	64.5	Low	56 Å²	56	74.6 Å²	74.6	21%	0.212	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	-176.2	-61.6	97.3	0	0	0	113.5	C509 N511 I542 L547	C509-W544 HydrophobicContact CB-CE3 4.27Å; N511-W544 HydrophobicContact CB-CD2 4.35Å; N511-W544 HydrophobicContact CB-CH2 4.12Å; N511-W544 HydrophobicContact CB-CZ2 3.43Å; N511-W544 VanDerWaalsContact CB-CZ2 3.43Å; N511-W544 VanDerWaalsContact CG-CZ2 3.4Å; I542-W544 HydrophobicContact CB-CZ2 4.46Å; I542-W544 HydrophobicContact CD1-CH2 4.36Å; I542-W544 HydrophobicContact CD1-CZ2 4.33Å; I542-W544 PolarHBondContact O-N 3.28Å; I542-W544 PolarHBondContact O-NE1 3.04Å; W544-L547 HydrophobicContact CE3-CD2 4.05Å; W544-L547 HydrophobicContact CZ3-CD2 4.12Å
545	D	65.7	Low	64.7	Low	154 Å²	154	73 Å²	73	82%	0.824	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.4	-179.4	-76	-21.5	0	0	0	112.9	D543	D543-D545 PolarHBondContact O-N 2.85Å
546	K	65.3	Low	65.1	Low	125 Å²	125	70.2 Å²	70.2	54%	0.543	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-14.8	178.6	-58.3	-175.6	-175.3	124.4	0	113	G529 W530 D543 P548	G529-K546 VanDerWaalsContact O-CD 3.3Å; G529-K546 WeakPolarHBondContact O-CD 3.33Å; W530-K546 HydrophobicContact CB-CB 4.45Å; W530-K546 VanDerWaalsContact CE2-O 3.25Å; W530-K546 HydrophobicContact CG-CB 4.04Å; W530-K546 PolarHBondContact NE1-O 3.22Å; D543-K546 PolarHBondContact O-N 3.39Å; D543-K546 VanDerWaalsContact O-N 3.16Å; D543-K546 VanDerWaalsContact OD2-CD 3.28Å; D543-K546 WeakPolarHBondContact OD2-CD 3.4Å; D543-K546 VanDerWaalsContact OD2-CE 3.28Å; D543-K546 WeakPolarHBondContact OD2-CE 3.5Å; D543-K546 IonicContact OD2-NZ 3.38Å; D543-K546 PolarHBondContact OD2-NZ 3.37Å; K546-P548 WeakPolarHBondContact O-CD 3.03Å
547	L	66.1	Low	65.5	Low	15 Å²	15	66 Å²	66	8%	0.079	37%	0.365	C	S	.	.	S	Bend	trans	-64.5	120	177.2	-171.5	68.8	0	0	0	111.1	W530 I542 D543 W544 L549 A555	W530-L547 HydrophobicContact CD2-CD1 4.28Å; W530-L547 HydrophobicContact CE3-CD1 3.51Å; W530-L547 HydrophobicContact CZ3-CD1 4.12Å; I542-L547 HydrophobicContact CG2-CD2 4.33Å; D543-L547 PolarHBondContact O-N 3.43Å; W544-L547 HydrophobicContact CE3-CD2 4.05Å; W544-L547 HydrophobicContact CZ3-CD2 4.12Å; L547-L549 PolarHBondContact O-N 3.27Å; L547-A555 HydrophobicContact CD2-CB 3.77Å
548	P	65.7	Low	66.2	Low	42 Å²	42	67.1 Å²	67.1	27%	0.273	37%	0.365	S	S	.	.			trans	-65.3	138.5	174.7	-12.6	25.3	0	0	0	109	W530 K546 D550 Y551	W530-P548 HydrophobicContact CD2-CG 4.49Å; W530-P548 VanDerWaalsContact CE2-CD 3.42Å; W530-P548 HydrophobicContact CE3-CG 4.34Å; W530-P548 HydrophobicContact CH2-CB 4.45Å; W530-P548 HydrophobicContact CH2-CG 3.01Å; W530-P548 HydrophobicContact CZ2-CG 3.15Å; W530-P548 HydrophobicContact CZ3-CG 3.64Å; K546-P548 WeakPolarHBondContact O-CD 3.03Å; P548-D550 PolarHBondContact O-N 3.35Å; P548-Y551 HydrophobicContact CB-CD2 4.12Å; P548-Y551 HydrophobicContact CG-CD2 3.97Å; P548-Y551 HydrophobicContact CG-CE2 4.44Å; P548-Y551 PolarHBondContact O-N 2.99Å
549	L	66.7	Low	66.9	Low	47 Å²	47	61.3 Å²	61.3	25%	0.246	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-53.8	-27.7	-176.7	-71.3	92.2	0	0	0	113.5	L500 C507 L547 Y551 C552 L559	L500-L549 HydrophobicContact CB-CD2 4.36Å; L500-L549 HydrophobicContact CD1-CB 3.99Å; L500-L549 HydrophobicContact CD1-CD2 4.27Å; C507-L549 HydrophobicContact CB-CD2 3.83Å; C507-L549 WeakPolarHBondContact SG-CD2 3.2Å; L547-L549 PolarHBondContact O-N 3.27Å; L549-Y551 PolarHBondContact O-N 3.31Å; L549-C552 VanDerWaalsContact O-CB 3.27Å; L549-C552 WeakPolarHBondContact O-CB 3.31Å; L549-C552 PolarHBondContact O-N 3.32Å; L549-L559 HydrophobicContact CB-CD2 4.12Å; L549-L559 HydrophobicContact CD2-CD2 3.77Å; L549-L559 HydrophobicContact CG-CD2 4.21Å
550	D	64.6	Low	67.4	Low	118 Å²	118	63.8 Å²	63.8	63%	0.631	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-62.6	-25.4	176.4	-68.1	-19.9	0	0	0	113.6	P548	P548-D550 PolarHBondContact O-N 3.35Å
551	Y	66.4	Low	67.7	Low	82 Å²	82	62.3 Å²	62.3	32%	0.322	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-100.2	-2.7	179.2	-66.1	-82.2	0	0	0	113.2	W530 P548 L549 N553 A554 A555	W530-Y551 HydrophobicContact CH2-CD2 4.23Å; W530-Y551 HydrophobicContact CH2-CE2 4.32Å; W530-Y551 AromaticContact CZ3-CD2 3.98Å; W530-Y551 HydrophobicContact CZ3-CD2 3.98Å; W530-Y551 HydrophobicContact CZ3-CE2 4.38Å; W530-Y551 HydrophobicContact CZ3-CG 4.42Å; P548-Y551 HydrophobicContact CB-CD2 4.12Å; P548-Y551 HydrophobicContact CG-CD2 3.97Å; P548-Y551 HydrophobicContact CG-CE2 4.44Å; P548-Y551 PolarHBondContact O-N 2.99Å; L549-Y551 PolarHBondContact O-N 3.31Å; Y551-N553 PolarHBondContact O-N 2.87Å; Y551-A554 CarbonylContact O-C 3.58Å; Y551-A554 WeakPolarHBondContact O-CA 3.22Å; Y551-A554 WeakPolarHBondContact O-CB 3.22Å; Y551-A554 PolarHBondContact O-N 3.43Å; Y551-A555 WeakPolarHBondContact O-CB 3.39Å; Y551-A555 PolarHBondContact O-N 3.1Å
552	C	71.4	Confident	67.9	Low	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-55.7	-52	-177.3	-173.9	0	0	0	0	112.2	C509 L549 A554 A555 S556 G557 L559	C509-C552 VanDerWaalsContact CA-SG 3.55Å; C509-C552 HydrophobicContact CB-CB 3.78Å; C509-C552 WeakPolarHBondContact CB-SG 3.19Å; C509-C552 WeakPolarHBondContact SG-CA 3.49Å; C509-C552 WeakPolarHBondContact SG-CB 3.41Å; C509-C552 CovalentContact SG-SG 2.02Å; C509-C552 PolarHBondContact SG-SG 3.41Å; L549-C552 VanDerWaalsContact O-CB 3.27Å; L549-C552 WeakPolarHBondContact O-CB 3.31Å; L549-C552 PolarHBondContact O-N 3.32Å; C552-A554 PolarHBondContact O-N 3.25Å; C552-A555 PolarHBondContact O-N 2.91Å; C552-A555 VanDerWaalsContact O-N 3.17Å; C552-S556 PolarHBondContact O-N 3.41Å; C552-G557 WeakPolarHBondContact O-CA 3.06Å; C552-G557 PolarHBondContact O-N 3.23Å; C552-L559 HydrophobicContact CB-CD2 4.18Å; C552-L559 HydrophobicContact CB-CG 4.23Å
553	N	69.3	Low	67.8	Low	122 Å²	122	64.7 Å²	64.7	65%	0.652	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67	-23.5	177.1	-68.4	-10.1	0	0	0	113.2	Y551	Y551-N553 PolarHBondContact O-N 2.87Å
554	A	65.4	Low	67.6	Low	66 Å²	66	64.9 Å²	64.9	55%	0.545	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-82.8	-21.1	177.9	0	0	0	0	0	112.4	Y551 C552	Y551-A554 CarbonylContact O-C 3.58Å; Y551-A554 WeakPolarHBondContact O-CA 3.22Å; Y551-A554 WeakPolarHBondContact O-CB 3.22Å; Y551-A554 PolarHBondContact O-N 3.43Å; C552-A554 PolarHBondContact O-N 3.25Å
555	A	63.9	Low	67.3	Low	6 Å²	6	67.7 Å²	67.7	5%	0.05	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-98.2	18.1	176.1	0	0	0	0	0	112.6	L520 I542 L547 Y551 C552 G557	L520-A555 HydrophobicContact CD1-CB 4.42Å; L520-A555 HydrophobicContact CD2-CB 4.34Å; I542-A555 HydrophobicContact CD1-CB 4.2Å; L547-A555 HydrophobicContact CD2-CB 3.77Å; Y551-A555 WeakPolarHBondContact O-CB 3.39Å; Y551-A555 PolarHBondContact O-N 3.1Å; C552-A555 PolarHBondContact O-N 2.91Å; C552-A555 VanDerWaalsContact O-N 3.17Å; A555-G557 PolarHBondContact O-N 3.46Å
556	S	67.6	Low	67.1	Low	68 Å²	68	66.5 Å²	66.5	48%	0.476	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	22.5	-176.3	-54.3	0	0	0	0	115	C552	C552-S556 PolarHBondContact O-N 3.41Å
557	G	68.9	Low	67	Low	9 Å²	9	62.8 Å²	62.8	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154.2	174	0	0	0	0	0	113.2	M510 C552 A555	M510-G557 CarbonylContact O-C 3.53Å; M510-G557 VanDerWaalsContact O-CA 3.25Å; M510-G557 WeakPolarHBondContact O-CA 3.36Å; C552-G557 WeakPolarHBondContact O-CA 3.06Å; C552-G557 PolarHBondContact O-N 3.23Å; A555-G557 PolarHBondContact O-N 3.46Å
558	Q	74.1	Confident	67.4	Low	104 Å²	104	68.1 Å²	68.1	49%	0.486	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.7	171	-173.3	175.8	-11.6	0	0	109.7	M510 M512 D560	M510-Q558 PolarHBondContact N-O 3.04Å; M510-Q558 PolarHBondContact O-N 2.8Å; M512-Q558 HydrophobicContact CG-CB 4.14Å; M512-Q558 HydrophobicContact SD-CB 4.48Å; M512-Q558 PolarHBondContact SD-OE1 3.5Å; Q558-D560 PolarHBondContact O-N 3.13Å
559	L	73.2	Confident	68	Low	45 Å²	45	70.7 Å²	70.7	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.3	172.2	-72.6	154.4	0	0	0	109	L500 L549 C552	L500-L559 HydrophobicContact CD1-CD1 4.17Å; L500-L559 HydrophobicContact CD1-CD2 4.14Å; L549-L559 HydrophobicContact CB-CD2 4.12Å; L549-L559 HydrophobicContact CD2-CD2 3.77Å; L549-L559 HydrophobicContact CG-CD2 4.21Å; C552-L559 HydrophobicContact CB-CD2 4.18Å; C552-L559 HydrophobicContact CB-CG 4.23Å
560	D	70.7	Confident	68.5	Low	96 Å²	96	70.3 Å²	70.3	51%	0.513	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.4	176.3	-160	13	0	0	0	111.2	A508 M510 Q558 C564	A508-D560 PolarHBondContact N-O 2.68Å; A508-D560 PolarHBondContact O-N 2.89Å; M510-D560 HydrophobicContact CG-CB 4.07Å; M510-D560 HydrophobicContact SD-CB 3.8Å; Q558-D560 PolarHBondContact O-N 3.13Å; D560-C564 VanDerWaalsContact C-SG 3.59Å
561	G	69.8	Low	69.4	Low	29 Å²	29	66.7 Å²	66.7	30%	0.299	36%	0.356	S	S	.	.	S	Bend	trans	145.3	146.2	-174	0	0	0	0	0	114.6	S506 A563 C564	S506-G561 WeakPolarHBondContact O-CA 3.38Å; G561-A563 PolarHBondContact O-N 2.87Å; G561-A563 VanDerWaalsContact O-N 3.13Å; G561-C564 PolarHBondContact O-N 3.08Å
562	T	66.5	Low	70.3	Confident	134 Å²	134	67.6 Å²	67.6	82%	0.822	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.8	-178.9	53.8	0	0	0	0	113.7
563	A	64.3	Low	70.9	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.041	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	12.4	-179.5	0	0	0	0	0	114.1	G505 G561 Y565	G505-A563 WeakPolarHBondContact O-CB 3.22Å; G561-A563 PolarHBondContact O-N 2.87Å; G561-A563 VanDerWaalsContact O-N 3.13Å; A563-Y565 VanDerWaalsContact C-N 3.3Å; A563-Y565 PolarHBondContact O-N 3.47Å
564	C	64	Low	71.7	Confident	40 Å²	40	62.5 Å²	62.5	27%	0.27	34%	0.34	S	S	.	.			trans	-79.8	66.7	-179.2	-65.1	0	0	0	0	113.3	L500 C507 D560 G561	L500-C564 HydrophobicContact CD2-CB 4.45Å; C507-C564 VanDerWaalsContact CA-SG 3.51Å; C507-C564 HydrophobicContact CB-CB 4.22Å; C507-C564 WeakPolarHBondContact CB-SG 3.35Å; C507-C564 WeakPolarHBondContact SG-CA 3.34Å; C507-C564 WeakPolarHBondContact SG-CB 3.18Å; C507-C564 CovalentContact SG-SG 2.03Å; C507-C564 PolarHBondContact SG-SG 3.3Å; D560-C564 VanDerWaalsContact C-SG 3.59Å; G561-C564 PolarHBondContact O-N 3.08Å
565	Y	64.2	Low	72.8	Confident	115 Å²	115	60.8 Å²	60.8	45%	0.451	32%	0.323	S	S	.	.			trans	-120.5	143.7	171.1	57.9	-87.7	0	0	0	111.9	A563 M567	A563-Y565 VanDerWaalsContact C-N 3.3Å; A563-Y565 PolarHBondContact O-N 3.47Å; Y565-M567 HydrophobicContact CD2-CG 4.21Å; Y565-M567 HydrophobicContact CE2-CE 3.91Å; Y565-M567 HydrophobicContact CE2-CG 3.81Å; Y565-M567 PolarHBondContact O-N 2.88Å
566	K	62	Low	74	Confident	128 Å²	128	65 Å²	65	56%	0.557	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-68.6	120.4	170.5	-77.4	-177.4	177	-179.9	0	108.7	Y568	K566-Y568 HydrophobicContact CB-CE1 4.45Å; K566-Y568 HydrophobicContact CB-CE2 3.97Å; K566-Y568 VanDerWaalsContact O-CD2 3.31Å; K566-Y568 WeakPolarHBondContact O-CD2 3.4Å; K566-Y568 PolarHBondContact O-N 3.34Å; K566-Y568 VanDerWaalsContact O-N 3.13Å
567	M	62.2	Low	75.1	Confident	47 Å²	47	63.1 Å²	63.1	23%	0.232	33%	0.328	C	S	.	.			trans	-75.3	101.5	174	-79.6	-166	164.5	0	0	110.5	S501 Y565 D569	S501-M567 WeakPolarHBondContact CB-SD 3.35Å; S501-M567 WeakPolarHBondContact OG-CE 3.46Å; Y565-M567 HydrophobicContact CD2-CG 4.21Å; Y565-M567 HydrophobicContact CE2-CE 3.91Å; Y565-M567 HydrophobicContact CE2-CG 3.81Å; Y565-M567 PolarHBondContact O-N 2.88Å; M567-D569 VanDerWaalsContact C-N 3.26Å
568	Y	74	Confident	75.9	Confident	128 Å²	128	65.6 Å²	65.6	50%	0.502	34%	0.341	S	S	.	.			trans	-79.7	-8.8	174.1	-64.5	-72.7	0	0	0	113.1	L495 K566 V570 F571 L572	L495-Y568 HydrophobicContact CD1-CD1 3.99Å; L495-Y568 HydrophobicContact CD1-CE1 3.95Å; K566-Y568 HydrophobicContact CB-CE1 4.45Å; K566-Y568 HydrophobicContact CB-CE2 3.97Å; K566-Y568 VanDerWaalsContact O-CD2 3.31Å; K566-Y568 WeakPolarHBondContact O-CD2 3.4Å; K566-Y568 PolarHBondContact O-N 3.34Å; K566-Y568 VanDerWaalsContact O-N 3.13Å; Y568-V570 VanDerWaalsContact C-N 3.31Å; Y568-V570 PolarHBondContact O-N 2.89Å; Y568-F571 PolarHBondContact O-N 3.45Å; Y568-F571 VanDerWaalsContact O-N 3.1Å; Y568-L572 WeakPolarHBondContact O-CB 3.41Å; Y568-L572 PolarHBondContact O-N 3.31Å
569	D	78.9	Confident	76.8	Confident	95 Å²	95	66.5 Å²	66.5	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-40	-175.3	-59.1	-15.4	0	0	0	112.1	M567 L572 A573	M567-D569 VanDerWaalsContact C-N 3.26Å; D569-L572 PolarHBondContact O-N 3.27Å; D569-A573 VanDerWaalsContact O-CB 3.22Å; D569-A573 WeakPolarHBondContact O-CB 3.43Å; D569-A573 PolarHBondContact O-N 2.94Å
570	V	77.7	Confident	77.8	Confident	39 Å²	39	65.1 Å²	65.1	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-66.3	-39.6	177.2	-178.6	0	0	0	0	111.5	Y568 S574	Y568-V570 VanDerWaalsContact C-N 3.31Å; Y568-V570 PolarHBondContact O-N 2.89Å; V570-S574 WeakPolarHBondContact O-CB 3.38Å; V570-S574 PolarHBondContact O-N 3.27Å; V570-S574 PolarHBondContact O-OG 2.69Å
571	F	82.3	Confident	78.7	Confident	43 Å²	43	62.4 Å²	62.4	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-47.6	177	174.3	-99.8	0	0	0	110.7	L491 I494 L495 Y568 A573 S574 V575	L491-F571 WeakPolarHBondContact O-CE2 3.47Å; I494-F571 HydrophobicContact CB-CD2 4.39Å; I494-F571 HydrophobicContact CG2-CD2 4.46Å; L495-F571 HydrophobicContact CB-CD2 4.01Å; L495-F571 HydrophobicContact CB-CE2 4.04Å; L495-F571 HydrophobicContact CD1-CB 4.49Å; L495-F571 HydrophobicContact CD1-CD1 4.11Å; L495-F571 HydrophobicContact CD1-CD2 4.16Å; L495-F571 HydrophobicContact CD1-CE1 4.39Å; L495-F571 HydrophobicContact CD1-CE2 4.43Å; L495-F571 HydrophobicContact CD1-CG 3.99Å; Y568-F571 PolarHBondContact O-N 3.45Å; Y568-F571 VanDerWaalsContact O-N 3.1Å; F571-A573 VanDerWaalsContact C-N 3.34Å; F571-A573 PolarHBondContact O-N 2.64Å; F571-S574 WeakPolarHBondContact O-CB 3.44Å; F571-S574 PolarHBondContact O-N 2.97Å; F571-S574 VanDerWaalsContact O-N 3.12Å; F571-V575 HydrophobicContact CD1-CG2 4.18Å; F571-V575 HydrophobicContact CE1-CG2 3.76Å; F571-V575 HydrophobicContact CE2-CG2 4.16Å; F571-V575 HydrophobicContact CZ-CG2 3.75Å; F571-V575 WeakPolarHBondContact O-CG2 3.41Å; F571-V575 PolarHBondContact O-N 3.24Å
572	L	85.2	Confident	79.7	Confident	100 Å²	100	67.6 Å²	67.6	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-44.5	178.2	-176.2	66.2	0	0	0	111.2	Y568 D569 S574 V575 I576	Y568-L572 WeakPolarHBondContact O-CB 3.41Å; Y568-L572 PolarHBondContact O-N 3.31Å; D569-L572 PolarHBondContact O-N 3.27Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3.08Å; L572-V575 WeakPolarHBondContact O-CB 3.44Å; L572-V575 PolarHBondContact O-N 2.63Å; L572-I576 HydrophobicContact CD1-CD1 4.5Å; L572-I576 HydrophobicContact CG-CD1 4.01Å; L572-I576 VanDerWaalsContact O-CG1 3.28Å; L572-I576 WeakPolarHBondContact O-CG1 3.43Å; L572-I576 PolarHBondContact O-N 2.96Å
573	A	85.1	Confident	81	Confident	6 Å²	6	64.5 Å²	64.5	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-41.8	174.2	0	0	0	0	0	112	D569 F571 V575 I576 L577 L626 T628	D569-A573 VanDerWaalsContact O-CB 3.22Å; D569-A573 WeakPolarHBondContact O-CB 3.43Å; D569-A573 PolarHBondContact O-N 2.94Å; F571-A573 VanDerWaalsContact C-N 3.34Å; F571-A573 PolarHBondContact O-N 2.64Å; A573-V575 VanDerWaalsContact C-N 3.34Å; A573-V575 PolarHBondContact O-N 3.17Å; A573-I576 PolarHBondContact O-N 2.93Å; A573-L577 WeakPolarHBondContact O-CB 3.09Å; A573-L577 VanDerWaalsContact O-CG 3.28Å; A573-L577 WeakPolarHBondContact O-CG 3.39Å; A573-L577 PolarHBondContact O-N 2.93Å; A573-L626 HydrophobicContact CB-CD1 3.42Å; A573-L626 VanDerWaalsContact CB-CD1 3.42Å; A573-T628 HydrophobicContact CB-CG2 4.49Å
574	S	84.9	Confident	82.3	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-41.4	175.4	-59.3	0	0	0	0	112	V570 F571 L572 L577 V578	V570-S574 WeakPolarHBondContact O-CB 3.38Å; V570-S574 PolarHBondContact O-N 3.27Å; V570-S574 PolarHBondContact O-OG 2.69Å; F571-S574 WeakPolarHBondContact O-CB 3.44Å; F571-S574 PolarHBondContact O-N 2.97Å; F571-S574 VanDerWaalsContact O-N 3.12Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3.08Å; S574-L577 PolarHBondContact O-N 3.49Å; S574-V578 VanDerWaalsContact O-CG2 3.29Å; S574-V578 WeakPolarHBondContact O-CG2 3.46Å; S574-V578 PolarHBondContact O-N 3.33Å
575	V	88.8	Confident	83.5	Confident	31 Å²	31	65.4 Å²	65.4	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-47.5	174.4	173.3	0	0	0	0	110.5	L491 F571 L572 A573 L577 V578 F579	L491-V575 HydrophobicContact CD1-CG2 3.94Å; L491-V575 HydrophobicContact CD2-CG2 4.17Å; L491-V575 HydrophobicContact CG-CG2 4.24Å; F571-V575 HydrophobicContact CD1-CG2 4.18Å; F571-V575 HydrophobicContact CE1-CG2 3.76Å; F571-V575 HydrophobicContact CE2-CG2 4.16Å; F571-V575 HydrophobicContact CZ-CG2 3.75Å; F571-V575 WeakPolarHBondContact O-CG2 3.41Å; F571-V575 PolarHBondContact O-N 3.24Å; L572-V575 WeakPolarHBondContact O-CB 3.44Å; L572-V575 PolarHBondContact O-N 2.63Å; A573-V575 VanDerWaalsContact C-N 3.34Å; A573-V575 PolarHBondContact O-N 3.17Å; V575-L577 PolarHBondContact O-N 3.04Å; V575-V578 PolarHBondContact O-N 3.25Å; V575-F579 HydrophobicContact CG1-CD2 3.64Å; V575-F579 HydrophobicContact CG1-CE2 3.86Å; V575-F579 WeakPolarHBondContact O-CD2 3.34Å; V575-F579 PolarHBondContact O-N 2.97Å
576	I	90.6	Very high	84.7	Confident	95 Å²	95	62.5 Å²	62.5	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-44.1	178.2	-69.4	166.4	0	0	0	111	L572 A573 G580	L572-I576 HydrophobicContact CD1-CD1 4.5Å; L572-I576 HydrophobicContact CG-CD1 4.01Å; L572-I576 VanDerWaalsContact O-CG1 3.28Å; L572-I576 WeakPolarHBondContact O-CG1 3.43Å; L572-I576 PolarHBondContact O-N 2.96Å; A573-I576 PolarHBondContact O-N 2.93Å; I576-G580 VanDerWaalsContact O-CA 3.32Å; I576-G580 WeakPolarHBondContact O-CA 3.48Å; I576-G580 PolarHBondContact O-N 3.49Å
577	L	89.1	Confident	86.1	Confident	28 Å²	28	62.7 Å²	62.7	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-40.9	178.2	-72.2	170.1	0	0	0	111.9	A573 S574 V575 T581 M617 D621 T628	A573-L577 WeakPolarHBondContact O-CB 3.09Å; A573-L577 VanDerWaalsContact O-CG 3.28Å; A573-L577 WeakPolarHBondContact O-CG 3.39Å; A573-L577 PolarHBondContact O-N 2.93Å; S574-L577 PolarHBondContact O-N 3.49Å; V575-L577 PolarHBondContact O-N 3.04Å; L577-T581 VanDerWaalsContact O-CB 3.31Å; L577-T581 WeakPolarHBondContact O-CB 3.36Å; L577-T581 PolarHBondContact O-N 3.18Å; L577-T581 PolarHBondContact O-OG1 2.94Å; L577-M617 HydrophobicContact CD2-CB 4.27Å; L577-M617 VanDerWaalsContact CD2-O 3.31Å; L577-M617 WeakPolarHBondContact CD2-O 3.41Å; L577-D621 HydrophobicContact CD1-CB 4.04Å; L577-D621 HydrophobicContact CD2-CB 4.11Å; L577-T628 HydrophobicContact CD1-CG2 4.24Å
578	V	87.3	Confident	87.4	Confident	60 Å²	60	61.6 Å²	61.6	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-53.2	177.8	169.5	0	0	0	0	111.3	L491 S574 V575 T581 F582	L491-V578 HydrophobicContact CD1-CG2 4.27Å; S574-V578 VanDerWaalsContact O-CG2 3.29Å; S574-V578 WeakPolarHBondContact O-CG2 3.46Å; S574-V578 PolarHBondContact O-N 3.33Å; V575-V578 PolarHBondContact O-N 3.25Å; V578-T581 PolarHBondContact O-N 3.42Å; V578-F582 WeakPolarHBondContact O-CB 3.24Å; V578-F582 PolarHBondContact O-N 3.47Å
579	F	92.2	Very high	87.8	Confident	123 Å²	123	62.4 Å²	62.4	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-37.4	178.7	-82.2	-77.8	0	0	0	112	V575 F582 T583	V575-F579 HydrophobicContact CG1-CD2 3.64Å; V575-F579 HydrophobicContact CG1-CE2 3.86Å; V575-F579 WeakPolarHBondContact O-CD2 3.34Å; V575-F579 PolarHBondContact O-N 2.97Å; F579-F582 PolarHBondContact O-N 3Å; F579-T583 WeakPolarHBondContact O-CB 3.18Å; F579-T583 VanDerWaalsContact O-CG2 3.23Å; F579-T583 WeakPolarHBondContact O-CG2 3.41Å; F579-T583 PolarHBondContact O-N 3.08Å; F579-T583 PolarHBondContact O-OG1 3.38Å
580	G	93.2	Very high	88.2	Confident	16 Å²	16	61.6 Å²	61.6	17%	0.165	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.6	0	0	0	0	0	112.1	I576 T583 L584	I576-G580 VanDerWaalsContact O-CA 3.32Å; I576-G580 WeakPolarHBondContact O-CA 3.48Å; I576-G580 PolarHBondContact O-N 3.49Å; G580-T583 WeakPolarHBondContact CA-OG1 3.43Å; G580-T583 PolarHBondContact O-OG1 2.83Å; G580-T583 VanDerWaalsContact O-OG1 3.08Å; G580-L584 WeakPolarHBondContact O-CB 3.4Å; G580-L584 PolarHBondContact O-N 2.87Å
581	T	90	Very high	88.4	Confident	39 Å²	39	60.5 Å²	60.5	24%	0.239	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-44.3	176.3	-52.7	0	0	0	0	111.2	L577 V578 A585 I614 M617	L577-T581 VanDerWaalsContact O-CB 3.31Å; L577-T581 WeakPolarHBondContact O-CB 3.36Å; L577-T581 PolarHBondContact O-N 3.18Å; L577-T581 PolarHBondContact O-OG1 2.94Å; V578-T581 PolarHBondContact O-N 3.42Å; T581-A585 WeakPolarHBondContact O-CB 3.3Å; T581-A585 PolarHBondContact O-N 2.94Å; T581-I614 HydrophobicContact CG2-CG1 4.25Å; T581-M617 WeakPolarHBondContact OG1-CB 3.21Å; T581-M617 VanDerWaalsContact OG1-CG 3.32Å; T581-M617 WeakPolarHBondContact OG1-CG 3.29Å
582	F	91.3	Very high	88.1	Confident	138 Å²	138	63.6 Å²	63.6	61%	0.605	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-46.1	-179.8	174.9	-101.9	0	0	0	113	V578 F579 T586	V578-F582 WeakPolarHBondContact O-CB 3.24Å; V578-F582 PolarHBondContact O-N 3.47Å; F579-F582 PolarHBondContact O-N 3Å; F582-T586 WeakPolarHBondContact O-CB 3.21Å; F582-T586 PolarHBondContact O-N 2.87Å; F582-T586 PolarHBondContact O-OG1 3.1Å
583	T	93.5	Very high	87.6	Confident	70 Å²	70	66.1 Å²	66.1	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-46.9	179.4	51.5	0	0	0	0	110.8	F579 G580 A585 T586 M587	F579-T583 WeakPolarHBondContact O-CB 3.18Å; F579-T583 VanDerWaalsContact O-CG2 3.23Å; F579-T583 WeakPolarHBondContact O-CG2 3.41Å; F579-T583 PolarHBondContact O-N 3.08Å; F579-T583 PolarHBondContact O-OG1 3.38Å; G580-T583 WeakPolarHBondContact CA-OG1 3.43Å; G580-T583 PolarHBondContact O-OG1 2.83Å; G580-T583 VanDerWaalsContact O-OG1 3.08Å; T583-A585 PolarHBondContact O-N 3.32Å; T583-T586 PolarHBondContact O-N 3.27Å; T583-M587 VanDerWaalsContact O-CG 3.26Å; T583-M587 WeakPolarHBondContact O-CG 3.37Å; T583-M587 PolarHBondContact O-N 3.22Å
584	L	93	Very high	87.3	Confident	44 Å²	44	67.4 Å²	67.4	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-44	177.8	-173.6	60.4	0	0	0	111.9	G580 T586 M587 L588 S613 I616 M617	G580-L584 WeakPolarHBondContact O-CB 3.4Å; G580-L584 PolarHBondContact O-N 2.87Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.11Å; L584-M587 PolarHBondContact O-N 3Å; L584-L588 HydrophobicContact CD1-CD1 4.36Å; L584-L588 HydrophobicContact CD1-CG 4.38Å; L584-L588 HydrophobicContact CG-CD1 4.18Å; L584-L588 WeakPolarHBondContact O-CB 3.3Å; L584-L588 VanDerWaalsContact O-CG 3.3Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 3.43Å; L584-S613 VanDerWaalsContact C-OG 3.31Å; L584-S613 WeakPolarHBondContact CG-OG 3.27Å; L584-I616 HydrophobicContact CD2-CB 3.83Å; L584-I616 HydrophobicContact CD2-CD1 3.87Å; L584-I616 HydrophobicContact CD2-CG1 4.45Å; L584-I616 HydrophobicContact CD2-CG2 3.77Å; L584-M617 HydrophobicContact CD2-CE 4.18Å
585	A	88.9	Confident	87	Confident	19 Å²	19	72.4 Å²	72.4	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-39.3	178.4	0	0	0	0	0	111.5	T581 T583 K589 S613	T581-A585 WeakPolarHBondContact O-CB 3.3Å; T581-A585 PolarHBondContact O-N 2.94Å; T583-A585 PolarHBondContact O-N 3.32Å; A585-K589 VanDerWaalsContact O-CB 3.29Å; A585-K589 WeakPolarHBondContact O-CB 3.03Å; A585-K589 PolarHBondContact O-N 2.64Å; A585-S613 WeakPolarHBondContact CA-OG 3.46Å; A585-S613 PolarHBondContact N-OG 3.13Å
586	T	89.3	Confident	86.6	Confident	54 Å²	54	80.5 Å²	80.5	33%	0.331	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-43.6	177	-57.8	0	0	0	0	111.3	F582 T583 L584 K589 C590	F582-T586 WeakPolarHBondContact O-CB 3.21Å; F582-T586 PolarHBondContact O-N 2.87Å; F582-T586 PolarHBondContact O-OG1 3.1Å; T583-T586 PolarHBondContact O-N 3.27Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.11Å; T586-K589 PolarHBondContact O-N 3.5Å; T586-C590 WeakPolarHBondContact O-CB 3.02Å; T586-C590 PolarHBondContact O-N 3.13Å; T586-C590 PolarHBondContact O-SG 3.41Å
587	M	90.8	Very high	86.1	Confident	132 Å²	132	80.8 Å²	80.8	65%	0.65	42%	0.416	S	S	*	.	H	α-helix	trans	-64.1	-44.8	177.8	-69.4	-60.8	157.1	0	0	112.1	T583 L584 K589 C590 S591	T583-M587 VanDerWaalsContact O-CG 3.26Å; T583-M587 WeakPolarHBondContact O-CG 3.37Å; T583-M587 PolarHBondContact O-N 3.22Å; L584-M587 PolarHBondContact O-N 3Å; M587-K589 VanDerWaalsContact C-N 3.29Å; M587-K589 PolarHBondContact O-N 3.38Å; M587-C590 PolarHBondContact O-N 3.08Å; M587-S591 PolarHBondContact O-N 3.24Å
588	L	88.9	Confident	85.6	Confident	25 Å²	25	82.5 Å²	82.5	13%	0.131	43%	0.429	C	S	.	.	H	α-helix	trans	-63.5	-35.3	176	-69.4	175.3	0	0	0	111.9	L584 S591 L605 A609 I612	L584-L588 HydrophobicContact CD1-CD1 4.36Å; L584-L588 HydrophobicContact CD1-CG 4.38Å; L584-L588 HydrophobicContact CG-CD1 4.18Å; L584-L588 WeakPolarHBondContact O-CB 3.3Å; L584-L588 VanDerWaalsContact O-CG 3.3Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 3.43Å; L588-S591 VanDerWaalsContact O-CB 3.23Å; L588-S591 WeakPolarHBondContact O-CB 2.96Å; L588-L605 HydrophobicContact CD2-CD1 3.87Å; L588-L605 HydrophobicContact CD2-CD2 3.86Å; L588-L605 HydrophobicContact CD2-CG 3.83Å; L588-A609 HydrophobicContact CB-CB 3.53Å; L588-I612 HydrophobicContact CD1-CB 4.01Å; L588-I612 HydrophobicContact CD1-CG2 3.73Å
589	K	83.7	Confident	84.8	Confident	144 Å²	144	82.8 Å²	82.8	63%	0.626	43%	0.434	S	S	*	.	H	α-helix	trans	-71.2	-43	174.4	-167.5	175.2	-176.5	-177.7	0	112.3	A585 T586 M587 S591 R592 A609	A585-K589 VanDerWaalsContact O-CB 3.29Å; A585-K589 WeakPolarHBondContact O-CB 3.03Å; A585-K589 PolarHBondContact O-N 2.64Å; T586-K589 PolarHBondContact O-N 3.5Å; M587-K589 VanDerWaalsContact C-N 3.29Å; M587-K589 PolarHBondContact O-N 3.38Å; K589-S591 PolarHBondContact O-N 3.12Å; K589-R592 VanDerWaalsContact O-CB 3.27Å; K589-R592 WeakPolarHBondContact O-CB 3.47Å; K589-R592 PolarHBondContact O-N 3.26Å; K589-A609 HydrophobicContact CB-CB 4.46Å
590	C	86.2	Confident	83.7	Confident	79 Å²	79	84.8 Å²	84.8	53%	0.534	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-24.6	175.5	-72.9	0	0	0	0	112.8	T586 M587 R592 N593	T586-C590 WeakPolarHBondContact O-CB 3.02Å; T586-C590 PolarHBondContact O-N 3.13Å; T586-C590 PolarHBondContact O-SG 3.41Å; M587-C590 PolarHBondContact O-N 3.08Å; C590-R592 PolarHBondContact O-N 3.48Å; C590-N593 PolarHBondContact O-N 2.89Å
591	S	82.3	Confident	83.1	Confident	16 Å²	16	87.5 Å²	87.5	11%	0.112	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-52.7	-23.5	171.5	-170.1	0	0	0	0	112.1	M587 L588 K589 N593 S594 R602	M587-S591 PolarHBondContact O-N 3.24Å; L588-S591 VanDerWaalsContact O-CB 3.23Å; L588-S591 WeakPolarHBondContact O-CB 2.96Å; K589-S591 PolarHBondContact O-N 3.12Å; S591-N593 PolarHBondContact O-N 3.12Å; S591-N593 VanDerWaalsContact O-N 3.11Å; S591-S594 WeakPolarHBondContact O-CB 3.18Å; S591-S594 PolarHBondContact O-N 3.37Å; S591-R602 WeakPolarHBondContact O-CD 3.23Å; S591-R602 WeakPolarHBondContact O-CG 3.4Å
592	R	76.5	Confident	82.7	Confident	108 Å²	108	88.9 Å²	88.9	41%	0.408	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-54.5	-25.7	170.2	-170.1	168.2	172.5	159.7	-0.4	114.4	K589 C590 R602	K589-R592 VanDerWaalsContact O-CB 3.27Å; K589-R592 WeakPolarHBondContact O-CB 3.47Å; K589-R592 PolarHBondContact O-N 3.26Å; C590-R592 PolarHBondContact O-N 3.48Å; R592-R602 VanDerWaalsContact CA-CG 3.46Å; R592-R602 WeakPolarHBondContact O-CD 3.19Å; R592-R602 PolarHBondContact O-NH1 2.99Å
593	N	74	Confident	81.7	Confident	153 Å²	153	84 Å²	84	82%	0.818	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-103.4	0.3	176.8	-68.3	-7.3	0	0	0	112.9	C590 S591	C590-N593 PolarHBondContact O-N 2.89Å; S591-N593 PolarHBondContact O-N 3.12Å; S591-N593 VanDerWaalsContact O-N 3.11Å
594	S	79	Confident	80.9	Confident	32 Å²	32	84.5 Å²	84.5	22%	0.224	44%	0.44	C	S	.	.			trans	-81.3	149.9	-178.1	-173	0	0	0	0	112.6	S591 Y596 R602	S591-S594 WeakPolarHBondContact O-CB 3.18Å; S591-S594 PolarHBondContact O-N 3.37Å; S594-Y596 WeakPolarHBondContact OG-CD2 3.45Å; S594-Y596 PolarHBondContact OG-N 3.45Å; S594-R602 WeakPolarHBondContact O-CD 3.24Å
595	S	79.3	Confident	80.3	Confident	115 Å²	115	84.2 Å²	84.2	80%	0.804	44%	0.438	S	S	*	.	S	Bend	trans	-90.2	-5.8	177.2	55.2	0	0	0	0	114.2	F597	S595-F597 VanDerWaalsContact C-N 3.34Å; S595-F597 PolarHBondContact O-N 2.95Å
596	Y	80.2	Confident	79.6	Confident	200 Å²	200	84 Å²	84	78%	0.784	44%	0.436	S	S	*	.	S	Bend	trans	-68.6	-28.4	-174.7	-63.5	-64	0	0	0	113.8	S594	S594-Y596 WeakPolarHBondContact OG-CD2 3.45Å; S594-Y596 PolarHBondContact OG-N 3.45Å
597	F	80.4	Confident	78.7	Confident	102 Å²	102	85.2 Å²	85.2	45%	0.447	44%	0.44	S	S	.	.	S	Bend	trans	-115.8	149.3	-175.9	-64.5	-70.1	0	0	0	113.4	S595 V601 R602 L605	S595-F597 VanDerWaalsContact C-N 3.34Å; S595-F597 PolarHBondContact O-N 2.95Å; F597-V601 HydrophobicContact CB-CB 4.45Å; F597-V601 HydrophobicContact CB-CG1 4.39Å; F597-V601 HydrophobicContact CD1-CG1 4.29Å; F597-V601 HydrophobicContact CG-CG1 4.47Å; F597-R602 HydrophobicContact CB-CB 4.34Å; F597-L605 HydrophobicContact CD2-CD2 4.49Å; F597-L605 HydrophobicContact CE2-CD2 4.33Å
598	P	78.5	Confident	77.9	Confident	64 Å²	64	81.8 Å²	81.8	42%	0.416	42%	0.422	S	S	.	.			trans	-54.7	146.1	169.3	-23.4	32.8	0	0	0	111.8	R600 V601 R602	P598-R600 PolarHBondContact O-N 2.92Å; P598-R600 VanDerWaalsContact O-N 3.08Å; P598-V601 HydrophobicContact CB-CG2 4.42Å; P598-V601 HydrophobicContact CG-CG2 4.45Å; P598-V601 PolarHBondContact O-N 3.39Å; P598-R602 WeakPolarHBondContact O-CB 3.4Å; P598-R602 PolarHBondContact O-N 3.42Å
599	S	70.7	Confident	77.6	Confident	65 Å²	65	80.7 Å²	80.7	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-53.5	-35.8	-174.2	55.7	0	0	0	0	114.7	A603	S599-A603 WeakPolarHBondContact O-CB 3.43Å; S599-A603 PolarHBondContact O-N 2.79Å
600	R	69	Low	77.2	Confident	166 Å²	166	76.9 Å²	76.9	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-67.7	-49.5	176	-71	-170.8	177.6	167.7	-0.4	112.4	P598 R602 A603 V604	P598-R600 PolarHBondContact O-N 2.92Å; P598-R600 VanDerWaalsContact O-N 3.08Å; R600-R602 VanDerWaalsContact C-N 3.29Å; R600-R602 PolarHBondContact O-N 2.96Å; R600-A603 PolarHBondContact O-N 2.73Å; R600-V604 WeakPolarHBondContact O-CG2 3.38Å; R600-V604 PolarHBondContact O-N 3.26Å
601	V	80.8	Confident	76.7	Confident	73 Å²	73	75.4 Å²	75.4	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-42.6	179	178.5	0	0	0	0	109.8	F597 P598 A603 V604 L605	F597-V601 HydrophobicContact CB-CB 4.45Å; F597-V601 HydrophobicContact CB-CG1 4.39Å; F597-V601 HydrophobicContact CD1-CG1 4.29Å; F597-V601 HydrophobicContact CG-CG1 4.47Å; P598-V601 HydrophobicContact CB-CG2 4.42Å; P598-V601 HydrophobicContact CG-CG2 4.45Å; P598-V601 PolarHBondContact O-N 3.39Å; V601-A603 VanDerWaalsContact C-N 3.35Å; V601-A603 PolarHBondContact O-N 2.9Å; V601-V604 PolarHBondContact O-N 3.44Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 PolarHBondContact O-N 3.29Å
602	R	80.2	Confident	76.8	Confident	67 Å²	67	77.2 Å²	77.2	25%	0.253	40%	0.399	S	S	.	.	H	α-helix	trans	-58.9	-41.9	175.5	176.2	164.9	63.4	80	-6.8	113.2	S591 R592 S594 F597 P598 R600 S606	S591-R602 WeakPolarHBondContact O-CD 3.23Å; S591-R602 WeakPolarHBondContact O-CG 3.4Å; R592-R602 VanDerWaalsContact CA-CG 3.46Å; R592-R602 WeakPolarHBondContact O-CD 3.19Å; R592-R602 PolarHBondContact O-NH1 2.99Å; S594-R602 WeakPolarHBondContact O-CD 3.24Å; F597-R602 HydrophobicContact CB-CB 4.34Å; P598-R602 WeakPolarHBondContact O-CB 3.4Å; P598-R602 PolarHBondContact O-N 3.42Å; R600-R602 VanDerWaalsContact C-N 3.29Å; R600-R602 PolarHBondContact O-N 2.96Å; R602-S606 VanDerWaalsContact O-CB 3.22Å; R602-S606 WeakPolarHBondContact O-CB 3.4Å; R602-S606 PolarHBondContact O-N 3.35Å; R602-S606 VanDerWaalsContact O-N 3.1Å
603	A	71.1	Confident	77.2	Confident	37 Å²	37	72 Å²	72	31%	0.306	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-52.3	174.8	0	0	0	0	0	111	S599 R600 V601 L605 S606 D607	S599-A603 WeakPolarHBondContact O-CB 3.43Å; S599-A603 PolarHBondContact O-N 2.79Å; R600-A603 PolarHBondContact O-N 2.73Å; V601-A603 VanDerWaalsContact C-N 3.35Å; V601-A603 PolarHBondContact O-N 2.9Å; A603-L605 PolarHBondContact O-N 3.14Å; A603-S606 PolarHBondContact O-N 3.07Å; A603-D607 WeakPolarHBondContact O-CB 3.33Å; A603-D607 PolarHBondContact O-N 2.7Å
604	V	75.9	Confident	77.6	Confident	79 Å²	79	67.3 Å²	67.3	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-58.5	-47.9	179.6	172.8	0	0	0	0	111.6	R600 V601 S606 D607 F608	R600-V604 WeakPolarHBondContact O-CG2 3.38Å; R600-V604 PolarHBondContact O-N 3.26Å; V601-V604 PolarHBondContact O-N 3.44Å; V604-S606 VanDerWaalsContact C-N 3.33Å; V604-S606 PolarHBondContact O-N 3.41Å; V604-D607 PolarHBondContact O-N 3.08Å; V604-F608 HydrophobicContact CG1-CD2 3.69Å; V604-F608 HydrophobicContact CG1-CE2 3.95Å; V604-F608 VanDerWaalsContact O-CD2 3.22Å; V604-F608 WeakPolarHBondContact O-CD2 3.36Å; V604-F608 PolarHBondContact O-N 3.13Å
605	L	80.4	Confident	77.8	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.199	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-41.2	179.9	-170.6	71.1	0	0	0	111.8	L588 F597 V601 A603 D607 A609 I612	L588-L605 HydrophobicContact CD2-CD1 3.87Å; L588-L605 HydrophobicContact CD2-CD2 3.86Å; L588-L605 HydrophobicContact CD2-CG 3.83Å; F597-L605 HydrophobicContact CD2-CD2 4.49Å; F597-L605 HydrophobicContact CE2-CD2 4.33Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 PolarHBondContact O-N 3.29Å; A603-L605 PolarHBondContact O-N 3.14Å; L605-D607 VanDerWaalsContact C-N 3.34Å; L605-A609 WeakPolarHBondContact O-CA 3.46Å; L605-A609 PolarHBondContact O-N 2.85Å; L605-I612 HydrophobicContact CD1-CD1 3.86Å
606	S	73.8	Confident	78.3	Confident	15 Å²	15	67.9 Å²	67.9	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-34.5	175.5	177	0	0	0	0	112.4	R602 A603 V604 A609	R602-S606 VanDerWaalsContact O-CB 3.22Å; R602-S606 WeakPolarHBondContact O-CB 3.4Å; R602-S606 PolarHBondContact O-N 3.35Å; R602-S606 VanDerWaalsContact O-N 3.1Å; A603-S606 PolarHBondContact O-N 3.07Å; V604-S606 VanDerWaalsContact C-N 3.33Å; V604-S606 PolarHBondContact O-N 3.41Å; S606-A609 WeakPolarHBondContact O-CB 3.37Å
607	D	71.5	Confident	78.6	Confident	80 Å²	80	59.9 Å²	59.9	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-75	-35.3	-179.9	-66.4	-22.2	0	0	0	111	F371 A603 V604 L605	F371-D607 WeakPolarHBondContact CD2-O 3.21Å; F371-D607 WeakPolarHBondContact CE2-O 3.38Å; A603-D607 WeakPolarHBondContact O-CB 3.33Å; A603-D607 PolarHBondContact O-N 2.7Å; V604-D607 PolarHBondContact O-N 3.08Å; L605-D607 VanDerWaalsContact C-N 3.34Å
608	F	74.9	Confident	78.8	Confident	59 Å²	59	57.5 Å²	57.5	26%	0.259	31%	0.311	S	S	.	.	S	Bend	trans	-94.2	7.3	177.1	-68.1	-72.4	0	0	0	114.7	V604 V610 I611 I612	V604-F608 HydrophobicContact CG1-CD2 3.69Å; V604-F608 HydrophobicContact CG1-CE2 3.95Å; V604-F608 VanDerWaalsContact O-CD2 3.22Å; V604-F608 WeakPolarHBondContact O-CD2 3.36Å; V604-F608 PolarHBondContact O-N 3.13Å; F608-V610 PolarHBondContact O-N 2.97Å; F608-I611 HydrophobicContact CD1-CD1 4.3Å; F608-I611 PolarHBondContact O-N 2.98Å; F608-I611 VanDerWaalsContact O-N 3.13Å; F608-I612 HydrophobicContact CB-CD1 3.77Å; F608-I612 HydrophobicContact CB-CG1 4.17Å; F608-I612 WeakPolarHBondContact O-CG1 3.39Å; F608-I612 PolarHBondContact O-N 3.09Å
609	A	80.6	Confident	79.1	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-48	-50.7	-173.3	0	0	0	0	0	113.7	L588 K589 L605 S606 I611 I612 S613	L588-A609 HydrophobicContact CB-CB 3.53Å; K589-A609 HydrophobicContact CB-CB 4.46Å; L605-A609 WeakPolarHBondContact O-CA 3.46Å; L605-A609 PolarHBondContact O-N 2.85Å; S606-A609 WeakPolarHBondContact O-CB 3.37Å; A609-I611 PolarHBondContact O-N 3.17Å; A609-I612 PolarHBondContact O-N 3.42Å; A609-S613 WeakPolarHBondContact O-CB 3.18Å; A609-S613 PolarHBondContact O-N 3.36Å; A609-S613 PolarHBondContact O-OG 3.03Å
610	V	77.2	Confident	79.9	Confident	64 Å²	64	56.7 Å²	56.7	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-43.2	-176.8	-179.6	0	0	0	0	111.9	F608 S613 I614	F608-V610 PolarHBondContact O-N 2.97Å; V610-S613 PolarHBondContact O-N 2.89Å; V610-I614 HydrophobicContact CG1-CD1 3.99Å; V610-I614 WeakPolarHBondContact O-CG1 3.43Å; V610-I614 PolarHBondContact O-N 3.11Å
611	I	75.7	Confident	80.7	Confident	47 Å²	47	49.7 Å²	49.7	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-46.2	-178.6	-61.6	178.5	0	0	0	110	N370 A374 F608 A609 S613 I614 V615	N370-I611 VanDerWaalsContact O-CD1 3.28Å; N370-I611 WeakPolarHBondContact O-CD1 3.38Å; A374-I611 HydrophobicContact CB-CG1 3.98Å; F608-I611 HydrophobicContact CD1-CD1 4.3Å; F608-I611 PolarHBondContact O-N 2.98Å; F608-I611 VanDerWaalsContact O-N 3.13Å; A609-I611 PolarHBondContact O-N 3.17Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 3.39Å; I611-I614 PolarHBondContact O-N 3.36Å; I611-V615 HydrophobicContact CG2-CG2 4.47Å; I611-V615 WeakPolarHBondContact O-CG2 3.44Å; I611-V615 PolarHBondContact O-N 2.96Å
612	I	83	Confident	80.8	Confident	54 Å²	54	50.1 Å²	50.1	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-42.1	177.5	-66.9	169.2	0	0	0	110.1	L588 L605 F608 A609 V615 I616	L588-I612 HydrophobicContact CD1-CB 4.01Å; L588-I612 HydrophobicContact CD1-CG2 3.73Å; L605-I612 HydrophobicContact CD1-CD1 3.86Å; F608-I612 HydrophobicContact CB-CD1 3.77Å; F608-I612 HydrophobicContact CB-CG1 4.17Å; F608-I612 WeakPolarHBondContact O-CG1 3.39Å; F608-I612 PolarHBondContact O-N 3.09Å; A609-I612 PolarHBondContact O-N 3.42Å; I612-V615 PolarHBondContact O-N 3.03Å; I612-I616 HydrophobicContact CG2-CD1 3.6Å; I612-I616 HydrophobicContact CG2-CG1 4.41Å; I612-I616 WeakPolarHBondContact O-CB 3.16Å; I612-I616 VanDerWaalsContact O-CG1 3.24Å; I612-I616 WeakPolarHBondContact O-CG1 3.17Å; I612-I616 PolarHBondContact O-N 2.98Å
613	S	86.3	Confident	81.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-42.6	177.3	-58.3	0	0	0	0	113.6	L584 A585 A609 V610 I611 I616 M617	L584-S613 VanDerWaalsContact C-OG 3.31Å; L584-S613 WeakPolarHBondContact CG-OG 3.27Å; A585-S613 WeakPolarHBondContact CA-OG 3.46Å; A585-S613 PolarHBondContact N-OG 3.13Å; A609-S613 WeakPolarHBondContact O-CB 3.18Å; A609-S613 PolarHBondContact O-N 3.36Å; A609-S613 PolarHBondContact O-OG 3.03Å; V610-S613 PolarHBondContact O-N 2.89Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 3.39Å; S613-I616 PolarHBondContact O-N 3.1Å; S613-M617 WeakPolarHBondContact O-CB 3.39Å; S613-M617 WeakPolarHBondContact O-CG 3.14Å; S613-M617 PolarHBondContact O-N 3.35Å
614	I	81.3	Confident	81.6	Confident	53 Å²	53	54.4 Å²	54.4	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-47.8	176.4	-68.1	165.5	0	0	0	110	A374 T581 V610 I611 I616 M617 V618	A374-I614 HydrophobicContact CB-CD1 4.17Å; T581-I614 HydrophobicContact CG2-CG1 4.25Å; V610-I614 HydrophobicContact CG1-CD1 3.99Å; V610-I614 WeakPolarHBondContact O-CG1 3.43Å; V610-I614 PolarHBondContact O-N 3.11Å; I611-I614 PolarHBondContact O-N 3.36Å; I614-I616 VanDerWaalsContact C-N 3.34Å; I614-I616 PolarHBondContact O-N 3.2Å; I614-M617 PolarHBondContact O-N 3.34Å; I614-V618 HydrophobicContact CG2-CG2 4.1Å; I614-V618 VanDerWaalsContact O-CB 3.3Å; I614-V618 WeakPolarHBondContact O-CB 3.39Å; I614-V618 WeakPolarHBondContact O-CG2 3.35Å; I614-V618 PolarHBondContact O-N 3.36Å
615	V	83.5	Confident	81.7	Confident	86 Å²	86	57.4 Å²	57.4	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-44.6	179.7	172	0	0	0	0	111.2	I611 I612 S619	I611-V615 HydrophobicContact CG2-CG2 4.47Å; I611-V615 WeakPolarHBondContact O-CG2 3.44Å; I611-V615 PolarHBondContact O-N 2.96Å; I612-V615 PolarHBondContact O-N 3.03Å; V615-S619 PolarHBondContact O-N 2.91Å; V615-S619 PolarHBondContact O-OG 2.94Å
616	I	89	Confident	81.2	Confident	73 Å²	73	58.1 Å²	58.1	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-46.4	179.8	-69.2	167.9	0	0	0	111.1	L584 I612 S613 I614 S619 V620	L584-I616 HydrophobicContact CD2-CB 3.83Å; L584-I616 HydrophobicContact CD2-CD1 3.87Å; L584-I616 HydrophobicContact CD2-CG1 4.45Å; L584-I616 HydrophobicContact CD2-CG2 3.77Å; I612-I616 HydrophobicContact CG2-CD1 3.6Å; I612-I616 HydrophobicContact CG2-CG1 4.41Å; I612-I616 WeakPolarHBondContact O-CB 3.16Å; I612-I616 VanDerWaalsContact O-CG1 3.24Å; I612-I616 WeakPolarHBondContact O-CG1 3.17Å; I612-I616 PolarHBondContact O-N 2.98Å; S613-I616 PolarHBondContact O-N 3.1Å; I614-I616 VanDerWaalsContact C-N 3.34Å; I614-I616 PolarHBondContact O-N 3.2Å; I616-S619 WeakPolarHBondContact O-CB 2.97Å; I616-S619 PolarHBondContact O-N 3.33Å; I616-V620 WeakPolarHBondContact O-CG2 3.48Å; I616-V620 PolarHBondContact O-N 3.07Å
617	M	87.4	Confident	81.1	Confident	32 Å²	32	65.7 Å²	65.7	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-72	-32.7	-177.8	-69.1	-71.6	114.5	0	0	112.7	L577 T581 L584 S613 I614 V620 D621	L577-M617 HydrophobicContact CD2-CB 4.27Å; L577-M617 VanDerWaalsContact CD2-O 3.31Å; L577-M617 WeakPolarHBondContact CD2-O 3.41Å; T581-M617 WeakPolarHBondContact OG1-CB 3.21Å; T581-M617 VanDerWaalsContact OG1-CG 3.32Å; T581-M617 WeakPolarHBondContact OG1-CG 3.29Å; L584-M617 HydrophobicContact CD2-CE 4.18Å; S613-M617 WeakPolarHBondContact O-CB 3.39Å; S613-M617 WeakPolarHBondContact O-CG 3.14Å; S613-M617 PolarHBondContact O-N 3.35Å; I614-M617 PolarHBondContact O-N 3.34Å; M617-V620 HydrophobicContact CE-CG2 4.26Å; M617-V620 WeakPolarHBondContact O-CB 3.22Å; M617-V620 PolarHBondContact O-N 3.17Å; M617-D621 PolarHBondContact O-N 3.43Å
618	V	84.2	Confident	81	Confident	52 Å²	52	62.6 Å²	62.6	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-38.9	171.1	171	0	0	0	0	110.9	I614 V620 D621 I622 I779	I614-V618 HydrophobicContact CG2-CG2 4.1Å; I614-V618 VanDerWaalsContact O-CB 3.3Å; I614-V618 WeakPolarHBondContact O-CB 3.39Å; I614-V618 WeakPolarHBondContact O-CG2 3.35Å; I614-V618 PolarHBondContact O-N 3.36Å; V618-V620 VanDerWaalsContact C-N 3.28Å; V618-V620 PolarHBondContact O-N 3.47Å; V618-D621 WeakPolarHBondContact O-CB 3.36Å; V618-D621 PolarHBondContact O-N 2.83Å; V618-I622 HydrophobicContact CG1-CD1 4.23Å; V618-I622 WeakPolarHBondContact O-CG1 3.23Å; V618-I622 PolarHBondContact O-N 3.48Å; V618-I779 HydrophobicContact CG1-CD1 3.28Å
619	S	84.8	Confident	80.8	Confident	60 Å²	60	63.5 Å²	63.5	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-35.5	172.8	-64.2	0	0	0	0	112.7	V615 I616 S623	V615-S619 PolarHBondContact O-N 2.91Å; V615-S619 PolarHBondContact O-OG 2.94Å; I616-S619 WeakPolarHBondContact O-CB 2.97Å; I616-S619 PolarHBondContact O-N 3.33Å; S619-S623 WeakPolarHBondContact O-CB 3.32Å; S619-S623 PolarHBondContact O-N 3.28Å; S619-S623 VanDerWaalsContact O-N 3.1Å; S619-S623 PolarHBondContact O-OG 2.78Å
620	V	88.3	Confident	80.2	Confident	53 Å²	53	68.7 Å²	68.7	32%	0.321	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-44.7	172.9	172.6	0	0	0	0	110.9	I616 M617 V618 I622 S623 L624	I616-V620 WeakPolarHBondContact O-CG2 3.48Å; I616-V620 PolarHBondContact O-N 3.07Å; M617-V620 HydrophobicContact CE-CG2 4.26Å; M617-V620 WeakPolarHBondContact O-CB 3.22Å; M617-V620 PolarHBondContact O-N 3.17Å; V618-V620 VanDerWaalsContact C-N 3.28Å; V618-V620 PolarHBondContact O-N 3.47Å; V620-I622 VanDerWaalsContact C-N 3.34Å; V620-I622 PolarHBondContact O-N 3.15Å; V620-S623 PolarHBondContact O-N 2.99Å; V620-S623 VanDerWaalsContact O-N 3.11Å; V620-L624 HydrophobicContact CG1-CD1 3.87Å; V620-L624 HydrophobicContact CG1-CG 4.33Å; V620-L624 WeakPolarHBondContact O-CG 3.45Å; V620-L624 PolarHBondContact O-N 3.22Å
621	D	85.8	Confident	79.5	Confident	18 Å²	18	70.5 Å²	70.5	10%	0.096	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-43.5	175.7	-178.4	63	0	0	0	112.1	L577 M617 V618 S623 L624 D625 T628	L577-D621 HydrophobicContact CD1-CB 4.04Å; L577-D621 HydrophobicContact CD2-CB 4.11Å; M617-D621 PolarHBondContact O-N 3.43Å; V618-D621 WeakPolarHBondContact O-CB 3.36Å; V618-D621 PolarHBondContact O-N 2.83Å; D621-S623 VanDerWaalsContact C-N 3.3Å; D621-S623 PolarHBondContact O-N 3.33Å; D621-L624 PolarHBondContact O-N 2.87Å; D621-D625 PolarHBondContact O-N 3.38Å; D621-T628 WeakPolarHBondContact OD1-CB 3.28Å; D621-T628 WeakPolarHBondContact OD1-CG2 3.23Å; D621-T628 PolarHBondContact OD1-OG1 2.91Å; D621-T628 PolarHBondContact OD2-OG1 3.39Å
622	I	82.1	Confident	78.7	Confident	82 Å²	82	76 Å²	76	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-39.1	175.9	-64.8	165.9	0	0	0	111.3	V618 V620 L624 D625 I779	V618-I622 HydrophobicContact CG1-CD1 4.23Å; V618-I622 WeakPolarHBondContact O-CG1 3.23Å; V618-I622 PolarHBondContact O-N 3.48Å; V620-I622 VanDerWaalsContact C-N 3.34Å; V620-I622 PolarHBondContact O-N 3.15Å; I622-L624 VanDerWaalsContact C-N 3.35Å; I622-D625 PolarHBondContact O-N 2.82Å; I622-I779 HydrophobicContact CD1-CD1 3.7Å; I622-I779 HydrophobicContact CD1-CG1 3.89Å; I622-I779 HydrophobicContact CD1-CG2 4.39Å; I622-I779 HydrophobicContact CG1-CD1 4.49Å
623	S	85.8	Confident	77.6	Confident	103 Å²	103	75.6 Å²	75.6	72%	0.72	40%	0.404	S	S	*	.	H	α-helix	trans	-74.5	-25.3	-177.5	-58.3	0	0	0	0	113	S619 V620 D621	S619-S623 WeakPolarHBondContact O-CB 3.32Å; S619-S623 PolarHBondContact O-N 3.28Å; S619-S623 VanDerWaalsContact O-N 3.1Å; S619-S623 PolarHBondContact O-OG 2.78Å; V620-S623 PolarHBondContact O-N 2.99Å; V620-S623 VanDerWaalsContact O-N 3.11Å; D621-S623 VanDerWaalsContact C-N 3.3Å; D621-S623 PolarHBondContact O-N 3.33Å
624	L	83.1	Confident	76.3	Confident	92 Å²	92	76.7 Å²	76.7	48%	0.482	41%	0.411	S	S	.	.	H	α-helix	trans	-82.5	-16.2	176.4	-68.9	173.5	0	0	0	113.1	V620 D621 I622 L626	V620-L624 HydrophobicContact CG1-CD1 3.87Å; V620-L624 HydrophobicContact CG1-CG 4.33Å; V620-L624 WeakPolarHBondContact O-CG 3.45Å; V620-L624 PolarHBondContact O-N 3.22Å; D621-L624 PolarHBondContact O-N 2.87Å; I622-L624 VanDerWaalsContact C-N 3.35Å; L624-L626 HydrophobicContact CB-CD1 4.18Å; L624-L626 HydrophobicContact CB-CG 4.19Å; L624-L626 PolarHBondContact O-N 3.48Å; L624-L626 VanDerWaalsContact O-N 3.1Å
625	D	76.5	Confident	75.4	Confident	142 Å²	142	79.9 Å²	79.9	76%	0.759	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	35.4	-179.7	-157.6	29.8	0	0	0	114.5	D621 I622	D621-D625 PolarHBondContact O-N 3.38Å; I622-D625 PolarHBondContact O-N 2.82Å
626	L	70.8	Confident	74.5	Confident	53 Å²	53	82.4 Å²	82.4	28%	0.277	43%	0.429	S	S	.	.			trans	-87.2	146.1	177.1	-66.7	172.3	0	0	0	110.5	A573 L624 T628	A573-L626 HydrophobicContact CB-CD1 3.42Å; A573-L626 VanDerWaalsContact CB-CD1 3.42Å; L624-L626 HydrophobicContact CB-CD1 4.18Å; L624-L626 HydrophobicContact CB-CG 4.19Å; L624-L626 PolarHBondContact O-N 3.48Å; L624-L626 VanDerWaalsContact O-N 3.1Å; L626-T628 HydrophobicContact CB-CG2 4.15Å; L626-T628 PolarHBondContact O-N 3.24Å
627	Q	71.2	Confident	73.6	Confident	174 Å²	174	84 Å²	84	81%	0.813	43%	0.433	S	S	*	.			trans	-75.7	57.9	175.2	-64.6	-174.3	2.8	0	0	111.7
628	T	70.5	Confident	72.8	Confident	15 Å²	15	87.7 Å²	87.7	9%	0.092	45%	0.45	C	S	.	.			trans	-67.7	151.3	175.4	56.1	0	0	0	0	111.1	A573 L577 D621 L626 K630	A573-T628 HydrophobicContact CB-CG2 4.49Å; L577-T628 HydrophobicContact CD1-CG2 4.24Å; D621-T628 WeakPolarHBondContact OD1-CB 3.28Å; D621-T628 WeakPolarHBondContact OD1-CG2 3.23Å; D621-T628 PolarHBondContact OD1-OG1 2.91Å; D621-T628 PolarHBondContact OD2-OG1 3.39Å; L626-T628 HydrophobicContact CB-CG2 4.15Å; L626-T628 PolarHBondContact O-N 3.24Å; T628-K630 PolarHBondContact O-N 3.12Å
629	P	69.5	Low	72	Confident	77 Å²	77	86.4 Å²	86.4	50%	0.5	44%	0.442	S	S	.	.			trans	-68.5	101.5	178.4	26.9	-33.7	0	0	0	110.9	I494	I494-P629 HydrophobicContact CD1-CG 4.21Å
630	K	68.5	Low	71	Confident	112 Å²	112	86.6 Å²	86.6	49%	0.487	44%	0.441	S	S	.	.			trans	-86.1	160.3	-178.7	-68.1	173.7	-173.4	177.8	0	112.9	T628 Y632	T628-K630 PolarHBondContact O-N 3.12Å; K630-Y632 PolarHBondContact O-N 2.84Å
631	L	63.3	Low	69.9	Low	103 Å²	103	90.7 Å²	90.7	54%	0.539	46%	0.457	S	S	.	.			trans	-70.4	116.4	177.7	-176.7	69.7	0	0	0	110.3	V377 M381 V633	V377-L631 HydrophobicContact CG1-CD2 3.85Å; M381-L631 HydrophobicContact CB-CD1 3.53Å; M381-L631 HydrophobicContact CE-CD2 4.16Å; M381-L631 HydrophobicContact CG-CD1 3.53Å; M381-L631 HydrophobicContact CG-CD2 4.39Å; M381-L631 HydrophobicContact CG-CG 4.46Å; M381-L631 HydrophobicContact SD-CD1 3.77Å; M381-L631 HydrophobicContact SD-CD2 4.42Å; M381-L631 HydrophobicContact SD-CG 4.3Å; L631-V633 HydrophobicContact CD2-CG2 4.17Å; L631-V633 HydrophobicContact CG-CG2 4.23Å
632	Y	58.8	Low	68.7	Low	162 Å²	162	98.6 Å²	98.6	64%	0.635	49%	0.493	S	S	*	.			trans	-88	113.9	175.9	-179.8	-99	0	0	0	109.9	K630 P634	K630-Y632 PolarHBondContact O-N 2.84Å; Y632-P634 HydrophobicContact CE1-CB 4.16Å
633	V	57.9	Low	67.8	Low	45 Å²	45	99.1 Å²	99.1	27%	0.273	52%	0.518	S	S	.	.			trans	-108.6	116.8	171.9	-176.1	0	0	0	0	108.1	M381 L631 R775	M381-V633 HydrophobicContact CE-CG2 3.85Å; L631-V633 HydrophobicContact CD2-CG2 4.17Å; L631-V633 HydrophobicContact CG-CG2 4.23Å; V633-R775 PolarHBondContact O-NH2 3.38Å
634	P	59.6	Low	67	Low	23 Å²	23	97.5 Å²	97.5	15%	0.149	50%	0.496	C	S	.	.			trans	-61.7	149.1	-175.4	21.8	-29.6	0	0	0	112.2	I389 Y632 R775	I389-P634 HydrophobicContact CD1-CB 3.84Å; I389-P634 HydrophobicContact CD1-CG 3.52Å; I389-P634 HydrophobicContact CG1-CB 4.13Å; I389-P634 HydrophobicContact CG1-CG 3.23Å; Y632-P634 HydrophobicContact CE1-CB 4.16Å; P634-R775 PolarHBondContact O-NH2 3.44Å
635	E	62.2	Low	66.6	Low	120 Å²	120	95.3 Å²	95.3	56%	0.561	50%	0.497	S	S	*	.	S	Bend	trans	-84.1	-29.5	-173.8	-62.6	-164.4	150.1	0	0	114.5	L782	E635-L782 VanDerWaalsContact OE1-CD1 3.29Å; E635-L782 WeakPolarHBondContact OE1-CD1 3.04Å
636	K	65.9	Low	66.6	Low	140 Å²	140	91.9 Å²	91.9	61%	0.609	47%	0.473	S	S	*	.	S	Bend	trans	-112.2	139.1	-177.8	-61.5	-175.7	-178.3	179.5	0	109.9	I389 E638	I389-K636 WeakPolarHBondContact CD1-O 3.39Å; K636-E638 VanDerWaalsContact C-N 3.28Å; K636-E638 HydrophobicContact CB-CG 4.22Å; K636-E638 PolarHBondContact O-N 3.46Å; K636-E638 VanDerWaalsContact O-N 3.12Å
637	F	70.2	Confident	67.2	Low	106 Å²	106	94.7 Å²	94.7	47%	0.465	49%	0.487	S	S	.	.			trans	-83.7	77.2	172.3	-173.6	-100.2	0	0	0	108.8	I389 F393 W646	I389-F637 HydrophobicContact CG2-CD2 3.51Å; I389-F637 HydrophobicContact CG2-CE2 3.56Å; I389-F637 HydrophobicContact CG2-CG 4.44Å; F393-F637 HydrophobicContact CB-CE2 4.31Å; F393-F637 HydrophobicContact CB-CZ 4.48Å; F393-F637 AromaticContact CD2-CE2 3.97Å; F393-F637 HydrophobicContact CD2-CE2 3.97Å; F393-F637 AromaticContact CD2-CZ 3.58Å; F393-F637 HydrophobicContact CD2-CZ 3.58Å; F393-F637 AromaticContact CE2-CZ 3.83Å; F393-F637 HydrophobicContact CE2-CZ 3.83Å; F393-F637 HydrophobicContact CG-CE2 4.32Å; F393-F637 HydrophobicContact CG-CZ 4.03Å; F393-F637 HydrophobicContact CZ-CZ 4.48Å; F637-W646 HydrophobicContact CD1-CH2 4.44Å; F637-W646 AromaticContact CD1-CZ2 3.74Å; F637-W646 HydrophobicContact CD1-CZ2 3.74Å; F637-W646 AromaticContact CE1-CE2 3.85Å; F637-W646 AromaticContact CE1-CH2 3.68Å; F637-W646 HydrophobicContact CE1-CH2 3.68Å; F637-W646 AromaticContact CE1-CZ2 3.16Å; F637-W646 HydrophobicContact CE1-CZ2 3.16Å; F637-W646 AromaticContact CE2-CH2 3.91Å; F637-W646 HydrophobicContact CE2-CH2 3.91Å; F637-W646 HydrophobicContact CE2-CZ2 4.17Å; F637-W646 HydrophobicContact CG-CZ2 4.44Å; F637-W646 AromaticContact CZ-CH2 3.36Å; F637-W646 HydrophobicContact CZ-CH2 3.36Å; F637-W646 AromaticContact CZ-CZ2 3.4Å; F637-W646 HydrophobicContact CZ-CZ2 3.4Å; F637-W646 VanDerWaalsContact CZ-CZ2 3.4Å; F637-W646 HydrophobicContact CZ-CZ3 4.26Å
638	E	69.9	Low	67.8	Low	109 Å²	109	86.6 Å²	86.6	51%	0.509	45%	0.45	S	S	.	.			trans	-129.1	144.4	179.6	-72.2	170.5	-169.4	0	0	109.1	I389 K636	I389-E638 VanDerWaalsContact CD1-O 3.3Å; I389-E638 WeakPolarHBondContact CD1-O 3.49Å; K636-E638 VanDerWaalsContact C-N 3.28Å; K636-E638 HydrophobicContact CB-CG 4.22Å; K636-E638 PolarHBondContact O-N 3.46Å; K636-E638 VanDerWaalsContact O-N 3.12Å
639	P	68.1	Low	68.3	Low	25 Å²	25	91.3 Å²	91.3	16%	0.162	48%	0.475	C	S	.	.			trans	-61.4	145.7	174.4	24.3	-29.7	0	0	0	109.9	H641 R644	P639-H641 PolarHBondContact O-N 2.91Å; P639-R644 WeakPolarHBondContact CG-O 3.4Å
640	T	63.6	Low	68.7	Low	65 Å²	65	90.2 Å²	90.2	40%	0.399	47%	0.468	S	S	.	.	S	Bend	trans	-65.4	-15.2	-167	-51.5	0	0	0	0	114.5	H386 E390	H386-T640 VanDerWaalsContact C-OG1 3.29Å; H386-T640 VanDerWaalsContact CA-CG2 3.48Å; H386-T640 HydrophobicContact CB-CG2 3.95Å; H386-T640 WeakPolarHBondContact O-CB 3.48Å; H386-T640 PolarHBondContact O-OG1 3.41Å; E390-T640 WeakPolarHBondContact OE1-CB 3.41Å; E390-T640 PolarHBondContact OE1-N 2.91Å; E390-T640 PolarHBondContact OE1-OG1 3.22Å; E390-T640 PolarHBondContact OE2-OG1 3.27Å
641	H	65.2	Low	69.3	Low	138 Å²	138	88.5 Å²	88.5	64%	0.639	46%	0.463	S	S	*	.	S	Bend	trans	-105.9	121.3	173.2	-168.2	-69.9	0	0	0	110	P639 G643 R644	P639-H641 PolarHBondContact O-N 2.91Å; H641-G643 PolarHBondContact O-N 3.42Å; H641-R644 HydrophobicContact CB-CB 4.36Å; H641-R644 PolarHBondContact O-N 2.95Å
642	E	59.3	Low	69.6	Low	185 Å²	185	86.8 Å²	86.8	86%	0.864	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130.7	176	-61.8	-173.3	172.4	0	0	110
643	G	63.8	Low	70.4	Confident	92 Å²	92	83.9 Å²	83.9	95%	0.948	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-1.2	-179.8	0	0	0	0	0	116.7	H641	H641-G643 PolarHBondContact O-N 3.42Å
644	R	69.3	Low	71.1	Confident	69 Å²	69	87.6 Å²	87.6	26%	0.26	48%	0.482	S	S	.	.			trans	-88.4	135.7	174.9	168.7	175.3	167.4	-163.8	-6.6	111.8	L438 P639 H641 F715	L438-R644 VanDerWaalsContact CD1-CZ 3.45Å; L438-R644 VanDerWaalsContact CD1-NH1 3.34Å; L438-R644 VanDerWaalsContact CD1-NH2 3.34Å; L438-R644 VanDerWaalsContact CD2-NE 3.3Å; P639-R644 WeakPolarHBondContact CG-O 3.4Å; H641-R644 HydrophobicContact CB-CB 4.36Å; H641-R644 PolarHBondContact O-N 2.95Å; R644-F715 PolarHBondContact NH2-O 2.71Å; R644-F715 VanDerWaalsContact NH2-O 3.07Å
645	G	74	Confident	71.8	Confident	47 Å²	47	90.6 Å²	90.6	49%	0.485	50%	0.503	S	S	.	.			trans	-78.1	161.3	166	0	0	0	0	0	113.4	L647	G645-L647 VanDerWaalsContact C-N 3.26Å; G645-L647 PolarHBondContact O-N 3.45Å
646	W	77.2	Confident	72.5	Confident	70 Å²	70	85.7 Å²	85.7	27%	0.265	48%	0.481	S	S	.	.	S	Bend	trans	-64.4	-29.8	176.1	-75	95	0	0	0	113.2	I389 F393 F637 F715 L717	I389-W646 HydrophobicContact CG2-CH2 4.21Å; F393-W646 HydrophobicContact CD1-CE3 4.2Å; F393-W646 HydrophobicContact CD1-CH2 4.34Å; F393-W646 AromaticContact CD1-CZ3 3.63Å; F393-W646 HydrophobicContact CD1-CZ3 3.63Å; F393-W646 HydrophobicContact CE1-CE3 4.04Å; F393-W646 AromaticContact CE1-CZ3 3.92Å; F393-W646 HydrophobicContact CE1-CZ3 3.92Å; F393-W646 HydrophobicContact CG-CZ3 4.21Å; F637-W646 HydrophobicContact CD1-CH2 4.44Å; F637-W646 AromaticContact CD1-CZ2 3.74Å; F637-W646 HydrophobicContact CD1-CZ2 3.74Å; F637-W646 AromaticContact CE1-CE2 3.85Å; F637-W646 AromaticContact CE1-CH2 3.68Å; F637-W646 HydrophobicContact CE1-CH2 3.68Å; F637-W646 AromaticContact CE1-CZ2 3.16Å; F637-W646 HydrophobicContact CE1-CZ2 3.16Å; F637-W646 AromaticContact CE2-CH2 3.91Å; F637-W646 HydrophobicContact CE2-CH2 3.91Å; F637-W646 HydrophobicContact CE2-CZ2 4.17Å; F637-W646 HydrophobicContact CG-CZ2 4.44Å; F637-W646 AromaticContact CZ-CH2 3.36Å; F637-W646 HydrophobicContact CZ-CH2 3.36Å; F637-W646 AromaticContact CZ-CZ2 3.4Å; F637-W646 HydrophobicContact CZ-CZ2 3.4Å; F637-W646 VanDerWaalsContact CZ-CZ2 3.4Å; F637-W646 HydrophobicContact CZ-CZ3 4.26Å; W646-F715 HydrophobicContact CB-CD1 4.31Å; W646-F715 CarbonylContact O-C 3.56Å; W646-F715 WeakPolarHBondContact O-CA 3.14Å; W646-L717 HydrophobicContact CZ3-CD2 4.45Å
647	L	84.1	Confident	73.3	Confident	111 Å²	111	87.3 Å²	87.3	58%	0.581	48%	0.484	S	S	*	.	S	Bend	trans	-85.8	132	177.6	-167.6	70.7	0	0	0	110.5	G645 F714	G645-L647 VanDerWaalsContact C-N 3.26Å; G645-L647 PolarHBondContact O-N 3.45Å; L647-F714 HydrophobicContact CD1-CB 4.21Å; L647-F714 HydrophobicContact CD1-CD1 4.3Å
648	V	82.7	Confident	74	Confident	4 Å²	4	87.6 Å²	87.6	2%	0.024	48%	0.482	C	S	.	.			trans	-79.6	130.4	175.9	178.1	0	0	0	0	110.2	L438 F442 P650 F714 G716	L438-V648 HydrophobicContact CB-CG1 4.48Å; L438-V648 HydrophobicContact CD1-CG2 3.65Å; L438-V648 HydrophobicContact CD2-CB 4.27Å; L438-V648 HydrophobicContact CD2-CG1 3.97Å; L438-V648 HydrophobicContact CD2-CG2 3.76Å; L438-V648 HydrophobicContact CG-CB 4.15Å; L438-V648 HydrophobicContact CG-CG1 3.61Å; L438-V648 HydrophobicContact CG-CG2 3.53Å; F442-V648 HydrophobicContact CB-CG1 4.09Å; V648-P650 WeakPolarHBondContact O-CD 3.4Å; V648-F714 WeakPolarHBondContact CG2-O 3.12Å; V648-F714 PolarHBondContact N-O 3.4Å; V648-G716 VanDerWaalsContact CG2-CA 3.44Å; V648-G716 VanDerWaalsContact CG2-N 3.33Å
649	N	80.7	Confident	74.8	Confident	115 Å²	115	82.6 Å²	82.6	62%	0.615	46%	0.459	S	S	*	.			trans	-73.7	114.5	165.7	-69.6	-21.5	0	0	0	109	S439 L651	S439-N649 PolarHBondContact OG-O 2.73Å; S439-N649 VanDerWaalsContact OG-O 3.11Å; N649-L651 VanDerWaalsContact C-N 3.25Å; N649-L651 PolarHBondContact O-N 3.03Å
650	P	79.7	Confident	75.7	Confident	54 Å²	54	83.8 Å²	83.8	35%	0.351	46%	0.463	S	S	.	.	S	Bend	trans	-68.7	-26.6	-173.2	28.2	-35.8	0	0	0	112.6	F442 W443 V648	F442-P650 HydrophobicContact CD1-CB 3.62Å; F442-P650 HydrophobicContact CE1-CB 3.48Å; F442-P650 VanDerWaalsContact CE1-CB 3.48Å; F442-P650 HydrophobicContact CG-CB 4.27Å; F442-P650 HydrophobicContact CZ-CB 4.02Å; W443-P650 HydrophobicContact CZ2-CB 4.41Å; W443-P650 PolarHBondContact NE1-O 3.44Å; V648-P650 WeakPolarHBondContact O-CD 3.4Å
651	L	80.5	Confident	76.9	Confident	76 Å²	76	84 Å²	84	40%	0.398	47%	0.466	S	S	.	.			trans	-132.6	103.4	176.1	-66.4	167.1	0	0	0	107.3	W443 N649 D653 I660	W443-L651 HydrophobicContact CZ2-CD2 4.44Å; W443-L651 HydrophobicContact CZ2-CG 4.45Å; N649-L651 VanDerWaalsContact C-N 3.25Å; N649-L651 PolarHBondContact O-N 3.03Å; L651-D653 VanDerWaalsContact C-N 3.35Å; L651-I660 HydrophobicContact CD2-CD1 4.49Å; L651-I660 HydrophobicContact CD2-CG1 4.43Å
652	P	69.9	Low	78	Confident	67 Å²	67	81.1 Å²	81.1	44%	0.435	46%	0.455	S	S	.	.	S	Bend	trans	-70.7	-33.3	178.2	23	-26.4	0	0	0	111.7	S439	S439-P652 WeakPolarHBondContact OG-CD 3.48Å
653	D	75.9	Confident	79.2	Confident	101 Å²	101	72.4 Å²	72.4	54%	0.54	41%	0.414	S	S	.	.	S	Bend	trans	-132	146.1	176.6	-61.1	-52.1	0	0	0	111.1	L651 S655 T656	L651-D653 VanDerWaalsContact C-N 3.35Å; D653-S655 PolarHBondContact O-N 3.4Å; D653-T656 WeakPolarHBondContact O-CB 3.43Å; D653-T656 PolarHBondContact O-N 3.08Å; D653-T656 VanDerWaalsContact O-N 3.09Å
654	S	71.4	Confident	80.5	Confident	123 Å²	123	71.3 Å²	71.3	86%	0.86	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-58.2	-32.8	176.6	162.6	0	0	0	0	113.1	T656	S654-T656 PolarHBondContact O-N 3.37Å
655	S	74.3	Confident	81.5	Confident	85 Å²	85	72.3 Å²	72.3	59%	0.594	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-70.3	-11.2	178.5	56.4	0	0	0	0	113.9	D653 W657	D653-S655 PolarHBondContact O-N 3.4Å; S655-W657 VanDerWaalsContact C-N 3.35Å; S655-W657 PolarHBondContact O-N 2.87Å
656	T	76.5	Confident	82.2	Confident	17 Å²	17	72 Å²	72	10%	0.104	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-97.2	20.8	-166.8	-57.7	0	0	0	0	113.1	D653 S654 W658 I659	D653-T656 WeakPolarHBondContact O-CB 3.43Å; D653-T656 PolarHBondContact O-N 3.08Å; D653-T656 VanDerWaalsContact O-N 3.09Å; S654-T656 PolarHBondContact O-N 3.37Å; T656-W658 PolarHBondContact O-N 2.79Å; T656-W658 VanDerWaalsContact O-N 3.1Å; T656-I659 HydrophobicContact CG2-CB 4.22Å; T656-I659 HydrophobicContact CG2-CD1 3.07Å; T656-I659 HydrophobicContact CG2-CG1 3.39Å; T656-I659 PolarHBondContact O-N 3.41Å; T656-I659 VanDerWaalsContact O-N 3.08Å
657	W	83.4	Confident	82.8	Confident	174 Å²	174	68.7 Å²	68.7	66%	0.659	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.5	-25.9	177.5	70.2	-90.1	0	0	0	113.4	S655 I659 I660	S655-W657 VanDerWaalsContact C-N 3.35Å; S655-W657 PolarHBondContact O-N 2.87Å; W657-I659 PolarHBondContact O-N 3.4Å; W657-I660 WeakPolarHBondContact O-CB 3.38Å; W657-I660 VanDerWaalsContact O-CG1 3.25Å; W657-I660 WeakPolarHBondContact O-CG1 3.41Å; W657-I660 PolarHBondContact O-N 3.32Å; W657-I660 VanDerWaalsContact O-N 3.11Å
658	W	85.4	Confident	83.1	Confident	113 Å²	113	66.6 Å²	66.6	43%	0.428	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.8	-15.7	178	62.1	-90.2	0	0	0	113.8	L435 T656 I660 P661 L662	L435-W658 HydrophobicContact CD1-CH2 3.78Å; L435-W658 HydrophobicContact CD1-CZ3 4.14Å; L435-W658 HydrophobicContact CD2-CH2 3.3Å; L435-W658 HydrophobicContact CD2-CZ2 3.57Å; L435-W658 HydrophobicContact CD2-CZ3 4.35Å; L435-W658 HydrophobicContact CG-CH2 4.12Å; T656-W658 PolarHBondContact O-N 2.79Å; T656-W658 VanDerWaalsContact O-N 3.1Å; W658-I660 PolarHBondContact O-N 3.43Å; W658-P661 VanDerWaalsContact O-CD 3.31Å; W658-P661 WeakPolarHBondContact O-CD 3.22Å; W658-P661 WeakPolarHBondContact O-CG 3.36Å; W658-L662 HydrophobicContact CE3-CD2 4.02Å; W658-L662 HydrophobicContact CZ3-CD2 3.59Å; W658-L662 WeakPolarHBondContact O-CB 3.4Å; W658-L662 PolarHBondContact O-N 3.48Å
659	I	85	Confident	83.2	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-66	-26.9	172.3	-67	-170.3	0	0	0	111.5	L435 V440 W443 T656 W657 L662 G663	L435-I659 HydrophobicContact CD2-CD1 4.26Å; V440-I659 HydrophobicContact CG2-CD1 4.16Å; V440-I659 HydrophobicContact CG2-CG2 4.02Å; W443-I659 HydrophobicContact CG-CG2 4.3Å; T656-I659 HydrophobicContact CG2-CB 4.22Å; T656-I659 HydrophobicContact CG2-CD1 3.07Å; T656-I659 HydrophobicContact CG2-CG1 3.39Å; T656-I659 PolarHBondContact O-N 3.41Å; T656-I659 VanDerWaalsContact O-N 3.08Å; W657-I659 PolarHBondContact O-N 3.4Å; I659-L662 WeakPolarHBondContact O-CB 3.24Å; I659-L662 PolarHBondContact O-N 2.95Å; I659-G663 PolarHBondContact O-N 2.95Å; I659-G663 VanDerWaalsContact O-N 3.09Å
660	I	87.4	Confident	83.6	Confident	49 Å²	49	64.4 Å²	64.4	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-62.5	179.9	-58	176.3	0	0	0	110.8	W443 W447 L651 W657 W658 L662 G663	W443-I660 HydrophobicContact CD2-CB 4.34Å; W443-I660 HydrophobicContact CD2-CG1 3.97Å; W443-I660 HydrophobicContact CD2-CG2 4.42Å; W443-I660 HydrophobicContact CE3-CB 4.28Å; W443-I660 HydrophobicContact CE3-CG1 4.17Å; W443-I660 HydrophobicContact CE3-CG2 3.86Å; W443-I660 HydrophobicContact CH2-CB 4.46Å; W443-I660 HydrophobicContact CH2-CD1 3.8Å; W443-I660 HydrophobicContact CH2-CG1 3.68Å; W443-I660 HydrophobicContact CH2-CG2 4.12Å; W443-I660 HydrophobicContact CZ2-CD1 3.79Å; W443-I660 HydrophobicContact CZ2-CG1 3.46Å; W443-I660 VanDerWaalsContact CZ2-CG1 3.46Å; W443-I660 HydrophobicContact CZ3-CB 4.33Å; W443-I660 HydrophobicContact CZ3-CD1 4.45Å; W443-I660 HydrophobicContact CZ3-CG1 4.03Å; W443-I660 HydrophobicContact CZ3-CG2 3.69Å; W447-I660 HydrophobicContact CZ2-CG2 4.08Å; W447-I660 PolarHBondContact NE1-O 3.37Å; L651-I660 HydrophobicContact CD2-CD1 4.49Å; L651-I660 HydrophobicContact CD2-CG1 4.43Å; W657-I660 WeakPolarHBondContact O-CB 3.38Å; W657-I660 VanDerWaalsContact O-CG1 3.25Å; W657-I660 WeakPolarHBondContact O-CG1 3.41Å; W657-I660 PolarHBondContact O-N 3.32Å; W657-I660 VanDerWaalsContact O-N 3.11Å; W658-I660 PolarHBondContact O-N 3.43Å; I660-L662 VanDerWaalsContact C-N 3.28Å; I660-L662 PolarHBondContact O-N 3.48Å; I660-G663 PolarHBondContact O-N 2.96Å
661	P	90.3	Very high	84	Confident	70 Å²	70	62 Å²	62	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-27.7	177.8	27.6	-36.2	0	0	0	112.8	W658 G663 L664	W658-P661 VanDerWaalsContact O-CD 3.31Å; W658-P661 WeakPolarHBondContact O-CD 3.22Å; W658-P661 WeakPolarHBondContact O-CG 3.36Å; P661-G663 PolarHBondContact O-N 3.23Å; P661-L664 WeakPolarHBondContact O-CB 3.24Å; P661-L664 PolarHBondContact O-N 2.86Å; P661-L664 VanDerWaalsContact O-N 3.14Å
662	L	86.9	Confident	84.2	Confident	78 Å²	78	62.5 Å²	62.5	41%	0.408	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-30.1	178.4	-172.9	72.2	0	0	0	112.9	L435 W658 I659 I660 L664 P665 P666	L435-L662 HydrophobicContact CD1-CD2 4.05Å; W658-L662 HydrophobicContact CE3-CD2 4.02Å; W658-L662 HydrophobicContact CZ3-CD2 3.59Å; W658-L662 WeakPolarHBondContact O-CB 3.4Å; W658-L662 PolarHBondContact O-N 3.48Å; I659-L662 WeakPolarHBondContact O-CB 3.24Å; I659-L662 PolarHBondContact O-N 2.95Å; I660-L662 VanDerWaalsContact C-N 3.28Å; I660-L662 PolarHBondContact O-N 3.48Å; L662-L664 VanDerWaalsContact C-N 3.25Å; L662-L664 PolarHBondContact O-N 3.5Å; L662-P665 WeakPolarHBondContact O-CD 3.36Å; L662-P666 WeakPolarHBondContact O-CD 3.48Å
663	G	85.9	Confident	85	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.4	177.4	0	0	0	0	0	114.4	I659 I660 P661 P666 A667	I659-G663 PolarHBondContact O-N 2.95Å; I659-G663 VanDerWaalsContact O-N 3.09Å; I660-G663 PolarHBondContact O-N 2.96Å; P661-G663 PolarHBondContact O-N 3.23Å; G663-P666 WeakPolarHBondContact O-CD 3.37Å; G663-A667 WeakPolarHBondContact O-CB 3.25Å; G663-A667 PolarHBondContact O-N 3.4Å; G663-A667 VanDerWaalsContact O-N 3.09Å
664	L	91	Very high	85.6	Confident	70 Å²	70	55 Å²	55	37%	0.366	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-49	-172.2	-178.5	70.2	0	0	0	113.6	W447 I451 P661 L662 A667 V668	W447-L664 HydrophobicContact CB-CD1 4.31Å; W447-L664 HydrophobicContact CD2-CB 4.49Å; W447-L664 HydrophobicContact CD2-CD1 3.88Å; W447-L664 HydrophobicContact CE3-CD1 3.81Å; W447-L664 HydrophobicContact CG-CB 4.43Å; W447-L664 HydrophobicContact CG-CD1 4.11Å; W447-L664 HydrophobicContact CZ3-CD1 4.43Å; I451-L664 HydrophobicContact CD1-CD1 4.26Å; P661-L664 WeakPolarHBondContact O-CB 3.24Å; P661-L664 PolarHBondContact O-N 2.86Å; P661-L664 VanDerWaalsContact O-N 3.14Å; L662-L664 VanDerWaalsContact C-N 3.25Å; L662-L664 PolarHBondContact O-N 3.5Å; L664-A667 WeakPolarHBondContact O-CB 3.33Å; L664-A667 PolarHBondContact O-N 2.97Å; L664-A667 VanDerWaalsContact O-N 3.14Å; L664-V668 WeakPolarHBondContact O-CG2 3.38Å; L664-V668 PolarHBondContact O-N 3.2Å
665	P	88.4	Confident	86.3	Confident	90 Å²	90	50.5 Å²	50.5	58%	0.584	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-45.2	-179.5	-18.4	29.7	0	0	0	113.9	L662 A667 V668 L669	L662-P665 WeakPolarHBondContact O-CD 3.36Å; P665-A667 VanDerWaalsContact C-N 3.28Å; P665-A667 PolarHBondContact O-N 2.93Å; P665-V668 PolarHBondContact O-N 3.27Å; P665-L669 PolarHBondContact O-N 3.45Å
666	P	89.1	Confident	86.6	Confident	40 Å²	40	48.2 Å²	48.2	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-33.7	172.3	-20.5	32	0	0	0	112.8	F422 I444 L662 G663 L669 L670	F422-P666 HydrophobicContact CE2-CB 4.28Å; F422-P666 WeakPolarHBondContact CE2-O 3.34Å; F422-P666 HydrophobicContact CZ-CB 3.9Å; F422-P666 VanDerWaalsContact CZ-O 3.3Å; F422-P666 WeakPolarHBondContact CZ-O 3.41Å; I444-P666 HydrophobicContact CD1-CB 3.88Å; I444-P666 HydrophobicContact CD1-CG 4.41Å; I444-P666 HydrophobicContact CG1-CB 4.05Å; L662-P666 WeakPolarHBondContact O-CD 3.48Å; G663-P666 WeakPolarHBondContact O-CD 3.37Å; P666-L669 PolarHBondContact O-N 2.85Å; P666-L670 WeakPolarHBondContact O-CB 3.44Å; P666-L670 PolarHBondContact O-N 2.88Å
667	A	91.3	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-38.2	176.7	0	0	0	0	0	113.1	I444 W447 I451 G663 L664 P665 L669 L670 C671	I444-A667 HydrophobicContact CG2-CB 4.25Å; I444-A667 WeakPolarHBondContact O-CB 3.47Å; W447-A667 HydrophobicContact CB-CB 3.44Å; W447-A667 VanDerWaalsContact CB-CB 3.44Å; I451-A667 HydrophobicContact CD1-CB 4.4Å; G663-A667 WeakPolarHBondContact O-CB 3.25Å; G663-A667 PolarHBondContact O-N 3.4Å; G663-A667 VanDerWaalsContact O-N 3.09Å; L664-A667 WeakPolarHBondContact O-CB 3.33Å; L664-A667 PolarHBondContact O-N 2.97Å; L664-A667 VanDerWaalsContact O-N 3.14Å; P665-A667 VanDerWaalsContact C-N 3.28Å; P665-A667 PolarHBondContact O-N 2.93Å; A667-L669 VanDerWaalsContact C-N 3.35Å; A667-L669 PolarHBondContact O-N 2.71Å; A667-L670 PolarHBondContact O-N 2.96Å; A667-C671 VanDerWaalsContact O-CB 3.25Å; A667-C671 WeakPolarHBondContact O-CB 3.32Å; A667-C671 PolarHBondContact O-N 2.87Å
668	V	89	Confident	87.2	Confident	68 Å²	68	39.9 Å²	39.9	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-46.1	174.2	173.1	0	0	0	0	110.5	I451 L664 P665 C671 I672	I451-V668 HydrophobicContact CD1-CG2 3.79Å; L664-V668 WeakPolarHBondContact O-CG2 3.38Å; L664-V668 PolarHBondContact O-N 3.2Å; P665-V668 PolarHBondContact O-N 3.27Å; V668-C671 PolarHBondContact O-N 3.1Å; V668-I672 HydrophobicContact CG1-CD1 4.23Å; V668-I672 WeakPolarHBondContact O-CG1 3.42Å; V668-I672 PolarHBondContact O-N 2.88Å; V668-I672 VanDerWaalsContact O-N 3.08Å
669	L	85.8	Confident	87.3	Confident	73 Å²	73	34.5 Å²	34.5	38%	0.382	19%	0.193	S	C	.	.	H	α-helix	trans	-61.9	-45.9	176.9	-178.7	65	0	0	0	111.4	F422 P665 P666 A667 I672 L673	F422-L669 HydrophobicContact CD2-CD2 4.17Å; F422-L669 HydrophobicContact CE2-CB 4.49Å; F422-L669 HydrophobicContact CE2-CD2 4.12Å; F422-L669 HydrophobicContact CE2-CG 4.45Å; P665-L669 PolarHBondContact O-N 3.45Å; P666-L669 PolarHBondContact O-N 2.85Å; A667-L669 VanDerWaalsContact C-N 3.35Å; A667-L669 PolarHBondContact O-N 2.71Å; L669-I672 PolarHBondContact O-N 3.22Å; L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 2.9Å
670	L	88.1	Confident	87.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-45.6	176.5	177.4	60.7	0	0	0	111.1	F422 I444 S448 P666 A667 I672 L673 L674 I719	F422-L670 HydrophobicContact CD1-CD1 3.95Å; F422-L670 HydrophobicContact CE1-CB 3.94Å; F422-L670 HydrophobicContact CE1-CD1 4.05Å; F422-L670 HydrophobicContact CE1-CD2 3.96Å; F422-L670 HydrophobicContact CE1-CG 4.2Å; F422-L670 HydrophobicContact CE2-CB 4.28Å; F422-L670 HydrophobicContact CZ-CB 3.8Å; F422-L670 HydrophobicContact CZ-CD2 4.5Å; I444-L670 HydrophobicContact CG2-CD2 3.63Å; S448-L670 WeakPolarHBondContact OG-CD2 3.28Å; P666-L670 WeakPolarHBondContact O-CB 3.44Å; P666-L670 PolarHBondContact O-N 2.88Å; A667-L670 PolarHBondContact O-N 2.96Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 3.11Å; L670-L673 WeakPolarHBondContact O-CA 3.39Å; L670-L673 WeakPolarHBondContact O-CB 3.32Å; L670-L673 PolarHBondContact O-N 3.15Å; L670-L674 HydrophobicContact CD1-CD1 4.26Å; L670-L674 HydrophobicContact CD1-CD2 4.18Å; L670-L674 HydrophobicContact CD1-CG 4.01Å; L670-L674 HydrophobicContact CG-CD1 3.96Å; L670-L674 HydrophobicContact CG-CG 4.14Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.36Å; L670-L674 PolarHBondContact O-N 3.23Å; L670-I719 HydrophobicContact CD1-CD1 4.04Å; L670-I719 HydrophobicContact CD2-CD1 3.46Å; L670-I719 VanDerWaalsContact CD2-CD1 3.46Å; L670-I719 HydrophobicContact CG-CD1 4.27Å
671	C	89.2	Confident	87.3	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-40.9	179.6	-174.6	0	0	0	0	112.6	I451 L452 A667 V668 L673 L674 F675	I451-C671 HydrophobicContact CB-CB 4.42Å; I451-C671 HydrophobicContact CG2-CB 4.06Å; I451-C671 WeakPolarHBondContact CG2-SG 3.42Å; L452-C671 WeakPolarHBondContact CD2-SG 3.43Å; A667-C671 VanDerWaalsContact O-CB 3.25Å; A667-C671 WeakPolarHBondContact O-CB 3.32Å; A667-C671 PolarHBondContact O-N 2.87Å; V668-C671 PolarHBondContact O-N 3.1Å; C671-L673 VanDerWaalsContact C-N 3.27Å; C671-L673 PolarHBondContact O-N 2.84Å; C671-L674 PolarHBondContact O-N 3.17Å; C671-F675 VanDerWaalsContact O-CB 3.24Å; C671-F675 WeakPolarHBondContact O-CB 3.24Å; C671-F675 PolarHBondContact O-N 2.92Å
672	I	84.9	Confident	87.2	Confident	86 Å²	86	28.9 Å²	28.9	44%	0.441	16%	0.16	S	C	.	.	H	α-helix	trans	-60.7	-40.4	175	-67.5	165.4	0	0	0	110.4	V668 L669 L670 M676	V668-I672 HydrophobicContact CG1-CD1 4.23Å; V668-I672 WeakPolarHBondContact O-CG1 3.42Å; V668-I672 PolarHBondContact O-N 2.88Å; V668-I672 VanDerWaalsContact O-N 3.08Å; L669-I672 PolarHBondContact O-N 3.22Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 3.11Å; I672-M676 HydrophobicContact CG2-CG 4.39Å; I672-M676 WeakPolarHBondContact O-CB 3.28Å; I672-M676 VanDerWaalsContact O-CG 3.24Å; I672-M676 WeakPolarHBondContact O-CG 3.24Å; I672-M676 PolarHBondContact O-N 2.73Å
673	L	84.8	Confident	87.1	Confident	11 Å²	11	26.1 Å²	26.1	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-45.5	178.2	-60.9	171.4	0	0	0	112.4	L669 L670 C671 F675 M676 D677 R808	L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 2.9Å; L670-L673 WeakPolarHBondContact O-CA 3.39Å; L670-L673 WeakPolarHBondContact O-CB 3.32Å; L670-L673 PolarHBondContact O-N 3.15Å; C671-L673 VanDerWaalsContact C-N 3.27Å; C671-L673 PolarHBondContact O-N 2.84Å; L673-F675 VanDerWaalsContact C-N 3.31Å; L673-F675 PolarHBondContact O-N 2.83Å; L673-M676 PolarHBondContact O-N 3.5Å; L673-D677 WeakPolarHBondContact O-CB 3.01Å; L673-D677 PolarHBondContact O-N 3.34Å; L673-R808 HydrophobicContact CD2-CB 4.06Å; L673-R808 HydrophobicContact CD2-CG 3.66Å
674	L	88.6	Confident	87	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-43.7	176.6	-64.1	-179.1	0	0	0	110.9	V419 L452 L670 C671 H678 C709 I719 V721	V419-L674 HydrophobicContact CG2-CD2 4.3Å; L452-L674 HydrophobicContact CD1-CD1 4.12Å; L670-L674 HydrophobicContact CD1-CD1 4.26Å; L670-L674 HydrophobicContact CD1-CD2 4.18Å; L670-L674 HydrophobicContact CD1-CG 4.01Å; L670-L674 HydrophobicContact CG-CD1 3.96Å; L670-L674 HydrophobicContact CG-CG 4.14Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.36Å; L670-L674 PolarHBondContact O-N 3.23Å; C671-L674 PolarHBondContact O-N 3.17Å; L674-H678 WeakPolarHBondContact O-CB 3.3Å; L674-H678 PolarHBondContact O-N 3.42Å; L674-H678 VanDerWaalsContact O-N 3.1Å; L674-C709 WeakPolarHBondContact CD1-SG 3.44Å; L674-I719 HydrophobicContact CD2-CG2 3.93Å; L674-V721 HydrophobicContact CD2-CG2 3.24Å
675	F	87	Confident	86.9	Confident	29 Å²	29	24 Å²	24	13%	0.127	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-49.5	178.3	-179	-98.2	0	0	0	111.9	I455 V464 C671 L673 Q679 L702	I455-F675 HydrophobicContact CG2-CD2 3.9Å; I455-F675 HydrophobicContact CG2-CE2 3.71Å; V464-F675 HydrophobicContact CG2-CZ 4.47Å; C671-F675 VanDerWaalsContact O-CB 3.24Å; C671-F675 WeakPolarHBondContact O-CB 3.24Å; C671-F675 PolarHBondContact O-N 2.92Å; L673-F675 VanDerWaalsContact C-N 3.31Å; L673-F675 PolarHBondContact O-N 2.83Å; F675-Q679 HydrophobicContact CD2-CG 4.14Å; F675-Q679 HydrophobicContact CE2-CG 3.98Å; F675-Q679 HydrophobicContact CZ-CG 4.19Å; F675-Q679 VanDerWaalsContact O-CB 3.29Å; F675-Q679 WeakPolarHBondContact O-CB 3.46Å; F675-Q679 WeakPolarHBondContact O-CG 3.41Å; F675-Q679 PolarHBondContact O-N 2.9Å; F675-L702 HydrophobicContact CD2-CD1 4.02Å; F675-L702 HydrophobicContact CD2-CD2 3.92Å; F675-L702 HydrophobicContact CE2-CD2 3.99Å
676	M	79.8	Confident	86.8	Confident	37 Å²	37	20.9 Å²	20.9	18%	0.182	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-54.1	-178.4	-73.1	-106.3	62.8	0	0	112.2	I467 I672 L673 H678 I680 L811	I467-M676 HydrophobicContact CD1-CE 4.14Å; I672-M676 HydrophobicContact CG2-CG 4.39Å; I672-M676 WeakPolarHBondContact O-CB 3.28Å; I672-M676 VanDerWaalsContact O-CG 3.24Å; I672-M676 WeakPolarHBondContact O-CG 3.24Å; I672-M676 PolarHBondContact O-N 2.73Å; L673-M676 PolarHBondContact O-N 3.5Å; M676-H678 VanDerWaalsContact C-N 3.3Å; M676-H678 PolarHBondContact O-N 2.91Å; M676-I680 HydrophobicContact CE-CD1 4.01Å; M676-I680 HydrophobicContact CE-CG1 4.36Å; M676-I680 WeakPolarHBondContact O-CB 3.11Å; M676-I680 WeakPolarHBondContact O-CD1 3.45Å; M676-I680 WeakPolarHBondContact O-CG1 3.15Å; M676-I680 PolarHBondContact O-N 2.87Å; M676-I680 VanDerWaalsContact O-N 3.08Å; M676-L811 HydrophobicContact CE-CD2 3.6Å; M676-L811 HydrophobicContact SD-CD2 3.36Å; M676-L811 WeakPolarHBondContact SD-CD2 3.3Å
677	D	83.3	Confident	86.4	Confident	15 Å²	15	21.5 Å²	21.5	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-45.9	-178.2	-81.7	-1.5	0	0	0	109.9	L673 T681 V721	L673-D677 WeakPolarHBondContact O-CB 3.01Å; L673-D677 PolarHBondContact O-N 3.34Å; D677-T681 WeakPolarHBondContact O-CG2 3.37Å; D677-T681 PolarHBondContact O-N 2.85Å; D677-T681 VanDerWaalsContact O-N 3.13Å; D677-T681 PolarHBondContact O-OG1 3.33Å; D677-V721 HydrophobicContact CB-CG1 3.89Å
678	H	89.3	Confident	85.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-51.1	-177.4	-171.6	59	0	0	0	113.1	Y402 L674 M676 I680 T681 V682 D701 I705 V721 A722	Y402-H678 AromaticContact CE2-CE1 3.96Å; Y402-H678 AromaticContact CZ-CE1 3.93Å; Y402-H678 PolarHBondContact OH-CE1 3.26Å; Y402-H678 VanDerWaalsContact OH-CE1 3.27Å; L674-H678 WeakPolarHBondContact O-CB 3.3Å; L674-H678 PolarHBondContact O-N 3.42Å; L674-H678 VanDerWaalsContact O-N 3.1Å; M676-H678 VanDerWaalsContact C-N 3.3Å; M676-H678 PolarHBondContact O-N 2.91Å; H678-I680 VanDerWaalsContact C-N 3.32Å; H678-I680 PolarHBondContact O-N 3.36Å; H678-T681 PolarHBondContact O-N 3.46Å; H678-T681 VanDerWaalsContact O-N 3.12Å; H678-T681 PolarHBondContact O-OG1 3.38Å; H678-V682 WeakPolarHBondContact O-CG2 3.33Å; H678-V682 PolarHBondContact O-N 3.03Å; H678-D701 VanDerWaalsContact NE2-CB 3.28Å; H678-D701 WeakPolarHBondContact NE2-CB 3.25Å; H678-I705 HydrophobicContact CB-CD1 3.64Å; H678-I705 WeakPolarHBondContact CD2-CD1 3.41Å; H678-I705 WeakPolarHBondContact CE1-CD1 3.41Å; H678-I705 WeakPolarHBondContact ND1-CD1 3.1Å; H678-I705 WeakPolarHBondContact NE2-CD1 3.33Å; H678-V721 HydrophobicContact CB-CG1 4.37Å; H678-A722 WeakPolarHBondContact ND1-CB 3.4Å
679	Q	88.1	Confident	85.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-41.3	-176.9	-68.4	-65	-6.2	0	0	111.5	V464 F675 T681 V682 V683	V464-Q679 HydrophobicContact CG1-CB 4.42Å; V464-Q679 HydrophobicContact CG2-CB 3.71Å; V464-Q679 VanDerWaalsContact CG2-CD 3.49Å; V464-Q679 HydrophobicContact CG2-CG 3.57Å; F675-Q679 HydrophobicContact CD2-CG 4.14Å; F675-Q679 HydrophobicContact CE2-CG 3.98Å; F675-Q679 HydrophobicContact CZ-CG 4.19Å; F675-Q679 VanDerWaalsContact O-CB 3.29Å; F675-Q679 WeakPolarHBondContact O-CB 3.46Å; F675-Q679 WeakPolarHBondContact O-CG 3.41Å; F675-Q679 PolarHBondContact O-N 2.9Å; Q679-T681 VanDerWaalsContact C-N 3.31Å; Q679-T681 PolarHBondContact O-N 2.95Å; Q679-V682 PolarHBondContact O-N 3.4Å; Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.38Å; Q679-V683 PolarHBondContact O-N 2.88Å
680	I	84.2	Confident	85.1	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-44.8	175.2	-66.7	167.2	0	0	0	110.4	I467 F475 M676 H678 V682 V683 I684 L811	I467-I680 HydrophobicContact CD1-CG1 3.95Å; I467-I680 HydrophobicContact CG2-CG1 4.5Å; F475-I680 HydrophobicContact CD1-CB 4.5Å; F475-I680 HydrophobicContact CD1-CD1 4.24Å; F475-I680 HydrophobicContact CD1-CG2 3.6Å; F475-I680 HydrophobicContact CE1-CD1 4.36Å; F475-I680 HydrophobicContact CE1-CG2 4.03Å; F475-I680 HydrophobicContact CG-CD1 4.37Å; F475-I680 HydrophobicContact CG-CG2 4.42Å; M676-I680 HydrophobicContact CE-CD1 4.01Å; M676-I680 HydrophobicContact CE-CG1 4.36Å; M676-I680 WeakPolarHBondContact O-CB 3.11Å; M676-I680 WeakPolarHBondContact O-CD1 3.45Å; M676-I680 WeakPolarHBondContact O-CG1 3.15Å; M676-I680 PolarHBondContact O-N 2.87Å; M676-I680 VanDerWaalsContact O-N 3.08Å; H678-I680 VanDerWaalsContact C-N 3.32Å; H678-I680 PolarHBondContact O-N 3.36Å; I680-V682 PolarHBondContact O-N 3.28Å; I680-V683 PolarHBondContact O-N 3.31Å; I680-I684 HydrophobicContact CG2-CD1 3.61Å; I680-I684 HydrophobicContact CG2-CG1 4.33Å; I680-I684 WeakPolarHBondContact O-CB 3.3Å; I680-I684 WeakPolarHBondContact O-CD1 3.41Å; I680-I684 WeakPolarHBondContact O-CG1 3.45Å; I680-I684 PolarHBondContact O-N 2.82Å; I680-L811 HydrophobicContact CD1-CD1 4.1Å; I680-L811 HydrophobicContact CD1-CD2 3.85Å
681	T	87.7	Confident	84.7	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-39.5	178.9	67.7	0	0	0	0	113.1	D677 H678 Q679 I684 V685 A722 T724	D677-T681 WeakPolarHBondContact O-CG2 3.37Å; D677-T681 PolarHBondContact O-N 2.85Å; D677-T681 VanDerWaalsContact O-N 3.13Å; D677-T681 PolarHBondContact O-OG1 3.33Å; H678-T681 PolarHBondContact O-N 3.46Å; H678-T681 VanDerWaalsContact O-N 3.12Å; H678-T681 PolarHBondContact O-OG1 3.38Å; Q679-T681 VanDerWaalsContact C-N 3.31Å; Q679-T681 PolarHBondContact O-N 2.95Å; T681-I684 PolarHBondContact O-N 3.3Å; T681-V685 WeakPolarHBondContact O-CG2 3.29Å; T681-V685 PolarHBondContact O-N 2.8Å; T681-V685 VanDerWaalsContact O-N 3.1Å; T681-A722 HydrophobicContact CG2-CB 4.1Å; T681-A722 WeakPolarHBondContact CG2-O 3.25Å; T681-A722 WeakPolarHBondContact OG1-CB 3.33Å; T681-T724 HydrophobicContact CG2-CG2 3.23Å
682	V	88.5	Confident	84.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.1	-40.4	-178.5	175.7	0	0	0	0	110.1	Q408 T411 H678 Q679 I680 V685 N686 Y698	Q408-V682 HydrophobicContact CB-CG1 4.43Å; T411-V682 HydrophobicContact CG2-CG2 4.17Å; H678-V682 WeakPolarHBondContact O-CG2 3.33Å; H678-V682 PolarHBondContact O-N 3.03Å; Q679-V682 PolarHBondContact O-N 3.4Å; I680-V682 PolarHBondContact O-N 3.28Å; V682-V685 PolarHBondContact O-N 3.42Å; V682-N686 VanDerWaalsContact CG1-ND2 3.31Å; V682-N686 WeakPolarHBondContact CG1-ND2 3.04Å; V682-N686 VanDerWaalsContact O-CB 3.27Å; V682-N686 WeakPolarHBondContact O-CB 3.21Å; V682-N686 VanDerWaalsContact O-CG 3.24Å; V682-N686 PolarHBondContact O-N 3.04Å; V682-N686 PolarHBondContact O-ND2 2.97Å; V682-Y698 HydrophobicContact CB-CD1 4.3Å; V682-Y698 HydrophobicContact CB-CE1 4.31Å; V682-Y698 HydrophobicContact CG1-CD1 3.6Å; V682-Y698 HydrophobicContact CG1-CE1 3.62Å
683	V	84.6	Confident	84.3	Confident	20 Å²	20	37 Å²	37	12%	0.121	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-44.9	174.6	-179.4	0	0	0	0	111.4	V464 E472 Q679 I680 V685 N686 R687 Y698	V464-V683 HydrophobicContact CG1-CG2 3.15Å; E472-V683 WeakPolarHBondContact OE1-CG1 3.49Å; Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.38Å; Q679-V683 PolarHBondContact O-N 2.88Å; I680-V683 PolarHBondContact O-N 3.31Å; V683-V685 PolarHBondContact O-N 3.49Å; V683-N686 CarbonylContact O-C 3.53Å; V683-N686 PolarHBondContact O-N 3.37Å; V683-R687 PolarHBondContact O-N 2.9Å; V683-R687 VanDerWaalsContact O-N 3.12Å; V683-Y698 HydrophobicContact CG2-CE1 3.66Å
684	I	85.2	Confident	84.2	Confident	23 Å²	23	37.8 Å²	37.8	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-38.7	177.2	-71.8	168.9	0	0	0	111.4	E472 I680 T681 T724 I728	E472-I684 HydrophobicContact CB-CG1 4.29Å; E472-I684 HydrophobicContact CG-CG1 4.25Å; I680-I684 HydrophobicContact CG2-CD1 3.61Å; I680-I684 HydrophobicContact CG2-CG1 4.33Å; I680-I684 WeakPolarHBondContact O-CB 3.3Å; I680-I684 WeakPolarHBondContact O-CD1 3.41Å; I680-I684 WeakPolarHBondContact O-CG1 3.45Å; I680-I684 PolarHBondContact O-N 2.82Å; T681-I684 PolarHBondContact O-N 3.3Å; I684-T724 HydrophobicContact CD1-CG2 4.34Å; I684-I728 HydrophobicContact CG2-CD1 3.75Å; I684-I728 HydrophobicContact CG2-CG1 3.83Å
685	V	87.3	Confident	83.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-73.1	-39.9	175.7	170.4	0	0	0	0	111.6	Q408 L410 T411 T681 V682 V683 R687 N690 L692 V731	Q408-V685 HydrophobicContact CG-CG1 3.82Å; L410-V685 HydrophobicContact CB-CG1 3.82Å; L410-V685 HydrophobicContact CD1-CG1 4.4Å; T411-V685 HydrophobicContact CG2-CB 3.95Å; T411-V685 HydrophobicContact CG2-CG1 4.16Å; T411-V685 HydrophobicContact CG2-CG2 3.72Å; T681-V685 WeakPolarHBondContact O-CG2 3.29Å; T681-V685 PolarHBondContact O-N 2.8Å; T681-V685 VanDerWaalsContact O-N 3.1Å; V682-V685 PolarHBondContact O-N 3.42Å; V683-V685 PolarHBondContact O-N 3.49Å; V685-R687 PolarHBondContact O-N 3.01Å; V685-R687 VanDerWaalsContact O-N 3.15Å; V685-N690 PolarHBondContact O-ND2 3.13Å; V685-L692 WeakPolarHBondContact O-CD1 3.42Å; V685-V731 HydrophobicContact CG1-CG2 3.84Å; V685-V731 HydrophobicContact CG2-CG2 4.22Å
686	N	86.6	Confident	83.5	Confident	25 Å²	25	38.8 Å²	38.8	13%	0.134	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	9.6	-179.4	-71.2	-22.9	0	0	0	114.6	Q408 V682 V683 K688 C696	Q408-N686 WeakPolarHBondContact CG-OD1 3.38Å; Q408-N686 PolarHBondContact NE2-OD1 3.49Å; V682-N686 VanDerWaalsContact CG1-ND2 3.31Å; V682-N686 WeakPolarHBondContact CG1-ND2 3.04Å; V682-N686 VanDerWaalsContact O-CB 3.27Å; V682-N686 WeakPolarHBondContact O-CB 3.21Å; V682-N686 VanDerWaalsContact O-CG 3.24Å; V682-N686 PolarHBondContact O-N 3.04Å; V682-N686 PolarHBondContact O-ND2 2.97Å; V683-N686 CarbonylContact O-C 3.53Å; V683-N686 PolarHBondContact O-N 3.37Å; N686-K688 PolarHBondContact O-N 3.2Å; N686-C696 HydrophobicContact CB-CB 4.48Å; N686-C696 VanDerWaalsContact ND2-CB 3.29Å; N686-C696 WeakPolarHBondContact ND2-CB 3.34Å
687	R	81.6	Confident	83.8	Confident	53 Å²	53	37 Å²	37	20%	0.2	18%	0.18	C	C	.	.			trans	-54.9	136.9	-179.6	-153.6	179	-159.1	-179.3	26.4	111.7	R469 E473 V683 V685 E689 N690	R469-R687 VanDerWaalsContact NE-NH2 3.15Å; R469-R687 VanDerWaalsContact NH2-NH1 3.14Å; E473-R687 IonicContact OE1-CZ 3.75Å; E473-R687 IonicContact OE1-NH1 2.72Å; E473-R687 IonicContact OE1-NH2 2.62Å; E473-R687 PolarHBondContact OE1-NH2 2.94Å; V683-R687 PolarHBondContact O-N 2.9Å; V683-R687 VanDerWaalsContact O-N 3.12Å; V685-R687 PolarHBondContact O-N 3.01Å; V685-R687 VanDerWaalsContact O-N 3.15Å; R687-E689 HydrophobicContact CG-CB 4.18Å; R687-E689 HydrophobicContact CG-CG 4.14Å; R687-E689 IonicContact CZ-OE1 3.83Å; R687-E689 IonicContact CZ-OE2 2.9Å; R687-E689 IonicContact NE-OE1 3.55Å; R687-E689 IonicContact NE-OE2 2.75Å; R687-E689 IonicContact NH1-OE1 2.87Å; R687-E689 PolarHBondContact NH1-OE1 3.3Å; R687-E689 IonicContact NH1-OE2 3.73Å; R687-E689 PolarHBondContact NH1-OE2 3.42Å; R687-E689 PolarHBondContact O-N 3.27Å; R687-E689 VanDerWaalsContact O-N 3.09Å; R687-N690 WeakPolarHBondContact O-CB 3.16Å; R687-N690 PolarHBondContact O-N 3.38Å
688	K	76.7	Confident	84.1	Confident	123 Å²	123	36.8 Å²	36.8	54%	0.535	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-56.2	-27.9	175.4	-63.3	-178.3	-178.5	177.3	0	112.5	S328 N686 N690 K691	S328-K688 PolarHBondContact O-NZ 3.37Å; N686-K688 PolarHBondContact O-N 3.2Å; K688-N690 PolarHBondContact O-N 2.97Å; K688-N690 VanDerWaalsContact O-N 3.16Å; K688-K691 PolarHBondContact O-N 2.8Å
689	E	78.5	Confident	84.2	Confident	79 Å²	79	37.1 Å²	37.1	37%	0.369	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-56.7	-26.9	173	-65.5	-176.4	179.8	0	0	113.6	R469 R687 K691 F749 K836	R469-E689 IonicContact CZ-OE1 3.78Å; R469-E689 IonicContact NH1-OE1 2.83Å; R469-E689 PolarHBondContact NH1-OE1 3.11Å; R469-E689 IonicContact NH2-OE1 3.53Å; R469-E689 PolarHBondContact NH2-OE1 3.3Å; R687-E689 HydrophobicContact CG-CB 4.18Å; R687-E689 HydrophobicContact CG-CG 4.14Å; R687-E689 IonicContact CZ-OE1 3.83Å; R687-E689 IonicContact CZ-OE2 2.9Å; R687-E689 IonicContact NE-OE1 3.55Å; R687-E689 IonicContact NE-OE2 2.75Å; R687-E689 IonicContact NH1-OE1 2.87Å; R687-E689 PolarHBondContact NH1-OE1 3.3Å; R687-E689 IonicContact NH1-OE2 3.73Å; R687-E689 PolarHBondContact NH1-OE2 3.42Å; R687-E689 PolarHBondContact O-N 3.27Å; R687-E689 VanDerWaalsContact O-N 3.09Å; E689-K691 VanDerWaalsContact C-N 3.34Å; E689-F749 WeakPolarHBondContact O-CE1 3.44Å; E689-K836 IonicContact OE1-NZ 4Å
690	N	82.7	Confident	84.3	Confident	28 Å²	28	38.5 Å²	38.5	15%	0.15	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-84.6	-6.9	179	-66.6	-31.4	0	0	0	113.1	V685 R687 K688 L692 V731 F749 V752	V685-N690 PolarHBondContact O-ND2 3.13Å; R687-N690 WeakPolarHBondContact O-CB 3.16Å; R687-N690 PolarHBondContact O-N 3.38Å; K688-N690 PolarHBondContact O-N 2.97Å; K688-N690 VanDerWaalsContact O-N 3.16Å; N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 HydrophobicContact CB-CD2 4.33Å; N690-L692 HydrophobicContact CB-CG 4.04Å; N690-L692 PolarHBondContact O-N 3.22Å; N690-V731 HydrophobicContact CB-CG1 4.49Å; N690-F749 WeakPolarHBondContact O-CZ 3.39Å; N690-V752 HydrophobicContact CB-CG2 4.11Å; N690-V752 PolarHBondContact O-N 3.25Å
691	K	80.3	Confident	84.7	Confident	113 Å²	113	38.3 Å²	38.3	49%	0.491	19%	0.185	S	C	.	.			trans	46.4	48.3	179.7	-60.3	-178.3	177.2	-177.8	0	113.3	K688 E689 F749 I750	K688-K691 PolarHBondContact O-N 2.8Å; E689-K691 VanDerWaalsContact C-N 3.34Å; K691-F749 HydrophobicContact CB-CE1 4.23Å; K691-F749 HydrophobicContact CD-CD1 4.08Å; K691-F749 HydrophobicContact CD-CE1 4.19Å; K691-F749 HydrophobicContact CG-CD1 4.38Å; K691-F749 HydrophobicContact CG-CE1 4.05Å; K691-F749 PolarHBondContact NZ-O 3.1Å; K691-I750 WeakPolarHBondContact CD-O 3.23Å
692	L	84.3	Confident	84.9	Confident	40 Å²	40	38.2 Å²	38.2	21%	0.209	19%	0.185	C	C	.	.			trans	-71.2	142.5	177.9	-60.3	173.4	0	0	0	110.7	Q408 L410 V685 N690 V752 E754	Q408-L692 VanDerWaalsContact NE2-CD1 3.33Å; L410-L692 HydrophobicContact CD1-CD2 3.66Å; V685-L692 WeakPolarHBondContact O-CD1 3.42Å; N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 HydrophobicContact CB-CD2 4.33Å; N690-L692 HydrophobicContact CB-CG 4.04Å; N690-L692 PolarHBondContact O-N 3.22Å; L692-V752 HydrophobicContact CD2-CB 3.97Å; L692-E754 HydrophobicContact CD2-CG 3.94Å
693	K	80.9	Confident	85.1	Confident	173 Å²	173	39.6 Å²	39.6	75%	0.752	19%	0.192	S	C	*	.	S	Bend	trans	-107.7	-25.3	-172.1	-65.6	-172.5	178.1	-172.2	0	113.6	G695 E754	K693-G695 VanDerWaalsContact C-N 3.33Å; K693-G695 PolarHBondContact O-N 3.15Å; K693-E754 PolarHBondContact N-OE2 3.46Å
694	K	83.3	Confident	85.5	Confident	27 Å²	27	39.2 Å²	39.2	12%	0.117	19%	0.19	C	C	.	.	S	Bend	trans	-90	13.1	-171.5	-62.8	174.6	-170.5	-164.3	0	114.8	K352 W355 S358 D359 E754	K352-K694 VanDerWaalsContact CE-O 3.3Å; K352-K694 WeakPolarHBondContact CE-O 3.28Å; K352-K694 PolarHBondContact NZ-O 2.88Å; W355-K694 HydrophobicContact CB-CB 4.4Å; W355-K694 HydrophobicContact CB-CD 4.07Å; W355-K694 HydrophobicContact CB-CG 4.22Å; W355-K694 HydrophobicContact CD2-CB 4.43Å; W355-K694 HydrophobicContact CD2-CG 3.92Å; W355-K694 HydrophobicContact CE3-CG 4.19Å; W355-K694 HydrophobicContact CG-CB 4.06Å; W355-K694 HydrophobicContact CG-CD 4.31Å; W355-K694 HydrophobicContact CG-CG 3.93Å; S358-K694 PolarHBondContact OG-NZ 3.41Å; D359-K694 WeakPolarHBondContact OD1-CD 3.47Å; D359-K694 IonicContact OD1-NZ 3.25Å; D359-K694 PolarHBondContact OD1-NZ 2.74Å; K694-E754 VanDerWaalsContact CB-OE2 3.29Å; K694-E754 WeakPolarHBondContact CB-OE2 3.14Å; K694-E754 HydrophobicContact CD-CB 3.87Å; K694-E754 WeakPolarHBondContact CG-OE2 3.41Å; K694-E754 PolarHBondContact N-OE2 2.93Å; K694-E754 PolarHBondContact NZ-O 2.73Å
695	G	77.4	Confident	85.9	Confident	32 Å²	32	38.1 Å²	38.1	33%	0.33	18%	0.184	S	C	.	.			trans	70.4	178	179.9	0	0	0	0	0	114.3	K352 K693	K352-G695 WeakPolarHBondContact CE-O 3.38Å; K352-G695 PolarHBondContact NZ-O 3.39Å; K693-G695 VanDerWaalsContact C-N 3.33Å; K693-G695 PolarHBondContact O-N 3.15Å
696	C	82.4	Confident	86.2	Confident	18 Å²	18	38 Å²	38	12%	0.122	18%	0.183	C	C	.	.			trans	-107.9	164.5	178.7	52.7	0	0	0	0	112	A334 R351 N686 Y698	A334-C696 WeakPolarHBondContact CB-SG 3.06Å; R351-C696 PolarHBondContact NH1-O 2.63Å; N686-C696 HydrophobicContact CB-CB 4.48Å; N686-C696 VanDerWaalsContact ND2-CB 3.29Å; N686-C696 WeakPolarHBondContact ND2-CB 3.34Å; C696-Y698 HydrophobicContact CB-CD2 4.27Å; C696-Y698 HydrophobicContact CB-CE2 3.75Å; C696-Y698 WeakPolarHBondContact SG-CE2 3.47Å
697	G	87.3	Confident	86.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.			trans	-147.6	68.2	-179.5	0	0	0	0	0	113.4	L700 D701	G697-L700 PolarHBondContact O-N 3.5Å; G697-D701 VanDerWaalsContact O-CG 3.24Å; G697-D701 PolarHBondContact O-N 3.3Å; G697-D701 VanDerWaalsContact O-N 3.15Å
698	Y	89	Confident	87.1	Confident	11 Å²	11	38.5 Å²	38.5	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-36.5	-173.9	-62.2	-78	0	0	0	114.1	L335 D348 V464 V682 V683 C696 L702	L335-Y698 HydrophobicContact CD1-CE2 4.16Å; L335-Y698 HydrophobicContact CD2-CD2 3.71Å; L335-Y698 HydrophobicContact CD2-CE2 3.88Å; L335-Y698 HydrophobicContact CD2-CG 4.3Å; L335-Y698 HydrophobicContact CG-CD2 4.18Å; L335-Y698 HydrophobicContact CG-CE2 4Å; D348-Y698 PolarHBondContact OD2-N 2.96Å; D348-Y698 VanDerWaalsContact OD2-N 3.16Å; V464-Y698 HydrophobicContact CG1-CD1 4.35Å; V464-Y698 HydrophobicContact CG1-CE1 4.19Å; V682-Y698 HydrophobicContact CB-CD1 4.3Å; V682-Y698 HydrophobicContact CB-CE1 4.31Å; V682-Y698 HydrophobicContact CG1-CD1 3.6Å; V682-Y698 HydrophobicContact CG1-CE1 3.62Å; V683-Y698 HydrophobicContact CG2-CE1 3.66Å; C696-Y698 HydrophobicContact CB-CD2 4.27Å; C696-Y698 HydrophobicContact CB-CE2 3.75Å; C696-Y698 WeakPolarHBondContact SG-CE2 3.47Å; Y698-L702 PolarHBondContact O-N 2.92Å
699	H	91.3	Very high	87.8	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-75.2	-36.9	-179	-58.2	75.8	0	0	0	110.7	L345 D348 D459 S461 L702 L703	L345-H699 HydrophobicContact CB-CB 4.17Å; L345-H699 HydrophobicContact CD1-CB 4.32Å; D348-H699 WeakPolarHBondContact OD2-CB 3.42Å; D348-H699 IonicContact OD2-CG 3.12Å; D348-H699 PolarHBondContact OD2-N 3.14Å; D348-H699 IonicContact OD2-ND1 2.73Å; D348-H699 PolarHBondContact OD2-ND1 3.14Å; D459-H699 IonicContact OD1-CD2 3.31Å; D459-H699 IonicContact OD1-NE2 2.64Å; S461-H699 PolarHBondContact OG-CD2 3.38Å; S461-H699 PolarHBondContact OG-CE1 3.37Å; S461-H699 VanDerWaalsContact OG-CG 3.3Å; S461-H699 PolarHBondContact OG-NE2 3.34Å; H699-L702 PolarHBondContact O-N 3.27Å; H699-L703 WeakPolarHBondContact O-CB 3.3Å; H699-L703 PolarHBondContact O-N 2.95Å
700	L	91	Very high	88.6	Confident	29 Å²	29	30.4 Å²	30.4	15%	0.152	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-43	178.3	-178.5	60.2	0	0	0	111.4	L345 D348 V349 G697 L702 L703 L704	L345-L700 HydrophobicContact CD1-CB 4.21Å; L345-L700 HydrophobicContact CD1-CD1 4.16Å; D348-L700 HydrophobicContact CB-CB 4.35Å; V349-L700 HydrophobicContact CG2-CD1 4.02Å; V349-L700 HydrophobicContact CG2-CD2 4.45Å; G697-L700 PolarHBondContact O-N 3.5Å; L700-L702 VanDerWaalsContact C-N 3.35Å; L700-L703 PolarHBondContact O-N 3.44Å; L700-L704 WeakPolarHBondContact O-CB 3.5Å; L700-L704 PolarHBondContact O-N 3.49Å
701	D	92.5	Very high	89	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-40.7	177.6	-65	-23.5	0	0	0	111.1	Y402 A406 G407 Q408 H678 G697 L704 I705	Y402-D701 HydrophobicContact CE2-CB 4.47Å; A406-D701 WeakPolarHBondContact CA-OD1 3.33Å; A406-D701 WeakPolarHBondContact CB-OD1 3.19Å; G407-D701 VanDerWaalsContact CA-OD1 3.28Å; G407-D701 WeakPolarHBondContact CA-OD1 3.36Å; G407-D701 PolarHBondContact N-OD1 3.41Å; Q408-D701 WeakPolarHBondContact CB-OD2 3.4Å; Q408-D701 PolarHBondContact N-OD1 3.09Å; Q408-D701 PolarHBondContact N-OD2 3.44Å; H678-D701 VanDerWaalsContact NE2-CB 3.28Å; H678-D701 WeakPolarHBondContact NE2-CB 3.25Å; G697-D701 VanDerWaalsContact O-CG 3.24Å; G697-D701 PolarHBondContact O-N 3.3Å; G697-D701 VanDerWaalsContact O-N 3.15Å; D701-L704 WeakPolarHBondContact O-CB 3.39Å; D701-L704 PolarHBondContact O-N 3.46Å; D701-I705 PolarHBondContact O-N 3.48Å; D701-I705 VanDerWaalsContact O-N 3.08Å
702	L	91	Very high	89.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-40.8	177	-170.2	66.1	0	0	0	113	L452 I455 V456 F675 Y698 H699 L700 L704 I705 A706	L452-L702 HydrophobicContact CD2-CD1 3.8Å; L452-L702 HydrophobicContact CD2-CG 4.42Å; I455-L702 HydrophobicContact CB-CD2 4.39Å; I455-L702 HydrophobicContact CG2-CD2 3.6Å; V456-L702 HydrophobicContact CG2-CB 3.93Å; V456-L702 HydrophobicContact CG2-CD2 3.69Å; V456-L702 HydrophobicContact CG2-CG 3.76Å; F675-L702 HydrophobicContact CD2-CD1 4.02Å; F675-L702 HydrophobicContact CD2-CD2 3.92Å; F675-L702 HydrophobicContact CE2-CD2 3.99Å; Y698-L702 PolarHBondContact O-N 2.92Å; H699-L702 PolarHBondContact O-N 3.27Å; L700-L702 VanDerWaalsContact C-N 3.35Å; L702-L704 VanDerWaalsContact C-N 3.27Å; L702-L704 PolarHBondContact O-N 3.34Å; L702-I705 PolarHBondContact O-N 3.41Å; L702-A706 PolarHBondContact O-N 3.03Å; L702-A706 VanDerWaalsContact O-N 3.08Å
703	L	93.1	Very high	89.7	Confident	29 Å²	29	24.1 Å²	24.1	15%	0.152	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-41.3	174.1	-179.8	69.3	0	0	0	111	L345 V456 H699 L700 I705 A706 F707	L345-L703 HydrophobicContact CD1-CB 4.29Å; L345-L703 HydrophobicContact CD1-CD2 3.84Å; L345-L703 HydrophobicContact CD2-CD2 3.74Å; L345-L703 HydrophobicContact CG-CD2 4.44Å; V456-L703 HydrophobicContact CG1-CB 4.38Å; V456-L703 HydrophobicContact CG2-CB 4.29Å; H699-L703 WeakPolarHBondContact O-CB 3.3Å; H699-L703 PolarHBondContact O-N 2.95Å; L700-L703 PolarHBondContact O-N 3.44Å; L703-I705 VanDerWaalsContact C-N 3.32Å; L703-I705 PolarHBondContact O-N 2.76Å; L703-A706 VanDerWaalsContact O-CB 3.3Å; L703-A706 WeakPolarHBondContact O-CB 3.38Å; L703-A706 PolarHBondContact O-N 3.38Å; L703-A706 VanDerWaalsContact O-N 3.12Å; L703-F707 HydrophobicContact CD1-CD2 4.36Å; L703-F707 HydrophobicContact CD1-CE2 3.84Å; L703-F707 HydrophobicContact CD2-CE2 4.25Å; L703-F707 HydrophobicContact CG-CD2 4.09Å; L703-F707 HydrophobicContact CG-CE2 3.81Å; L703-F707 VanDerWaalsContact O-CD2 3.3Å; L703-F707 WeakPolarHBondContact O-CD2 3.41Å; L703-F707 PolarHBondContact O-N 2.98Å; L703-F707 VanDerWaalsContact O-N 3.14Å
704	L	93.5	Very high	90.2	Very high	13 Å²	13	20.1 Å²	20.1	7%	0.068	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-179.8	-167.7	52.4	0	0	0	111.5	M401 Y402 F405 A406 L700 D701 L702 A706 F707 V708	M401-L704 HydrophobicContact CE-CD1 4.02Å; M401-L704 HydrophobicContact CG-CD1 4.18Å; M401-L704 HydrophobicContact SD-CD1 4.46Å; Y402-L704 HydrophobicContact CD2-CB 4.41Å; Y402-L704 HydrophobicContact CD2-CD2 3.48Å; Y402-L704 VanDerWaalsContact CD2-CD2 3.48Å; Y402-L704 HydrophobicContact CD2-CG 3.87Å; Y402-L704 HydrophobicContact CE2-CD2 4.09Å; Y402-L704 HydrophobicContact CG-CD2 4.14Å; F405-L704 HydrophobicContact CB-CD1 3.88Å; F405-L704 HydrophobicContact CB-CD2 3.79Å; A406-L704 HydrophobicContact CB-CD2 4.07Å; A406-L704 VanDerWaalsContact N-CD2 3.33Å; L700-L704 WeakPolarHBondContact O-CB 3.5Å; L700-L704 PolarHBondContact O-N 3.49Å; D701-L704 WeakPolarHBondContact O-CB 3.39Å; D701-L704 PolarHBondContact O-N 3.46Å; L702-L704 VanDerWaalsContact C-N 3.27Å; L702-L704 PolarHBondContact O-N 3.34Å; L704-A706 VanDerWaalsContact C-N 3.33Å; L704-A706 PolarHBondContact O-N 3.47Å; L704-F707 PolarHBondContact O-N 3.37Å; L704-V708 WeakPolarHBondContact O-CG2 3.39Å; L704-V708 PolarHBondContact O-N 2.93Å
705	I	93	Very high	90.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-38.5	171.4	-70.8	-169	0	0	0	112.1	L452 H678 D701 L702 L703 F707 V708 C709	L452-I705 HydrophobicContact CD1-CG2 4.03Å; H678-I705 HydrophobicContact CB-CD1 3.64Å; H678-I705 WeakPolarHBondContact CD2-CD1 3.41Å; H678-I705 WeakPolarHBondContact CE1-CD1 3.41Å; H678-I705 WeakPolarHBondContact ND1-CD1 3.1Å; H678-I705 WeakPolarHBondContact NE2-CD1 3.33Å; D701-I705 PolarHBondContact O-N 3.48Å; D701-I705 VanDerWaalsContact O-N 3.08Å; L702-I705 PolarHBondContact O-N 3.41Å; L703-I705 VanDerWaalsContact C-N 3.32Å; L703-I705 PolarHBondContact O-N 2.76Å; I705-F707 VanDerWaalsContact C-N 3.28Å; I705-F707 PolarHBondContact O-N 3.41Å; I705-V708 WeakPolarHBondContact O-CB 3.33Å; I705-V708 PolarHBondContact O-N 3.17Å; I705-V708 VanDerWaalsContact O-N 3.12Å; I705-C709 PolarHBondContact O-N 2.92Å; I705-C709 PolarHBondContact O-SG 3.24Å
706	A	93.8	Very high	90.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.1	-45.8	174.8	0	0	0	0	0	110.5	F449 L452 L702 L703 L704 C709 L710	F449-A706 HydrophobicContact CD2-CB 3.81Å; F449-A706 VanDerWaalsContact CD2-O 3.29Å; F449-A706 WeakPolarHBondContact CD2-O 3.48Å; F449-A706 HydrophobicContact CE2-CB 4.36Å; L452-A706 HydrophobicContact CB-CB 3.72Å; L452-A706 HydrophobicContact CD1-CB 4.27Å; L702-A706 PolarHBondContact O-N 3.03Å; L702-A706 VanDerWaalsContact O-N 3.08Å; L703-A706 VanDerWaalsContact O-CB 3.3Å; L703-A706 WeakPolarHBondContact O-CB 3.38Å; L703-A706 PolarHBondContact O-N 3.38Å; L703-A706 VanDerWaalsContact O-N 3.12Å; L704-A706 VanDerWaalsContact C-N 3.33Å; L704-A706 PolarHBondContact O-N 3.47Å; A706-C709 WeakPolarHBondContact O-CB 3.46Å; A706-C709 PolarHBondContact O-N 2.74Å; A706-L710 PolarHBondContact O-N 3.29Å; A706-L710 VanDerWaalsContact O-N 3.08Å
707	F	93.7	Very high	90.9	Very high	87 Å²	87	19.8 Å²	19.8	38%	0.382	9%	0.093	S	C	.	.	H	α-helix	trans	-66.2	-36	175.1	-75.6	-70	0	0	0	113.4	M401 F449 L703 L704 I705 C709 L710 I711	M401-F707 HydrophobicContact CE-CB 4.47Å; F449-F707 HydrophobicContact CE2-CD1 4.16Å; F449-F707 HydrophobicContact CE2-CE1 4.1Å; F449-F707 HydrophobicContact CZ-CE1 4.49Å; L703-F707 HydrophobicContact CD1-CD2 4.36Å; L703-F707 HydrophobicContact CD1-CE2 3.84Å; L703-F707 HydrophobicContact CD2-CE2 4.25Å; L703-F707 HydrophobicContact CG-CD2 4.09Å; L703-F707 HydrophobicContact CG-CE2 3.81Å; L703-F707 VanDerWaalsContact O-CD2 3.3Å; L703-F707 WeakPolarHBondContact O-CD2 3.41Å; L703-F707 PolarHBondContact O-N 2.98Å; L703-F707 VanDerWaalsContact O-N 3.14Å; L704-F707 PolarHBondContact O-N 3.37Å; I705-F707 VanDerWaalsContact C-N 3.28Å; I705-F707 PolarHBondContact O-N 3.41Å; F707-C709 VanDerWaalsContact C-N 3.33Å; F707-C709 PolarHBondContact O-N 2.9Å; F707-L710 PolarHBondContact O-N 3.19Å; F707-I711 WeakPolarHBondContact O-CG1 3.37Å; F707-I711 PolarHBondContact O-N 3.03Å
708	V	92.5	Very high	90.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.4	-47.2	171.1	170.5	0	0	0	0	110.3	C398 M401 L704 I705 L710 I711 T712	C398-V708 HydrophobicContact CB-CG1 4.07Å; C398-V708 HydrophobicContact CB-CG2 4.41Å; M401-V708 HydrophobicContact CE-CB 4.13Å; M401-V708 HydrophobicContact CE-CG2 3.19Å; L704-V708 WeakPolarHBondContact O-CG2 3.39Å; L704-V708 PolarHBondContact O-N 2.93Å; I705-V708 WeakPolarHBondContact O-CB 3.33Å; I705-V708 PolarHBondContact O-N 3.17Å; I705-V708 VanDerWaalsContact O-N 3.12Å; V708-L710 VanDerWaalsContact C-N 3.32Å; V708-L710 PolarHBondContact O-N 3.43Å; V708-I711 PolarHBondContact O-N 3.42Å; V708-T712 HydrophobicContact CG1-CG2 4.17Å; V708-T712 WeakPolarHBondContact O-CB 3.23Å; V708-T712 WeakPolarHBondContact O-CG2 3.32Å; V708-T712 PolarHBondContact O-N 3.03Å; V708-T712 PolarHBondContact O-OG1 3.41Å
709	C	92.9	Very high	90.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.3	-42.8	176.4	-71	0	0	0	0	112	N445 L674 I705 A706 F707 T712 G713	N445-C709 WeakPolarHBondContact CB-O 2.82Å; L674-C709 WeakPolarHBondContact CD1-SG 3.44Å; I705-C709 PolarHBondContact O-N 2.92Å; I705-C709 PolarHBondContact O-SG 3.24Å; A706-C709 WeakPolarHBondContact O-CB 3.46Å; A706-C709 PolarHBondContact O-N 2.74Å; F707-C709 VanDerWaalsContact C-N 3.33Å; F707-C709 PolarHBondContact O-N 2.9Å; C709-T712 WeakPolarHBondContact CA-OG1 3.45Å; C709-T712 PolarHBondContact O-OG1 3.25Å; C709-T712 VanDerWaalsContact O-OG1 3.1Å; C709-G713 PolarHBondContact O-N 3.04Å
710	L	93.9	Very high	90.4	Very high	33 Å²	33	19.8 Å²	19.8	17%	0.173	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-49.5	177.9	-172.8	65.7	0	0	0	112	F446 F449 A706 F707 V708 G713 F714	F446-L710 HydrophobicContact CD2-CD1 4.02Å; F449-L710 HydrophobicContact CB-CB 4.32Å; F449-L710 HydrophobicContact CD1-CD1 4.19Å; F449-L710 HydrophobicContact CD2-CB 4.14Å; F449-L710 HydrophobicContact CD2-CD2 4.49Å; F449-L710 HydrophobicContact CE1-CD2 4.37Å; F449-L710 HydrophobicContact CE2-CD2 4.32Å; F449-L710 HydrophobicContact CG-CB 4.17Å; F449-L710 HydrophobicContact CG-CD1 4.34Å; F449-L710 HydrophobicContact CZ-CD2 4.26Å; A706-L710 PolarHBondContact O-N 3.29Å; A706-L710 VanDerWaalsContact O-N 3.08Å; F707-L710 PolarHBondContact O-N 3.19Å; V708-L710 VanDerWaalsContact C-N 3.32Å; V708-L710 PolarHBondContact O-N 3.43Å; L710-G713 PolarHBondContact O-N 3.27Å; L710-F714 HydrophobicContact CD1-CD2 4.27Å; L710-F714 HydrophobicContact CD1-CE2 3.68Å; L710-F714 HydrophobicContact CD2-CE2 4.49Å; L710-F714 HydrophobicContact CG-CD2 4.16Å; L710-F714 HydrophobicContact CG-CE2 3.83Å; L710-F714 VanDerWaalsContact O-CD2 3.24Å; L710-F714 WeakPolarHBondContact O-CD2 3.22Å; L710-F714 PolarHBondContact O-N 3.42Å; L710-F714 VanDerWaalsContact O-N 3.11Å
711	I	92.5	Very high	90.2	Very high	48 Å²	48	18.4 Å²	18.4	25%	0.246	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-49	-179.3	-67.9	167.5	0	0	0	110.4	I397 M401 F707 V708 G713 F714 F715	I397-I711 HydrophobicContact CG2-CG2 4.43Å; M401-I711 HydrophobicContact CE-CD1 3.94Å; M401-I711 HydrophobicContact SD-CD1 3.38Å; M401-I711 WeakPolarHBondContact SD-CD1 3.07Å; F707-I711 WeakPolarHBondContact O-CG1 3.37Å; F707-I711 PolarHBondContact O-N 3.03Å; V708-I711 PolarHBondContact O-N 3.42Å; I711-G713 PolarHBondContact O-N 3.25Å; I711-F714 PolarHBondContact O-N 3.17Å; I711-F715 HydrophobicContact CG2-CD2 3.86Å; I711-F715 HydrophobicContact CG2-CE2 3.98Å; I711-F715 VanDerWaalsContact O-CD2 3.3Å; I711-F715 WeakPolarHBondContact O-CD2 3.29Å; I711-F715 PolarHBondContact O-N 3.41Å; I711-F715 VanDerWaalsContact O-N 3.15Å
712	T	89.8	Confident	90	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-30.8	177.3	53.3	0	0	0	0	112.4	C398 V708 C709 G716 L717	C398-T712 VanDerWaalsContact SG-CG2 3.59Å; V708-T712 HydrophobicContact CG1-CG2 4.17Å; V708-T712 WeakPolarHBondContact O-CB 3.23Å; V708-T712 WeakPolarHBondContact O-CG2 3.32Å; V708-T712 PolarHBondContact O-N 3.03Å; V708-T712 PolarHBondContact O-OG1 3.41Å; C709-T712 WeakPolarHBondContact CA-OG1 3.45Å; C709-T712 PolarHBondContact O-OG1 3.25Å; C709-T712 VanDerWaalsContact O-OG1 3.1Å; T712-G716 CarbonylContact O-C 3.54Å; T712-G716 VanDerWaalsContact O-CA 3.3Å; T712-G716 WeakPolarHBondContact O-CA 3.33Å; T712-G716 PolarHBondContact O-N 3.07Å; T712-L717 HydrophobicContact CG2-CB 4.13Å; T712-L717 PolarHBondContact O-N 3Å
713	G	90	Very high	89.7	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-55.4	169.4	0	0	0	0	0	112.5	F442 C709 L710 I711 F715 G716	F442-G713 WeakPolarHBondContact CD2-O 3.46Å; C709-G713 PolarHBondContact O-N 3.04Å; L710-G713 PolarHBondContact O-N 3.27Å; I711-G713 PolarHBondContact O-N 3.25Å; G713-F715 PolarHBondContact O-N 3.34Å; G713-G716 PolarHBondContact O-N 3.09Å; G713-G716 VanDerWaalsContact O-N 3.09Å
714	F	90.5	Very high	89.3	Confident	88 Å²	88	18.6 Å²	18.6	39%	0.386	9%	0.091	S	C	.	.	H	α-helix	trans	-60.9	-41.2	-178.2	-81.8	-69.9	0	0	0	113.7	F442 L647 V648 L710 I711 G716	F442-F714 AromaticContact CE2-CD1 3.64Å; F442-F714 HydrophobicContact CE2-CD1 3.64Å; F442-F714 AromaticContact CE2-CE1 3.7Å; F442-F714 HydrophobicContact CE2-CE1 3.7Å; F442-F714 HydrophobicContact CE2-CG 4.09Å; F442-F714 HydrophobicContact CE2-CZ 4.21Å; F442-F714 HydrophobicContact CZ-CD1 4.44Å; F442-F714 HydrophobicContact CZ-CE1 4.06Å; F442-F714 HydrophobicContact CZ-CZ 4.41Å; L647-F714 HydrophobicContact CD1-CB 4.21Å; L647-F714 HydrophobicContact CD1-CD1 4.3Å; V648-F714 WeakPolarHBondContact CG2-O 3.12Å; V648-F714 PolarHBondContact N-O 3.4Å; L710-F714 HydrophobicContact CD1-CD2 4.27Å; L710-F714 HydrophobicContact CD1-CE2 3.68Å; L710-F714 HydrophobicContact CD2-CE2 4.49Å; L710-F714 HydrophobicContact CG-CD2 4.16Å; L710-F714 HydrophobicContact CG-CE2 3.83Å; L710-F714 VanDerWaalsContact O-CD2 3.24Å; L710-F714 WeakPolarHBondContact O-CD2 3.22Å; L710-F714 PolarHBondContact O-N 3.42Å; L710-F714 VanDerWaalsContact O-N 3.11Å; I711-F714 PolarHBondContact O-N 3.17Å; F714-G716 VanDerWaalsContact C-N 3.31Å
715	F	87.7	Confident	88.5	Confident	67 Å²	67	20.5 Å²	20.5	29%	0.294	10%	0.102	S	C	.	.	H	α-helix	trans	-84.1	-8.6	177.5	-68.4	-74.1	0	0	0	113.1	R644 W646 I711 G713 L717	R644-F715 PolarHBondContact NH2-O 2.71Å; R644-F715 VanDerWaalsContact NH2-O 3.07Å; W646-F715 HydrophobicContact CB-CD1 4.31Å; W646-F715 CarbonylContact O-C 3.56Å; W646-F715 WeakPolarHBondContact O-CA 3.14Å; I711-F715 HydrophobicContact CG2-CD2 3.86Å; I711-F715 HydrophobicContact CG2-CE2 3.98Å; I711-F715 VanDerWaalsContact O-CD2 3.3Å; I711-F715 WeakPolarHBondContact O-CD2 3.29Å; I711-F715 PolarHBondContact O-N 3.41Å; I711-F715 VanDerWaalsContact O-N 3.15Å; G713-F715 PolarHBondContact O-N 3.34Å; F715-L717 HydrophobicContact CB-CB 4.47Å; F715-L717 HydrophobicContact CB-CD1 3.56Å; F715-L717 HydrophobicContact CB-CD2 4.45Å; F715-L717 HydrophobicContact CB-CG 3.51Å; F715-L717 HydrophobicContact CD2-CD1 4.46Å; F715-L717 HydrophobicContact CG-CD1 4.2Å; F715-L717 PolarHBondContact O-N 2.84Å
716	G	83.8	Confident	87.9	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	29.6	-175.8	0	0	0	0	0	113.5	R441 V648 T712 G713 F714	R441-G716 PolarHBondContact NH1-O 2.95Å; V648-G716 VanDerWaalsContact CG2-CA 3.44Å; V648-G716 VanDerWaalsContact CG2-N 3.33Å; T712-G716 CarbonylContact O-C 3.54Å; T712-G716 VanDerWaalsContact O-CA 3.3Å; T712-G716 WeakPolarHBondContact O-CA 3.33Å; T712-G716 PolarHBondContact O-N 3.07Å; G713-G716 PolarHBondContact O-N 3.09Å; G713-G716 VanDerWaalsContact O-N 3.09Å; F714-G716 VanDerWaalsContact C-N 3.31Å
717	L	85.7	Confident	87.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-85.1	157.6	-178.1	-65.4	174.8	0	0	0	111.2	E390 F393 R441 W646 T712 F715	E390-L717 HydrophobicContact CB-CD2 3.78Å; E390-L717 HydrophobicContact CG-CD2 4.16Å; F393-L717 HydrophobicContact CD1-CD1 3.75Å; F393-L717 HydrophobicContact CD1-CD2 4.06Å; F393-L717 HydrophobicContact CE1-CD1 4.09Å; R441-L717 PolarHBondContact NE-O 3.07Å; R441-L717 VanDerWaalsContact NE-O 3.17Å; W646-L717 HydrophobicContact CZ3-CD2 4.45Å; T712-L717 HydrophobicContact CG2-CB 4.13Å; T712-L717 PolarHBondContact O-N 3Å; F715-L717 HydrophobicContact CB-CB 4.47Å; F715-L717 HydrophobicContact CB-CD1 3.56Å; F715-L717 HydrophobicContact CB-CD2 4.45Å; F715-L717 HydrophobicContact CB-CG 3.51Å; F715-L717 HydrophobicContact CD2-CD1 4.46Å; F715-L717 HydrophobicContact CG-CD1 4.2Å; F715-L717 PolarHBondContact O-N 2.84Å
718	P	83.9	Confident	87.1	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.019	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-66.9	144.9	172.1	17	-16.3	0	0	0	112.8	N391 S394 F720	N391-P718 WeakPolarHBondContact OD1-CG 3.16Å; S394-P718 PolarHBondContact OG-O 3.38Å; P718-F720 HydrophobicContact CB-CE2 4.49Å; P718-F720 HydrophobicContact CG-CE2 4.33Å; P718-F720 WeakPolarHBondContact O-CD2 3.42Å
719	I	86.4	Confident	86.3	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-79.9	132.1	-179.2	-52.4	165.8	0	0	0	108.6	V419 E423 N445 L670 L674 V721	V419-I719 HydrophobicContact CG1-CB 4.12Å; E423-I719 PolarHBondContact OE1-N 2.86Å; N445-I719 WeakPolarHBondContact OD1-CD1 3.27Å; N445-I719 WeakPolarHBondContact OD1-CG1 3.46Å; L670-I719 HydrophobicContact CD1-CD1 4.04Å; L670-I719 HydrophobicContact CD2-CD1 3.46Å; L670-I719 VanDerWaalsContact CD2-CD1 3.46Å; L670-I719 HydrophobicContact CG-CD1 4.27Å; L674-I719 HydrophobicContact CD2-CG2 3.93Å; I719-V721 HydrophobicContact CG2-CG2 4.33Å
720	F	86.7	Confident	85.7	Confident	10 Å²	10	20.6 Å²	20.6	4%	0.044	11%	0.107	C	C	.	.			trans	-107.6	129.9	179	-90.5	-116.6	0	0	0	108	N391 S394 C398 I413 P718	N391-F720 WeakPolarHBondContact O-CZ 3.3Å; S394-F720 WeakPolarHBondContact OG-CD2 3.18Å; C398-F720 HydrophobicContact CB-CB 4.21Å; I413-F720 HydrophobicContact CG2-CB 3.42Å; I413-F720 VanDerWaalsContact CG2-CB 3.42Å; I413-F720 HydrophobicContact CG2-CD1 4.46Å; I413-F720 HydrophobicContact CG2-CG 4.46Å; I413-F720 VanDerWaalsContact CG2-O 3.28Å; I413-F720 WeakPolarHBondContact CG2-O 3.26Å; P718-F720 HydrophobicContact CB-CE2 4.49Å; P718-F720 HydrophobicContact CG-CE2 4.33Å; P718-F720 WeakPolarHBondContact O-CD2 3.42Å
721	V	87	Confident	85.2	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.1	-179.2	-174.8	0	0	0	0	109.7	I413 G414 T416 V419 L674 D677 H678 I719 A723	I413-V721 WeakPolarHBondContact CA-O 3.37Å; I413-V721 VanDerWaalsContact CG2-O 3.24Å; I413-V721 WeakPolarHBondContact CG2-O 3.45Å; G414-V721 PolarHBondContact N-O 3.09Å; G414-V721 PolarHBondContact O-N 3.39Å; T416-V721 HydrophobicContact CG2-CB 4.16Å; V419-V721 HydrophobicContact CG2-CG2 3.78Å; L674-V721 HydrophobicContact CD2-CG2 3.24Å; D677-V721 HydrophobicContact CB-CG1 3.89Å; H678-V721 HydrophobicContact CB-CG1 4.37Å; I719-V721 HydrophobicContact CG2-CG2 4.33Å; V721-A723 PolarHBondContact O-N 3.24Å; V721-A723 VanDerWaalsContact O-N 3.17Å
722	A	89	Confident	84.6	Confident	1 Å²	1	21 Å²	21	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	124.5	176.8	0	0	0	0	0	111	H678 T681	H678-A722 WeakPolarHBondContact ND1-CB 3.4Å; T681-A722 HydrophobicContact CG2-CB 4.1Å; T681-A722 WeakPolarHBondContact CG2-O 3.25Å; T681-A722 WeakPolarHBondContact OG1-CB 3.33Å
723	A	85	Confident	83.8	Confident	14 Å²	14	23.3 Å²	23.3	12%	0.116	13%	0.129	C	C	.	.			trans	-96.9	118.2	-177.9	0	0	0	0	0	109.6	M412 V721 M726 S727	M412-A723 PolarHBondContact O-N 3.26Å; V721-A723 PolarHBondContact O-N 3.24Å; V721-A723 VanDerWaalsContact O-N 3.17Å; A723-M726 HydrophobicContact CB-CB 3.89Å; A723-M726 HydrophobicContact CB-CG 3.85Å; A723-M726 PolarHBondContact O-N 2.8Å; A723-S727 WeakPolarHBondContact O-CB 3.48Å; A723-S727 PolarHBondContact O-N 3.01Å; A723-S727 PolarHBondContact O-OG 3.45Å
724	T	83.3	Confident	83.2	Confident	18 Å²	18	23.9 Å²	23.9	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-56.6	-54.8	-175.3	49.6	0	0	0	0	112.4	F475 T681 I684 M726 S727 I728	F475-T724 HydrophobicContact CE1-CG2 4.3Å; T681-T724 HydrophobicContact CG2-CG2 3.23Å; I684-T724 HydrophobicContact CD1-CG2 4.34Å; T724-M726 VanDerWaalsContact C-N 3.32Å; T724-M726 PolarHBondContact O-N 3.41Å; T724-S727 PolarHBondContact O-N 3.25Å; T724-I728 WeakPolarHBondContact O-CG1 3.24Å; T724-I728 PolarHBondContact O-N 3Å
725	V	78.1	Confident	82.6	Confident	52 Å²	52	25.9 Å²	25.9	32%	0.315	14%	0.136	S	C	.	.	H	α-helix	trans	-63.2	-40.1	-175.9	178.9	0	0	0	0	111.5	F483 S729	F483-V725 HydrophobicContact CD2-CG2 4.49Å; F483-V725 HydrophobicContact CE2-CG2 4.24Å; V725-S729 WeakPolarHBondContact O-CB 3.26Å; V725-S729 PolarHBondContact O-N 3.42Å; V725-S729 VanDerWaalsContact O-N 3.13Å; V725-S729 PolarHBondContact O-OG 3.36Å
726	M	80.2	Confident	81.8	Confident	15 Å²	15	25.8 Å²	25.8	7%	0.074	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-48.4	177.9	-67	-58.2	-55.8	0	0	110.7	F372 R375 L376 M412 A723 T724 S729 H730	F372-M726 HydrophobicContact CD1-CE 4.09Å; F372-M726 HydrophobicContact CE1-CE 4.18Å; R375-M726 HydrophobicContact CB-CE 4.28Å; R375-M726 HydrophobicContact CG-CE 4.28Å; R375-M726 HydrophobicContact CG-SD 3.9Å; L376-M726 HydrophobicContact CD1-CE 3.96Å; L376-M726 HydrophobicContact CD2-CE 4.09Å; L376-M726 HydrophobicContact CG-CE 3.53Å; M412-M726 HydrophobicContact CB-CB 4.13Å; A723-M726 HydrophobicContact CB-CB 3.89Å; A723-M726 HydrophobicContact CB-CG 3.85Å; A723-M726 PolarHBondContact O-N 2.8Å; T724-M726 VanDerWaalsContact C-N 3.32Å; T724-M726 PolarHBondContact O-N 3.41Å; M726-S729 PolarHBondContact O-N 3.32Å; M726-S729 PolarHBondContact O-OG 2.87Å; M726-H730 PolarHBondContact O-N 3.37Å
727	S	86.5	Confident	81	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-45.4	-179.2	-55.7	0	0	0	0	112.1	M412 A723 T724 S729 H730 V731	M412-S727 PolarHBondContact N-OG 2.98Å; A723-S727 WeakPolarHBondContact O-CB 3.48Å; A723-S727 PolarHBondContact O-N 3.01Å; A723-S727 PolarHBondContact O-OG 3.45Å; T724-S727 PolarHBondContact O-N 3.25Å; S727-S729 VanDerWaalsContact C-N 3.3Å; S727-S729 PolarHBondContact O-N 3.15Å; S727-H730 WeakPolarHBondContact O-CB 3.42Å; S727-H730 PolarHBondContact O-N 3.21Å; S727-H730 VanDerWaalsContact O-N 3.11Å; S727-V731 WeakPolarHBondContact O-CG2 3.31Å; S727-V731 PolarHBondContact O-N 2.97Å
728	I	83	Confident	80	Confident	66 Å²	66	29.8 Å²	29.8	34%	0.338	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-39.4	176.7	-68.4	160.2	0	0	0	111.3	I684 T724 H730 V731 N732	I684-I728 HydrophobicContact CG2-CD1 3.75Å; I684-I728 HydrophobicContact CG2-CG1 3.83Å; T724-I728 WeakPolarHBondContact O-CG1 3.24Å; T724-I728 PolarHBondContact O-N 3Å; I728-H730 VanDerWaalsContact C-N 3.28Å; I728-H730 PolarHBondContact O-N 3.41Å; I728-V731 PolarHBondContact O-N 3.03Å; I728-N732 WeakPolarHBondContact CG2-ND2 3.03Å; I728-N732 WeakPolarHBondContact O-CB 3.41Å; I728-N732 PolarHBondContact O-N 3.01Å; I728-N732 PolarHBondContact O-ND2 3.12Å; I728-N732 VanDerWaalsContact O-ND2 3.09Å
729	S	76.5	Confident	78.8	Confident	8 Å²	8	37.8 Å²	37.8	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-34	176.9	74.4	0	0	0	0	112.5	V725 M726 S727 A733	V725-S729 WeakPolarHBondContact O-CB 3.26Å; V725-S729 PolarHBondContact O-N 3.42Å; V725-S729 VanDerWaalsContact O-N 3.13Å; V725-S729 PolarHBondContact O-OG 3.36Å; M726-S729 PolarHBondContact O-N 3.32Å; M726-S729 PolarHBondContact O-OG 2.87Å; S727-S729 VanDerWaalsContact C-N 3.3Å; S727-S729 PolarHBondContact O-N 3.15Å; S729-A733 PolarHBondContact O-N 2.88Å; S729-A733 VanDerWaalsContact O-N 3.08Å
730	H	80.9	Confident	77.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-45.6	175.1	-173.9	-140.5	0	0	0	112.5	F372 L410 M412 M726 S727 I728 N732 A733 L734 T758	F372-H730 HydrophobicContact CE1-CB 3.9Å; F372-H730 HydrophobicContact CE2-CB 4.15Å; F372-H730 AromaticContact CE2-CD2 3.53Å; F372-H730 HydrophobicContact CZ-CB 3.38Å; F372-H730 AromaticContact CZ-CD2 3.69Å; F372-H730 AromaticContact CZ-CG 3.83Å; L410-H730 PolarHBondContact O-ND1 2.99Å; M412-H730 HydrophobicContact CG-CB 4.23Å; M726-H730 PolarHBondContact O-N 3.37Å; S727-H730 WeakPolarHBondContact O-CB 3.42Å; S727-H730 PolarHBondContact O-N 3.21Å; S727-H730 VanDerWaalsContact O-N 3.11Å; I728-H730 VanDerWaalsContact C-N 3.28Å; I728-H730 PolarHBondContact O-N 3.41Å; H730-N732 VanDerWaalsContact C-N 3.31Å; H730-N732 PolarHBondContact O-N 3.38Å; H730-A733 PolarHBondContact O-N 2.99Å; H730-L734 WeakPolarHBondContact O-CG 3.43Å; H730-L734 PolarHBondContact O-N 3.44Å; H730-T758 WeakPolarHBondContact NE2-CB 3.31Å; H730-T758 PolarHBondContact NE2-OG1 2.87Å
731	V	83.4	Confident	75.8	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-44.3	174.4	176.3	0	0	0	0	111.1	L410 V685 N690 S727 I728 A733 L734 R735 V752	L410-V731 HydrophobicContact CB-CG2 4.19Å; L410-V731 HydrophobicContact CD1-CG2 4.35Å; V685-V731 HydrophobicContact CG1-CG2 3.84Å; V685-V731 HydrophobicContact CG2-CG2 4.22Å; N690-V731 HydrophobicContact CB-CG1 4.49Å; S727-V731 WeakPolarHBondContact O-CG2 3.31Å; S727-V731 PolarHBondContact O-N 2.97Å; I728-V731 PolarHBondContact O-N 3.03Å; V731-A733 VanDerWaalsContact C-N 3.34Å; V731-A733 PolarHBondContact O-N 3.4Å; V731-L734 CarbonylContact O-C 3.47Å; V731-L734 PolarHBondContact O-N 3Å; V731-L734 VanDerWaalsContact O-N 3.11Å; V731-R735 PolarHBondContact O-N 3.48Å; V731-V752 HydrophobicContact CG1-CG1 4.16Å; V731-V752 HydrophobicContact CG1-CG2 3.82Å
732	N	79.6	Confident	74.4	Confident	86 Å²	86	46 Å²	46	46%	0.46	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-34.4	178.7	-78.5	-41.8	0	0	0	113.2	I728 H730 L734 R735	I728-N732 WeakPolarHBondContact CG2-ND2 3.03Å; I728-N732 WeakPolarHBondContact O-CB 3.41Å; I728-N732 PolarHBondContact O-N 3.01Å; I728-N732 PolarHBondContact O-ND2 3.12Å; I728-N732 VanDerWaalsContact O-ND2 3.09Å; H730-N732 VanDerWaalsContact C-N 3.31Å; H730-N732 PolarHBondContact O-N 3.38Å; N732-L734 PolarHBondContact O-N 3.16Å; N732-R735 VanDerWaalsContact O-CB 3.28Å; N732-R735 WeakPolarHBondContact O-CB 3.39Å; N732-R735 PolarHBondContact O-N 3.05Å
733	A	73	Confident	73	Confident	48 Å²	48	46.5 Å²	46.5	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-67.6	-22.8	175.1	0	0	0	0	0	112.7	F371 S729 H730 V731	F371-A733 HydrophobicContact CD1-CB 4.31Å; F371-A733 HydrophobicContact CE1-CB 4.44Å; S729-A733 PolarHBondContact O-N 2.88Å; S729-A733 VanDerWaalsContact O-N 3.08Å; H730-A733 PolarHBondContact O-N 2.99Å; V731-A733 VanDerWaalsContact C-N 3.34Å; V731-A733 PolarHBondContact O-N 3.4Å
734	L	77.3	Confident	71.7	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	7.1	-178.7	-61	176.1	0	0	0	113.6	A368 L410 H730 V731 N732 Q736 V752 R753 Q755	A368-L734 HydrophobicContact CB-CD2 4.2Å; L410-L734 HydrophobicContact CD2-CD1 3.56Å; H730-L734 WeakPolarHBondContact O-CG 3.43Å; H730-L734 PolarHBondContact O-N 3.44Å; V731-L734 CarbonylContact O-C 3.47Å; V731-L734 PolarHBondContact O-N 3Å; V731-L734 VanDerWaalsContact O-N 3.11Å; N732-L734 PolarHBondContact O-N 3.16Å; L734-Q736 PolarHBondContact O-N 2.85Å; L734-V752 HydrophobicContact CB-CG1 3.58Å; L734-V752 WeakPolarHBondContact O-CA 3.44Å; L734-R753 PolarHBondContact O-N 3.02Å; L734-Q755 HydrophobicContact CD1-CG 4.23Å
735	R	78.6	Confident	70.7	Confident	130 Å²	130	48.5 Å²	48.5	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.3	179.9	172	142.1	-166	-162.3	7.9	111.9	V731 N732 F749	V731-R735 PolarHBondContact O-N 3.48Å; N732-R735 VanDerWaalsContact O-CB 3.28Å; N732-R735 WeakPolarHBondContact O-CB 3.39Å; N732-R735 PolarHBondContact O-N 3.05Å; R735-F749 HydrophobicContact CB-CE2 4.24Å; R735-F749 HydrophobicContact CG-CD2 3.69Å; R735-F749 HydrophobicContact CG-CE2 3.46Å; R735-F749 VanDerWaalsContact CG-CE2 3.46Å; R735-F749 VanDerWaalsContact NE-CE2 3.28Å
736	Q	69.4	Low	69.8	Low	65 Å²	65	53.1 Å²	53.1	30%	0.304	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.9	174.9	-59.5	-170.9	-84.6	0	0	112.2	L734 F749 I750 G751 R753	L734-Q736 PolarHBondContact O-N 2.85Å; Q736-F749 WeakPolarHBondContact O-CD2 3.47Å; Q736-I750 PolarHBondContact O-N 3.38Å; Q736-G751 WeakPolarHBondContact CB-O 3.29Å; Q736-G751 PolarHBondContact N-O 3.23Å; Q736-R753 HydrophobicContact CG-CG 3.73Å; Q736-R753 VanDerWaalsContact NE2-NH2 3.19Å; Q736-R753 VanDerWaalsContact OE1-CG 3.31Å
737	L	67.5	Low	69	Low	64 Å²	64	55.6 Å²	55.6	34%	0.335	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148	172.3	-60.7	174.3	0	0	0	109.2	P747 F749	L737-P747 HydrophobicContact CB-CB 4.2Å; L737-P747 HydrophobicContact CD1-CB 4.48Å; L737-F749 HydrophobicContact CD2-CB 4.45Å; L737-F749 HydrophobicContact CD2-CD2 4.47Å
738	S	65.3	Low	68	Low	23 Å²	23	61.5 Å²	61.5	16%	0.161	32%	0.324	C	S	.	.			trans	-66.6	132.3	179.1	65.7	0	0	0	0	112.7	Q741 K748 I750	S738-Q741 PolarHBondContact O-NE2 3.3Å; S738-K748 PolarHBondContact N-O 3.4Å; S738-K748 PolarHBondContact OG-N 3.11Å; S738-K748 VanDerWaalsContact OG-N 3.11Å; S738-I750 VanDerWaalsContact CA-CD1 3.5Å
739	E	57.6	Low	67.7	Low	171 Å²	171	59.7 Å²	59.7	80%	0.799	31%	0.314	S	S	*	.	S	Bend	trans	-85	-29.2	178.9	-66.2	-168.8	177	0	0	113.2	Q741	E739-Q741 PolarHBondContact O-N 3.01Å
740	C	51.1	Low	67.6	Low	100 Å²	100	63.3 Å²	63.3	68%	0.676	33%	0.332	S	S	*	.			trans	-84	107.5	177.3	-64.7	0	0	0	0	109.1
741	Q	59.1	Low	67.6	Low	69 Å²	69	63.5 Å²	63.5	32%	0.322	33%	0.334	S	S	.	.			trans	-123.9	113.8	174.1	-70.5	171.1	18.4	0	0	107.5	S738 E739 E745 P747	S738-Q741 PolarHBondContact O-NE2 3.3Å; E739-Q741 PolarHBondContact O-N 3.01Å; Q741-E745 PolarHBondContact OE1-O 3.28Å; Q741-P747 VanDerWaalsContact NE2-CA 3.3Å; Q741-P747 VanDerWaalsContact NE2-CB 3.28Å
742	A	58.9	Low	67.6	Low	18 Å²	18	64 Å²	64	15%	0.149	34%	0.337	C	S	.	.			trans	-51.8	139.9	155.2	0	0	0	0	0	107.4	V35 K36 G744 E745	V35-A742 HydrophobicContact CG1-CB 4.26Å; K36-A742 HydrophobicContact CB-CB 3.97Å; K36-A742 HydrophobicContact CD-CB 4.11Å; A742-G744 PolarHBondContact O-N 3.37Å; A742-E745 PolarHBondContact O-N 3.4Å; A742-E745 VanDerWaalsContact O-N 3.15Å
743	P	58.6	Low	67.7	Low	12 Å²	12	63.9 Å²	63.9	8%	0.078	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	120.3	179.7	19.5	-29.5	0	0	0	110.2	V35 E39 P51	V35-P743 HydrophobicContact CB-CG 4.18Å; V35-P743 HydrophobicContact CG2-CG 4.36Å; E39-P743 WeakPolarHBondContact OE1-CB 3.36Å; P51-P743 HydrophobicContact CB-CB 4.21Å; P51-P743 VanDerWaalsContact CB-O 3.27Å; P51-P743 WeakPolarHBondContact CB-O 3.48Å; P51-P743 VanDerWaalsContact CG-C 3.43Å; P51-P743 HydrophobicContact CG-CB 4.17Å
744	G	59	Low	68.3	Low	32 Å²	32	62.2 Å²	62.2	33%	0.33	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.9	-12.1	176.3	0	0	0	0	0	115.4	P301 A742	P301-G744 WeakPolarHBondContact CG-O 3.28Å; A742-G744 PolarHBondContact O-N 3.37Å
745	E	60.8	Low	68.5	Low	43 Å²	43	62.2 Å²	62.2	20%	0.201	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-84.4	127.7	178.7	-167.5	161.8	-179.4	0	0	111.7	K36 Q741 A742 K748	K36-E745 VanDerWaalsContact NZ-CD 3.32Å; K36-E745 IonicContact NZ-OE1 3.58Å; K36-E745 PolarHBondContact NZ-OE1 2.77Å; K36-E745 IonicContact NZ-OE2 3.42Å; K36-E745 PolarHBondContact NZ-OE2 3.1Å; Q741-E745 PolarHBondContact OE1-O 3.28Å; A742-E745 PolarHBondContact O-N 3.4Å; A742-E745 VanDerWaalsContact O-N 3.15Å; E745-K748 WeakPolarHBondContact OE1-CE 3.12Å; E745-K748 IonicContact OE1-NZ 2.74Å; E745-K748 PolarHBondContact OE1-NZ 3.08Å
746	K	60	Low	68.9	Low	149 Å²	149	56.3 Å²	56.3	65%	0.648	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-64.4	144	173.6	-68.8	-180	-177.9	172.8	0	109.7	K748	K746-K748 PolarHBondContact O-N 3.21Å
747	P	63.4	Low	69.6	Low	67 Å²	67	54.8 Å²	54.8	44%	0.435	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-53.9	122.9	177.9	16.9	-29.1	0	0	0	111.4	L737 Q741	L737-P747 HydrophobicContact CB-CB 4.2Å; L737-P747 HydrophobicContact CD1-CB 4.48Å; Q741-P747 VanDerWaalsContact NE2-CA 3.3Å; Q741-P747 VanDerWaalsContact NE2-CB 3.28Å
748	K	65.6	Low	70.3	Confident	123 Å²	123	51.9 Å²	51.9	54%	0.535	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-80.9	135.6	174.2	-76.7	174.2	169	161.4	0	109.5	S738 E745 K746 I750	S738-K748 PolarHBondContact N-O 3.4Å; S738-K748 PolarHBondContact OG-N 3.11Å; S738-K748 VanDerWaalsContact OG-N 3.11Å; E745-K748 WeakPolarHBondContact OE1-CE 3.12Å; E745-K748 IonicContact OE1-NZ 2.74Å; E745-K748 PolarHBondContact OE1-NZ 3.08Å; K746-K748 PolarHBondContact O-N 3.21Å; K748-I750 PolarHBondContact O-N 3.09Å
749	F	75.5	Confident	71	Confident	28 Å²	28	50.8 Å²	50.8	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114	173.1	173.9	-112.2	0	0	0	109.7	E689 N690 K691 R735 Q736 L737 G751 V752	E689-F749 WeakPolarHBondContact O-CE1 3.44Å; N690-F749 WeakPolarHBondContact O-CZ 3.39Å; K691-F749 HydrophobicContact CB-CE1 4.23Å; K691-F749 HydrophobicContact CD-CD1 4.08Å; K691-F749 HydrophobicContact CD-CE1 4.19Å; K691-F749 HydrophobicContact CG-CD1 4.38Å; K691-F749 HydrophobicContact CG-CE1 4.05Å; K691-F749 PolarHBondContact NZ-O 3.1Å; R735-F749 HydrophobicContact CB-CE2 4.24Å; R735-F749 HydrophobicContact CG-CD2 3.69Å; R735-F749 HydrophobicContact CG-CE2 3.46Å; R735-F749 VanDerWaalsContact CG-CE2 3.46Å; R735-F749 VanDerWaalsContact NE-CE2 3.28Å; Q736-F749 WeakPolarHBondContact O-CD2 3.47Å; L737-F749 HydrophobicContact CD2-CB 4.45Å; L737-F749 HydrophobicContact CD2-CD2 4.47Å; F749-G751 VanDerWaalsContact CE2-O 3.28Å; F749-G751 WeakPolarHBondContact CE2-O 3.38Å; F749-V752 HydrophobicContact CE2-CG2 4.3Å; F749-V752 HydrophobicContact CZ-CG2 3.9Å
750	I	76	Confident	72.3	Confident	84 Å²	84	43.8 Å²	43.8	43%	0.431	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.6	-177.2	-62.9	172.2	0	0	0	110.3	K691 Q736 S738 K748	K691-I750 WeakPolarHBondContact CD-O 3.23Å; Q736-I750 PolarHBondContact O-N 3.38Å; S738-I750 VanDerWaalsContact CA-CD1 3.5Å; K748-I750 PolarHBondContact O-N 3.09Å
751	G	81.1	Confident	73.8	Confident	5 Å²	5	41.2 Å²	41.2	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-170.9	-176.8	0	0	0	0	0	112.1	Q736 F749	Q736-G751 WeakPolarHBondContact CB-O 3.29Å; Q736-G751 PolarHBondContact N-O 3.23Å; F749-G751 VanDerWaalsContact CE2-O 3.28Å; F749-G751 WeakPolarHBondContact CE2-O 3.38Å
752	V	82.1	Confident	74.7	Confident	13 Å²	13	38.1 Å²	38.1	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	178.1	-177.6	0	0	0	0	109.6	L410 N690 L692 V731 L734 F749 E754	L410-V752 HydrophobicContact CD1-CG1 4.27Å; N690-V752 HydrophobicContact CB-CG2 4.11Å; N690-V752 PolarHBondContact O-N 3.25Å; L692-V752 HydrophobicContact CD2-CB 3.97Å; V731-V752 HydrophobicContact CG1-CG1 4.16Å; V731-V752 HydrophobicContact CG1-CG2 3.82Å; L734-V752 HydrophobicContact CB-CG1 3.58Å; L734-V752 WeakPolarHBondContact O-CA 3.44Å; F749-V752 HydrophobicContact CE2-CG2 4.3Å; F749-V752 HydrophobicContact CZ-CG2 3.9Å; V752-E754 PolarHBondContact O-N 3Å
753	R	81.3	Confident	75.8	Confident	84 Å²	84	37.3 Å²	37.3	32%	0.317	19%	0.19	S	C	.	.			trans	-74.3	118.4	172.2	-68.3	-172.7	-175	160.5	0.6	110.6	L734 Q736	L734-R753 PolarHBondContact O-N 3.02Å; Q736-R753 HydrophobicContact CG-CG 3.73Å; Q736-R753 VanDerWaalsContact NE2-NH2 3.19Å; Q736-R753 VanDerWaalsContact OE1-CG 3.31Å
754	E	85.3	Confident	76.9	Confident	13 Å²	13	40.6 Å²	40.6	6%	0.061	21%	0.206	C	C	.	.			trans	-88.2	111.3	175	-64	175.9	113.6	0	0	109.7	L410 L692 K693 K694 V752	L410-E754 HydrophobicContact CD1-CG 4.2Å; L692-E754 HydrophobicContact CD2-CG 3.94Å; K693-E754 PolarHBondContact N-OE2 3.46Å; K694-E754 VanDerWaalsContact CB-OE2 3.29Å; K694-E754 WeakPolarHBondContact CB-OE2 3.14Å; K694-E754 HydrophobicContact CD-CB 3.87Å; K694-E754 WeakPolarHBondContact CG-OE2 3.41Å; K694-E754 PolarHBondContact N-OE2 2.93Å; K694-E754 PolarHBondContact NZ-O 2.73Å; V752-E754 PolarHBondContact O-N 3Å
755	Q	83.2	Confident	77.6	Confident	13 Å²	13	42.9 Å²	42.9	6%	0.061	21%	0.207	C	C	.	.			trans	-140.7	149.5	178.1	60.9	175.5	-2.1	0	0	111.1	L734 T758	L734-Q755 HydrophobicContact CD1-CG 4.23Å; Q755-T758 PolarHBondContact NE2-OG1 3.21Å
756	R	87.3	Confident	78.1	Confident	6 Å²	6	41.4 Å²	41.4	2%	0.023	20%	0.201	C	C	.	.	S	Bend	trans	-92.6	-28.2	176	-69.9	177	-172.6	-88.3	-10.6	113.3	D359 F360 L404 A406 P409 T758 G759 I760	D359-R756 HydrophobicContact CB-CB 4.41Å; D359-R756 HydrophobicContact CB-CG 3.86Å; D359-R756 IonicContact OD2-CZ 3.86Å; D359-R756 IonicContact OD2-NE 3.78Å; D359-R756 PolarHBondContact OD2-NE 3.21Å; D359-R756 IonicContact OD2-NH2 3.8Å; D359-R756 PolarHBondContact OD2-NH2 3.28Å; F360-R756 HydrophobicContact CZ-CB 4.28Å; L404-R756 PolarHBondContact O-NH1 3.09Å; A406-R756 PolarHBondContact O-NH1 3.45Å; A406-R756 PolarHBondContact O-NH2 2.9Å; A406-R756 VanDerWaalsContact O-NH2 3.08Å; P409-R756 HydrophobicContact CB-CG 3.7Å; P409-R756 HydrophobicContact CG-CG 3.9Å; R756-T758 VanDerWaalsContact C-N 3.32Å; R756-T758 PolarHBondContact O-N 3.37Å; R756-G759 PolarHBondContact O-N 3.35Å; R756-I760 HydrophobicContact CB-CD1 4.44Å; R756-I760 WeakPolarHBondContact O-CG1 3.48Å; R756-I760 PolarHBondContact O-N 3.24Å
757	V	84.1	Confident	78.7	Confident	34 Å²	34	36.2 Å²	36.2	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-36.2	-171	179	0	0	0	0	112.4	F360 I760 L761	F360-V757 HydrophobicContact CD1-CG2 3.7Å; F360-V757 HydrophobicContact CE1-CG2 4.19Å; V757-I760 PolarHBondContact O-N 2.92Å; V757-L761 HydrophobicContact CG1-CD1 3.71Å; V757-L761 HydrophobicContact CG1-CG 3.98Å; V757-L761 WeakPolarHBondContact O-CB 3.4Å; V757-L761 VanDerWaalsContact O-CG 3.31Å; V757-L761 WeakPolarHBondContact O-CG 3.3Å; V757-L761 PolarHBondContact O-N 3.46Å
758	T	81.8	Confident	79	Confident	3 Å²	3	38 Å²	38	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-44.5	177.9	38.3	0	0	0	0	113.1	A368 P369 H730 Q755 R756 I760 L761 V762	A368-T758 HydrophobicContact CB-CG2 3.62Å; P369-T758 HydrophobicContact CG-CG2 4.47Å; H730-T758 WeakPolarHBondContact NE2-CB 3.31Å; H730-T758 PolarHBondContact NE2-OG1 2.87Å; Q755-T758 PolarHBondContact NE2-OG1 3.21Å; R756-T758 VanDerWaalsContact C-N 3.32Å; R756-T758 PolarHBondContact O-N 3.37Å; T758-I760 VanDerWaalsContact C-N 3.32Å; T758-I760 PolarHBondContact O-N 2.97Å; T758-L761 PolarHBondContact O-N 3.38Å; T758-V762 VanDerWaalsContact O-CB 3.31Å; T758-V762 WeakPolarHBondContact O-CB 3.38Å; T758-V762 WeakPolarHBondContact O-CG2 3.43Å; T758-V762 PolarHBondContact O-N 3.27Å
759	G	80.3	Confident	78.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-48.8	176.1	0	0	0	0	0	111.1	R756 V762 F763	R756-G759 PolarHBondContact O-N 3.35Å; G759-V762 PolarHBondContact O-N 3.47Å; G759-F763 WeakPolarHBondContact O-CD2 3.48Å; G759-F763 PolarHBondContact O-N 3.44Å
760	I	84.8	Confident	77.9	Confident	24 Å²	24	36.2 Å²	36.2	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-51.1	179.8	-61.3	166.4	0	0	0	111.5	F360 L404 R756 V757 T758 V762 F763 L764	F360-I760 HydrophobicContact CE1-CD1 4.12Å; F360-I760 HydrophobicContact CZ-CD1 4.38Å; L404-I760 HydrophobicContact CD2-CD1 3.56Å; L404-I760 HydrophobicContact CD2-CG1 4.36Å; L404-I760 HydrophobicContact CG-CD1 4.13Å; L404-I760 HydrophobicContact CG-CG1 4.42Å; R756-I760 HydrophobicContact CB-CD1 4.44Å; R756-I760 WeakPolarHBondContact O-CG1 3.48Å; R756-I760 PolarHBondContact O-N 3.24Å; V757-I760 PolarHBondContact O-N 2.92Å; T758-I760 VanDerWaalsContact C-N 3.32Å; T758-I760 PolarHBondContact O-N 2.97Å; I760-V762 PolarHBondContact O-N 3.11Å; I760-F763 PolarHBondContact O-N 3.34Å; I760-L764 HydrophobicContact CG2-CD1 3.7Å; I760-L764 HydrophobicContact CG2-CG 4.13Å; I760-L764 WeakPolarHBondContact O-CB 3.26Å; I760-L764 VanDerWaalsContact O-CG 3.31Å; I760-L764 WeakPolarHBondContact O-CG 3.19Å; I760-L764 PolarHBondContact O-N 3.15Å
761	L	81.9	Confident	76.8	Confident	45 Å²	45	33.8 Å²	33.8	24%	0.236	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-37.9	-179	-76.2	177.5	0	0	0	111.9	P369 V757 T758 L764 F765	P369-L761 HydrophobicContact CB-CB 4.17Å; P369-L761 HydrophobicContact CB-CD1 4.15Å; P369-L761 HydrophobicContact CG-CB 4.36Å; P369-L761 HydrophobicContact CG-CD1 3.52Å; V757-L761 HydrophobicContact CG1-CD1 3.71Å; V757-L761 HydrophobicContact CG1-CG 3.98Å; V757-L761 WeakPolarHBondContact O-CB 3.4Å; V757-L761 VanDerWaalsContact O-CG 3.31Å; V757-L761 WeakPolarHBondContact O-CG 3.3Å; V757-L761 PolarHBondContact O-N 3.46Å; T758-L761 PolarHBondContact O-N 3.38Å; L761-L764 PolarHBondContact O-N 2.97Å; L761-F765 HydrophobicContact CB-CE2 4.32Å; L761-F765 WeakPolarHBondContact O-CB 3.5Å; L761-F765 WeakPolarHBondContact O-CD2 3.44Å; L761-F765 WeakPolarHBondContact O-CG 3.3Å; L761-F765 PolarHBondContact O-N 2.99Å
762	V	77.8	Confident	75.3	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-46.6	179.9	166.4	0	0	0	0	111.8	F372 L376 M412 T758 G759 I760 F765 I766	F372-V762 HydrophobicContact CB-CB 4.13Å; F372-V762 HydrophobicContact CB-CG1 3.65Å; F372-V762 HydrophobicContact CB-CG2 3.28Å; F372-V762 HydrophobicContact CD1-CG1 4.42Å; F372-V762 HydrophobicContact CD2-CG2 4.05Å; F372-V762 HydrophobicContact CG-CG1 4.2Å; F372-V762 HydrophobicContact CG-CG2 3.7Å; L376-V762 HydrophobicContact CD1-CB 4.48Å; L376-V762 HydrophobicContact CD1-CG1 2.99Å; L376-V762 HydrophobicContact CG-CG1 4.43Å; M412-V762 HydrophobicContact CE-CB 3.88Å; M412-V762 HydrophobicContact CE-CG1 3.66Å; M412-V762 HydrophobicContact CE-CG2 4.09Å; T758-V762 VanDerWaalsContact O-CB 3.31Å; T758-V762 WeakPolarHBondContact O-CB 3.38Å; T758-V762 WeakPolarHBondContact O-CG2 3.43Å; T758-V762 PolarHBondContact O-N 3.27Å; G759-V762 PolarHBondContact O-N 3.47Å; I760-V762 PolarHBondContact O-N 3.11Å; V762-F765 PolarHBondContact O-N 2.84Å; V762-I766 WeakPolarHBondContact O-CG1 3.39Å; V762-I766 PolarHBondContact O-N 3.34Å; V762-I766 VanDerWaalsContact O-N 3.1Å
763	F	82.3	Confident	73.5	Confident	1 Å²	1	48 Å²	48	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-72	-30	175.9	-67	-67.6	0	0	0	113	L376 G395 G399 I400 M412 I413 G759 I760 I766 A767	L376-F763 HydrophobicContact CD2-CE1 4.35Å; G395-F763 WeakPolarHBondContact O-CD1 3.32Å; G399-F763 VanDerWaalsContact CA-CE2 3.43Å; G399-F763 VanDerWaalsContact O-CD2 3.32Å; G399-F763 WeakPolarHBondContact O-CD2 3.37Å; I400-F763 HydrophobicContact CG1-CB 3.79Å; M412-F763 HydrophobicContact SD-CE2 3.95Å; M412-F763 HydrophobicContact SD-CZ 4.34Å; I413-F763 WeakPolarHBondContact O-CZ 3.4Å; G759-F763 WeakPolarHBondContact O-CD2 3.48Å; G759-F763 PolarHBondContact O-N 3.44Å; I760-F763 PolarHBondContact O-N 3.34Å; F763-I766 HydrophobicContact CD1-CD1 3.87Å; F763-I766 HydrophobicContact CE1-CD1 4.33Å; F763-I766 PolarHBondContact O-N 3.47Å; F763-A767 PolarHBondContact O-N 3.33Å
764	L	81.3	Confident	71.8	Confident	81 Å²	81	48.6 Å²	48.6	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-40.6	170.1	-75.9	175	0	0	0	112	I400 I760 L761 A767 Y768	I400-L764 HydrophobicContact CD1-CD2 3.75Å; I400-L764 HydrophobicContact CD1-CG 4.24Å; I760-L764 HydrophobicContact CG2-CD1 3.7Å; I760-L764 HydrophobicContact CG2-CG 4.13Å; I760-L764 WeakPolarHBondContact O-CB 3.26Å; I760-L764 VanDerWaalsContact O-CG 3.31Å; I760-L764 WeakPolarHBondContact O-CG 3.19Å; I760-L764 PolarHBondContact O-N 3.15Å; L761-L764 PolarHBondContact O-N 2.97Å; L764-A767 WeakPolarHBondContact O-CB 3.4Å; L764-A767 PolarHBondContact O-N 2.92Å; L764-Y768 WeakPolarHBondContact O-CB 3.19Å; L764-Y768 PolarHBondContact O-N 3.11Å
765	F	74.4	Confident	69.9	Low	81 Å²	81	53 Å²	53	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-37.1	175.1	-75.1	-53.4	0	0	0	112.2	P369 F373 L761 V762 A767 Y768 T769	P369-F765 HydrophobicContact CB-CD2 4.49Å; P369-F765 HydrophobicContact CB-CE2 3.88Å; F373-F765 HydrophobicContact CD2-CB 3.89Å; F373-F765 HydrophobicContact CE2-CB 4.2Å; L761-F765 HydrophobicContact CB-CE2 4.32Å; L761-F765 WeakPolarHBondContact O-CB 3.5Å; L761-F765 WeakPolarHBondContact O-CD2 3.44Å; L761-F765 WeakPolarHBondContact O-CG 3.3Å; L761-F765 PolarHBondContact O-N 2.99Å; V762-F765 PolarHBondContact O-N 2.84Å; F765-A767 VanDerWaalsContact C-N 3.33Å; F765-Y768 PolarHBondContact O-N 3.15Å; F765-T769 PolarHBondContact O-N 3.05Å; F765-T769 PolarHBondContact O-OG1 3.49Å
766	I	70.8	Confident	67.9	Low	12 Å²	12	61.5 Å²	61.5	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-46.4	171.5	-65.9	168.4	0	0	0	110.3	L376 L392 V762 F763 Y768 T769	L376-I766 HydrophobicContact CB-CD1 3.71Å; L376-I766 HydrophobicContact CB-CG1 4.3Å; L376-I766 HydrophobicContact CD1-CD1 4.01Å; L376-I766 HydrophobicContact CD2-CD1 3.79Å; L376-I766 HydrophobicContact CG-CD1 4.01Å; L392-I766 HydrophobicContact CD2-CG2 3.94Å; V762-I766 WeakPolarHBondContact O-CG1 3.39Å; V762-I766 PolarHBondContact O-N 3.34Å; V762-I766 VanDerWaalsContact O-N 3.1Å; F763-I766 HydrophobicContact CD1-CD1 3.87Å; F763-I766 HydrophobicContact CE1-CD1 4.33Å; F763-I766 PolarHBondContact O-N 3.47Å; I766-Y768 PolarHBondContact O-N 3.06Å; I766-T769 WeakPolarHBondContact O-CB 3.39Å; I766-T769 PolarHBondContact O-N 2.89Å; I766-T769 PolarHBondContact O-OG1 3.38Å
767	A	72.7	Confident	65.8	Low	39 Å²	39	68.9 Å²	68.9	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-46.7	176.6	0	0	0	0	0	111.5	A396 F763 L764 F765 T769 N770	A396-A767 HydrophobicContact CB-CB 3.79Å; F763-A767 PolarHBondContact O-N 3.33Å; L764-A767 WeakPolarHBondContact O-CB 3.4Å; L764-A767 PolarHBondContact O-N 2.92Å; F765-A767 VanDerWaalsContact C-N 3.33Å; A767-T769 VanDerWaalsContact C-N 3.25Å; A767-T769 PolarHBondContact O-N 2.63Å; A767-N770 PolarHBondContact O-N 2.93Å; A767-N770 PolarHBondContact O-ND2 3.33Å
768	Y	70	Confident	63.8	Low	106 Å²	106	71.5 Å²	71.5	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-17.4	-178.6	-168.7	-97.3	0	0	0	113.8	L764 F765 I766 N770 A771 P773 L774	L764-Y768 WeakPolarHBondContact O-CB 3.19Å; L764-Y768 PolarHBondContact O-N 3.11Å; F765-Y768 PolarHBondContact O-N 3.15Å; I766-Y768 PolarHBondContact O-N 3.06Å; Y768-N770 PolarHBondContact O-N 3.17Å; Y768-N770 VanDerWaalsContact O-N 3.11Å; Y768-A771 HydrophobicContact CD1-CB 4.39Å; Y768-A771 HydrophobicContact CD2-CB 3.58Å; Y768-A771 HydrophobicContact CE1-CB 4.38Å; Y768-A771 HydrophobicContact CE2-CB 3.58Å; Y768-A771 HydrophobicContact CG-CB 4.02Å; Y768-A771 WeakPolarHBondContact O-CA 3.44Å; Y768-A771 VanDerWaalsContact O-CB 3.23Å; Y768-A771 WeakPolarHBondContact O-CB 3.11Å; Y768-A771 PolarHBondContact O-N 3.07Å; Y768-P773 HydrophobicContact CE1-CG 4.36Å; Y768-P773 WeakPolarHBondContact OH-CG 3.32Å; Y768-L774 HydrophobicContact CD1-CD1 4.07Å; Y768-L774 HydrophobicContact CE1-CD1 3.59Å
769	T	62.9	Low	61.8	Low	51 Å²	51	75.7 Å²	75.7	31%	0.313	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.5	174	-53.1	0	0	0	0	111.7	F373 F765 I766 A767 A771	F373-T769 WeakPolarHBondContact CE2-OG1 3.21Å; F373-T769 HydrophobicContact CZ-CG2 4Å; F373-T769 WeakPolarHBondContact CZ-OG1 3.23Å; F765-T769 PolarHBondContact O-N 3.05Å; F765-T769 PolarHBondContact O-OG1 3.49Å; I766-T769 WeakPolarHBondContact O-CB 3.39Å; I766-T769 PolarHBondContact O-N 2.89Å; I766-T769 PolarHBondContact O-OG1 3.38Å; A767-T769 VanDerWaalsContact C-N 3.25Å; A767-T769 PolarHBondContact O-N 2.63Å; T769-A771 VanDerWaalsContact C-N 3.34Å
770	N	55.2	Low	59.4	Low	62 Å²	62	83.6 Å²	83.6	33%	0.332	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.5	173.9	-60	-71.1	0	0	0	113.3	A767 Y768	A767-N770 PolarHBondContact O-N 2.93Å; A767-N770 PolarHBondContact O-ND2 3.33Å; Y768-N770 PolarHBondContact O-N 3.17Å; Y768-N770 VanDerWaalsContact O-N 3.11Å
771	A	52.6	Low	56.9	Low	33 Å²	33	86.1 Å²	86.1	27%	0.273	44%	0.438	S	S	.	.	S	Bend	trans	-78.8	129.5	178	0	0	0	0	0	110.3	Y768 T769 P773	Y768-A771 HydrophobicContact CD1-CB 4.39Å; Y768-A771 HydrophobicContact CD2-CB 3.58Å; Y768-A771 HydrophobicContact CE1-CB 4.38Å; Y768-A771 HydrophobicContact CE2-CB 3.58Å; Y768-A771 HydrophobicContact CG-CB 4.02Å; Y768-A771 WeakPolarHBondContact O-CA 3.44Å; Y768-A771 VanDerWaalsContact O-CB 3.23Å; Y768-A771 WeakPolarHBondContact O-CB 3.11Å; Y768-A771 PolarHBondContact O-N 3.07Å; T769-A771 VanDerWaalsContact C-N 3.34Å; A771-P773 WeakPolarHBondContact O-CD 3.47Å
772	R	49.2	Very low	54.5	Low	229 Å²	229	89.8 Å²	89.8	86%	0.864	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-46.6	-29.7	-171.9	-66.6	-177.3	175.6	172.5	-1.7	118.4
773	P	43.9	Very low	52.4	Low	87 Å²	87	94.8 Å²	94.8	57%	0.565	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-81.2	-19.8	-169.3	29.3	-36.4	0	0	0	116.4	Y768 A771	Y768-P773 HydrophobicContact CE1-CG 4.36Å; Y768-P773 WeakPolarHBondContact OH-CG 3.32Å; A771-P773 WeakPolarHBondContact O-CD 3.47Å
774	L	45	Very low	50	Low	97 Å²	97	100.7 Å²	100.7	51%	0.508	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-90.4	-6.5	-179.5	-117.6	125.1	0	0	0	114.1	Y768 R776 L777	Y768-L774 HydrophobicContact CD1-CD1 4.07Å; Y768-L774 HydrophobicContact CE1-CD1 3.59Å; L774-R776 PolarHBondContact O-N 2.99Å; L774-R776 VanDerWaalsContact O-N 3.1Å; L774-L777 PolarHBondContact O-N 3.4Å
775	R	47.2	Very low	47.5	Very low	106 Å²	106	100.4 Å²	100.4	40%	0.4	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-61.2	-17.7	177.4	-134.1	178	-174.1	151.9	15.3	113.4	V633 P634	V633-R775 PolarHBondContact O-NH2 3.38Å; P634-R775 PolarHBondContact O-NH2 3.44Å
776	R	40.1	Very low	45.3	Very low	191 Å²	191	101.4 Å²	101.4	72%	0.721	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-74.9	-21.4	178.3	-109.7	178	-172.1	-178.5	6.7	114.8	L774 Y780	L774-R776 PolarHBondContact O-N 2.99Å; L774-R776 VanDerWaalsContact O-N 3.1Å; R776-Y780 HydrophobicContact CB-CE2 4.45Å; R776-Y780 HydrophobicContact CG-CE2 3.7Å; R776-Y780 WeakPolarHBondContact CG-OH 3.43Å; R776-Y780 PolarHBondContact NE-OH 3.23Å; R776-Y780 VanDerWaalsContact NE-OH 3.16Å
777	L	43.5	Very low	43.3	Very low	160 Å²	160	109.9 Å²	109.9	84%	0.838	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-18	178.9	-127.3	82.9	0	0	0	112.9	L774 I779	L774-L777 PolarHBondContact O-N 3.4Å; L777-I779 PolarHBondContact O-N 2.93Å
778	S	41.3	Very low	41.8	Very low	89 Å²	89	111.9 Å²	111.9	62%	0.622	60%	0.595	S	S	*	*	S	Bend	trans	-93.6	79.4	169.9	-175.3	0	0	0	0	109
779	I	39.8	Very low	40.1	Very low	91 Å²	91	111 Å²	111	47%	0.467	60%	0.602	S	S	.	*			trans	31.1	103.6	156.2	-58.3	154.9	0	0	0	115.1	V618 I622 L777	V618-I779 HydrophobicContact CG1-CD1 3.28Å; I622-I779 HydrophobicContact CD1-CD1 3.7Å; I622-I779 HydrophobicContact CD1-CG1 3.89Å; I622-I779 HydrophobicContact CD1-CG2 4.39Å; I622-I779 HydrophobicContact CG1-CD1 4.49Å; L777-I779 PolarHBondContact O-N 2.93Å
780	Y	30.6	Very low	38.8	Very low	166 Å²	166	110.2 Å²	110.2	65%	0.651	60%	0.599	S	S	*	*			trans	-59.8	135.4	166	-77.3	-90.7	0	0	0	111.9	R776	R776-Y780 HydrophobicContact CB-CE2 4.45Å; R776-Y780 HydrophobicContact CG-CE2 3.7Å; R776-Y780 WeakPolarHBondContact CG-OH 3.43Å; R776-Y780 PolarHBondContact NE-OH 3.23Å; R776-Y780 VanDerWaalsContact NE-OH 3.16Å
781	G	32	Very low	38.2	Very low	78 Å²	78	109.9 Å²	109.9	80%	0.804	60%	0.6	S	S	*	*			trans	170.5	74.8	169.4	0	0	0	0	0	113.6
782	L	31.4	Very low	37.6	Very low	121 Å²	121	115.8 Å²	115.8	63%	0.634	62%	0.616	S	S	*	*			trans	-74.2	164	159.5	-113.4	88.7	0	0	0	109.7	E635 T784	E635-L782 VanDerWaalsContact OE1-CD1 3.29Å; E635-L782 WeakPolarHBondContact OE1-CD1 3.04Å; L782-T784 HydrophobicContact CD2-CG2 4.37Å
783	P	35.1	Very low	37.2	Very low	109 Å²	109	112.8 Å²	112.8	71%	0.708	61%	0.609	S	S	*	*			cis	-134	150.2	26.6	29.7	-6.3	0	0	0	117.5
784	T	31	Very low	37.1	Very low	126 Å²	126	112.5 Å²	112.5	77%	0.773	60%	0.602	S	S	*	*			trans	16.5	131.9	140.5	57.8	0	0	0	0	120.9	L782	L782-T784 HydrophobicContact CD2-CG2 4.37Å
785	G	28.3	Very low	37.1	Very low	75 Å²	75	110.2 Å²	110.2	77%	0.773	59%	0.589	S	S	*	*			trans	113.5	70.7	148	0	0	0	0	0	115.3
786	L	29.3	Very low	36.9	Very low	102 Å²	102	115 Å²	115	53%	0.534	61%	0.607	S	S	.	*			trans	-139.5	104.1	165.6	-136.7	92.1	0	0	0	111.3	R499 I788	R499-L786 VanDerWaalsContact CZ-CD2 3.48Å; R499-L786 VanDerWaalsContact NH2-CG 3.31Å; L786-I788 HydrophobicContact CD2-CG1 4.49Å; L786-I788 PolarHBondContact O-N 3.37Å; L786-I788 VanDerWaalsContact O-N 3.12Å
787	H	28.1	Very low	36.9	Very low	190 Å²	190	109.3 Å²	109.3	88%	0.88	60%	0.595	S	S	*	*			trans	-59.1	107.4	165	-113.6	-100	0	0	0	108.4
788	I	41.7	Very low	37.2	Very low	81 Å²	81	106.8 Å²	106.8	42%	0.415	59%	0.589	S	S	.	*			trans	-97.9	117.8	172.7	-58.2	167.7	0	0	0	107.3	L786 S790	L786-I788 HydrophobicContact CD2-CG1 4.49Å; L786-I788 PolarHBondContact O-N 3.37Å; L786-I788 VanDerWaalsContact O-N 3.12Å; I788-S790 PolarHBondContact O-N 2.86Å; I788-S790 VanDerWaalsContact O-N 3.1Å
789	P	34.6	Very low	37.4	Very low	86 Å²	86	108 Å²	108	56%	0.558	59%	0.588	S	S	*	*			trans	-68.2	113.8	171.3	28.1	-29.2	0	0	0	108.2
790	S	34.7	Very low	38	Very low	36 Å²	36	105.7 Å²	105.7	25%	0.252	58%	0.577	S	S	.	*			trans	30.4	132.9	140.3	59.8	0	0	0	0	120.9	I788 Y792	I788-S790 PolarHBondContact O-N 2.86Å; I788-S790 VanDerWaalsContact O-N 3.1Å; S790-Y792 VanDerWaalsContact CB-CE1 3.45Å; S790-Y792 WeakPolarHBondContact CB-OH 3.35Å; S790-Y792 PolarHBondContact O-N 3.38Å; S790-Y792 WeakPolarHBondContact OG-CD2 3.31Å; S790-Y792 WeakPolarHBondContact OG-CE2 3.5Å
791	P	43.7	Very low	39	Very low	55 Å²	55	102.1 Å²	102.1	36%	0.357	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	46.6	176.6	36.1	-35.1	0	0	0	113	L385 K793	L385-P791 HydrophobicContact CD1-CG 3.25Å; L385-P791 HydrophobicContact CD2-CG 4.47Å; L385-P791 HydrophobicContact CG-CG 3.97Å; P791-K793 VanDerWaalsContact C-N 3.27Å; P791-K793 PolarHBondContact O-N 3.26Å
792	Y	39.7	Very low	40.1	Very low	157 Å²	157	104 Å²	104	62%	0.616	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.5	176.6	-52	-41.6	0	0	0	111.9	S790	S790-Y792 VanDerWaalsContact CB-CE1 3.45Å; S790-Y792 WeakPolarHBondContact CB-OH 3.35Å; S790-Y792 PolarHBondContact O-N 3.38Å; S790-Y792 WeakPolarHBondContact OG-CD2 3.31Å; S790-Y792 WeakPolarHBondContact OG-CE2 3.5Å
793	K	39.4	Very low	41.1	Very low	165 Å²	165	102 Å²	102	72%	0.717	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-36.5	-177.8	-77.3	-176.4	177.6	179	0	114.5	P791 F795 R796	P791-K793 VanDerWaalsContact C-N 3.27Å; P791-K793 PolarHBondContact O-N 3.26Å; K793-F795 PolarHBondContact O-N 2.87Å; K793-F795 VanDerWaalsContact O-N 3.16Å; K793-R796 WeakPolarHBondContact O-CB 3.32Å; K793-R796 PolarHBondContact O-N 3.03Å; K793-R796 VanDerWaalsContact O-N 3.07Å
794	L	41.7	Very low	42	Very low	81 Å²	81	97.5 Å²	97.5	42%	0.424	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	-174.2	-151.6	79.8	0	0	0	114.1	A493	A493-L794 HydrophobicContact CB-CD1 3.71Å
795	F	46.7	Very low	43	Very low	50 Å²	50	98 Å²	98	22%	0.219	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	9.5	176.5	-86.3	-93.6	0	0	0	113.8	I421 K424 K793 V800	I421-F795 HydrophobicContact CG1-CZ 4.49Å; K424-F795 HydrophobicContact CD-CD2 4.48Å; K424-F795 HydrophobicContact CD-CE2 4.3Å; K793-F795 PolarHBondContact O-N 2.87Å; K793-F795 VanDerWaalsContact O-N 3.16Å; F795-V800 HydrophobicContact CE1-CG1 4.31Å
796	R	41.6	Very low	44.4	Very low	207 Å²	207	101.3 Å²	101.3	78%	0.781	48%	0.484	S	S	*	.			trans	-75.5	-15.7	172.2	-140.4	172.6	-155.7	-175.9	5.5	112.1	K793 P798	K793-R796 WeakPolarHBondContact O-CB 3.32Å; K793-R796 PolarHBondContact O-N 3.03Å; K793-R796 VanDerWaalsContact O-N 3.07Å; R796-P798 WeakPolarHBondContact O-CD 3.3Å
797	C	41	Very low	45.6	Very low	70 Å²	70	97.2 Å²	97.2	47%	0.473	46%	0.464	S	S	.	.			trans	-65.1	109.9	167.3	-78.9	0	0	0	0	110.1	L799 V800	C797-L799 PolarHBondContact O-N 3.39Å; C797-L799 VanDerWaalsContact O-N 3.14Å; C797-V800 HydrophobicContact CB-CG2 4.13Å; C797-V800 PolarHBondContact O-N 2.9Å
798	P	50.3	Low	46.9	Very low	108 Å²	108	90.4 Å²	90.4	70%	0.701	43%	0.43	S	S	*	.	H	α-helix	trans	-57.1	-33.9	178.8	-19.7	31.6	0	0	0	111	R796 V800 R801 Y802	R796-P798 WeakPolarHBondContact O-CD 3.3Å; P798-V800 PolarHBondContact O-N 3.03Å; P798-R801 PolarHBondContact O-N 2.67Å; P798-Y802 WeakPolarHBondContact O-CB 3.11Å; P798-Y802 PolarHBondContact O-N 2.92Å
799	L	45.2	Very low	47.7	Very low	115 Å²	115	93.8 Å²	93.8	60%	0.602	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-43.8	-178	-154	82	0	0	0	112.8	C797 Y802 I803	C797-L799 PolarHBondContact O-N 3.39Å; C797-L799 VanDerWaalsContact O-N 3.14Å; L799-Y802 PolarHBondContact O-N 3.08Å; L799-I803 HydrophobicContact CD2-CD1 4.07Å; L799-I803 HydrophobicContact CG-CD1 3.81Å; L799-I803 VanDerWaalsContact O-CB 3.28Å; L799-I803 WeakPolarHBondContact O-CB 3.31Å; L799-I803 WeakPolarHBondContact O-CD1 3.47Å; L799-I803 WeakPolarHBondContact O-CG1 3.47Å; L799-I803 PolarHBondContact O-N 2.74Å
800	V	51.9	Low	48.9	Very low	41 Å²	41	93.8 Å²	93.8	25%	0.248	44%	0.435	C	S	.	.	H	α-helix	trans	-72.9	-40.4	-177.9	179.7	0	0	0	0	110.8	F485 F795 C797 P798 Y802 A804	F485-V800 HydrophobicContact CE1-CG2 3.95Å; F485-V800 HydrophobicContact CZ-CG2 4.33Å; F795-V800 HydrophobicContact CE1-CG1 4.31Å; C797-V800 HydrophobicContact CB-CG2 4.13Å; C797-V800 PolarHBondContact O-N 2.9Å; P798-V800 PolarHBondContact O-N 3.03Å; V800-Y802 VanDerWaalsContact C-N 3.3Å; V800-Y802 PolarHBondContact O-N 2.78Å; V800-A804 VanDerWaalsContact O-CB 3.29Å; V800-A804 WeakPolarHBondContact O-CB 3.33Å; V800-A804 PolarHBondContact O-N 3.32Å
801	R	51.8	Low	50.1	Low	92 Å²	92	93 Å²	93	35%	0.347	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-35.2	175.6	-155.9	173.4	-168.3	147.4	9.2	111.4	D428 P798 R805	D428-R801 IonicContact OD2-CZ 3.33Å; D428-R801 IonicContact OD2-NH2 3.68Å; D428-R801 PolarHBondContact OD2-NH2 3.42Å; P798-R801 PolarHBondContact O-N 2.67Å; R801-R805 WeakPolarHBondContact O-CB 3.48Å; R801-R805 PolarHBondContact O-N 2.94Å
802	Y	54.4	Low	51	Low	117 Å²	117	94.4 Å²	94.4	46%	0.459	44%	0.435	S	S	.	.	H	α-helix	trans	-71.4	-48.6	176.2	-178	-99.7	0	0	0	112.3	P798 L799 V800 R805 R806	P798-Y802 WeakPolarHBondContact O-CB 3.11Å; P798-Y802 PolarHBondContact O-N 2.92Å; L799-Y802 PolarHBondContact O-N 3.08Å; V800-Y802 VanDerWaalsContact C-N 3.3Å; V800-Y802 PolarHBondContact O-N 2.78Å; Y802-R805 PolarHBondContact O-N 3.27Å; Y802-R806 HydrophobicContact CD1-CG 4.47Å; Y802-R806 HydrophobicContact CE1-CG 4.38Å; Y802-R806 WeakPolarHBondContact O-CB 3.44Å; Y802-R806 PolarHBondContact O-N 3.23Å; Y802-R806 PolarHBondContact OH-NE 3.1Å; Y802-R806 PolarHBondContact OH-NH1 2.83Å; Y802-R806 PolarHBondContact OH-NH2 3.27Å
803	I	54.1	Low	52	Low	79 Å²	79	93.3 Å²	93.3	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-48.2	177	-69.8	165.1	0	0	0	109.6	L799 R805 R806 V807	L799-I803 HydrophobicContact CD2-CD1 4.07Å; L799-I803 HydrophobicContact CG-CD1 3.81Å; L799-I803 VanDerWaalsContact O-CB 3.28Å; L799-I803 WeakPolarHBondContact O-CB 3.31Å; L799-I803 WeakPolarHBondContact O-CD1 3.47Å; L799-I803 WeakPolarHBondContact O-CG1 3.47Å; L799-I803 PolarHBondContact O-N 2.74Å; I803-R805 VanDerWaalsContact C-N 3.27Å; I803-R805 PolarHBondContact O-N 2.99Å; I803-R806 PolarHBondContact O-N 3.41Å; I803-R806 VanDerWaalsContact O-N 3.09Å; I803-V807 HydrophobicContact CG2-CG2 3.62Å; I803-V807 VanDerWaalsContact O-CB 3.28Å; I803-V807 WeakPolarHBondContact O-CB 3.29Å; I803-V807 WeakPolarHBondContact O-CG2 3.36Å; I803-V807 PolarHBondContact O-N 3.32Å
804	A	52.2	Low	53	Low	15 Å²	15	87.5 Å²	87.5	12%	0.124	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-26	179.9	0	0	0	0	0	114.5	I421 V800 R808	I421-A804 HydrophobicContact CD1-CB 3.67Å; I421-A804 HydrophobicContact CG2-CB 4.16Å; V800-A804 VanDerWaalsContact O-CB 3.29Å; V800-A804 WeakPolarHBondContact O-CB 3.33Å; V800-A804 PolarHBondContact O-N 3.32Å; A804-R808 PolarHBondContact O-NE 2.95Å; A804-R808 PolarHBondContact O-NH2 3.09Å
805	R	53.6	Low	54	Low	137 Å²	137	86 Å²	86	52%	0.517	40%	0.404	S	S	.	.	H	α-helix	trans	-76.8	-41.5	169.6	-89.4	-178.8	165.2	150.4	-4.5	111.7	R801 Y802 I803	R801-R805 WeakPolarHBondContact O-CB 3.48Å; R801-R805 PolarHBondContact O-N 2.94Å; Y802-R805 PolarHBondContact O-N 3.27Å; I803-R805 VanDerWaalsContact C-N 3.27Å; I803-R805 PolarHBondContact O-N 2.99Å
806	R	57.2	Low	54.8	Low	143 Å²	143	85.8 Å²	85.8	54%	0.54	41%	0.412	S	S	.	.	H	α-helix	trans	-77.9	-35.3	-176.6	-80.9	-159.5	169.5	-170.9	-2.2	114.7	Y802 I803 R808 F809 Q810	Y802-R806 HydrophobicContact CD1-CG 4.47Å; Y802-R806 HydrophobicContact CE1-CG 4.38Å; Y802-R806 WeakPolarHBondContact O-CB 3.44Å; Y802-R806 PolarHBondContact O-N 3.23Å; Y802-R806 PolarHBondContact OH-NE 3.1Å; Y802-R806 PolarHBondContact OH-NH1 2.83Å; Y802-R806 PolarHBondContact OH-NH2 3.27Å; I803-R806 PolarHBondContact O-N 3.41Å; I803-R806 VanDerWaalsContact O-N 3.09Å; R806-R808 PolarHBondContact O-N 3.06Å; R806-F809 PolarHBondContact O-N 2.83Å; R806-Q810 WeakPolarHBondContact O-CB 3.42Å; R806-Q810 PolarHBondContact O-N 3.25Å
807	V	54.8	Low	55.8	Low	17 Å²	17	78.2 Å²	78.2	10%	0.103	39%	0.389	C	S	.	.	H	α-helix	trans	-53.2	-29.9	-178.7	158.7	0	0	0	0	112.2	L478 I482 I803 Q810	L478-V807 HydrophobicContact CD2-CG1 3.79Å; L478-V807 HydrophobicContact CD2-CG2 4.5Å; I482-V807 HydrophobicContact CD1-CG1 4.2Å; I803-V807 HydrophobicContact CG2-CG2 3.62Å; I803-V807 VanDerWaalsContact O-CB 3.28Å; I803-V807 WeakPolarHBondContact O-CB 3.29Å; I803-V807 WeakPolarHBondContact O-CG2 3.36Å; I803-V807 PolarHBondContact O-N 3.32Å; V807-Q810 WeakPolarHBondContact O-CB 3.44Å; V807-Q810 PolarHBondContact O-N 3.28Å
808	R	54.3	Low	56.9	Low	47 Å²	47	76.4 Å²	76.4	18%	0.177	37%	0.372	C	S	.	.	H	α-helix	trans	-81.1	-36.5	-179.1	-68.2	178.7	-93	172.5	-5.1	113.4	L673 A804 R806 Q810	L673-R808 HydrophobicContact CD2-CB 4.06Å; L673-R808 HydrophobicContact CD2-CG 3.66Å; A804-R808 PolarHBondContact O-NE 2.95Å; A804-R808 PolarHBondContact O-NH2 3.09Å; R806-R808 PolarHBondContact O-N 3.06Å; R808-Q810 VanDerWaalsContact C-N 3.27Å
809	F	59.8	Low	57.6	Low	152 Å²	152	76.2 Å²	76.2	67%	0.667	36%	0.36	S	S	*	.	H	α-helix	trans	-71.3	-27.9	167.8	-73.4	-78.9	0	0	0	111.8	R806 L811 V812 F813	R806-F809 PolarHBondContact O-N 2.83Å; F809-L811 PolarHBondContact O-N 3.23Å; F809-V812 PolarHBondContact O-N 2.8Å; F809-F813 VanDerWaalsContact O-CB 3.26Å; F809-F813 WeakPolarHBondContact O-CB 3.11Å; F809-F813 PolarHBondContact O-N 3.02Å
810	Q	59.7	Low	58.6	Low	86 Å²	86	75.8 Å²	75.8	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-28	179.5	-166	167.7	-6.8	0	0	112.3	R806 V807 R808 F813 L814	R806-Q810 WeakPolarHBondContact O-CB 3.42Å; R806-Q810 PolarHBondContact O-N 3.25Å; V807-Q810 WeakPolarHBondContact O-CB 3.44Å; V807-Q810 PolarHBondContact O-N 3.28Å; R808-Q810 VanDerWaalsContact C-N 3.27Å; Q810-F813 CarbonylContact O-C 3.55Å; Q810-L814 HydrophobicContact CG-CD1 4.31Å; Q810-L814 HydrophobicContact CG-CG 4.43Å; Q810-L814 VanDerWaalsContact O-CB 3.28Å; Q810-L814 WeakPolarHBondContact O-CB 3.28Å; Q810-L814 WeakPolarHBondContact O-CG 3.33Å; Q810-L814 PolarHBondContact O-N 3.49Å
811	L	59	Low	59.1	Low	18 Å²	18	75.9 Å²	75.9	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-75.2	-44.2	177.8	-157	122.9	0	0	0	112.4	F475 M676 I680 F809 F813 L814 V815	F475-L811 HydrophobicContact CB-CD1 4.06Å; F475-L811 HydrophobicContact CD2-CD1 3.15Å; F475-L811 HydrophobicContact CE2-CD1 3.71Å; F475-L811 HydrophobicContact CG-CD1 3.83Å; M676-L811 HydrophobicContact CE-CD2 3.6Å; M676-L811 HydrophobicContact SD-CD2 3.36Å; M676-L811 WeakPolarHBondContact SD-CD2 3.3Å; I680-L811 HydrophobicContact CD1-CD1 4.1Å; I680-L811 HydrophobicContact CD1-CD2 3.85Å; F809-L811 PolarHBondContact O-N 3.23Å; L811-F813 PolarHBondContact O-N 3.37Å; L811-L814 PolarHBondContact O-N 2.94Å; L811-L814 VanDerWaalsContact O-N 3.15Å; L811-V815 WeakPolarHBondContact O-CG2 3.26Å; L811-V815 PolarHBondContact O-N 3.33Å
812	V	62.4	Low	59.7	Low	86 Å²	86	75.8 Å²	75.8	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-40.5	170.9	-179.9	0	0	0	0	110	F809 V815 A816	F809-V812 PolarHBondContact O-N 2.8Å; V812-V815 PolarHBondContact O-N 2.86Å; V812-A816 WeakPolarHBondContact O-CB 3.29Å; V812-A816 PolarHBondContact O-N 2.87Å
813	F	61.8	Low	60.2	Low	133 Å²	133	78.7 Å²	78.7	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-40.6	173.6	-176.8	-99.7	0	0	0	112.4	F809 Q810 L811 A816 V817	F809-F813 VanDerWaalsContact O-CB 3.26Å; F809-F813 WeakPolarHBondContact O-CB 3.11Å; F809-F813 PolarHBondContact O-N 3.02Å; Q810-F813 CarbonylContact O-C 3.55Å; L811-F813 PolarHBondContact O-N 3.37Å; F813-A816 CarbonylContact O-C 3.57Å; F813-A816 PolarHBondContact O-N 3.35Å; F813-V817 HydrophobicContact CD1-CG2 3.82Å; F813-V817 HydrophobicContact CE1-CG2 3.45Å; F813-V817 VanDerWaalsContact CE1-CG2 3.45Å; F813-V817 HydrophobicContact CE2-CG2 4.23Å; F813-V817 HydrophobicContact CG-CG2 4.35Å; F813-V817 HydrophobicContact CZ-CG2 3.68Å; F813-V817 WeakPolarHBondContact O-CB 3.43Å; F813-V817 VanDerWaalsContact O-CG2 3.23Å; F813-V817 WeakPolarHBondContact O-CG2 3.31Å; F813-V817 PolarHBondContact O-N 3.49Å
814	L	60.5	Low	61	Low	43 Å²	43	80.3 Å²	80.3	23%	0.225	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-39.6	177.1	-81.4	165.7	0	0	0	111.6	Q810 L811 V817 R818	Q810-L814 HydrophobicContact CG-CD1 4.31Å; Q810-L814 HydrophobicContact CG-CG 4.43Å; Q810-L814 VanDerWaalsContact O-CB 3.28Å; Q810-L814 WeakPolarHBondContact O-CB 3.28Å; Q810-L814 WeakPolarHBondContact O-CG 3.33Å; Q810-L814 PolarHBondContact O-N 3.49Å; L811-L814 PolarHBondContact O-N 2.94Å; L811-L814 VanDerWaalsContact O-N 3.15Å; L814-V817 PolarHBondContact O-N 3.1Å; L814-R818 WeakPolarHBondContact O-CB 3.42Å; L814-R818 PolarHBondContact O-N 2.9Å
815	V	62	Low	61.6	Low	49 Å²	49	83.7 Å²	83.7	30%	0.297	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-41.4	172.8	176.5	0	0	0	0	110.4	T471 L811 V812 R818 K819	T471-V815 HydrophobicContact CG2-CG2 4.22Å; L811-V815 WeakPolarHBondContact O-CG2 3.26Å; L811-V815 PolarHBondContact O-N 3.33Å; V812-V815 PolarHBondContact O-N 2.86Å; V815-R818 PolarHBondContact O-N 3.43Å; V815-K819 PolarHBondContact O-N 3.41Å
816	A	62.6	Low	62.3	Low	47 Å²	47	81.4 Å²	81.4	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-41	175.5	0	0	0	0	0	112.6	V812 F813 R818 K819 L820	V812-A816 WeakPolarHBondContact O-CB 3.29Å; V812-A816 PolarHBondContact O-N 2.87Å; F813-A816 CarbonylContact O-C 3.57Å; F813-A816 PolarHBondContact O-N 3.35Å; A816-R818 VanDerWaalsContact C-N 3.28Å; A816-R818 PolarHBondContact O-N 3.34Å; A816-K819 CarbonylContact O-C 3.56Å; A816-K819 PolarHBondContact O-N 3.35Å; A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 3.08Å
817	V	63.1	Low	62.6	Low	48 Å²	48	82.7 Å²	82.7	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-39.3	173.6	168.2	0	0	0	0	110.1	F813 L814 L820 L821	F813-V817 HydrophobicContact CD1-CG2 3.82Å; F813-V817 HydrophobicContact CE1-CG2 3.45Å; F813-V817 VanDerWaalsContact CE1-CG2 3.45Å; F813-V817 HydrophobicContact CE2-CG2 4.23Å; F813-V817 HydrophobicContact CG-CG2 4.35Å; F813-V817 HydrophobicContact CZ-CG2 3.68Å; F813-V817 WeakPolarHBondContact O-CB 3.43Å; F813-V817 VanDerWaalsContact O-CG2 3.23Å; F813-V817 WeakPolarHBondContact O-CG2 3.31Å; F813-V817 PolarHBondContact O-N 3.49Å; L814-V817 PolarHBondContact O-N 3.1Å; V817-L820 CarbonylContact O-C 3.5Å; V817-L820 WeakPolarHBondContact O-CA 3.29Å; V817-L820 WeakPolarHBondContact O-CB 3.39Å; V817-L820 PolarHBondContact O-N 2.97Å; V817-L820 VanDerWaalsContact O-N 3.15Å; V817-L821 HydrophobicContact CG1-CD1 4.45Å; V817-L821 WeakPolarHBondContact O-CG 3.33Å; V817-L821 PolarHBondContact O-N 3.02Å
818	R	63.5	Low	63	Low	32 Å²	32	87.7 Å²	87.7	12%	0.121	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-41.8	174.5	-177.1	157.9	168.7	-84.1	-20.1	112.6	Y466 T468 L814 V815 A816 L820 L821 E822 D834	Y466-R818 PolarHBondContact O-NH1 3.44Å; T468-R818 VanDerWaalsContact CB-CZ 3.4Å; T468-R818 PolarHBondContact OG1-NE 3.28Å; T468-R818 PolarHBondContact OG1-NH1 2.91Å; T468-R818 PolarHBondContact OG1-NH2 2.94Å; L814-R818 WeakPolarHBondContact O-CB 3.42Å; L814-R818 PolarHBondContact O-N 2.9Å; V815-R818 PolarHBondContact O-N 3.43Å; A816-R818 VanDerWaalsContact C-N 3.28Å; A816-R818 PolarHBondContact O-N 3.34Å; R818-L820 PolarHBondContact O-N 3.27Å; R818-L821 WeakPolarHBondContact O-CB 3.42Å; R818-L821 PolarHBondContact O-N 3.48Å; R818-L821 VanDerWaalsContact O-N 3.12Å; R818-E822 PolarHBondContact O-N 2.83Å; R818-D834 IonicContact CZ-OD1 3.45Å; R818-D834 IonicContact CZ-OD2 2.71Å; R818-D834 IonicContact NE-OD1 3.81Å; R818-D834 IonicContact NE-OD2 2.63Å; R818-D834 PolarHBondContact NE-OD2 3.47Å; R818-D834 IonicContact NH2-OD1 2.74Å; R818-D834 IonicContact NH2-OD2 2.84Å; R818-D834 PolarHBondContact NH2-OD2 3.41Å
819	K	66.7	Low	63.4	Low	104 Å²	104	90.3 Å²	90.3	45%	0.452	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-32.3	170	-93.7	-75.6	170.4	-153.8	0	112.6	V815 A816 E822	V815-K819 PolarHBondContact O-N 3.41Å; A816-K819 CarbonylContact O-C 3.56Å; A816-K819 PolarHBondContact O-N 3.35Å; K819-E822 WeakPolarHBondContact CD-OE2 3.45Å; K819-E822 WeakPolarHBondContact CE-OE1 3.37Å; K819-E822 IonicContact NZ-OE1 3.94Å; K819-E822 PolarHBondContact NZ-OE1 2.99Å; K819-E822 IonicContact NZ-OE2 3.72Å; K819-E822 PolarHBondContact NZ-OE2 2.94Å; K819-E822 WeakPolarHBondContact O-CB 3.28Å; K819-E822 PolarHBondContact O-N 3.46Å
820	L	65.7	Low	63.5	Low	106 Å²	106	83.8 Å²	83.8	56%	0.555	42%	0.422	S	S	*	.	H	α-helix	trans	-72.5	-31.7	172.9	-79.4	163.4	0	0	0	112.7	A816 V817 R818 E822 F823	A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 3.08Å; V817-L820 CarbonylContact O-C 3.5Å; V817-L820 WeakPolarHBondContact O-CA 3.29Å; V817-L820 WeakPolarHBondContact O-CB 3.39Å; V817-L820 PolarHBondContact O-N 2.97Å; V817-L820 VanDerWaalsContact O-N 3.15Å; R818-L820 PolarHBondContact O-N 3.27Å; L820-E822 PolarHBondContact O-N 3.25Å; L820-F823 HydrophobicContact CD2-CD2 4.42Å; L820-F823 WeakPolarHBondContact O-CB 3.36Å; L820-F823 PolarHBondContact O-N 3.29Å
821	L	62.9	Low	63.6	Low	43 Å²	43	84.1 Å²	84.1	23%	0.225	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-28	174.9	-75.5	165.2	0	0	0	111.7	V817 R818 F823 V824 F825 L830	V817-L821 HydrophobicContact CG1-CD1 4.45Å; V817-L821 WeakPolarHBondContact O-CG 3.33Å; V817-L821 PolarHBondContact O-N 3.02Å; R818-L821 WeakPolarHBondContact O-CB 3.42Å; R818-L821 PolarHBondContact O-N 3.48Å; R818-L821 VanDerWaalsContact O-N 3.12Å; L821-F823 PolarHBondContact O-N 3.02Å; L821-V824 PolarHBondContact O-N 3.46Å; L821-V824 VanDerWaalsContact O-N 3.07Å; L821-F825 HydrophobicContact CB-CD2 4.38Å; L821-F825 HydrophobicContact CD2-CD2 3.56Å; L821-F825 HydrophobicContact CD2-CE2 3.44Å; L821-F825 VanDerWaalsContact CD2-CE2 3.44Å; L821-F825 PolarHBondContact O-N 3.46Å; L821-L830 HydrophobicContact CB-CD2 4.24Å
822	E	63.6	Low	63.6	Low	89 Å²	89	87.8 Å²	87.8	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-22.7	171.1	-63.1	175.4	-169.3	0	0	113.1	R818 K819 L820 L830	R818-E822 PolarHBondContact O-N 2.83Å; K819-E822 WeakPolarHBondContact CD-OE2 3.45Å; K819-E822 WeakPolarHBondContact CE-OE1 3.37Å; K819-E822 IonicContact NZ-OE1 3.94Å; K819-E822 PolarHBondContact NZ-OE1 2.99Å; K819-E822 IonicContact NZ-OE2 3.72Å; K819-E822 PolarHBondContact NZ-OE2 2.94Å; K819-E822 WeakPolarHBondContact O-CB 3.28Å; K819-E822 PolarHBondContact O-N 3.46Å; L820-E822 PolarHBondContact O-N 3.25Å; E822-L830 HydrophobicContact CG-CD2 3.95Å
823	F	65.5	Low	63.5	Low	179 Å²	179	88.1 Å²	88.1	79%	0.785	43%	0.434	S	S	*	.	H	α-helix	trans	-83.5	-21.9	175.1	-73	-84.5	0	0	0	113.5	L820 L821	L820-F823 HydrophobicContact CD2-CD2 4.42Å; L820-F823 WeakPolarHBondContact O-CB 3.36Å; L820-F823 PolarHBondContact O-N 3.29Å; L821-F823 PolarHBondContact O-N 3.02Å
824	V	69.9	Low	63.4	Low	113 Å²	113	83 Å²	83	69%	0.685	41%	0.413	S	S	*	.	H	α-helix	trans	-101.4	-33.6	-175	-178.8	0	0	0	0	111.4	L821	L821-V824 PolarHBondContact O-N 3.46Å; L821-V824 VanDerWaalsContact O-N 3.07Å
825	F	65.2	Low	63.2	Low	86 Å²	86	85.2 Å²	85.2	38%	0.377	43%	0.425	S	S	.	.	S	Bend	trans	-116.7	144.5	-174.8	-67.4	-85.1	0	0	0	110.6	L821 E829 L830	L821-F825 HydrophobicContact CB-CD2 4.38Å; L821-F825 HydrophobicContact CD2-CD2 3.56Å; L821-F825 HydrophobicContact CD2-CE2 3.44Å; L821-F825 VanDerWaalsContact CD2-CE2 3.44Å; L821-F825 PolarHBondContact O-N 3.46Å; F825-E829 HydrophobicContact CB-CB 4.32Å; F825-E829 HydrophobicContact CD1-CB 4.35Å; F825-E829 WeakPolarHBondContact CD1-OE2 3.37Å; F825-L830 HydrophobicContact CB-CD1 3.51Å; F825-L830 HydrophobicContact CB-CG 4.39Å; F825-L830 WeakPolarHBondContact O-CD1 3.03Å
826	T	67.8	Low	62.6	Low	88 Å²	88	88.5 Å²	88.5	54%	0.54	44%	0.435	S	S	.	.			trans	-67.1	152.6	174.4	59.3	0	0	0	0	110.7	H828 E829 L830	T826-H828 PolarHBondContact O-N 2.87Å; T826-E829 PolarHBondContact O-N 2.97Å; T826-L830 PolarHBondContact O-N 3.42Å; T826-L830 VanDerWaalsContact O-N 3.08Å
827	E	63.5	Low	61.6	Low	170 Å²	170	89 Å²	89	79%	0.794	43%	0.43	S	S	*	.	H	α-helix	trans	-53.4	-32.1	178.7	-70.1	-172.3	159.1	0	0	112.7	K831	E827-K831 WeakPolarHBondContact O-CB 3.36Å; E827-K831 PolarHBondContact O-N 2.85Å
828	H	63.4	Low	60.5	Low	123 Å²	123	90.8 Å²	90.8	57%	0.569	44%	0.443	S	S	*	.	H	α-helix	trans	-67.3	-37.4	175.7	-70.4	22.2	0	0	0	112.7	T826 K831 Y832	T826-H828 PolarHBondContact O-N 2.87Å; H828-K831 WeakPolarHBondContact O-CB 3.39Å; H828-K831 PolarHBondContact O-N 3.26Å; H828-Y832 WeakPolarHBondContact O-CD2 3.33Å
829	E	62.9	Low	59.6	Low	102 Å²	102	92.9 Å²	92.9	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-74.5	-36.4	177.2	-71.3	-165.2	148.3	0	0	112.6	F825 T826 K831 Y832	F825-E829 HydrophobicContact CB-CB 4.32Å; F825-E829 HydrophobicContact CD1-CB 4.35Å; F825-E829 WeakPolarHBondContact CD1-OE2 3.37Å; T826-E829 PolarHBondContact O-N 2.97Å; E829-K831 VanDerWaalsContact C-N 3.3Å; E829-K831 PolarHBondContact O-N 3.24Å; E829-Y832 PolarHBondContact O-N 2.72Å
830	L	61.3	Low	58.8	Low	14 Å²	14	94.5 Å²	94.5	7%	0.073	47%	0.469	C	S	.	.	H	α-helix	trans	-64.6	-34.9	171.2	-86.6	104.1	0	0	0	112.3	L821 E822 F825 T826 Y832 L833 D834	L821-L830 HydrophobicContact CB-CD2 4.24Å; E822-L830 HydrophobicContact CG-CD2 3.95Å; F825-L830 HydrophobicContact CB-CD1 3.51Å; F825-L830 HydrophobicContact CB-CG 4.39Å; F825-L830 WeakPolarHBondContact O-CD1 3.03Å; T826-L830 PolarHBondContact O-N 3.42Å; T826-L830 VanDerWaalsContact O-N 3.08Å; L830-Y832 PolarHBondContact O-N 3Å; L830-L833 WeakPolarHBondContact O-CB 3.39Å; L830-L833 PolarHBondContact O-N 3.11Å; L830-D834 PolarHBondContact O-N 3.44Å
831	K	62.5	Low	58	Low	94 Å²	94	96.9 Å²	96.9	41%	0.409	48%	0.475	S	S	.	.	H	α-helix	trans	-57.7	-35.4	176.6	-163.7	175.7	-178.2	-179.5	0	111.8	E326 E827 H828 E829 L833 D834 D835	E326-K831 IonicContact OE1-NZ 2.87Å; E827-K831 WeakPolarHBondContact O-CB 3.36Å; E827-K831 PolarHBondContact O-N 2.85Å; H828-K831 WeakPolarHBondContact O-CB 3.39Å; H828-K831 PolarHBondContact O-N 3.26Å; E829-K831 VanDerWaalsContact C-N 3.3Å; E829-K831 PolarHBondContact O-N 3.24Å; K831-L833 VanDerWaalsContact C-N 3.29Å; K831-L833 PolarHBondContact O-N 3.32Å; K831-D834 PolarHBondContact O-N 3.35Å; K831-D835 PolarHBondContact O-N 3.42Å
832	Y	59.1	Low	57.7	Low	95 Å²	95	98.8 Å²	98.8	37%	0.373	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-26.7	174.8	-72.4	-61.5	0	0	0	114.3	H828 E829 L830 M837 R843	H828-Y832 WeakPolarHBondContact O-CD2 3.33Å; E829-Y832 PolarHBondContact O-N 2.72Å; L830-Y832 PolarHBondContact O-N 3Å; Y832-M837 HydrophobicContact CE1-SD 4.47Å; Y832-R843 HydrophobicContact CE1-CG 4.05Å
833	L	59.8	Low	57	Low	92 Å²	92	99.7 Å²	99.7	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-79.4	-28.7	176.7	-69.4	168.3	0	0	0	111.9	L830 K831	L830-L833 WeakPolarHBondContact O-CB 3.39Å; L830-L833 PolarHBondContact O-N 3.11Å; K831-L833 VanDerWaalsContact C-N 3.29Å; K831-L833 PolarHBondContact O-N 3.32Å
834	D	60.3	Low	56.6	Low	27 Å²	27	94.3 Å²	94.3	14%	0.144	46%	0.461	C	S	.	.	H	α-helix	trans	-94.2	-13.7	-177.6	-72.6	-46.3	0	0	0	114.4	T468 R469 F470 R818 L830 K831	T468-D834 WeakPolarHBondContact CB-OD1 3.37Å; T468-D834 PolarHBondContact OG1-OD1 2.93Å; R469-D834 WeakPolarHBondContact CB-O 3.46Å; R469-D834 WeakPolarHBondContact CD-O 3.4Å; F470-D834 WeakPolarHBondContact CB-OD1 3.33Å; F470-D834 PolarHBondContact N-OD1 2.83Å; R818-D834 IonicContact CZ-OD1 3.45Å; R818-D834 IonicContact CZ-OD2 2.71Å; R818-D834 IonicContact NE-OD1 3.81Å; R818-D834 IonicContact NE-OD2 2.63Å; R818-D834 PolarHBondContact NE-OD2 3.47Å; R818-D834 IonicContact NH2-OD1 2.74Å; R818-D834 IonicContact NH2-OD2 2.84Å; R818-D834 PolarHBondContact NH2-OD2 3.41Å; L830-D834 PolarHBondContact O-N 3.44Å; K831-D834 PolarHBondContact O-N 3.35Å
835	D	55.7	Low	56.1	Low	88 Å²	88	94.5 Å²	94.5	47%	0.471	45%	0.453	S	S	.	.	S	Bend	trans	-103.3	132.3	172.3	-87.6	-33.9	0	0	0	112.7	K831 M837	K831-D835 PolarHBondContact O-N 3.42Å; D835-M837 PolarHBondContact O-N 2.93Å; D835-M837 VanDerWaalsContact O-N 3.15Å
836	K	49.6	Very low	55.9	Low	118 Å²	118	94.9 Å²	94.9	51%	0.513	46%	0.456	S	S	.	.			trans	-71.9	110.8	156.1	-107.3	-177.6	-159.9	158	0	104.8	R469 E689 P838	R469-K836 VanDerWaalsContact NH1-CB 3.3Å; E689-K836 IonicContact OE1-NZ 4Å; K836-P838 WeakPolarHBondContact O-CD 3.39Å
837	M	40.7	Very low	55.7	Low	58 Å²	58	94.3 Å²	94.3	29%	0.286	45%	0.45	S	S	.	.			trans	-70.7	117.4	149.4	-108.4	176.4	70.5	0	0	109.9	Y832 D835 D839 R843	Y832-M837 HydrophobicContact CE1-SD 4.47Å; D835-M837 PolarHBondContact O-N 2.93Å; D835-M837 VanDerWaalsContact O-N 3.15Å; M837-D839 VanDerWaalsContact CE-C 3.42Å; M837-D839 WeakPolarHBondContact CE-O 3.38Å; M837-R843 HydrophobicContact CE-CB 3.77Å; M837-R843 HydrophobicContact CE-CG 3.46Å; M837-R843 VanDerWaalsContact CE-CG 3.46Å; M837-R843 VanDerWaalsContact CE-NE 3.26Å; M837-R843 HydrophobicContact SD-CB 4.21Å; M837-R843 WeakPolarHBondContact SD-CD 3.21Å; M837-R843 HydrophobicContact SD-CG 3.37Å; M837-R843 WeakPolarHBondContact SD-CG 3.28Å; M837-R843 VanDerWaalsContact SD-CZ 3.54Å; M837-R843 PolarHBondContact SD-NE 2.95Å
838	P	40	Very low	55.7	Low	86 Å²	86	88.4 Å²	88.4	56%	0.558	43%	0.425	S	S	*	.				-79.4	152.9	126.2	36.7	-26.5	0	0	0	108	K836	K836-P838 WeakPolarHBondContact O-CD 3.39Å
839	D	46.1	Very low	55.7	Low	76 Å²	76	86.2 Å²	86.2	41%	0.406	41%	0.414	S	S	.	.			trans	83.9	85.8	169	-45.8	-26.3	0	0	0	116	M837 F841 L842	M837-D839 VanDerWaalsContact CE-C 3.42Å; M837-D839 WeakPolarHBondContact CE-O 3.38Å; D839-F841 HydrophobicContact CB-CB 4.49Å; D839-F841 PolarHBondContact O-N 3.43Å; D839-L842 HydrophobicContact CB-CB 4.39Å; D839-L842 HydrophobicContact CB-CD1 4.04Å; D839-L842 HydrophobicContact CB-CG 4.09Å; D839-L842 PolarHBondContact O-N 3.14Å
840	I	49.1	Very low	55.8	Low	137 Å²	137	84.6 Å²	84.6	70%	0.703	41%	0.408	S	S	*	.	H	α-helix	trans	-44	-28	159.5	-62.8	163.4	0	0	0	111.5	R843 H844	I840-R843 WeakPolarHBondContact O-CB 3.47Å; I840-H844 PolarHBondContact O-N 2.96Å
841	F	49.5	Very low	56	Low	157 Å²	157	90.2 Å²	90.2	69%	0.689	43%	0.432	S	S	*	.	H	α-helix	trans	-68.5	-30.6	175.7	-65.5	-76.6	0	0	0	115	D839 K845	D839-F841 HydrophobicContact CB-CB 4.49Å; D839-F841 PolarHBondContact O-N 3.43Å; F841-K845 PolarHBondContact O-N 3.34Å
842	L	56.6	Low	56	Low	82 Å²	82	92.9 Å²	92.9	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-72.7	-41.4	176.1	-77.3	168.4	0	0	0	111	D839 H844 K845 E846	D839-L842 HydrophobicContact CB-CB 4.39Å; D839-L842 HydrophobicContact CB-CD1 4.04Å; D839-L842 HydrophobicContact CB-CG 4.09Å; D839-L842 PolarHBondContact O-N 3.14Å; L842-H844 VanDerWaalsContact C-N 3.3Å; L842-H844 PolarHBondContact O-N 3.46Å; L842-K845 WeakPolarHBondContact O-CB 3.49Å; L842-K845 PolarHBondContact O-N 3.24Å; L842-K845 VanDerWaalsContact O-N 3.09Å; L842-E846 PolarHBondContact O-N 3.24Å
843	R	48.9	Very low	56.3	Low	109 Å²	109	95.1 Å²	95.1	41%	0.411	46%	0.457	S	S	.	.	H	α-helix	trans	-49.7	-52.7	168.6	-103.9	169.7	-153.7	172.8	15.3	111.3	Y832 M837 I840 K845 E846 D847	Y832-R843 HydrophobicContact CE1-CG 4.05Å; M837-R843 HydrophobicContact CE-CB 3.77Å; M837-R843 HydrophobicContact CE-CG 3.46Å; M837-R843 VanDerWaalsContact CE-CG 3.46Å; M837-R843 VanDerWaalsContact CE-NE 3.26Å; M837-R843 HydrophobicContact SD-CB 4.21Å; M837-R843 WeakPolarHBondContact SD-CD 3.21Å; M837-R843 HydrophobicContact SD-CG 3.37Å; M837-R843 WeakPolarHBondContact SD-CG 3.28Å; M837-R843 VanDerWaalsContact SD-CZ 3.54Å; M837-R843 PolarHBondContact SD-NE 2.95Å; I840-R843 WeakPolarHBondContact O-CB 3.47Å; R843-K845 VanDerWaalsContact C-N 3.27Å; R843-K845 PolarHBondContact O-N 3.38Å; R843-E846 PolarHBondContact O-N 3.42Å; R843-D847 WeakPolarHBondContact O-CB 3.22Å; R843-D847 VanDerWaalsContact O-CG 3.3Å; R843-D847 PolarHBondContact O-N 3.45Å
844	H	56.5	Low	56.6	Low	65 Å²	65	98.6 Å²	98.6	30%	0.301	47%	0.468	S	S	.	.	H	α-helix	trans	-66	-32.1	-177.3	-152.7	-47.9	0	0	0	112.3	I840 L842 V848 R910	I840-H844 PolarHBondContact O-N 2.96Å; L842-H844 VanDerWaalsContact C-N 3.3Å; L842-H844 PolarHBondContact O-N 3.46Å; H844-V848 WeakPolarHBondContact O-CB 3.44Å; H844-V848 WeakPolarHBondContact O-CG2 2.73Å; H844-V848 PolarHBondContact O-N 2.88Å; H844-V848 VanDerWaalsContact O-N 3.16Å; H844-R910 PolarHBondContact CE1-NH1 2.85Å; H844-R910 PolarHBondContact NE2-NH1 2.86Å
845	K	59.1	Low	56.6	Low	117 Å²	117	101.6 Å²	101.6	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-69.9	-40.7	173.7	-85.4	-179.7	174.3	176.9	0	112.6	F841 L842 R843 V848 K849	F841-K845 PolarHBondContact O-N 3.34Å; L842-K845 WeakPolarHBondContact O-CB 3.49Å; L842-K845 PolarHBondContact O-N 3.24Å; L842-K845 VanDerWaalsContact O-N 3.09Å; R843-K845 VanDerWaalsContact C-N 3.27Å; R843-K845 PolarHBondContact O-N 3.38Å; K845-V848 PolarHBondContact O-N 2.92Å; K845-K849 WeakPolarHBondContact O-CG 3.09Å; K845-K849 PolarHBondContact O-N 3.41Å
846	E	61.5	Low	56.4	Low	95 Å²	95	98.8 Å²	98.8	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-67.9	-44.5	177.1	-74.3	176.5	169.7	0	0	111.4	L842 R843 V848 K849 I850	L842-E846 PolarHBondContact O-N 3.24Å; R843-E846 PolarHBondContact O-N 3.42Å; E846-V848 VanDerWaalsContact C-N 3.26Å; E846-V848 PolarHBondContact O-N 3.05Å; E846-K849 WeakPolarHBondContact O-CA 2.8Å; E846-K849 WeakPolarHBondContact O-CB 3.39Å; E846-K849 PolarHBondContact O-N 3.16Å; E846-I850 WeakPolarHBondContact O-CG1 3.49Å; E846-I850 PolarHBondContact O-N 2.89Å
847	D	63.3	Low	56.9	Low	75 Å²	75	96.7 Å²	96.7	40%	0.401	48%	0.478	S	S	.	.	H	α-helix	trans	-59.5	-38	175.5	-70.3	-23.2	0	0	0	112	R843 K851	R843-D847 WeakPolarHBondContact O-CB 3.22Å; R843-D847 VanDerWaalsContact O-CG 3.3Å; R843-D847 PolarHBondContact O-N 3.45Å; D847-K851 WeakPolarHBondContact O-CG 3.15Å; D847-K851 PolarHBondContact O-N 3.48Å
848	V	63.7	Low	57.9	Low	47 Å²	47	100.5 Å²	100.5	29%	0.285	50%	0.499	S	S	.	.	H	α-helix	trans	-68.7	-36.8	174.9	169.8	0	0	0	0	111.4	H844 K845 E846 K851 K852	H844-V848 WeakPolarHBondContact O-CB 3.44Å; H844-V848 WeakPolarHBondContact O-CG2 2.73Å; H844-V848 PolarHBondContact O-N 2.88Å; H844-V848 VanDerWaalsContact O-N 3.16Å; K845-V848 PolarHBondContact O-N 2.92Å; E846-V848 VanDerWaalsContact C-N 3.26Å; E846-V848 PolarHBondContact O-N 3.05Å; V848-K851 PolarHBondContact O-N 3.29Å; V848-K852 HydrophobicContact CG1-CD 4.38Å; V848-K852 WeakPolarHBondContact O-CB 3.37Å; V848-K852 WeakPolarHBondContact O-CG 3.15Å; V848-K852 PolarHBondContact O-N 2.89Å
849	K	63.8	Low	58.8	Low	77 Å²	77	103.7 Å²	103.7	34%	0.335	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-47.2	174	-77.5	-179.3	-177	179.3	0	111.6	I318 V322 K845 E846 K851 K852 E853	I318-K849 HydrophobicContact CG2-CD 4.27Å; V322-K849 HydrophobicContact CG2-CD 4.44Å; K845-K849 WeakPolarHBondContact O-CG 3.09Å; K845-K849 PolarHBondContact O-N 3.41Å; E846-K849 WeakPolarHBondContact O-CA 2.8Å; E846-K849 WeakPolarHBondContact O-CB 3.39Å; E846-K849 PolarHBondContact O-N 3.16Å; K849-K851 VanDerWaalsContact C-N 3.28Å; K849-K851 PolarHBondContact O-N 3.49Å; K849-K852 CarbonylContact O-C 3.56Å; K849-K852 WeakPolarHBondContact O-CA 3.31Å; K849-K852 PolarHBondContact O-N 3.19Å; K849-E853 PolarHBondContact O-N 3.46Å
850	I	64.6	Low	59.4	Low	67 Å²	67	105.2 Å²	105.2	34%	0.344	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-40.3	178.5	-65.1	168.8	0	0	0	110.5	E846 E853 K854	E846-I850 WeakPolarHBondContact O-CG1 3.49Å; E846-I850 PolarHBondContact O-N 2.89Å; I850-E853 PolarHBondContact O-N 3.19Å; I850-K854 HydrophobicContact CG2-CD 4.33Å; I850-K854 WeakPolarHBondContact O-CG 3.25Å; I850-K854 PolarHBondContact O-N 3.2Å
851	K	65.6	Low	59.9	Low	133 Å²	133	104 Å²	104	58%	0.578	50%	0.503	S	S	*	.	H	α-helix	trans	-63.8	-41.2	173.4	-77.7	-178.6	178.6	-178.9	0	112.2	D847 V848 K849 K854 V855	D847-K851 WeakPolarHBondContact O-CG 3.15Å; D847-K851 PolarHBondContact O-N 3.48Å; V848-K851 PolarHBondContact O-N 3.29Å; K849-K851 VanDerWaalsContact C-N 3.28Å; K849-K851 PolarHBondContact O-N 3.49Å; K851-K854 PolarHBondContact O-N 3.36Å; K851-V855 WeakPolarHBondContact O-CB 3.27Å; K851-V855 WeakPolarHBondContact O-CG2 3.46Å; K851-V855 PolarHBondContact O-N 3.45Å
852	K	63.3	Low	60.4	Low	149 Å²	149	99.2 Å²	99.2	65%	0.648	49%	0.493	S	S	*	.	H	α-helix	trans	-67.2	-38	176.3	-78.1	-177	177.6	-174.7	0	112.8	V848 K849 V855 G856	V848-K852 HydrophobicContact CG1-CD 4.38Å; V848-K852 WeakPolarHBondContact O-CB 3.37Å; V848-K852 WeakPolarHBondContact O-CG 3.15Å; V848-K852 PolarHBondContact O-N 2.89Å; K849-K852 CarbonylContact O-C 3.56Å; K849-K852 WeakPolarHBondContact O-CA 3.31Å; K849-K852 PolarHBondContact O-N 3.19Å; K852-V855 PolarHBondContact O-N 2.74Å; K852-G856 WeakPolarHBondContact O-CA 3.47Å; K852-G856 PolarHBondContact O-N 3.22Å
853	E	65	Low	60.3	Low	143 Å²	143	100 Å²	100	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-67.5	-37.6	176	-81	180	160.2	0	0	112.3	K849 I850 P857	K849-E853 PolarHBondContact O-N 3.46Å; I850-E853 PolarHBondContact O-N 3.19Å; E853-P857 WeakPolarHBondContact O-CD 3.46Å
854	K	65.3	Low	60.7	Low	164 Å²	164	98.9 Å²	98.9	71%	0.713	50%	0.495	S	S	*	.	H	α-helix	trans	-71.6	-31.7	175.9	-71.4	-178.5	-179.7	-178.2	0	113.3	I850 K851	I850-K854 HydrophobicContact CG2-CD 4.33Å; I850-K854 WeakPolarHBondContact O-CG 3.25Å; I850-K854 PolarHBondContact O-N 3.2Å; K851-K854 PolarHBondContact O-N 3.36Å
855	V	61	Low	60.8	Low	90 Å²	90	98.5 Å²	98.5	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-94.1	-27.5	-176.3	178.6	0	0	0	0	112.6	K851 K852 L858 F859	K851-V855 WeakPolarHBondContact O-CB 3.27Å; K851-V855 WeakPolarHBondContact O-CG2 3.46Å; K851-V855 PolarHBondContact O-N 3.45Å; K852-V855 PolarHBondContact O-N 2.74Å; V855-L858 VanDerWaalsContact O-CB 3.31Å; V855-L858 WeakPolarHBondContact O-CB 3.46Å; V855-L858 PolarHBondContact O-N 3.45Å; V855-L858 VanDerWaalsContact O-N 3.09Å; V855-F859 PolarHBondContact O-N 3.12Å; V855-F859 VanDerWaalsContact O-N 3.16Å
856	G	51.8	Low	60.6	Low	29 Å²	29	98.7 Å²	98.7	30%	0.299	51%	0.509	S	S	.	.	H	α-helix	trans	-49.8	-55.2	-179.3	0	0	0	0	0	115	K852 L858 F859 E860	K852-G856 WeakPolarHBondContact O-CA 3.47Å; K852-G856 PolarHBondContact O-N 3.22Å; G856-L858 PolarHBondContact O-N 3.45Å; G856-F859 PolarHBondContact O-N 2.89Å; G856-F859 VanDerWaalsContact O-N 3.11Å; G856-E860 PolarHBondContact O-N 2.99Å
857	P	60.4	Low	60.2	Low	75 Å²	75	99.1 Å²	99.1	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-25.1	-179.6	23.5	-31.1	0	0	0	112.8	E853 N861	E853-P857 WeakPolarHBondContact O-CD 3.46Å; P857-N861 WeakPolarHBondContact O-CB 3.48Å; P857-N861 PolarHBondContact O-N 3.44Å; P857-N861 VanDerWaalsContact O-N 3.15Å; P857-N861 PolarHBondContact O-ND2 2.82Å
858	L	61.9	Low	59.8	Low	138 Å²	138	101.2 Å²	101.2	72%	0.723	53%	0.528	S	S	*	.	H	α-helix	trans	-69.8	-38.5	175.3	-143.7	99.4	0	0	0	111.3	V855 G856 A862	V855-L858 VanDerWaalsContact O-CB 3.31Å; V855-L858 WeakPolarHBondContact O-CB 3.46Å; V855-L858 PolarHBondContact O-N 3.45Å; V855-L858 VanDerWaalsContact O-N 3.09Å; G856-L858 PolarHBondContact O-N 3.45Å; L858-A862 PolarHBondContact O-N 2.87Å
859	F	58.2	Low	59.1	Low	152 Å²	152	104 Å²	104	67%	0.667	54%	0.541	S	S	*	.	H	α-helix	trans	-77	-37.4	178.7	-163.8	-96.7	0	0	0	112.3	V855 G856 A862 K863	V855-F859 PolarHBondContact O-N 3.12Å; V855-F859 VanDerWaalsContact O-N 3.16Å; G856-F859 PolarHBondContact O-N 2.89Å; G856-F859 VanDerWaalsContact O-N 3.11Å; F859-A862 PolarHBondContact O-N 3.1Å; F859-K863 WeakPolarHBondContact O-CB 3.03Å; F859-K863 PolarHBondContact O-N 2.79Å
860	E	58.3	Low	58.1	Low	109 Å²	109	106.2 Å²	106.2	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-42.5	175.3	-144	89.8	-142.3	0	0	111.2	G856 A862 K863 N864	G856-E860 PolarHBondContact O-N 2.99Å; E860-A862 VanDerWaalsContact C-N 3.35Å; E860-A862 PolarHBondContact O-N 3.07Å; E860-K863 PolarHBondContact O-N 3.1Å; E860-N864 WeakPolarHBondContact O-CB 2.96Å; E860-N864 VanDerWaalsContact O-CG 3.23Å; E860-N864 PolarHBondContact O-N 3.18Å; E860-N864 PolarHBondContact O-ND2 3.12Å
861	N	60	Low	57.1	Low	110 Å²	110	106.6 Å²	106.6	59%	0.588	56%	0.561	S	S	*	*	H	α-helix	trans	-64.4	-38.8	175.8	-73.4	-15.5	0	0	0	112.1	P857 A865	P857-N861 WeakPolarHBondContact O-CB 3.48Å; P857-N861 PolarHBondContact O-N 3.44Å; P857-N861 VanDerWaalsContact O-N 3.15Å; P857-N861 PolarHBondContact O-ND2 2.82Å; N861-A865 WeakPolarHBondContact O-CB 3.38Å; N861-A865 PolarHBondContact O-N 3.43Å; N861-A865 VanDerWaalsContact O-N 3.08Å
862	A	59.6	Low	56.5	Low	57 Å²	57	108.1 Å²	108.1	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-66.8	-39	174.4	0	0	0	0	0	112.2	L858 F859 E860 A865 L866	L858-A862 PolarHBondContact O-N 2.87Å; F859-A862 PolarHBondContact O-N 3.1Å; E860-A862 VanDerWaalsContact C-N 3.35Å; E860-A862 PolarHBondContact O-N 3.07Å; A862-A865 PolarHBondContact O-N 2.96Å; A862-L866 PolarHBondContact O-N 3.07Å
863	K	55.6	Low	56.1	Low	100 Å²	100	104.7 Å²	104.7	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-67.3	-41.5	176.6	-174.1	-178.9	175.6	-174.9	0	112.2	F859 E860 L866 M867	F859-K863 WeakPolarHBondContact O-CB 3.03Å; F859-K863 PolarHBondContact O-N 2.79Å; E860-K863 PolarHBondContact O-N 3.1Å; K863-L866 WeakPolarHBondContact O-CB 3.45Å; K863-L866 PolarHBondContact O-N 3.43Å; K863-L866 VanDerWaalsContact O-N 3.16Å; K863-M867 PolarHBondContact O-N 3.37Å
864	N	57.1	Low	55.8	Low	85 Å²	85	101 Å²	101	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-66.1	-38.7	177.1	-70.2	-19.2	0	0	0	111.7	E860 L866 M867 T868	E860-N864 WeakPolarHBondContact O-CB 2.96Å; E860-N864 VanDerWaalsContact O-CG 3.23Å; E860-N864 PolarHBondContact O-N 3.18Å; E860-N864 PolarHBondContact O-ND2 3.12Å; N864-L866 VanDerWaalsContact C-N 3.29Å; N864-L866 PolarHBondContact O-N 3.48Å; N864-M867 PolarHBondContact O-N 2.96Å; N864-T868 PolarHBondContact O-N 3.1Å
865	A	58.4	Low	55.2	Low	56 Å²	56	95.8 Å²	95.8	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-32.8	172.1	0	0	0	0	0	112.7	N861 A862 T868	N861-A865 WeakPolarHBondContact O-CB 3.38Å; N861-A865 PolarHBondContact O-N 3.43Å; N861-A865 VanDerWaalsContact O-N 3.08Å; A862-A865 PolarHBondContact O-N 2.96Å; A865-T868 PolarHBondContact O-OG1 3.47Å
866	L	53.5	Low	55.1	Low	122 Å²	122	96.1 Å²	96.1	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-73.5	-35.9	176.1	-155.2	82.4	0	0	0	112.4	A862 K863 N864 T868 L869	A862-L866 PolarHBondContact O-N 3.07Å; K863-L866 WeakPolarHBondContact O-CB 3.45Å; K863-L866 PolarHBondContact O-N 3.43Å; K863-L866 VanDerWaalsContact O-N 3.16Å; N864-L866 VanDerWaalsContact C-N 3.29Å; N864-L866 PolarHBondContact O-N 3.48Å; L866-T868 PolarHBondContact O-N 2.85Å; L866-L869 PolarHBondContact O-N 3.32Å
867	M	53.4	Low	55.3	Low	104 Å²	104	98.5 Å²	98.5	51%	0.512	53%	0.53	S	S	.	.	H	α-helix	trans	-70	-27.6	178.6	-81.6	-173.4	174.2	0	0	113.5	K863 N864 L869 Q870	K863-M867 PolarHBondContact O-N 3.37Å; N864-M867 PolarHBondContact O-N 2.96Å; M867-L869 PolarHBondContact O-N 3.41Å; M867-Q870 WeakPolarHBondContact O-CB 3.3Å; M867-Q870 PolarHBondContact O-N 3.34Å
868	T	54.6	Low	55	Low	119 Å²	119	99.6 Å²	99.6	73%	0.73	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11.3	177.2	46.7	0	0	0	0	114.6	N864 A865 L866	N864-T868 PolarHBondContact O-N 3.1Å; A865-T868 PolarHBondContact O-OG1 3.47Å; L866-T868 PolarHBondContact O-N 2.85Å
869	L	49.1	Very low	54.9	Low	105 Å²	105	96.9 Å²	96.9	55%	0.55	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.2	178.2	-70.1	168.7	0	0	0	113.3	L866 M867 S871	L866-L869 PolarHBondContact O-N 3.32Å; M867-L869 PolarHBondContact O-N 3.41Å; L869-S871 PolarHBondContact O-N 3.34Å
870	Q	44.3	Very low	55	Low	123 Å²	123	95.4 Å²	95.4	58%	0.575	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	96.7	-171.2	-153	168.9	-8.1	0	0	110.8	M867	M867-Q870 WeakPolarHBondContact O-CB 3.3Å; M867-Q870 PolarHBondContact O-N 3.34Å
871	S	43.6	Very low	55.6	Low	76 Å²	76	94 Å²	94	53%	0.531	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.2	169.1	62.5	0	0	0	0	111.2	L869 D873 N874	L869-S871 PolarHBondContact O-N 3.34Å; S871-D873 VanDerWaalsContact C-N 3.32Å; S871-D873 PolarHBondContact O-N 3.33Å; S871-N874 PolarHBondContact O-N 2.87Å
872	D	51.5	Low	55.7	Low	164 Å²	164	92.1 Å²	92.1	88%	0.877	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	26.4	2.6	159.3	-74.4	-6.2	0	0	0	125.3
873	D	55.9	Low	56.2	Low	78 Å²	78	96.2 Å²	96.2	42%	0.417	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-168.4	-9.5	161.9	-102.1	-30.1	0	0	0	113.6	S871 L889 K890	S871-D873 VanDerWaalsContact C-N 3.32Å; S871-D873 PolarHBondContact O-N 3.33Å; D873-L889 PolarHBondContact O-N 3.13Å; D873-K890 VanDerWaalsContact CG-NZ 3.28Å; D873-K890 VanDerWaalsContact OD1-CE 3.23Å; D873-K890 WeakPolarHBondContact OD1-CE 3.05Å; D873-K890 IonicContact OD1-NZ 3.52Å; D873-K890 PolarHBondContact OD1-NZ 3.12Å; D873-K890 IonicContact OD2-NZ 3.84Å; D873-K890 PolarHBondContact OD2-NZ 3.11Å
874	N	58	Low	56.5	Low	66 Å²	66	95.4 Å²	95.4	35%	0.353	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.8	128.3	-173.1	-63.2	-48.3	0	0	0	111.6	S871	S871-N874 PolarHBondContact O-N 2.87Å
875	L	53.1	Low	56.4	Low	54 Å²	54	96.7 Å²	96.7	28%	0.283	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.7	115.8	166.6	-171.1	77.6	0	0	0	108.4	I877 S886 I887	L875-I877 HydrophobicContact CD2-CD1 4.01Å; L875-I877 HydrophobicContact CD2-CG1 4.16Å; L875-I877 HydrophobicContact CG-CG1 4.34Å; L875-S886 WeakPolarHBondContact O-CA 3.49Å; L875-I887 PolarHBondContact N-O 3.28Å; L875-I887 PolarHBondContact O-N 2.99Å
876	Q	57.8	Low	56.4	Low	96 Å²	96	97.4 Å²	97.4	45%	0.449	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	113.2	175.8	-68.3	-173.3	3.6	0	0	110.1	V884 M885	Q876-V884 HydrophobicContact CB-CG1 3.88Å; Q876-V884 HydrophobicContact CG-CG1 4.09Å; Q876-M885 WeakPolarHBondContact CA-O 3.1Å
877	I	57.1	Low	56.6	Low	80 Å²	80	94.3 Å²	94.3	41%	0.41	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	118.5	172.1	-57.1	170.2	0	0	0	107.7	L875 M885 I887	L875-I877 HydrophobicContact CD2-CD1 4.01Å; L875-I877 HydrophobicContact CD2-CG1 4.16Å; L875-I877 HydrophobicContact CG-CG1 4.34Å; I877-M885 PolarHBondContact N-O 2.95Å; I877-M885 PolarHBondContact O-N 3.47Å; I877-I887 HydrophobicContact CD1-CD1 4.29Å
878	S	54	Low	56.7	Low	97 Å²	97	92.8 Å²	92.8	68%	0.678	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.8	171.8	-59.9	0	0	0	0	109
879	L	58.8	Low	56.7	Low	81 Å²	81	90.1 Å²	90.1	42%	0.424	53%	0.531	S	S	.	.			trans	-79.8	152.1	173.3	-80.9	77.6	0	0	0	110.1	S881 G882 H883 M885	L879-S881 WeakPolarHBondContact CB-OG 3.3Å; L879-S881 PolarHBondContact O-N 2.86Å; L879-G882 PolarHBondContact O-N 2.96Å; L879-H883 PolarHBondContact N-O 2.83Å; L879-M885 HydrophobicContact CD1-CB 3.83Å
880	A	61.1	Low	56.8	Low	121 Å²	121	92.3 Å²	92.3	100%	1	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-13.8	172.8	0	0	0	0	0	113.9	G882	A880-G882 VanDerWaalsContact C-N 3.33Å
881	S	70.5	Confident	57	Low	80 Å²	80	90.9 Å²	90.9	56%	0.559	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	6.5	174.3	59.9	0	0	0	0	114.7	L879 H883	L879-S881 WeakPolarHBondContact CB-OG 3.3Å; L879-S881 PolarHBondContact O-N 2.86Å; S881-H883 PolarHBondContact O-N 3.21Å
882	G	62.1	Low	57	Low	71 Å²	71	91.9 Å²	91.9	73%	0.732	53%	0.534	S	S	*	.	S	Bend	trans	75.5	-0.8	-179.9	0	0	0	0	0	115.1	L879 A880	L879-G882 PolarHBondContact O-N 2.96Å; A880-G882 VanDerWaalsContact C-N 3.33Å
883	H	69.9	Low	56.6	Low	143 Å²	143	91.7 Å²	91.7	66%	0.662	53%	0.533	S	S	*	.			trans	-87.9	138.6	173.2	-78.3	67.2	0	0	0	110.9	L879 S881	L879-H883 PolarHBondContact N-O 2.83Å; S881-H883 PolarHBondContact O-N 3.21Å
884	V	62.6	Low	55.7	Low	83 Å²	83	98.9 Å²	98.9	50%	0.503	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.9	118.4	174.6	-177.2	0	0	0	0	108.4	Q876	Q876-V884 HydrophobicContact CB-CG1 3.88Å; Q876-V884 HydrophobicContact CG-CG1 4.09Å
885	M	54.9	Low	54.7	Low	111 Å²	111	100.4 Å²	100.4	55%	0.547	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	113.6	172.7	-167.9	178.3	-142.8	0	0	108.8	Q876 I877 L879 I887	Q876-M885 WeakPolarHBondContact CA-O 3.1Å; I877-M885 PolarHBondContact N-O 2.95Å; I877-M885 PolarHBondContact O-N 3.47Å; L879-M885 HydrophobicContact CD1-CB 3.83Å; M885-I887 HydrophobicContact CG-CG1 4.31Å
886	S	58.1	Low	53.8	Low	72 Å²	72	104.6 Å²	104.6	50%	0.503	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	112.7	173.6	58.4	0	0	0	0	110.1	L875 P888	L875-S886 WeakPolarHBondContact O-CA 3.49Å; S886-P888 WeakPolarHBondContact O-CD 3.28Å
887	I	58.1	Low	52.5	Low	57 Å²	57	104.2 Å²	104.2	29%	0.292	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	112.3	175.5	-56.1	172.9	0	0	0	108.4	L875 I877 M885 L889 L892	L875-I887 PolarHBondContact N-O 3.28Å; L875-I887 PolarHBondContact O-N 2.99Å; I877-I887 HydrophobicContact CD1-CD1 4.29Å; M885-I887 HydrophobicContact CG-CG1 4.31Å; I887-L889 PolarHBondContact O-N 2.74Å; I887-L892 HydrophobicContact CG2-CD1 4.43Å
888	P	55.9	Low	51.3	Low	71 Å²	71	109.4 Å²	109.4	46%	0.461	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.5	121.7	176.1	26.2	-30.9	0	0	0	110.4	S886 K890	S886-P888 WeakPolarHBondContact O-CD 3.28Å; P888-K890 VanDerWaalsContact C-N 3.31Å; P888-K890 PolarHBondContact O-N 2.94Å
889	L	55.2	Low	50.3	Low	64 Å²	64	112.7 Å²	112.7	34%	0.335	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-76.4	-13.8	-171.5	-75.7	161.7	0	0	0	113.9	D873 I887 T891 L892	D873-L889 PolarHBondContact O-N 3.13Å; I887-L889 PolarHBondContact O-N 2.74Å; L889-T891 PolarHBondContact O-N 3.17Å; L889-L892 PolarHBondContact O-N 3.18Å
890	K	50.3	Low	49	Very low	151 Å²	151	118.7 Å²	118.7	66%	0.657	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-64.8	-18.7	-179.1	-82.1	170.9	174.3	147.7	0	114.4	D873 P888	D873-K890 VanDerWaalsContact CG-NZ 3.28Å; D873-K890 VanDerWaalsContact OD1-CE 3.23Å; D873-K890 WeakPolarHBondContact OD1-CE 3.05Å; D873-K890 IonicContact OD1-NZ 3.52Å; D873-K890 PolarHBondContact OD1-NZ 3.12Å; D873-K890 IonicContact OD2-NZ 3.84Å; D873-K890 PolarHBondContact OD2-NZ 3.11Å; P888-K890 VanDerWaalsContact C-N 3.31Å; P888-K890 PolarHBondContact O-N 2.94Å
891	T	49.1	Very low	47.8	Very low	93 Å²	93	117.4 Å²	117.4	57%	0.571	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-92.8	-24.5	177.5	-42.2	0	0	0	0	112.6	L889 N893 R894	L889-T891 PolarHBondContact O-N 3.17Å; T891-N893 VanDerWaalsContact C-N 3.33Å; T891-N893 PolarHBondContact O-N 2.9Å; T891-R894 PolarHBondContact O-N 3.27Å
892	L	43.6	Very low	46.5	Very low	97 Å²	97	120.1 Å²	120.1	51%	0.508	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-71.1	-26.8	-176.9	-120.8	94	0	0	0	113.2	I887 L889 R894	I887-L892 HydrophobicContact CG2-CD1 4.43Å; L889-L892 PolarHBondContact O-N 3.18Å; L892-R894 VanDerWaalsContact C-N 3.26Å; L892-R894 PolarHBondContact O-N 2.99Å
893	N	42.1	Very low	45.8	Very low	159 Å²	159	124.6 Å²	124.6	85%	0.85	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-78.7	0.3	-179.3	-83.1	-4	0	0	0	114.6	T891	T891-N893 VanDerWaalsContact C-N 3.33Å; T891-N893 PolarHBondContact O-N 2.9Å
894	R	37.9	Very low	44.8	Very low	230 Å²	230	121.6 Å²	121.6	87%	0.868	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-123	-0.1	-177.1	-113.5	177.8	177.6	167.3	-0.7	115.9	T891 L892	T891-R894 PolarHBondContact O-N 3.27Å; L892-R894 VanDerWaalsContact C-N 3.26Å; L892-R894 PolarHBondContact O-N 2.99Å
895	T	35.4	Very low	44.7	Very low	98 Å²	98	120.7 Å²	120.7	60%	0.601	65%	0.646	S	S	*	*			trans	-127.7	19.8	-176.1	56.5	0	0	0	0	114.7	S897	T895-S897 PolarHBondContact O-N 3.41Å; T895-S897 VanDerWaalsContact O-N 3.11Å
896	V	35.5	Very low	44.7	Very low	141 Å²	141	122 Å²	122	86%	0.855	65%	0.651	S	S	*	*			trans	-87.7	67.4	167	-170.3	0	0	0	0	108.9
897	S	31	Very low	44.6	Very low	89 Å²	89	124.3 Å²	124.3	62%	0.622	65%	0.654	S	S	*	*			trans	-134.1	119.5	163.8	43.7	0	0	0	0	105.2	T895	T895-S897 PolarHBondContact O-N 3.41Å; T895-S897 VanDerWaalsContact O-N 3.11Å
898	E	32	Very low	44.7	Very low	188 Å²	188	124 Å²	124	88%	0.879	65%	0.654	S	S	*	*			trans	84.3	80.8	179.3	-51.7	-175.8	163.2	0	0	116.5
899	D	32.7	Very low	44.8	Very low	167 Å²	167	124.3 Å²	124.3	89%	0.893	66%	0.655	S	S	*	*				-158.2	122.9	123.2	-100.7	-24.4	0	0	0	110.8	A901	D899-A901 PolarHBondContact O-N 2.89Å; D899-A901 VanDerWaalsContact O-N 3.07Å
900	K	31.2	Very low	44.9	Very low	207 Å²	207	127.2 Å²	127.2	90%	0.9	66%	0.662	S	S	*	*			trans	-69.8	96	-176.7	-76.2	171.4	175.6	171.3	0	110.8	I902	K900-I902 PolarHBondContact O-N 2.02Å
901	A	36	Very low	45.6	Very low	94 Å²	94	122.2 Å²	122.2	78%	0.777	65%	0.645	S	S	*	*			trans	-80.5	105.5	160.3	0	0	0	0	0	109.1	D899 N903	D899-A901 PolarHBondContact O-N 2.89Å; D899-A901 VanDerWaalsContact O-N 3.07Å; A901-N903 PolarHBondContact O-N 3.2Å; A901-N903 VanDerWaalsContact O-N 3.11Å
902	I	42.2	Very low	46.4	Very low	137 Å²	137	120.5 Å²	120.5	70%	0.703	65%	0.647	S	S	*	*			trans	-65.5	108.9	169.7	-58.2	172.3	0	0	0	107	K900 L904	K900-I902 PolarHBondContact O-N 2.02Å; I902-L904 HydrophobicContact CG2-CG 4.03Å; I902-L904 PolarHBondContact O-N 3.21Å
903	N	47	Very low	47.1	Very low	165 Å²	165	120.7 Å²	120.7	88%	0.882	65%	0.648	S	S	*	*			trans	-69.8	84.4	170	-108.4	-21.5	0	0	0	108.8	A901 S905	A901-N903 PolarHBondContact O-N 3.2Å; A901-N903 VanDerWaalsContact O-N 3.11Å; N903-S905 PolarHBondContact O-N 3.16Å
904	L	50.5	Low	47.8	Very low	79 Å²	79	117.9 Å²	117.9	41%	0.414	63%	0.625	S	S	.	*			trans	-70.7	117.3	167	-77.3	152.6	0	0	0	107.5	I902 V908 T909 W914	I902-L904 HydrophobicContact CG2-CG 4.03Å; I902-L904 PolarHBondContact O-N 3.21Å; L904-V908 HydrophobicContact CD2-CB 4.05Å; L904-V908 HydrophobicContact CD2-CG1 3.39Å; L904-T909 HydrophobicContact CB-CG2 4.47Å; L904-W914 HydrophobicContact CD1-CZ2 4.47Å; L904-W914 HydrophobicContact CD2-CZ2 4.07Å
905	S	60.1	Low	48.8	Very low	64 Å²	64	114 Å²	114	45%	0.448	62%	0.615	S	S	.	*			trans	-58	143.3	169.5	57.9	0	0	0	0	109.3	N903 E907 V908 T909	N903-S905 PolarHBondContact O-N 3.16Å; S905-E907 PolarHBondContact O-N 2.78Å; S905-V908 WeakPolarHBondContact O-CB 3.28Å; S905-V908 PolarHBondContact O-N 2.03Å; S905-V908 VanDerWaalsContact OG-CG2 3.26Å; S905-V908 WeakPolarHBondContact OG-CG2 3.2Å; S905-T909 PolarHBondContact O-N 3.29Å
906	E	55.7	Low	50.1	Low	140 Å²	140	116 Å²	116	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-51.1	-28.8	174.5	-82.8	-174.5	128.2	0	0	111.7	V908 T909 R910	E906-V908 PolarHBondContact O-N 2.72Å; E906-T909 WeakPolarHBondContact CA-OG1 3.38Å; E906-T909 PolarHBondContact O-N 3.13Å; E906-T909 PolarHBondContact O-OG1 3.43Å; E906-R910 WeakPolarHBondContact O-CG 3.17Å; E906-R910 PolarHBondContact O-N 3.21Å
907	E	54.9	Low	51.3	Low	119 Å²	119	113.2 Å²	113.2	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-57.8	-42	172.9	-132.3	76.7	-150.8	0	0	113.2	S905 R910 S911	S905-E907 PolarHBondContact O-N 2.78Å; E907-R910 PolarHBondContact O-N 3.46Å; E907-S911 PolarHBondContact O-N 2.92Å
908	V	61	Low	52.7	Low	51 Å²	51	111 Å²	111	31%	0.309	58%	0.584	S	S	.	*	H	α-helix	trans	-71.4	-38.3	-178.2	175.9	0	0	0	0	110.3	L904 S905 E906 R910 S911 W914	L904-V908 HydrophobicContact CD2-CB 4.05Å; L904-V908 HydrophobicContact CD2-CG1 3.39Å; S905-V908 WeakPolarHBondContact O-CB 3.28Å; S905-V908 PolarHBondContact O-N 2.03Å; S905-V908 VanDerWaalsContact OG-CG2 3.26Å; S905-V908 WeakPolarHBondContact OG-CG2 3.2Å; E906-V908 PolarHBondContact O-N 2.72Å; V908-R910 PolarHBondContact O-N 2.96Å; V908-S911 PolarHBondContact O-N 3.33Å; V908-S911 PolarHBondContact O-OG 3.18Å; V908-W914 HydrophobicContact CG1-CG 4.21Å; V908-W914 WeakPolarHBondContact O-CB 3.14Å; V908-W914 VanDerWaalsContact O-CD1 3.24Å
909	T	57.6	Low	53.8	Low	77 Å²	77	105.5 Å²	105.5	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-66.6	-18.9	172.7	62.1	0	0	0	0	113.9	L904 S905 E906	L904-T909 HydrophobicContact CB-CG2 4.47Å; S905-T909 PolarHBondContact O-N 3.29Å; E906-T909 WeakPolarHBondContact CA-OG1 3.38Å; E906-T909 PolarHBondContact O-N 3.13Å; E906-T909 PolarHBondContact O-OG1 3.43Å
910	R	55.9	Low	54.6	Low	126 Å²	126	101.5 Å²	101.5	48%	0.475	55%	0.551	S	S	.	*	H	α-helix	trans	-92	-12.3	177.6	-76.8	-177.1	178.8	-171.1	5.8	114.6	H844 E906 E907 V908	H844-R910 PolarHBondContact CE1-NH1 2.85Å; H844-R910 PolarHBondContact NE2-NH1 2.86Å; E906-R910 WeakPolarHBondContact O-CG 3.17Å; E906-R910 PolarHBondContact O-N 3.21Å; E907-R910 PolarHBondContact O-N 3.46Å; V908-R910 PolarHBondContact O-N 2.96Å
911	S	65.9	Low	55.3	Low	45 Å²	45	95 Å²	95	32%	0.315	53%	0.531	S	S	.	.	S	Bend	trans	-64.1	137	177.7	71.1	0	0	0	0	111.1	E907 V908 L913 W914 K915	E907-S911 PolarHBondContact O-N 2.92Å; V908-S911 PolarHBondContact O-N 3.33Å; V908-S911 PolarHBondContact O-OG 3.18Å; S911-L913 PolarHBondContact O-N 3.4Å; S911-L913 VanDerWaalsContact O-N 3.16Å; S911-W914 PolarHBondContact O-N 2.87Å; S911-W914 VanDerWaalsContact O-N 3.13Å; S911-W914 WeakPolarHBondContact OG-CB 3.44Å; S911-W914 PolarHBondContact OG-N 3.23Å; S911-K915 PolarHBondContact O-N 3.48Å
912	G	65.1	Low	55.7	Low	58 Å²	58	97.3 Å²	97.3	60%	0.598	53%	0.531	S	S	*	.	H	α-helix	trans	-60.2	-24.2	178.1	0	0	0	0	0	113.2	H916	G912-H916 PolarHBondContact O-N 2.96Å
913	L	58.8	Low	55.5	Low	101 Å²	101	98.5 Å²	98.5	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-71.3	-42.1	175.7	-160.2	73	0	0	0	111.9	S911 K915 H916 I917	S911-L913 PolarHBondContact O-N 3.4Å; S911-L913 VanDerWaalsContact O-N 3.16Å; L913-K915 PolarHBondContact O-N 2.94Å; L913-H916 WeakPolarHBondContact O-CB 3.25Å; L913-H916 PolarHBondContact O-N 3Å; L913-H916 VanDerWaalsContact O-N 3.16Å; L913-I917 HydrophobicContact CG-CD1 4.28Å; L913-I917 WeakPolarHBondContact O-CG1 3.5Å; L913-I917 PolarHBondContact O-N 2.87Å
914	W	56.8	Low	54.8	Low	100 Å²	100	96.1 Å²	96.1	38%	0.379	53%	0.527	S	S	.	.	H	α-helix	trans	-67.9	-33.8	176.7	-107.3	103.9	0	0	0	113.4	L904 V908 S911 H916 I917 A918	L904-W914 HydrophobicContact CD1-CZ2 4.47Å; L904-W914 HydrophobicContact CD2-CZ2 4.07Å; V908-W914 HydrophobicContact CG1-CG 4.21Å; V908-W914 WeakPolarHBondContact O-CB 3.14Å; V908-W914 VanDerWaalsContact O-CD1 3.24Å; S911-W914 PolarHBondContact O-N 2.87Å; S911-W914 VanDerWaalsContact O-N 3.13Å; S911-W914 WeakPolarHBondContact OG-CB 3.44Å; S911-W914 PolarHBondContact OG-N 3.23Å; W914-H916 VanDerWaalsContact C-N 3.26Å; W914-H916 PolarHBondContact O-N 3.46Å; W914-I917 HydrophobicContact CE3-CB 4.32Å; W914-I917 HydrophobicContact CE3-CG2 4.24Å; W914-I917 HydrophobicContact CZ3-CG2 4.1Å; W914-I917 PolarHBondContact O-N 2.7Å; W914-A918 VanDerWaalsContact O-CB 3.26Å; W914-A918 WeakPolarHBondContact O-CB 3.43Å; W914-A918 PolarHBondContact O-N 3.23Å
915	K	58.7	Low	54.1	Low	149 Å²	149	102.6 Å²	102.6	65%	0.648	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-36.6	171.6	-75.3	-173.4	177.2	-178.5	0	111.8	S911 L913 S919	S911-K915 PolarHBondContact O-N 3.48Å; L913-K915 PolarHBondContact O-N 2.94Å; K915-S919 WeakPolarHBondContact O-CB 3.24Å; K915-S919 PolarHBondContact O-N 3.13Å; K915-S919 PolarHBondContact O-OG 3.26Å; K915-S919 VanDerWaalsContact O-OG 3.13Å
916	H	63.8	Low	52.8	Low	140 Å²	140	108.2 Å²	108.2	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-69.7	-37.9	175.8	-122.2	-67.2	0	0	0	112.5	G912 L913 W914 S919 S920	G912-H916 PolarHBondContact O-N 2.96Å; L913-H916 WeakPolarHBondContact O-CB 3.25Å; L913-H916 PolarHBondContact O-N 3Å; L913-H916 VanDerWaalsContact O-N 3.16Å; W914-H916 VanDerWaalsContact C-N 3.26Å; W914-H916 PolarHBondContact O-N 3.46Å; H916-S919 WeakPolarHBondContact CA-OG 3.28Å; H916-S919 PolarHBondContact O-OG 3.08Å; H916-S920 WeakPolarHBondContact O-CB 3.46Å; H916-S920 PolarHBondContact O-N 3.38Å; H916-S920 VanDerWaalsContact O-N 3.15Å
917	I	59.5	Low	51.9	Low	81 Å²	81	106.5 Å²	106.5	42%	0.415	57%	0.571	S	S	.	*	H	α-helix	trans	-71.2	-44.2	177.2	-66.5	164.9	0	0	0	110.8	L913 W914 S919 S920 S921	L913-I917 HydrophobicContact CG-CD1 4.28Å; L913-I917 WeakPolarHBondContact O-CG1 3.5Å; L913-I917 PolarHBondContact O-N 2.87Å; W914-I917 HydrophobicContact CE3-CB 4.32Å; W914-I917 HydrophobicContact CE3-CG2 4.24Å; W914-I917 HydrophobicContact CZ3-CG2 4.1Å; W914-I917 PolarHBondContact O-N 2.7Å; I917-S919 PolarHBondContact O-N 3.21Å; I917-S920 PolarHBondContact O-N 3.07Å; I917-S920 VanDerWaalsContact O-N 3.09Å; I917-S921 PolarHBondContact O-N 2.82Å; I917-S921 PolarHBondContact O-OG 3.07Å
918	A	61	Low	50.9	Low	44 Å²	44	112.1 Å²	112.1	36%	0.364	59%	0.587	S	S	.	*	H	α-helix	trans	-63.1	-39	176.3	0	0	0	0	0	112.1	W914 S920 S921	W914-A918 VanDerWaalsContact O-CB 3.26Å; W914-A918 WeakPolarHBondContact O-CB 3.43Å; W914-A918 PolarHBondContact O-N 3.23Å; A918-S920 VanDerWaalsContact C-N 3.27Å; A918-S920 PolarHBondContact O-N 3.44Å; A918-S921 WeakPolarHBondContact CA-OG 3.46Å; A918-S921 PolarHBondContact O-N 2.8Å; A918-S921 PolarHBondContact O-OG 2.97Å
919	S	55.1	Low	49.5	Very low	72 Å²	72	121.2 Å²	121.2	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-69.5	-24.2	173.9	64.1	0	0	0	0	113.5	K915 H916 I917	K915-S919 WeakPolarHBondContact O-CB 3.24Å; K915-S919 PolarHBondContact O-N 3.13Å; K915-S919 PolarHBondContact O-OG 3.26Å; K915-S919 VanDerWaalsContact O-OG 3.13Å; H916-S919 WeakPolarHBondContact CA-OG 3.28Å; H916-S919 PolarHBondContact O-OG 3.08Å; I917-S919 PolarHBondContact O-N 3.21Å
920	S	49.6	Very low	48.3	Very low	83 Å²	83	122.9 Å²	122.9	58%	0.58	63%	0.628	S	S	*	*	H	α-helix	trans	-86	-26.2	179.2	-152.7	0	0	0	0	112.1	H916 I917 A918	H916-S920 WeakPolarHBondContact O-CB 3.46Å; H916-S920 PolarHBondContact O-N 3.38Å; H916-S920 VanDerWaalsContact O-N 3.15Å; I917-S920 PolarHBondContact O-N 3.07Å; I917-S920 VanDerWaalsContact O-N 3.09Å; A918-S920 VanDerWaalsContact C-N 3.27Å; A918-S920 PolarHBondContact O-N 3.44Å
921	S	47	Very low	47.1	Very low	70 Å²	70	123.5 Å²	123.5	49%	0.49	65%	0.646	S	S	.	*	H	α-helix	trans	-73.5	-21.9	176.9	47.4	0	0	0	0	114.6	I917 A918 M923	I917-S921 PolarHBondContact O-N 2.82Å; I917-S921 PolarHBondContact O-OG 3.07Å; A918-S921 WeakPolarHBondContact CA-OG 3.46Å; A918-S921 PolarHBondContact O-N 2.8Å; A918-S921 PolarHBondContact O-OG 2.97Å; S921-M923 PolarHBondContact O-N 2.71Å
922	D	43.7	Very low	45.6	Very low	142 Å²	142	125.1 Å²	125.1	76%	0.759	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-4.7	177.5	-84	-26.3	0	0	0	114.1
923	M	36.9	Very low	43.9	Very low	162 Å²	162	134.7 Å²	134.7	80%	0.798	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	8	-179.6	-74.9	-88.4	82	0	0	115	S921	S921-M923 PolarHBondContact O-N 2.71Å
924	T	33.3	Very low	42.7	Very low	115 Å²	115	134.8 Å²	134.8	71%	0.706	70%	0.703	S	S	*	*			trans	-130.7	64.5	-174.3	56.3	0	0	0	0	114.7
925	K	35.5	Very low	41.3	Very low	215 Å²	215	138.6 Å²	138.6	94%	0.935	73%	0.728	S	S	*	*			trans	-91.8	102.8	155.1	-79.1	-178.9	179.2	174.8	0	109.2
926	H	33.6	Very low	40	Very low	183 Å²	183	137.8 Å²	137.8	85%	0.847	74%	0.739	S	S	*	*			trans	9.8	160.2	155.7	-82.9	-47.1	0	0	0	122.1
927	P	36.7	Very low	38.2	Very low	103 Å²	103	139.6 Å²	139.6	67%	0.669	75%	0.748	S	S	*	*			cis	-144.4	-179.4	5.3	27.8	-1.6	0	0	0	117.4
928	R	33.4	Very low	36.8	Very low	238 Å²	238	151.3 Å²	151.3	90%	0.898	79%	0.787	S	S	*	*			trans	106	109	152.4	-56.6	-170.4	-179.1	-176.6	0.7	118.3
929	R	31	Very low	35.6	Very low	242 Å²	242	156.7 Å²	156.7	91%	0.913	81%	0.808	S	S	*	*			trans	-78.1	156.1	159.2	-82.2	-175	176.6	-177.6	0.1	109.6
930	P	32.2	Very low	34.6	Very low	111 Å²	111	161.1 Å²	161.1	72%	0.721	82%	0.824	S	S	*	*				-150.8	154.8	80.7	37.5	-16.4	0	0	0	117.9
931	T	30.8	Very low	33.8	Very low	140 Å²	140	165.4 Å²	165.4	86%	0.859	84%	0.838	S	S	*	*			trans	52.9	116.3	142.6	57.6	0	0	0	0	121.2
932	G	34.7	Very low	33	Very low	79 Å²	79	171.1 Å²	171.1	81%	0.814	86%	0.858	S	S	*	*			trans	-175.9	107.4	160.1	0	0	0	0	0	112.3
933	R	29.1	Very low	32.3	Very low	258 Å²	258	172.9 Å²	172.9	97%	0.974	86%	0.864	S	S	*	*			trans	-56.9	135	169.4	-80.5	171.9	169.8	161.6	-4	110.6
934	A	35.1	Very low	32	Very low	103 Å²	103	173.6 Å²	173.6	85%	0.851	87%	0.869	S	S	*	*			trans	-156.4	118.1	144	0	0	0	0	0	110
935	M	26.9	Very low	31.9	Very low	181 Å²	181	177.8 Å²	177.8	89%	0.892	88%	0.881	S	S	*	*			trans	-75.4	139.1	168.4	-166.4	177.2	-164.9	0	0	107.9
936	C	31	Very low	31.7	Very low	131 Å²	131	174.9 Å²	174.9	89%	0.885	88%	0.876	S	S	*	*			trans	-168.4	133.7	144.2	-105.1	0	0	0	0	111.1
937	Q	26.1	Very low	31.5	Very low	178 Å²	178	174.3 Å²	174.3	83%	0.832	88%	0.879	S	S	*	*			trans	-64.2	144.9	-179.7	-68	157.9	-67.6	0	0	112.8
938	W	31	Very low	31	Very low	327 Å²	327	180.7 Å²	180.7	100%	1.239	90%	0.898	S	S	*	*				-146.2	0	109.7	-97.2	88.1	0	0	0	108.8

Retrieved 938 of 938 residues in 1571.2 ms (Link to these results)

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