A0A087Y8P9_POEFO Loading...

Elastin microfibril interfacer 2

AlphaFold DB , UniProt , Accession A0A087Y8P9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 939 aa.

						>A0A087Y8P9_POEFO|A0A087Y8P9
RNKNWCAYVVHKNVSCAVVGGTESFAQPEFLPCPPEQPNCVQQVIYQTHFRPTYKIGYKIVTELQWKCCPGYQGYDCKEVKLLQADRLPHTSSNSGYFPNPQGPNQRTEQQRNHPSTWEGQIRGQTVATAPESQERPQSEQHLQEEVQQLSQMVLDMQARMTDMASNLRLDFQEDASKMLATLLSNMKQPASARRGETESFQVQDFSFGQETTSMDEAMNKINQVTDDLESKSNILTDLVSRVDHHDEQIRLLLETSQIPPSTAQPAPTGGDADLRAYLDGKISALREELMEGMDVKMADLKNSCDYKILSVQEQCEGQEASYFSLTELMESKEEDLRNEIQDLKIKVSDLQKAQPGDPYSVLSRLQNLENRLNSTQSSLVAQCVSAGENLRNEQEEAIKDLKKTLDNKLASIQDQLLNQLAGTTTSFTFRSPNALLKDINSLKDSVNNLELKVNNLDRSCSGECKANLTALENLQKDFQSYKSTVDDIKTHLNVQMRDFEFMKDQLVSINNSIENSDLSDRLDRAEDSGLAKDGAMQEADDLLELPREQHHELRRRLDELGREVKAENDRCRETTRDMGEELASMDSRIVNVEALCSKLDPISISLLRIKEGLNRHITGLWSCVDQLNGTVQTHAQDIEGLRGQCQTLQNQILNIAKDIPTITYGSPGKEGVKSSPIGWRSQKSAIYLLRKQESGPRSGLIYSPFKSRASVGPVDGGSPRVSAESFRVSAVPAEPALQHLPVMETGEAGPPGEMTKGTDLNMMTVQGFAGAPAKATSTDSLKTSMPLNSGEKVSFSAGLTLPTFQEEAGIIRFNKVLVNDGGHYDPHTGIFTAPTDGRYLVTAVLVAQRGEKVEAVLSVSNGIIQMLDSAGFSSEVTAPPSPEQCGCSGSTSLSLVVSMKQGDRMGLMLTAGKLATSASLEILSSFSAVLLYSSPTKR
					

Structure Viewer

Loading PAE data...

(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	R	50.2	Low	76.3	Confident	241 Å²	241	97.8 Å²	97.8	91%	0.909	46%	0.464	S	S	*	.				0	143.4	0	-74.7	-180	173.5	174.1	-2	107.8
2	N	54.9	Low	76.7	Confident	85 Å²	85	96.8 Å²	96.8	46%	0.455	46%	0.456	S	S	.	.			trans	-77.1	155.5	-178.4	-67.5	-10.5	0	0	0	111.3	N4	N2-N4 PolarHBondContact O-N 3.48Å
3	K	67.9	Low	77.2	Confident	206 Å²	206	98.3 Å²	98.3	90%	0.896	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-3.7	-175.2	-64.2	-175.3	177	-177.1	0	115.3
4	N	81.7	Confident	77.6	Confident	36 Å²	36	95.9 Å²	95.9	19%	0.193	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7	-170.4	-53.5	6.8	0	0	0	113.2	N2 C69 Y72 C77	N2-N4 PolarHBondContact O-N 3.48Å; N4-C69 VanDerWaalsContact C-SG 3.53Å; N4-C69 PolarHBondContact O-N 2.03Å; N4-C69 PolarHBondContact O-SG 3.18Å; N4-Y72 HydrophobicContact CB-CD1 4.26Å; N4-Y72 HydrophobicContact CB-CD2 4.32Å; N4-Y72 HydrophobicContact CB-CG 4.1Å; N4-Y72 VanDerWaalsContact ND2-CD1 3.32Å; N4-Y72 WeakPolarHBondContact ND2-CD1 3.35Å; N4-Y72 VanDerWaalsContact ND2-CE1 3.28Å; N4-Y72 WeakPolarHBondContact ND2-CE1 3.2Å; N4-C77 HydrophobicContact CB-CB 4.21Å; N4-C77 WeakPolarHBondContact CB-O 3.43Å; N4-C77 PolarHBondContact ND2-O 3.22Å
5	W	83.6	Confident	77.9	Confident	88 Å²	88	95 Å²	95	33%	0.333	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.6	179.7	-75.4	83	0	0	0	110.3	W66 K67 C69 D76 C77	W5-W66 HydrophobicContact CB-CE3 4.19Å; W5-W66 HydrophobicContact CE3-CB 4Å; W5-W66 HydrophobicContact CZ3-CB 4.44Å; W5-K67 WeakPolarHBondContact CA-O 3.43Å; W5-C69 VanDerWaalsContact C-SG 3.58Å; W5-D76 PolarHBondContact NE1-O 2.88Å; W5-C77 HydrophobicContact CD2-CB 4.29Å; W5-C77 HydrophobicContact CG-CB 4.46Å; W5-C77 HydrophobicContact CZ2-CB 4.24Å; W5-C77 WeakPolarHBondContact CZ2-SG 3.49Å
6	C	86.9	Confident	77.9	Confident	42 Å²	42	92.3 Å²	92.3	28%	0.284	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.3	178.7	-80.4	0	0	0	0	110.1	Y8 W66 K67 C69	C6-Y8 HydrophobicContact CB-CD2 4.37Å; C6-Y8 HydrophobicContact CB-CE2 3.64Å; C6-Y8 WeakPolarHBondContact O-CD2 3.28Å; C6-W66 WeakPolarHBondContact O-CA 3.5Å; C6-K67 PolarHBondContact N-O 2.73Å; C6-K67 PolarHBondContact O-N 2.86Å; C6-C69 VanDerWaalsContact CA-SG 3.6Å; C6-C69 HydrophobicContact CB-CB 4.02Å; C6-C69 WeakPolarHBondContact CB-SG 3.36Å; C6-C69 PolarHBondContact N-SG 3.43Å; C6-C69 VanDerWaalsContact SG-CA 3.55Å; C6-C69 WeakPolarHBondContact SG-CB 3.38Å; C6-C69 CovalentContact SG-SG 2.04Å; C6-C69 PolarHBondContact SG-SG 3.46Å
7	A	83.9	Confident	77.9	Confident	49 Å²	49	91.5 Å²	91.5	41%	0.405	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126	173.2	0	0	0	0	0	109.6	L64 W66	A7-L64 HydrophobicContact CB-CD2 4.44Å; A7-W66 HydrophobicContact CB-CD2 4.14Å; A7-W66 HydrophobicContact CB-CE3 4.07Å; A7-W66 HydrophobicContact CB-CH2 3.88Å; A7-W66 HydrophobicContact CB-CZ2 3.92Å; A7-W66 HydrophobicContact CB-CZ3 3.95Å
8	Y	80.3	Confident	78.2	Confident	84 Å²	84	90 Å²	90	33%	0.329	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	174.1	-68	-94.6	0	0	0	108.9	C6 V10 Q65 K67 P70	C6-Y8 HydrophobicContact CB-CD2 4.37Å; C6-Y8 HydrophobicContact CB-CE2 3.64Å; C6-Y8 WeakPolarHBondContact O-CD2 3.28Å; Y8-V10 PolarHBondContact O-N 3.24Å; Y8-Q65 PolarHBondContact N-O 2.85Å; Y8-Q65 PolarHBondContact O-N 2.91Å; Y8-K67 HydrophobicContact CD2-CB 3.77Å; Y8-K67 HydrophobicContact CD2-CD 4.06Å; Y8-K67 HydrophobicContact CD2-CG 4.08Å; Y8-K67 HydrophobicContact CE2-CB 3.78Å; Y8-K67 HydrophobicContact CG-CD 4.43Å; Y8-P70 WeakPolarHBondContact OH-CD 3.06Å
9	V	85.5	Confident	78.4	Confident	89 Å²	89	90.6 Å²	90.6	54%	0.539	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.9	166.7	-178	0	0	0	0	107.2	T62 L64	V9-T62 HydrophobicContact CG1-CG2 3.86Å; V9-L64 HydrophobicContact CG2-CD2 3.83Å
10	V	84.4	Confident	78.1	Confident	27 Å²	27	87.1 Å²	87.1	16%	0.164	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.6	171.6	-62.2	0	0	0	0	109.4	Y8 E63 Q65	Y8-V10 PolarHBondContact O-N 3.24Å; V10-E63 HydrophobicContact CG2-CB 4.09Å; V10-E63 WeakPolarHBondContact CG2-O 3.45Å; V10-E63 PolarHBondContact N-O 3.28Å; V10-E63 PolarHBondContact O-N 2.96Å; V10-Q65 HydrophobicContact CG1-CB 3.93Å; V10-Q65 HydrophobicContact CG2-CB 3.81Å
11	H	80.4	Confident	78.2	Confident	129 Å²	129	84.8 Å²	84.8	60%	0.597	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.4	176	-65.2	-87.8	0	0	0	108.3	I60 V61 T62	H11-I60 HydrophobicContact CB-CG2 3.72Å; H11-V61 WeakPolarHBondContact CA-O 3.34Å; H11-T62 VanDerWaalsContact CE1-CG2 3.43Å; H11-T62 WeakPolarHBondContact CE1-CG2 3.47Å
12	K	81.2	Confident	79.5	Confident	86 Å²	86	78 Å²	78	37%	0.374	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.2	175	-66.6	-177.2	-175	171.7	0	109.7	I60 V61 E63	K12-I60 WeakPolarHBondContact O-CA 3.38Å; K12-V61 HydrophobicContact CB-CG2 4.21Å; K12-V61 PolarHBondContact N-O 3.01Å; K12-V61 WeakPolarHBondContact O-CG2 3.34Å; K12-V61 PolarHBondContact O-N 3.38Å; K12-E63 WeakPolarHBondContact CE-OE2 3.46Å; K12-E63 IonicContact NZ-OE1 2.72Å; K12-E63 PolarHBondContact NZ-OE1 2.96Å; K12-E63 IonicContact NZ-OE2 3.69Å; K12-E63 PolarHBondContact NZ-OE2 3.46Å
13	N	83.1	Confident	80.7	Confident	116 Å²	116	78 Å²	78	62%	0.62	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.3	169.8	-67	4.2	0	0	0	108.3
14	V	81.9	Confident	81.1	Confident	65 Å²	65	71.7 Å²	71.7	39%	0.394	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.3	169.2	-68.8	0	0	0	0	109.5	Y58 K59 V61	V14-Y58 WeakPolarHBondContact O-CA 3.41Å; V14-K59 HydrophobicContact CG2-CB 4.42Å; V14-K59 WeakPolarHBondContact CG2-O 3.35Å; V14-K59 PolarHBondContact N-O 3.48Å; V14-K59 PolarHBondContact O-N 3.44Å; V14-V61 HydrophobicContact CB-CG2 4.5Å; V14-V61 HydrophobicContact CG1-CG2 3.74Å; V14-V61 HydrophobicContact CG2-CB 4.47Å; V14-V61 HydrophobicContact CG2-CG1 3.69Å; V14-V61 HydrophobicContact CG2-CG2 3.98Å
15	S	83.4	Confident	80.8	Confident	82 Å²	82	73.5 Å²	73.5	57%	0.573	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.6	173.2	46.2	0	0	0	0	110.8	G57	S15-G57 CarbonylContact C-O 3.53Å; S15-G57 WeakPolarHBondContact CA-O 3.45Å
16	C	77.6	Confident	80.6	Confident	51 Å²	51	72.2 Å²	72.2	35%	0.345	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145	172.3	56	0	0	0	0	110.8	V18 G57	C16-V18 PolarHBondContact O-N 3.21Å; C16-G57 PolarHBondContact N-O 3.48Å; C16-G57 PolarHBondContact O-N 2.89Å
17	A	78.4	Confident	80	Confident	80 Å²	80	75.2 Å²	75.2	66%	0.661	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.8	170.2	0	0	0	0	0	109.3
18	V	82.3	Confident	79.3	Confident	64 Å²	64	75.6 Å²	75.6	39%	0.388	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.6	173.2	-61.4	0	0	0	0	109.4	C16 G20 Y54 K55	C16-V18 PolarHBondContact O-N 3.21Å; V18-G20 PolarHBondContact O-N 3.27Å; V18-Y54 CarbonylContact O-C 3.55Å; V18-Y54 WeakPolarHBondContact O-CA 3.5Å; V18-K55 WeakPolarHBondContact CG2-O 3.49Å; V18-K55 PolarHBondContact N-O 3.48Å; V18-K55 PolarHBondContact O-N 2.98Å
19	V	81.9	Confident	78.8	Confident	102 Å²	102	76.1 Å²	76.1	62%	0.618	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.7	178.7	-179.8	0	0	0	0	109	Y54	V19-Y54 HydrophobicContact CG2-CD1 4.27Å; V19-Y54 HydrophobicContact CG2-CE1 3.81Å
20	G	73	Confident	78.1	Confident	20 Å²	20	77.5 Å²	77.5	21%	0.206	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	1.6	-171.3	0	0	0	0	0	115.4	V18 T53 K55	V18-G20 PolarHBondContact O-N 3.27Å; G20-T53 VanDerWaalsContact C-OG1 3.32Å; G20-T53 PolarHBondContact N-O 2.99Å; G20-K55 PolarHBondContact O-NZ 3.07Å
21	G	79.4	Confident	77.3	Confident	38 Å²	38	79.9 Å²	79.9	39%	0.392	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117	175.2	-168.3	0	0	0	0	0	111.6	T53	G21-T53 PolarHBondContact N-OG1 2.91Å; G21-T53 PolarHBondContact O-N 3.4Å; G21-T53 PolarHBondContact O-OG1 3.42Å
22	T	78	Confident	76.6	Confident	100 Å²	100	79 Å²	79	61%	0.613	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.6	168.2	32.5	0	0	0	0	110.4	R51	T22-R51 CarbonylContact C-O 3.56Å; T22-R51 WeakPolarHBondContact CA-O 3.36Å
23	E	79.5	Confident	75.8	Confident	84 Å²	84	76.7 Å²	76.7	39%	0.393	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.4	174	176.4	-178	-137.6	0	0	109.1	F50 R51 T53	E23-F50 WeakPolarHBondContact O-CA 3.26Å; E23-R51 HydrophobicContact CB-CG 4.29Å; E23-R51 PolarHBondContact N-O 3.03Å; E23-R51 PolarHBondContact O-N 3.34Å; E23-R51 IonicContact OE1-NH2 3.13Å; E23-R51 IonicContact OE2-CZ 3.24Å; E23-R51 IonicContact OE2-NE 3.95Å; E23-R51 PolarHBondContact OE2-NE 3.01Å; E23-R51 IonicContact OE2-NH2 3.23Å; E23-R51 PolarHBondContact OE2-NH2 3.49Å; E23-T53 HydrophobicContact CB-CG2 3.52Å
24	S	76.4	Confident	75	Confident	74 Å²	74	74.7 Å²	74.7	52%	0.517	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.4	172	53.7	0	0	0	0	110.5	H49	S24-H49 CarbonylContact C-O 3.59Å; S24-H49 WeakPolarHBondContact CA-O 3.12Å
25	F	75.7	Confident	74	Confident	74 Å²	74	77.4 Å²	77.4	33%	0.325	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.6	169.2	67.7	-82.6	0	0	0	110.2	H49 R51	F25-H49 HydrophobicContact CD1-CB 4.32Å; F25-H49 HydrophobicContact CE1-CB 3.75Å; F25-H49 HydrophobicContact CE2-CB 4.03Å; F25-H49 HydrophobicContact CZ-CB 3.6Å; F25-H49 PolarHBondContact N-O 3.15Å; F25-H49 PolarHBondContact O-N 3.28Å; F25-R51 HydrophobicContact CD1-CG 4.13Å; F25-R51 HydrophobicContact CE1-CB 4.15Å; F25-R51 HydrophobicContact CE1-CG 4.07Å
26	A	78.4	Confident	73.1	Confident	60 Å²	60	80.9 Å²	80.9	50%	0.496	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125	177.6	0	0	0	0	0	109.8	Y46 Q47	A26-Y46 HydrophobicContact CB-CD1 4.35Å; A26-Q47 WeakPolarHBondContact CA-O 3.46Å
27	Q	75.3	Confident	72.1	Confident	106 Å²	106	84.9 Å²	84.9	50%	0.495	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.4	175.7	-174.1	166.4	-37.5	0	0	109.5	E29 Y46 Q47	Q27-E29 PolarHBondContact O-N 3.5Å; Q27-Y46 WeakPolarHBondContact O-CA 3.34Å; Q27-Q47 PolarHBondContact N-O 2.98Å; Q27-Q47 PolarHBondContact O-N 3.05Å
28	P	69.3	Low	71.2	Confident	56 Å²	56	86.5 Å²	86.5	36%	0.364	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.8	174.8	28.7	-32.4	0	0	0	110.5	F30 V44 Y46	P28-F30 HydrophobicContact CB-CE2 4.02Å; P28-F30 HydrophobicContact CB-CZ 4.36Å; P28-F30 HydrophobicContact CG-CE2 4.32Å; P28-V44 HydrophobicContact CB-CG1 3.46Å; P28-V44 VanDerWaalsContact CB-CG1 3.46Å; P28-Y46 HydrophobicContact CB-CD1 4.22Å; P28-Y46 HydrophobicContact CB-CE1 3.86Å; P28-Y46 HydrophobicContact CG-CE1 4.45Å
29	E	70.3	Confident	70	Confident	96 Å²	96	91 Å²	91	45%	0.449	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.5	170.4	-172.3	169	-147.7	0	0	108.8	Q27 I45 Q47	Q27-E29 PolarHBondContact O-N 3.5Å; E29-I45 PolarHBondContact N-O 2.89Å; E29-I45 PolarHBondContact O-N 3.15Å; E29-Q47 PolarHBondContact OE2-NE2 2.94Å
30	F	70.6	Confident	69.1	Low	118 Å²	118	88.1 Å²	88.1	52%	0.518	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.9	-174.9	-65.8	-99.5	0	0	0	109.1	P28 V44	P28-F30 HydrophobicContact CB-CE2 4.02Å; P28-F30 HydrophobicContact CB-CZ 4.36Å; P28-F30 HydrophobicContact CG-CE2 4.32Å; F30-V44 HydrophobicContact CD1-CG2 3.76Å; F30-V44 HydrophobicContact CE1-CG1 4.36Å; F30-V44 HydrophobicContact CE1-CG2 3.53Å; F30-V44 HydrophobicContact CZ-CG1 4.37Å; F30-V44 HydrophobicContact CZ-CG2 4.28Å
31	L	68.1	Low	68.4	Low	76 Å²	76	93.6 Å²	93.6	40%	0.398	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-69.7	133.2	177.1	-71.6	-178.8	0	0	0	110.8	Q43 I45	L31-Q43 PolarHBondContact N-O 3.16Å; L31-I45 HydrophobicContact CD1-CD1 3.58Å; L31-I45 HydrophobicContact CD1-CG1 4.37Å; L31-I45 HydrophobicContact CG-CD1 4.12Å
32	P	64.4	Low	67.5	Low	111 Å²	111	97.3 Å²	97.3	72%	0.721	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-68.9	143.8	174.3	29.1	-34	0	0	0	110.9
33	C	64.1	Low	66.8	Low	37 Å²	37	99.3 Å²	99.3	25%	0.25	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-64.8	143.2	176.1	-63	0	0	0	0	111.5	C40	C33-C40 VanDerWaalsContact CA-SG 3.51Å; C33-C40 HydrophobicContact CB-CB 3.77Å; C33-C40 WeakPolarHBondContact CB-SG 3.16Å; C33-C40 WeakPolarHBondContact SG-CB 3.36Å; C33-C40 CovalentContact SG-SG 2.03Å; C33-C40 PolarHBondContact SG-SG 3.29Å
34	P	67.7	Low	66.3	Low	74 Å²	74	97.9 Å²	97.9	48%	0.481	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-55.8	145.4	168.7	-25.1	34.9	0	0	0	112	E36 Q37	P34-E36 PolarHBondContact O-N 2.9Å; P34-E36 VanDerWaalsContact O-N 3.09Å; P34-Q37 PolarHBondContact O-N 2.95Å
35	P	59.5	Low	65.9	Low	122 Å²	122	98.3 Å²	98.3	79%	0.792	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.6	-172.5	26.4	-34.7	0	0	0	113.9	Q37	P35-Q37 VanDerWaalsContact C-N 3.3Å; P35-Q37 PolarHBondContact O-N 3.42Å
36	E	64.8	Low	65.9	Low	156 Å²	156	102 Å²	102	73%	0.729	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-18.7	174.9	-56.6	89.4	-138.9	0	0	114	P34	P34-E36 PolarHBondContact O-N 2.9Å; P34-E36 VanDerWaalsContact O-N 3.09Å
37	Q	57.9	Low	65.7	Low	135 Å²	135	103.3 Å²	103.3	63%	0.631	55%	0.546	S	S	*	.			trans	-139.2	87.9	-175.8	-65.5	-167.8	25.6	0	0	112.8	P34 P35 N39 C40	P34-Q37 PolarHBondContact O-N 2.95Å; P35-Q37 VanDerWaalsContact C-N 3.3Å; P35-Q37 PolarHBondContact O-N 3.42Å; Q37-N39 PolarHBondContact O-N 3.29Å; Q37-N39 VanDerWaalsContact O-N 3.15Å; Q37-C40 PolarHBondContact O-N 3.15Å
38	P	58.2	Low	65.5	Low	113 Å²	113	102 Å²	102	73%	0.734	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.1	-175.8	27.5	-35.7	0	0	0	115.1
39	N	57.2	Low	65.8	Low	159 Å²	159	102.1 Å²	102.1	85%	0.85	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	38.3	179.3	-69	-16	0	0	0	112	Q37	Q37-N39 PolarHBondContact O-N 3.29Å; Q37-N39 VanDerWaalsContact O-N 3.15Å
40	C	63.3	Low	66.2	Low	42 Å²	42	104.1 Å²	104.1	28%	0.284	55%	0.549	S	S	.	.			trans	-71.7	152.1	175.4	95.4	0	0	0	0	111.7	C33 Q37 Q42	C33-C40 VanDerWaalsContact CA-SG 3.51Å; C33-C40 HydrophobicContact CB-CB 3.77Å; C33-C40 WeakPolarHBondContact CB-SG 3.16Å; C33-C40 WeakPolarHBondContact SG-CB 3.36Å; C33-C40 CovalentContact SG-SG 2.03Å; C33-C40 PolarHBondContact SG-SG 3.29Å; Q37-C40 PolarHBondContact O-N 3.15Å; C40-Q42 PolarHBondContact O-N 3.11Å
41	V	58.8	Low	66.5	Low	135 Å²	135	104.7 Å²	104.7	82%	0.818	55%	0.548	S	S	*	.			trans	-74.5	108.8	169.9	-179.6	0	0	0	0	107.7	Q43	V41-Q43 PolarHBondContact O-N 3.46Å; V41-Q43 VanDerWaalsContact O-N 3.16Å
42	Q	61.3	Low	66.7	Low	116 Å²	116	104.5 Å²	104.5	54%	0.542	55%	0.551	S	S	.	*			trans	-55.7	119.6	-178.6	-74.5	-178.4	-37.2	0	0	111.1	C40	C40-Q42 PolarHBondContact O-N 3.11Å
43	Q	62.3	Low	67.2	Low	141 Å²	141	101 Å²	101	66%	0.659	53%	0.528	S	S	*	.			trans	-80.4	122.6	172.9	-69.1	-175.1	-9.1	0	0	109.2	L31 V41	L31-Q43 PolarHBondContact N-O 3.16Å; V41-Q43 PolarHBondContact O-N 3.46Å; V41-Q43 VanDerWaalsContact O-N 3.16Å
44	V	68.1	Low	68	Low	54 Å²	54	106.3 Å²	106.3	33%	0.327	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.1	175.5	-170.9	0	0	0	0	108.3	P28 F30 Y46	P28-V44 HydrophobicContact CB-CG1 3.46Å; P28-V44 VanDerWaalsContact CB-CG1 3.46Å; F30-V44 HydrophobicContact CD1-CG2 3.76Å; F30-V44 HydrophobicContact CE1-CG1 4.36Å; F30-V44 HydrophobicContact CE1-CG2 3.53Å; F30-V44 HydrophobicContact CZ-CG1 4.37Å; F30-V44 HydrophobicContact CZ-CG2 4.28Å; V44-Y46 HydrophobicContact CB-CE2 4.32Å; V44-Y46 HydrophobicContact CG1-CD2 4.32Å; V44-Y46 HydrophobicContact CG1-CE2 3.8Å
45	I	70	Confident	68.7	Low	84 Å²	84	109 Å²	109	43%	0.431	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.8	173.3	-61.3	-175.5	0	0	0	107.8	E29 L31 Q47	E29-I45 PolarHBondContact N-O 2.89Å; E29-I45 PolarHBondContact O-N 3.15Å; L31-I45 HydrophobicContact CD1-CD1 3.58Å; L31-I45 HydrophobicContact CD1-CG1 4.37Å; L31-I45 HydrophobicContact CG-CD1 4.12Å; I45-Q47 PolarHBondContact O-N 3.4Å
46	Y	74.6	Confident	69.8	Low	150 Å²	150	108.8 Å²	108.8	59%	0.588	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	95.2	178.5	-74	-91.1	0	0	0	109.9	A26 Q27 P28 V44	A26-Y46 HydrophobicContact CB-CD1 4.35Å; Q27-Y46 WeakPolarHBondContact O-CA 3.34Å; P28-Y46 HydrophobicContact CB-CD1 4.22Å; P28-Y46 HydrophobicContact CB-CE1 3.86Å; P28-Y46 HydrophobicContact CG-CE1 4.45Å; V44-Y46 HydrophobicContact CB-CE2 4.32Å; V44-Y46 HydrophobicContact CG1-CD2 4.32Å; V44-Y46 HydrophobicContact CG1-CE2 3.8Å
47	Q	73.4	Confident	70.5	Confident	88 Å²	88	102.2 Å²	102.2	41%	0.411	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.5	177.8	-164	173.1	113.3	0	0	109.6	A26 Q27 E29 I45 H49	A26-Q47 WeakPolarHBondContact CA-O 3.46Å; Q27-Q47 PolarHBondContact N-O 2.98Å; Q27-Q47 PolarHBondContact O-N 3.05Å; E29-Q47 PolarHBondContact OE2-NE2 2.94Å; I45-Q47 PolarHBondContact O-N 3.4Å; Q47-H49 PolarHBondContact O-CD2 3.27Å; Q47-H49 PolarHBondContact OE1-CE1 3.1Å; Q47-H49 PolarHBondContact OE1-NE2 2.86Å
48	T	71.3	Confident	71.6	Confident	78 Å²	78	103.5 Å²	103.5	48%	0.479	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.9	-179.6	-58	0	0	0	0	110.5	F50	T48-F50 HydrophobicContact CG2-CE2 4Å; T48-F50 HydrophobicContact CG2-CZ 4.04Å
49	H	75.4	Confident	72.5	Confident	60 Å²	60	104.7 Å²	104.7	28%	0.278	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.8	175.8	-58.6	-88.6	0	0	0	110.6	S24 F25 Q47	S24-H49 CarbonylContact C-O 3.59Å; S24-H49 WeakPolarHBondContact CA-O 3.12Å; F25-H49 HydrophobicContact CD1-CB 4.32Å; F25-H49 HydrophobicContact CE1-CB 3.75Å; F25-H49 HydrophobicContact CE2-CB 4.03Å; F25-H49 HydrophobicContact CZ-CB 3.6Å; F25-H49 PolarHBondContact N-O 3.15Å; F25-H49 PolarHBondContact O-N 3.28Å; Q47-H49 PolarHBondContact O-CD2 3.27Å; Q47-H49 PolarHBondContact OE1-CE1 3.1Å; Q47-H49 PolarHBondContact OE1-NE2 2.86Å
50	F	80.3	Confident	73.7	Confident	138 Å²	138	102.1 Å²	102.1	61%	0.605	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	125	179.4	-64.7	-95.6	0	0	0	110.1	E23 T48	E23-F50 WeakPolarHBondContact O-CA 3.26Å; T48-F50 HydrophobicContact CG2-CE2 4Å; T48-F50 HydrophobicContact CG2-CZ 4.04Å
51	R	76.1	Confident	74.5	Confident	130 Å²	130	102.7 Å²	102.7	49%	0.491	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.3	174.1	63.6	-175.9	-174.6	-170.4	-0.1	111.5	T22 E23 F25 T53	T22-R51 CarbonylContact C-O 3.56Å; T22-R51 WeakPolarHBondContact CA-O 3.36Å; E23-R51 HydrophobicContact CB-CG 4.29Å; E23-R51 PolarHBondContact N-O 3.03Å; E23-R51 PolarHBondContact O-N 3.34Å; E23-R51 IonicContact OE1-NH2 3.13Å; E23-R51 IonicContact OE2-CZ 3.24Å; E23-R51 IonicContact OE2-NE 3.95Å; E23-R51 PolarHBondContact OE2-NE 3.01Å; E23-R51 IonicContact OE2-NH2 3.23Å; E23-R51 PolarHBondContact OE2-NH2 3.49Å; F25-R51 HydrophobicContact CD1-CG 4.13Å; F25-R51 HydrophobicContact CE1-CB 4.15Å; F25-R51 HydrophobicContact CE1-CG 4.07Å; R51-T53 PolarHBondContact O-N 3.4Å
52	P	72	Confident	75.6	Confident	72 Å²	72	101 Å²	101	47%	0.468	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.2	173.8	28.4	-33.3	0	0	0	110.1	Y54	P52-Y54 HydrophobicContact CB-CE2 4.1Å; P52-Y54 HydrophobicContact CG-CE2 4.16Å
53	T	75.5	Confident	76.4	Confident	38 Å²	38	99.5 Å²	99.5	23%	0.233	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	151.4	169.6	68	0	0	0	0	109.9	G20 G21 E23 R51	G20-T53 VanDerWaalsContact C-OG1 3.32Å; G20-T53 PolarHBondContact N-O 2.99Å; G21-T53 PolarHBondContact N-OG1 2.91Å; G21-T53 PolarHBondContact O-N 3.4Å; G21-T53 PolarHBondContact O-OG1 3.42Å; E23-T53 HydrophobicContact CB-CG2 3.52Å; R51-T53 PolarHBondContact O-N 3.4Å
54	Y	80.7	Confident	77.5	Confident	147 Å²	147	97.9 Å²	97.9	58%	0.576	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.1	175.3	-63.4	-92.3	0	0	0	109.5	V18 V19 P52	V18-Y54 CarbonylContact O-C 3.55Å; V18-Y54 WeakPolarHBondContact O-CA 3.5Å; V19-Y54 HydrophobicContact CG2-CD1 4.27Å; V19-Y54 HydrophobicContact CG2-CE1 3.81Å; P52-Y54 HydrophobicContact CB-CE2 4.1Å; P52-Y54 HydrophobicContact CG-CE2 4.16Å
55	K	81.6	Confident	78.2	Confident	130 Å²	130	99.3 Å²	99.3	57%	0.565	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.4	177	-69.9	170.6	-177	159.1	0	108.6	V18 G20 G57	V18-K55 WeakPolarHBondContact CG2-O 3.49Å; V18-K55 PolarHBondContact N-O 3.48Å; V18-K55 PolarHBondContact O-N 2.98Å; G20-K55 PolarHBondContact O-NZ 3.07Å; K55-G57 PolarHBondContact O-N 3.19Å
56	I	83.2	Confident	78.9	Confident	118 Å²	118	100.7 Å²	100.7	61%	0.605	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.1	175.8	-62.2	174.2	0	0	0	108.3	Y58	I56-Y58 HydrophobicContact CG2-CE1 4.4Å; I56-Y58 HydrophobicContact CG2-CE2 4.32Å
57	G	79.1	Confident	79.4	Confident	18 Å²	18	97.9 Å²	97.9	19%	0.186	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	168.7	164	0	0	0	0	0	110.8	S15 C16 K55	S15-G57 CarbonylContact C-O 3.53Å; S15-G57 WeakPolarHBondContact CA-O 3.45Å; C16-G57 PolarHBondContact N-O 3.48Å; C16-G57 PolarHBondContact O-N 2.89Å; K55-G57 PolarHBondContact O-N 3.19Å
58	Y	81.2	Confident	80.1	Confident	162 Å²	162	95.1 Å²	95.1	64%	0.635	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.4	174.1	-64.5	-85.6	0	0	0	109.9	V14 I56	V14-Y58 WeakPolarHBondContact O-CA 3.41Å; I56-Y58 HydrophobicContact CG2-CE1 4.4Å; I56-Y58 HydrophobicContact CG2-CE2 4.32Å
59	K	77.7	Confident	80.8	Confident	138 Å²	138	92.3 Å²	92.3	60%	0.6	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.7	173.7	-175.6	172.8	-179.3	177.7	0	109.6	V14	V14-K59 HydrophobicContact CG2-CB 4.42Å; V14-K59 WeakPolarHBondContact CG2-O 3.35Å; V14-K59 PolarHBondContact N-O 3.48Å; V14-K59 PolarHBondContact O-N 3.44Å
60	I	81.9	Confident	81.2	Confident	106 Å²	106	94.6 Å²	94.6	54%	0.544	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.7	170.1	-55	174.4	0	0	0	108.4	H11 K12	H11-I60 HydrophobicContact CB-CG2 3.72Å; K12-I60 WeakPolarHBondContact O-CA 3.38Å
61	V	79.6	Confident	81.2	Confident	53 Å²	53	90 Å²	90	32%	0.321	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.7	167.9	-67.7	0	0	0	0	110.2	H11 K12 V14	H11-V61 WeakPolarHBondContact CA-O 3.34Å; K12-V61 HydrophobicContact CB-CG2 4.21Å; K12-V61 PolarHBondContact N-O 3.01Å; K12-V61 WeakPolarHBondContact O-CG2 3.34Å; K12-V61 PolarHBondContact O-N 3.38Å; V14-V61 HydrophobicContact CB-CG2 4.5Å; V14-V61 HydrophobicContact CG1-CG2 3.74Å; V14-V61 HydrophobicContact CG2-CB 4.47Å; V14-V61 HydrophobicContact CG2-CG1 3.69Å; V14-V61 HydrophobicContact CG2-CG2 3.98Å
62	T	82.3	Confident	81.5	Confident	99 Å²	99	88.1 Å²	88.1	61%	0.607	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.8	174.5	36.7	0	0	0	0	110.3	V9 H11	V9-T62 HydrophobicContact CG1-CG2 3.86Å; H11-T62 VanDerWaalsContact CE1-CG2 3.43Å; H11-T62 WeakPolarHBondContact CE1-CG2 3.47Å
63	E	79.3	Confident	81.9	Confident	86 Å²	86	88.3 Å²	88.3	40%	0.402	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.6	176.3	-170.2	-175.7	117.1	0	0	109.6	V10 K12 Q65	V10-E63 HydrophobicContact CG2-CB 4.09Å; V10-E63 WeakPolarHBondContact CG2-O 3.45Å; V10-E63 PolarHBondContact N-O 3.28Å; V10-E63 PolarHBondContact O-N 2.96Å; K12-E63 WeakPolarHBondContact CE-OE2 3.46Å; K12-E63 IonicContact NZ-OE1 2.72Å; K12-E63 PolarHBondContact NZ-OE1 2.96Å; K12-E63 IonicContact NZ-OE2 3.69Å; K12-E63 PolarHBondContact NZ-OE2 3.46Å; E63-Q65 PolarHBondContact O-N 3.31Å
64	L	84.8	Confident	82	Confident	107 Å²	107	87.8 Å²	87.8	56%	0.56	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	93.8	177	-71.2	172.1	0	0	0	110.5	A7 V9	A7-L64 HydrophobicContact CB-CD2 4.44Å; V9-L64 HydrophobicContact CG2-CD2 3.83Å
65	Q	83.1	Confident	81.7	Confident	83 Å²	83	92 Å²	92	39%	0.388	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.5	174.6	-167.5	177.3	31.2	0	0	110.2	Y8 V10 E63 K67	Y8-Q65 PolarHBondContact N-O 2.85Å; Y8-Q65 PolarHBondContact O-N 2.91Å; V10-Q65 HydrophobicContact CG1-CB 3.93Å; V10-Q65 HydrophobicContact CG2-CB 3.81Å; E63-Q65 PolarHBondContact O-N 3.31Å; Q65-K67 HydrophobicContact CG-CG 4.41Å; Q65-K67 VanDerWaalsContact OE1-NZ 3.08Å
66	W	84.4	Confident	81.6	Confident	114 Å²	114	88.5 Å²	88.5	43%	0.432	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	174.6	-65.8	81.6	0	0	0	110.2	W5 C6 A7	W5-W66 HydrophobicContact CB-CE3 4.19Å; W5-W66 HydrophobicContact CE3-CB 4Å; W5-W66 HydrophobicContact CZ3-CB 4.44Å; C6-W66 WeakPolarHBondContact O-CA 3.5Å; A7-W66 HydrophobicContact CB-CD2 4.14Å; A7-W66 HydrophobicContact CB-CE3 4.07Å; A7-W66 HydrophobicContact CB-CH2 3.88Å; A7-W66 HydrophobicContact CB-CZ2 3.92Å; A7-W66 HydrophobicContact CB-CZ3 3.95Å
67	K	85.6	Confident	81.6	Confident	90 Å²	90	82.9 Å²	82.9	39%	0.391	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.9	176.3	-59.8	176.7	-178.3	170.1	0	109.3	W5 C6 Y8 Q65 C69	W5-K67 WeakPolarHBondContact CA-O 3.43Å; C6-K67 PolarHBondContact N-O 2.73Å; C6-K67 PolarHBondContact O-N 2.86Å; Y8-K67 HydrophobicContact CD2-CB 3.77Å; Y8-K67 HydrophobicContact CD2-CD 4.06Å; Y8-K67 HydrophobicContact CD2-CG 4.08Å; Y8-K67 HydrophobicContact CE2-CB 3.78Å; Y8-K67 HydrophobicContact CG-CD 4.43Å; Q65-K67 HydrophobicContact CG-CG 4.41Å; Q65-K67 VanDerWaalsContact OE1-NZ 3.08Å; K67-C69 PolarHBondContact O-N 2.85Å
68	C	86.3	Confident	81.5	Confident	30 Å²	30	88 Å²	88	20%	0.203	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.8	169.4	-50.6	0	0	0	0	110.3	Y72 C77	C68-Y72 VanDerWaalsContact CB-O 3.23Å; C68-Y72 WeakPolarHBondContact CB-O 3.47Å; C68-C77 WeakPolarHBondContact CA-SG 3.41Å; C68-C77 HydrophobicContact CB-CB 3.64Å; C68-C77 WeakPolarHBondContact CB-SG 3.42Å; C68-C77 PolarHBondContact N-SG 3.06Å; C68-C77 VanDerWaalsContact N-SG 3.37Å; C68-C77 WeakPolarHBondContact SG-CA 3.02Å; C68-C77 WeakPolarHBondContact SG-CB 3.36Å; C68-C77 CovalentContact SG-SG 2.04Å; C68-C77 PolarHBondContact SG-SG 2.77Å
69	C	86.6	Confident	81.4	Confident	20 Å²	20	85 Å²	85	14%	0.135	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-62	157	171.4	-65	0	0	0	0	110.8	N4 W5 C6 K67 G71 Y72	N4-C69 VanDerWaalsContact C-SG 3.53Å; N4-C69 PolarHBondContact O-N 2.03Å; N4-C69 PolarHBondContact O-SG 3.18Å; W5-C69 VanDerWaalsContact C-SG 3.58Å; C6-C69 VanDerWaalsContact CA-SG 3.6Å; C6-C69 HydrophobicContact CB-CB 4.02Å; C6-C69 WeakPolarHBondContact CB-SG 3.36Å; C6-C69 PolarHBondContact N-SG 3.43Å; C6-C69 VanDerWaalsContact SG-CA 3.55Å; C6-C69 WeakPolarHBondContact SG-CB 3.38Å; C6-C69 CovalentContact SG-SG 2.04Å; C6-C69 PolarHBondContact SG-SG 3.46Å; K67-C69 PolarHBondContact O-N 2.85Å; C69-G71 PolarHBondContact O-N 3.05Å; C69-Y72 HydrophobicContact CB-CD2 4.35Å; C69-Y72 PolarHBondContact O-N 2.66Å
70	P	83.7	Confident	81.1	Confident	107 Å²	107	83 Å²	83	70%	0.695	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	135.7	178	-24.9	35.8	0	0	0	111.5	Y8	Y8-P70 WeakPolarHBondContact OH-CD 3.06Å
71	G	79.9	Confident	80.5	Confident	42 Å²	42	83.7 Å²	83.7	43%	0.433	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-6.2	-172.8	0	0	0	0	0	115.3	C69 K81	C69-G71 PolarHBondContact O-N 3.05Å; G71-K81 PolarHBondContact O-N 3.09Å
72	Y	82.3	Confident	79.1	Confident	90 Å²	90	88.4 Å²	88.4	35%	0.353	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.3	176.1	-62.9	-86.6	0	0	0	112.9	N4 C68 C69 E79 V80	N4-Y72 HydrophobicContact CB-CD1 4.26Å; N4-Y72 HydrophobicContact CB-CD2 4.32Å; N4-Y72 HydrophobicContact CB-CG 4.1Å; N4-Y72 VanDerWaalsContact ND2-CD1 3.32Å; N4-Y72 WeakPolarHBondContact ND2-CD1 3.35Å; N4-Y72 VanDerWaalsContact ND2-CE1 3.28Å; N4-Y72 WeakPolarHBondContact ND2-CE1 3.2Å; C68-Y72 VanDerWaalsContact CB-O 3.23Å; C68-Y72 WeakPolarHBondContact CB-O 3.47Å; C69-Y72 HydrophobicContact CB-CD2 4.35Å; C69-Y72 PolarHBondContact O-N 2.66Å; Y72-E79 CarbonylContact C-O 3.58Å; Y72-E79 VanDerWaalsContact CA-O 3.25Å; Y72-E79 WeakPolarHBondContact CA-O 3.42Å; Y72-V80 HydrophobicContact CD1-CG2 4.23Å; Y72-V80 HydrophobicContact CE1-CG2 3.85Å
73	Q	81.8	Confident	77.6	Confident	76 Å²	76	92 Å²	92	36%	0.355	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-168.3	176.6	65.6	176.6	36.4	0	0	111.5	C77 E79 K81	Q73-C77 CarbonylContact O-C 3.51Å; Q73-C77 VanDerWaalsContact O-CA 3.29Å; Q73-C77 WeakPolarHBondContact O-CA 3.3Å; Q73-E79 HydrophobicContact CG-CB 3.87Å; Q73-E79 PolarHBondContact N-O 2.76Å; Q73-E79 PolarHBondContact NE2-OE2 3.07Å; Q73-E79 WeakPolarHBondContact O-CB 3.37Å; Q73-E79 PolarHBondContact O-N 3.42Å; Q73-K81 HydrophobicContact CG-CB 4.26Å; Q73-K81 VanDerWaalsContact OE1-CD 3.31Å
74	G	77.2	Confident	75.8	Confident	27 Å²	27	96.8 Å²	96.8	28%	0.278	48%	0.483	S	S	.	.	S	Bend	trans	84.5	161.7	-173.9	0	0	0	0	0	112.9	D76 C77 E79	G74-D76 PolarHBondContact O-N 3.11Å; G74-D76 VanDerWaalsContact O-N 3.16Å; G74-C77 PolarHBondContact O-N 2.82Å; G74-E79 WeakPolarHBondContact CA-OE1 3.46Å
75	Y	74.3	Confident	73.6	Confident	235 Å²	235	96 Å²	96	92%	0.922	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.2	-174.5	-178.9	-100	0	0	0	113.9
76	D	79.6	Confident	71.4	Confident	57 Å²	57	99.2 Å²	99.2	31%	0.305	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	3.6	179.2	71.9	-2.4	0	0	0	114.5	W5 G74 K78	W5-D76 PolarHBondContact NE1-O 2.88Å; G74-D76 PolarHBondContact O-N 3.11Å; G74-D76 VanDerWaalsContact O-N 3.16Å; D76-K78 VanDerWaalsContact C-N 3.35Å; D76-K78 PolarHBondContact O-N 2.68Å; D76-K78 WeakPolarHBondContact OD1-CB 3.32Å; D76-K78 WeakPolarHBondContact OD1-CG 3.45Å; D76-K78 PolarHBondContact OD1-N 3.37Å; D76-K78 WeakPolarHBondContact OD2-CD 3.46Å; D76-K78 WeakPolarHBondContact OD2-CE 3.31Å; D76-K78 IonicContact OD2-NZ 3.58Å; D76-K78 PolarHBondContact OD2-NZ 3.02Å
77	C	82.1	Confident	68.8	Low	1 Å²	1	105.4 Å²	105.4	1%	0.007	54%	0.535	C	S	.	.	S	Bend	trans	59.4	30.3	-175.2	-54.7	0	0	0	0	115.9	N4 W5 C68 Q73 G74	N4-C77 HydrophobicContact CB-CB 4.21Å; N4-C77 WeakPolarHBondContact CB-O 3.43Å; N4-C77 PolarHBondContact ND2-O 3.22Å; W5-C77 HydrophobicContact CD2-CB 4.29Å; W5-C77 HydrophobicContact CG-CB 4.46Å; W5-C77 HydrophobicContact CZ2-CB 4.24Å; W5-C77 WeakPolarHBondContact CZ2-SG 3.49Å; C68-C77 WeakPolarHBondContact CA-SG 3.41Å; C68-C77 HydrophobicContact CB-CB 3.64Å; C68-C77 WeakPolarHBondContact CB-SG 3.42Å; C68-C77 PolarHBondContact N-SG 3.06Å; C68-C77 VanDerWaalsContact N-SG 3.37Å; C68-C77 WeakPolarHBondContact SG-CA 3.02Å; C68-C77 WeakPolarHBondContact SG-CB 3.36Å; C68-C77 CovalentContact SG-SG 2.04Å; C68-C77 PolarHBondContact SG-SG 2.77Å; Q73-C77 CarbonylContact O-C 3.51Å; Q73-C77 VanDerWaalsContact O-CA 3.29Å; Q73-C77 WeakPolarHBondContact O-CA 3.3Å; G74-C77 PolarHBondContact O-N 2.82Å
78	K	78.8	Confident	66.3	Low	124 Å²	124	108.7 Å²	108.7	54%	0.539	56%	0.556	S	S	.	*			trans	-93.9	-20	173.7	-64.2	-177.4	-160.9	133.2	0	114.8	D76	D76-K78 VanDerWaalsContact C-N 3.35Å; D76-K78 PolarHBondContact O-N 2.68Å; D76-K78 WeakPolarHBondContact OD1-CB 3.32Å; D76-K78 WeakPolarHBondContact OD1-CG 3.45Å; D76-K78 PolarHBondContact OD1-N 3.37Å; D76-K78 WeakPolarHBondContact OD2-CD 3.46Å; D76-K78 WeakPolarHBondContact OD2-CE 3.31Å; D76-K78 IonicContact OD2-NZ 3.58Å; D76-K78 PolarHBondContact OD2-NZ 3.02Å
79	E	78.4	Confident	63.9	Low	100 Å²	100	112.8 Å²	112.8	47%	0.467	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.1	130	-179.5	-61.6	167.8	-152.9	0	0	110.2	Y72 Q73 G74	Y72-E79 CarbonylContact C-O 3.58Å; Y72-E79 VanDerWaalsContact CA-O 3.25Å; Y72-E79 WeakPolarHBondContact CA-O 3.42Å; Q73-E79 HydrophobicContact CG-CB 3.87Å; Q73-E79 PolarHBondContact N-O 2.76Å; Q73-E79 PolarHBondContact NE2-OE2 3.07Å; Q73-E79 WeakPolarHBondContact O-CB 3.37Å; Q73-E79 PolarHBondContact O-N 3.42Å; G74-E79 WeakPolarHBondContact CA-OE1 3.46Å
80	V	71.1	Confident	61.2	Low	95 Å²	95	121 Å²	121	58%	0.576	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.7	127.9	170.9	178.3	0	0	0	0	108.8	Y72 L82	Y72-V80 HydrophobicContact CD1-CG2 4.23Å; Y72-V80 HydrophobicContact CE1-CG2 3.85Å; V80-L82 PolarHBondContact O-N 2.86Å
81	K	70.3	Confident	58.5	Low	122 Å²	122	122.1 Å²	122.1	53%	0.53	62%	0.623	S	S	.	*			trans	-77.5	84.4	-177.4	-170.9	166.5	-168.7	176.1	0	110.8	G71 Q73 L83	G71-K81 PolarHBondContact O-N 3.09Å; Q73-K81 HydrophobicContact CG-CB 4.26Å; Q73-K81 VanDerWaalsContact OE1-CD 3.31Å; K81-L83 PolarHBondContact O-N 2.7Å
82	L	50.2	Low	56.1	Low	151 Å²	151	125.4 Å²	125.4	79%	0.791	64%	0.64	S	S	*	*			trans	-59.3	127.2	171.5	-66.3	174.9	0	0	0	110	V80 Q84	V80-L82 PolarHBondContact O-N 2.86Å; L82-Q84 PolarHBondContact O-N 2.8Å
83	L	51	Low	53.6	Low	174 Å²	174	126.9 Å²	126.9	91%	0.911	66%	0.663	S	S	*	*			trans	-76.1	104.9	175.2	-67.3	171.4	0	0	0	109.2	K81	K81-L83 PolarHBondContact O-N 2.7Å
84	Q	41.4	Very low	51	Low	188 Å²	188	131.2 Å²	131.2	88%	0.879	69%	0.689	S	S	*	*			trans	-103.2	131.3	164.8	-90.6	-179.1	-32.3	0	0	109.9	L82	L82-Q84 PolarHBondContact O-N 2.8Å
85	A	38	Very low	48.7	Very low	90 Å²	90	136 Å²	136	74%	0.744	72%	0.718	S	S	*	*			trans	-80.2	161.8	172.7	0	0	0	0	0	111.5
86	D	36.4	Very low	46.4	Very low	151 Å²	151	127.7 Å²	127.7	81%	0.807	70%	0.703	S	S	*	*			trans	52.8	109.4	168.9	-65.6	-33.6	0	0	0	119.3
87	R	30.6	Very low	43.8	Very low	243 Å²	243	136.4 Å²	136.4	92%	0.917	73%	0.734	S	S	*	*				-163.9	131.5	96.1	-106	172.2	176.2	178.5	-1.7	114.2
88	L	32.3	Very low	41	Very low	159 Å²	159	145.6 Å²	145.6	83%	0.832	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74.4	140.7	162.2	-75	158.8	0	0	0	110.9
89	P	36.1	Very low	38.9	Very low	116 Å²	116	145.6 Å²	145.6	75%	0.753	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-94.4	144.5	151.2	-7	26.7	0	0	0	110.8
90	H	30.4	Very low	36.3	Very low	193 Å²	193	147.6 Å²	147.6	89%	0.894	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.7	153.4	-174.7	-60.3	-91.3	0	0	0	113.8
91	T	26.6	Very low	34.7	Very low	130 Å²	130	147.4 Å²	147.4	80%	0.798	80%	0.801	S	S	*	*			trans	-88	-178.2	165.8	51.5	0	0	0	0	111.7
92	S	29.2	Very low	32.6	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	82%	0.817	S	S	*	*			trans	81.6	137.9	-177.9	79.7	0	0	0	0	115.6
93	S	29.1	Very low	31.3	Very low	120 Å²	120	146.6 Å²	146.6	84%	0.839	81%	0.814	S	S	*	*			cis	-157.2	163.6	-9.4	-110.4	0	0	0	0	112.6
94	N	28.3	Very low	30.7	Very low	168 Å²	168	144.1 Å²	144.1	90%	0.898	81%	0.809	S	S	*	*			trans	-62.1	139.5	173.8	-84	-9.7	0	0	0	112.9
95	S	29.2	Very low	29.9	Very low	128 Å²	128	142.1 Å²	142.1	90%	0.895	80%	0.804	S	S	*	*				-167.8	154.4	123.2	-167.4	0	0	0	0	109.8
96	G	24.8	Very low	29.3	Very low	59 Å²	59	144.4 Å²	144.4	61%	0.608	80%	0.799	S	S	*	*			trans	-151.6	130.1	173.5	0	0	0	0	0	112.2
97	Y	25.8	Very low	28.8	Very low	240 Å²	240	147.3 Å²	147.3	94%	0.941	80%	0.799	S	S	*	*			trans	-158.8	140.7	153.9	-106.1	-74.9	0	0	0	109.2
98	F	24.3	Very low	28.5	Very low	195 Å²	195	140.2 Å²	140.2	86%	0.855	78%	0.783	S	S	*	*			trans	-85.1	165.6	173.7	-81.1	-83.3	0	0	0	110.1
99	P	33.7	Very low	28.1	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	77%	0.774	S	S	*	*			cis	-144.3	-178.1	32.8	41.7	-20.3	0	0	0	119.5
100	N	23.1	Very low	27.5	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	77%	0.771	S	S	*	*			trans	-55	174.4	168	-136.8	19.9	0	0	0	113.1
101	P	37.9	Very low	27.2	Very low	90 Å²	90	137.7 Å²	137.7	58%	0.584	76%	0.757	S	S	*	*			cis	-148.2	-171.6	16.3	46.4	-25.9	0	0	0	119.4
102	Q	25.6	Very low	27.1	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	75%	0.753	S	S	*	*			trans	83.4	142.5	158.4	-68.1	163.8	3.7	0	0	119.2
103	G	24.3	Very low	26.9	Very low	71 Å²	71	141.9 Å²	141.9	73%	0.732	75%	0.752	S	S	*	*			trans	-116.1	-133	-179.6	0	0	0	0	0	112
104	P	37.8	Very low	26.6	Very low	122 Å²	122	145 Å²	145	79%	0.792	75%	0.752	S	S	*	*			cis	-147.8	169.4	1.8	45.8	-27.5	0	0	0	118.3
105	N	25.1	Very low	26.9	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	75%	0.747	S	S	*	*			trans	75.7	159.1	142.1	-141.3	-8	0	0	0	122.8
106	Q	25.6	Very low	26.7	Very low	139 Å²	139	141.7 Å²	141.7	65%	0.65	74%	0.74	S	S	*	*			trans	75.5	113.5	164.6	-65.6	-169.3	86.1	0	0	117.7
107	R	24.3	Very low	26.6	Very low	212 Å²	212	144.3 Å²	144.3	80%	0.8	74%	0.744	S	S	*	*				94.4	147.8	76.1	-86	-175	169	175.9	-6.2	111.6
108	T	24.5	Very low	26.5	Very low	94 Å²	94	144 Å²	144	58%	0.577	74%	0.742	S	S	*	*			cis	-155.2	170.8	13.2	-9.7	0	0	0	0	113.6
109	E	24.1	Very low	26.3	Very low	139 Å²	139	143.6 Å²	143.6	65%	0.65	74%	0.742	S	S	*	*			trans	64.4	128.5	154.6	-91.9	90	-119.1	0	0	120.6
110	Q	23.2	Very low	25.9	Very low	148 Å²	148	141.3 Å²	141.3	69%	0.692	74%	0.741	S	S	*	*				66.9	143.8	75.6	-63	-175.4	53.9	0	0	113.9
111	Q	24.2	Very low	26	Very low	127 Å²	127	143.3 Å²	143.3	59%	0.593	75%	0.746	S	S	*	*			cis	-160.9	-175.9	2	-124.3	-175.2	96.2	0	0	107.3
112	R	24.3	Very low	25.4	Very low	189 Å²	189	146.1 Å²	146.1	71%	0.713	75%	0.754	S	S	*	*			cis	-164.7	142.4	3.5	153.2	179	-67.3	-152	-2.1	110.9
113	N	24.8	Very low	25.3	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	75%	0.751	S	S	*	*			trans	38.9	146	152.2	-56.3	4.9	0	0	0	126.2
114	H	23.1	Very low	25.4	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.856	75%	0.754	S	S	*	*			trans	-49.8	172.9	155	-57.7	-70.9	0	0	0	115.3
115	P	35.6	Very low	24.8	Very low	122 Å²	122	149.6 Å²	149.6	79%	0.792	75%	0.752	S	S	*	*			cis	-136.5	-157	23.8	45.6	-24.5	0	0	0	113.9
116	S	25.5	Very low	24.8	Very low	106 Å²	106	149.2 Å²	149.2	74%	0.741	76%	0.756	S	S	*	*			cis	-153.2	154.9	9.1	53.9	0	0	0	0	116.8
117	T	21.2	Very low	24.8	Very low	113 Å²	113	148.8 Å²	148.8	69%	0.693	76%	0.762	S	S	*	*			trans	-27.5	165.2	159.3	-2	0	0	0	0	123.5
118	W	23.3	Very low	24.8	Very low	235 Å²	235	143 Å²	143	89%	0.89	76%	0.759	S	S	*	*			trans	77.3	151.7	164.9	-54.9	-12.4	0	0	0	116.6
119	E	22	Very low	24.9	Very low	185 Å²	185	145 Å²	145	86%	0.864	77%	0.772	S	S	*	*			cis	173.5	138.7	-25.1	-170.4	167.2	-132.1	0	0	103.9
120	G	24.8	Very low	25	Very low	76 Å²	76	142.5 Å²	142.5	78%	0.784	78%	0.775	S	S	*	*			trans	167.1	129.1	-179	0	0	0	0	0	115.8
121	Q	24.5	Very low	25.4	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	78%	0.782	S	S	*	*			trans	-93.8	167.3	176.8	-69.5	161.5	-68.9	0	0	111.8
122	I	25.4	Very low	25.4	Very low	148 Å²	148	144.1 Å²	144.1	76%	0.759	79%	0.794	S	S	*	*				158.5	114.5	122.2	-78.2	-63.8	0	0	0	112
123	R	23.7	Very low	25.4	Very low	211 Å²	211	140.7 Å²	140.7	80%	0.796	80%	0.799	S	S	*	*			trans	32.8	123.6	141.1	-168.8	-171.3	-63.1	-107.9	-1	120.9
124	G	26.5	Very low	25.6	Very low	76 Å²	76	143.2 Å²	143.2	78%	0.784	81%	0.806	S	S	*	*			trans	-149.3	143.5	150.3	0	0	0	0	0	111
125	Q	25.6	Very low	26	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	81%	0.807	S	S	*	*			trans	-132.8	140.9	-177.8	-69.2	177.3	-47.5	0	0	111.2
126	T	25.1	Very low	25.9	Very low	138 Å²	138	148.9 Å²	148.9	85%	0.847	81%	0.812	S	S	*	*			trans	163.6	148.7	142.9	38.6	0	0	0	0	108.5
127	V	25.7	Very low	26.9	Very low	131 Å²	131	148 Å²	148	79%	0.794	80%	0.804	S	S	*	*			cis	157.1	135.1	-19.7	142.1	0	0	0	0	104.8
128	A	24.5	Very low	27.8	Very low	89 Å²	89	150.7 Å²	150.7	74%	0.736	81%	0.808	S	S	*	*			trans	65.9	157.2	176.3	0	0	0	0	0	115.9
129	T	25	Very low	29	Very low	137 Å²	137	144 Å²	144	84%	0.84	80%	0.798	S	S	*	*			cis	-147.9	158	5.1	-26.6	0	0	0	0	110.3
130	A	26.4	Very low	30.1	Very low	87 Å²	87	142.5 Å²	142.5	72%	0.719	79%	0.791	S	S	*	*			trans	-102.6	157.6	160.3	0	0	0	0	0	110.4
131	P	32.1	Very low	31.2	Very low	128 Å²	128	145.8 Å²	145.8	83%	0.831	79%	0.786	S	S	*	*				-141.5	-174.9	117	38.3	-24.4	0	0	0	114.2
132	E	24.1	Very low	32.3	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	77%	0.768	S	S	*	*			trans	-90.7	170.9	-159.5	-63.2	160.2	91.5	0	0	117.1
133	S	25.6	Very low	33.5	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	76%	0.759	S	S	*	*			trans	75	120.3	148.4	72.6	0	0	0	0	119.5
134	Q	28.4	Very low	35	Very low	195 Å²	195	136.3 Å²	136.3	91%	0.911	75%	0.75	S	S	*	*				-165.8	131.8	102.2	-163.3	160.1	-0.3	0	0	110.7
135	E	32.2	Very low	36.7	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	74%	0.744	S	S	*	*			trans	-87.5	146.4	175.7	-61.2	174.3	109.7	0	0	112
136	R	32.9	Very low	38.4	Very low	240 Å²	240	136.3 Å²	136.3	91%	0.906	73%	0.729	S	S	*	*			trans	-168	161.9	136.7	-105.4	-167.8	-172.7	-178.2	4.5	111.9
137	P	45.2	Very low	40.2	Very low	87 Å²	87	134.3 Å²	134.3	57%	0.565	72%	0.716	S	S	*	*			trans	-95.1	136.3	-150.4	35.3	-36.2	0	0	0	114.2
138	Q	41	Very low	41.9	Very low	169 Å²	169	134.2 Å²	134.2	79%	0.79	71%	0.707	S	S	*	*			trans	-115	-15.8	167.1	-68.7	-177.7	-33.5	0	0	113.1	H142	Q138-H142 WeakPolarHBondContact O-CB 3.48Å; Q138-H142 PolarHBondContact O-N 2.84Å
139	S	48.9	Very low	43.7	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	70%	0.702	S	S	*	*	H	α-helix	trans	-70.8	-35.7	-169.5	-163.4	0	0	0	0	114.7	L143	S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.41Å; S139-L143 VanDerWaalsContact O-N 3.14Å
140	E	44.1	Very low	45.5	Very low	154 Å²	154	135 Å²	135	72%	0.72	69%	0.69	S	S	*	*	H	α-helix	trans	-74.4	-40.8	-176.9	-67.2	-179.6	132.8	0	0	111.9	L143 Q144	E140-L143 PolarHBondContact O-N 3.38Å; E140-Q144 WeakPolarHBondContact O-CB 3.36Å; E140-Q144 PolarHBondContact O-N 2.94Å
141	Q	49.5	Very low	47.2	Very low	145 Å²	145	134.1 Å²	134.1	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-66.2	-43.7	176.7	-64.6	-171.4	-68.8	0	0	111.5	L143 Q144 E145	Q141-L143 PolarHBondContact O-N 3.32Å; Q141-Q144 PolarHBondContact O-N 3.31Å; Q141-E145 PolarHBondContact O-N 3.4Å
142	H	45.9	Very low	49	Very low	109 Å²	109	134 Å²	134	51%	0.505	67%	0.666	S	S	.	*	H	α-helix	trans	-61.8	-43.5	177.2	-168.6	-75.2	0	0	0	112.2	Q138 Q144 E145 E146	Q138-H142 WeakPolarHBondContact O-CB 3.48Å; Q138-H142 PolarHBondContact O-N 2.84Å; H142-Q144 VanDerWaalsContact C-N 3.33Å; H142-Q144 PolarHBondContact O-N 3.41Å; H142-E145 PolarHBondContact O-N 2.92Å; H142-E146 IonicContact CE1-OE1 3.4Å; H142-E146 PolarHBondContact CE1-OE1 2.85Å; H142-E146 VanDerWaalsContact CE1-OE1 3.32Å; H142-E146 IonicContact ND1-OE1 2.73Å; H142-E146 IonicContact ND1-OE2 2.73Å; H142-E146 PolarHBondContact O-N 3.12Å
143	L	51.3	Low	51	Low	106 Å²	106	131.2 Å²	131.2	56%	0.555	66%	0.655	S	S	*	*	H	α-helix	trans	-68.3	-34.4	179	-161	73.4	0	0	0	111.8	S139 E140 Q141 V147	S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.41Å; S139-L143 VanDerWaalsContact O-N 3.14Å; E140-L143 PolarHBondContact O-N 3.38Å; Q141-L143 PolarHBondContact O-N 3.32Å; L143-V147 VanDerWaalsContact O-CG2 3.31Å; L143-V147 WeakPolarHBondContact O-CG2 3.43Å; L143-V147 PolarHBondContact O-N 3.27Å
144	Q	55.6	Low	53.1	Low	130 Å²	130	129.6 Å²	129.6	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-68.8	-40.6	173.9	-172.8	171.4	-17.2	0	0	111.9	E140 Q141 H142 Q148	E140-Q144 WeakPolarHBondContact O-CB 3.36Å; E140-Q144 PolarHBondContact O-N 2.94Å; Q141-Q144 PolarHBondContact O-N 3.31Å; H142-Q144 VanDerWaalsContact C-N 3.33Å; H142-Q144 PolarHBondContact O-N 3.41Å; Q144-Q148 VanDerWaalsContact O-CB 3.23Å; Q144-Q148 WeakPolarHBondContact O-CB 3.33Å; Q144-Q148 PolarHBondContact O-N 2.9Å
145	E	61.2	Low	54.9	Low	142 Å²	142	124.7 Å²	124.7	66%	0.664	62%	0.619	S	S	*	*	H	α-helix	trans	-63.3	-43.6	173.6	-75.3	-172.5	133.3	0	0	112	Q141 H142 Q148 Q149	Q141-E145 PolarHBondContact O-N 3.4Å; H142-E145 PolarHBondContact O-N 2.92Å; E145-Q148 PolarHBondContact O-N 2.94Å; E145-Q149 WeakPolarHBondContact O-CB 3.42Å; E145-Q149 PolarHBondContact O-N 3.16Å
146	E	61.8	Low	56.4	Low	98 Å²	98	119.2 Å²	119.2	46%	0.458	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-44.1	176.4	-76.5	-171.7	153	0	0	112.7	H142 Q148 Q149 L150	H142-E146 IonicContact CE1-OE1 3.4Å; H142-E146 PolarHBondContact CE1-OE1 2.85Å; H142-E146 VanDerWaalsContact CE1-OE1 3.32Å; H142-E146 IonicContact ND1-OE1 2.73Å; H142-E146 IonicContact ND1-OE2 2.73Å; H142-E146 PolarHBondContact O-N 3.12Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 3.29Å; E146-Q149 PolarHBondContact O-N 3.44Å; E146-L150 VanDerWaalsContact O-CB 3.28Å; E146-L150 WeakPolarHBondContact O-CB 3.47Å; E146-L150 PolarHBondContact O-N 3.46Å
147	V	63.7	Low	57.9	Low	95 Å²	95	113.4 Å²	113.4	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-63.1	-40	176.2	169	0	0	0	0	111.2	L143 S151	L143-V147 VanDerWaalsContact O-CG2 3.31Å; L143-V147 WeakPolarHBondContact O-CG2 3.43Å; L143-V147 PolarHBondContact O-N 3.27Å; V147-S151 WeakPolarHBondContact O-CB 3.26Å; V147-S151 PolarHBondContact O-N 3.12Å
148	Q	60.7	Low	58.5	Low	129 Å²	129	114.6 Å²	114.6	60%	0.603	58%	0.579	S	S	*	*	H	α-helix	trans	-73.4	-35.5	-179.8	-164.2	157.1	-6.2	0	0	111.9	Q144 E145 E146 Q152	Q144-Q148 VanDerWaalsContact O-CB 3.23Å; Q144-Q148 WeakPolarHBondContact O-CB 3.33Å; Q144-Q148 PolarHBondContact O-N 2.9Å; E145-Q148 PolarHBondContact O-N 2.94Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 3.29Å; Q148-Q152 WeakPolarHBondContact O-CB 3.36Å; Q148-Q152 PolarHBondContact O-N 2.74Å
149	Q	61.5	Low	59.6	Low	133 Å²	133	109.2 Å²	109.2	62%	0.621	56%	0.563	S	S	*	*	H	α-helix	trans	-67.9	-40.6	172.6	-171.2	177.4	38.8	0	0	112.1	E145 E146 Q152 M153	E145-Q149 WeakPolarHBondContact O-CB 3.42Å; E145-Q149 PolarHBondContact O-N 3.16Å; E146-Q149 PolarHBondContact O-N 3.44Å; Q149-Q152 PolarHBondContact O-N 3Å; Q149-M153 WeakPolarHBondContact O-CB 3.37Å; Q149-M153 PolarHBondContact O-N 2.91Å
150	L	63.4	Low	60.4	Low	111 Å²	111	111.7 Å²	111.7	58%	0.581	56%	0.558	S	S	*	*	H	α-helix	trans	-65.6	-43.1	175.4	-175.5	65.5	0	0	0	111.4	E146 Q152 M153 V154	E146-L150 VanDerWaalsContact O-CB 3.28Å; E146-L150 WeakPolarHBondContact O-CB 3.47Å; E146-L150 PolarHBondContact O-N 3.46Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 2.87Å; L150-M153 PolarHBondContact O-N 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 2.95Å
151	S	62.5	Low	61	Low	68 Å²	68	109.3 Å²	109.3	48%	0.476	55%	0.548	S	S	.	.	H	α-helix	trans	-58.1	-46.4	173.2	-175.1	0	0	0	0	111.6	V147 M153 V154 L155	V147-S151 WeakPolarHBondContact O-CB 3.26Å; V147-S151 PolarHBondContact O-N 3.12Å; S151-M153 VanDerWaalsContact C-N 3.31Å; S151-M153 PolarHBondContact O-N 2.9Å; S151-V154 PolarHBondContact O-N 3.16Å; S151-L155 WeakPolarHBondContact O-CG 3.32Å; S151-L155 PolarHBondContact O-N 3.35Å
152	Q	70.1	Confident	61.8	Low	126 Å²	126	106.7 Å²	106.7	59%	0.589	54%	0.542	S	S	*	.	H	α-helix	trans	-63.1	-35.4	177	-163.9	63.5	66.1	0	0	112.8	Q148 Q149 L150 L155 D156	Q148-Q152 WeakPolarHBondContact O-CB 3.36Å; Q148-Q152 PolarHBondContact O-N 2.74Å; Q149-Q152 PolarHBondContact O-N 3Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 2.87Å; Q152-L155 PolarHBondContact O-N 2.95Å; Q152-D156 PolarHBondContact O-N 2.78Å
153	M	66.3	Low	62.5	Low	120 Å²	120	106.2 Å²	106.2	59%	0.591	54%	0.543	S	S	*	.	H	α-helix	trans	-69.6	-38.4	176	-170.2	-179.3	-63.1	0	0	112.4	Q149 L150 S151 L155 D156 M157	Q149-M153 WeakPolarHBondContact O-CB 3.37Å; Q149-M153 PolarHBondContact O-N 2.91Å; L150-M153 PolarHBondContact O-N 3.31Å; S151-M153 VanDerWaalsContact C-N 3.31Å; S151-M153 PolarHBondContact O-N 2.9Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-D156 PolarHBondContact O-N 2.96Å; M153-M157 VanDerWaalsContact O-CB 3.3Å; M153-M157 WeakPolarHBondContact O-CB 3.46Å; M153-M157 PolarHBondContact O-N 3.39Å
154	V	68.6	Low	62.5	Low	84 Å²	84	106.6 Å²	106.6	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-39.9	173.6	172.4	0	0	0	0	110.9	L150 S151 M157 Q158	L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 2.95Å; S151-V154 PolarHBondContact O-N 3.16Å; V154-M157 PolarHBondContact O-N 3.27Å; V154-Q158 WeakPolarHBondContact O-CB 3.26Å; V154-Q158 PolarHBondContact O-N 2.9Å
155	L	67	Low	62.3	Low	91 Å²	91	103.2 Å²	103.2	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-41	175.8	-69.2	170.8	0	0	0	112.6	S151 Q152 M153 Q158 A159	S151-L155 WeakPolarHBondContact O-CG 3.32Å; S151-L155 PolarHBondContact O-N 3.35Å; Q152-L155 PolarHBondContact O-N 2.95Å; M153-L155 VanDerWaalsContact C-N 3.34Å; L155-Q158 PolarHBondContact O-N 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.41Å; L155-A159 PolarHBondContact O-N 3.45Å
156	D	64.2	Low	61.8	Low	72 Å²	72	98.9 Å²	98.9	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-65.6	-40.9	173.9	-175.3	62.1	0	0	0	111.9	Q152 M153 Q158 A159 R160	Q152-D156 PolarHBondContact O-N 2.78Å; M153-D156 PolarHBondContact O-N 2.96Å; D156-Q158 PolarHBondContact O-N 3.48Å; D156-A159 PolarHBondContact O-N 3.01Å; D156-R160 VanDerWaalsContact O-CG 3.29Å; D156-R160 WeakPolarHBondContact O-CG 3.45Å; D156-R160 PolarHBondContact O-N 3.11Å; D156-R160 IonicContact OD1-CZ 2.7Å; D156-R160 IonicContact OD1-NE 3.49Å; D156-R160 IonicContact OD1-NH2 3.95Å; D156-R160 PolarHBondContact OD1-NH2 2.95Å; D156-R160 IonicContact OD2-CZ 2.98Å; D156-R160 IonicContact OD2-NE 2.8Å; D156-R160 PolarHBondContact OD2-NE 3.48Å; D156-R160 IonicContact OD2-NH2 2.66Å; D156-R160 PolarHBondContact OD2-NH2 2.84Å
157	M	64.1	Low	61.5	Low	117 Å²	117	97.8 Å²	97.8	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-59.9	-43.8	173.3	-169.7	74.1	157.6	0	0	111.6	M153 V154 R160 M161	M153-M157 VanDerWaalsContact O-CB 3.3Å; M153-M157 WeakPolarHBondContact O-CB 3.46Å; M153-M157 PolarHBondContact O-N 3.39Å; V154-M157 PolarHBondContact O-N 3.27Å; M157-R160 PolarHBondContact O-N 2.91Å; M157-M161 HydrophobicContact CG-CE 4.23Å; M157-M161 WeakPolarHBondContact O-CG 3.41Å; M157-M161 PolarHBondContact O-N 3.33Å
158	Q	56.9	Low	60.8	Low	113 Å²	113	98.6 Å²	98.6	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-71.1	-35.9	179.2	-168.5	168.1	3	0	0	112.4	V154 L155 D156 M161 T162	V154-Q158 WeakPolarHBondContact O-CB 3.26Å; V154-Q158 PolarHBondContact O-N 2.9Å; L155-Q158 PolarHBondContact O-N 3.23Å; D156-Q158 PolarHBondContact O-N 3.48Å; Q158-M161 HydrophobicContact CB-CE 4.47Å; Q158-M161 PolarHBondContact O-N 3.47Å; Q158-T162 WeakPolarHBondContact O-CB 3.41Å; Q158-T162 PolarHBondContact O-N 3.25Å; Q158-T162 PolarHBondContact O-OG1 2.65Å
159	A	65.3	Low	60.6	Low	56 Å²	56	101.4 Å²	101.4	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-49	170.4	0	0	0	0	0	111.3	L155 D156 M161 T162 D163	L155-A159 WeakPolarHBondContact O-CB 3.41Å; L155-A159 PolarHBondContact O-N 3.45Å; D156-A159 PolarHBondContact O-N 3.01Å; A159-M161 PolarHBondContact O-N 2.92Å; A159-T162 WeakPolarHBondContact O-CB 3.4Å; A159-T162 PolarHBondContact O-N 3.37Å; A159-T162 VanDerWaalsContact O-N 3.12Å; A159-D163 PolarHBondContact O-N 3.41Å
160	R	64.3	Low	60.4	Low	147 Å²	147	100.2 Å²	100.2	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-61.5	-38.7	176.6	-69.3	173.5	-161.9	-98.4	-1.8	113.1	D156 M157 T162 D163 M164	D156-R160 VanDerWaalsContact O-CG 3.29Å; D156-R160 WeakPolarHBondContact O-CG 3.45Å; D156-R160 PolarHBondContact O-N 3.11Å; D156-R160 IonicContact OD1-CZ 2.7Å; D156-R160 IonicContact OD1-NE 3.49Å; D156-R160 IonicContact OD1-NH2 3.95Å; D156-R160 PolarHBondContact OD1-NH2 2.95Å; D156-R160 IonicContact OD2-CZ 2.98Å; D156-R160 IonicContact OD2-NE 2.8Å; D156-R160 PolarHBondContact OD2-NE 3.48Å; D156-R160 IonicContact OD2-NH2 2.66Å; D156-R160 PolarHBondContact OD2-NH2 2.84Å; M157-R160 PolarHBondContact O-N 2.91Å; R160-T162 VanDerWaalsContact C-N 3.34Å; R160-D163 PolarHBondContact O-N 3.49Å; R160-M164 HydrophobicContact CB-CE 4.28Å; R160-M164 WeakPolarHBondContact O-CB 3.39Å; R160-M164 VanDerWaalsContact O-CE 3.32Å; R160-M164 WeakPolarHBondContact O-CE 3.48Å; R160-M164 WeakPolarHBondContact O-CG 3.47Å; R160-M164 PolarHBondContact O-N 3.04Å
161	M	56.2	Low	59.7	Low	103 Å²	103	99.7 Å²	99.7	51%	0.507	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-36.7	174.2	-73.4	-173.1	-62.8	0	0	112.2	M157 Q158 A159 A165	M157-M161 HydrophobicContact CG-CE 4.23Å; M157-M161 WeakPolarHBondContact O-CG 3.41Å; M157-M161 PolarHBondContact O-N 3.33Å; Q158-M161 HydrophobicContact CB-CE 4.47Å; Q158-M161 PolarHBondContact O-N 3.47Å; A159-M161 PolarHBondContact O-N 2.92Å; M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 3.17Å
162	T	67	Low	59	Low	90 Å²	90	104.6 Å²	104.6	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-68.6	-39.9	176	-52.7	0	0	0	0	111.3	Q158 A159 R160 A165 S166	Q158-T162 WeakPolarHBondContact O-CB 3.41Å; Q158-T162 PolarHBondContact O-N 3.25Å; Q158-T162 PolarHBondContact O-OG1 2.65Å; A159-T162 WeakPolarHBondContact O-CB 3.4Å; A159-T162 PolarHBondContact O-N 3.37Å; A159-T162 VanDerWaalsContact O-N 3.12Å; R160-T162 VanDerWaalsContact C-N 3.34Å; T162-A165 PolarHBondContact O-N 3Å; T162-S166 PolarHBondContact O-N 2.93Å; T162-S166 PolarHBondContact O-OG 2.89Å
163	D	60.9	Low	58	Low	99 Å²	99	104.4 Å²	104.4	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-72.3	-35.2	177.7	-161.3	57.7	0	0	0	112.5	A159 R160 A165 S166 N167	A159-D163 PolarHBondContact O-N 3.41Å; R160-D163 PolarHBondContact O-N 3.49Å; D163-A165 VanDerWaalsContact C-N 3.31Å; D163-A165 PolarHBondContact O-N 3.02Å; D163-S166 WeakPolarHBondContact CA-OG 3.43Å; D163-S166 PolarHBondContact O-N 2.66Å; D163-S166 PolarHBondContact O-OG 2.93Å; D163-N167 WeakPolarHBondContact O-CB 3.34Å; D163-N167 PolarHBondContact O-N 3.02Å; D163-N167 PolarHBondContact O-ND2 3.45Å; D163-N167 PolarHBondContact OD2-ND2 3.04Å
164	M	51.8	Low	57.6	Low	115 Å²	115	104.2 Å²	104.2	57%	0.567	53%	0.531	S	S	*	.	H	α-helix	trans	-65.4	-34.6	168.6	-76.3	-177.1	-76.5	0	0	112	R160 L168	R160-M164 HydrophobicContact CB-CE 4.28Å; R160-M164 WeakPolarHBondContact O-CB 3.39Å; R160-M164 VanDerWaalsContact O-CE 3.32Å; R160-M164 WeakPolarHBondContact O-CE 3.48Å; R160-M164 WeakPolarHBondContact O-CG 3.47Å; R160-M164 PolarHBondContact O-N 3.04Å; M164-L168 VanDerWaalsContact O-CB 3.32Å; M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 WeakPolarHBondContact O-CG 3.32Å; M164-L168 PolarHBondContact O-N 3.05Å
165	A	50.6	Low	56.8	Low	59 Å²	59	104.5 Å²	104.5	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-73.3	-31.8	177.1	0	0	0	0	0	113.6	M161 T162 D163 R169	M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 3.17Å; T162-A165 PolarHBondContact O-N 3Å; D163-A165 VanDerWaalsContact C-N 3.31Å; D163-A165 PolarHBondContact O-N 3.02Å; A165-R169 WeakPolarHBondContact O-CB 3.45Å; A165-R169 PolarHBondContact O-N 3.25Å
166	S	51.8	Low	56.2	Low	51 Å²	51	102.7 Å²	102.7	36%	0.357	53%	0.528	S	S	.	.	H	α-helix	trans	-71.8	-44.7	172.8	58.7	0	0	0	0	111.5	T162 D163 R169 L170	T162-S166 PolarHBondContact O-N 2.93Å; T162-S166 PolarHBondContact O-OG 2.89Å; D163-S166 WeakPolarHBondContact CA-OG 3.43Å; D163-S166 PolarHBondContact O-N 2.66Å; D163-S166 PolarHBondContact O-OG 2.93Å; S166-R169 WeakPolarHBondContact O-CB 3.46Å; S166-R169 PolarHBondContact O-N 3.19Å; S166-L170 PolarHBondContact O-N 2.92Å
167	N	53.9	Low	55.1	Low	74 Å²	74	102.6 Å²	102.6	40%	0.396	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-48	176.3	-74.8	-65.7	0	0	0	111.6	D163 R169 L170 D171	D163-N167 WeakPolarHBondContact O-CB 3.34Å; D163-N167 PolarHBondContact O-N 3.02Å; D163-N167 PolarHBondContact O-ND2 3.45Å; D163-N167 PolarHBondContact OD2-ND2 3.04Å; N167-R169 PolarHBondContact O-N 2.97Å; N167-R169 VanDerWaalsContact O-N 3.13Å; N167-L170 PolarHBondContact O-N 3.32Å; N167-D171 PolarHBondContact O-N 3.43Å
168	L	50.3	Low	54.5	Low	113 Å²	113	101.8 Å²	101.8	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-55.4	-32.4	173.9	-84.9	166.5	0	0	0	113.3	M164 F172	M164-L168 VanDerWaalsContact O-CB 3.32Å; M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 WeakPolarHBondContact O-CG 3.32Å; M164-L168 PolarHBondContact O-N 3.05Å; L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 PolarHBondContact O-N 2.83Å
169	R	56.8	Low	53.9	Low	187 Å²	187	102.5 Å²	102.5	71%	0.706	53%	0.531	S	S	*	.	H	α-helix	trans	-76	-35.1	177.2	-172.5	174.2	-176.9	138.5	2.2	112.5	A165 S166 N167 Q173	A165-R169 WeakPolarHBondContact O-CB 3.45Å; A165-R169 PolarHBondContact O-N 3.25Å; S166-R169 WeakPolarHBondContact O-CB 3.46Å; S166-R169 PolarHBondContact O-N 3.19Å; N167-R169 PolarHBondContact O-N 2.97Å; N167-R169 VanDerWaalsContact O-N 3.13Å; R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.49Å; R169-Q173 PolarHBondContact O-N 3.44Å; R169-Q173 VanDerWaalsContact O-N 3.13Å
170	L	56.4	Low	52.8	Low	108 Å²	108	105 Å²	105	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-68	-47.8	173.7	-71.1	170.9	0	0	0	110.8	S166 N167 F172 Q173 E174	S166-L170 PolarHBondContact O-N 2.92Å; N167-L170 PolarHBondContact O-N 3.32Å; L170-F172 PolarHBondContact O-N 2.94Å; L170-Q173 PolarHBondContact O-N 2.94Å; L170-Q173 VanDerWaalsContact O-N 3.16Å; L170-E174 WeakPolarHBondContact O-CB 3.24Å; L170-E174 PolarHBondContact O-N 3.48Å
171	D	48.4	Very low	51.8	Low	101 Å²	101	100.8 Å²	100.8	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-55.4	-50.5	177.4	-67.6	-28.7	0	0	0	111.2	N167 Q173 E174 D175	N167-D171 PolarHBondContact O-N 3.43Å; D171-Q173 VanDerWaalsContact C-N 3.32Å; D171-Q173 PolarHBondContact O-N 3.01Å; D171-E174 PolarHBondContact O-N 3.5Å; D171-D175 WeakPolarHBondContact O-CB 3.48Å; D171-D175 PolarHBondContact O-N 3.39Å
172	F	48	Very low	51.4	Low	170 Å²	170	99.8 Å²	99.8	75%	0.746	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-35.2	179.4	-128.7	-84.3	0	0	0	112.9	L168 L170 A176	L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 PolarHBondContact O-N 2.83Å; L170-F172 PolarHBondContact O-N 2.94Å; F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.43Å; F172-A176 VanDerWaalsContact O-N 3.07Å
173	Q	50	Low	50.2	Low	122 Å²	122	101 Å²	101	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-75.3	-35.5	178.8	-175.8	171.3	-21.7	0	0	111.8	R169 L170 D171 S177	R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.49Å; R169-Q173 PolarHBondContact O-N 3.44Å; R169-Q173 VanDerWaalsContact O-N 3.13Å; L170-Q173 PolarHBondContact O-N 2.94Å; L170-Q173 VanDerWaalsContact O-N 3.16Å; D171-Q173 VanDerWaalsContact C-N 3.32Å; D171-Q173 PolarHBondContact O-N 3.01Å; Q173-S177 WeakPolarHBondContact O-CB 3.38Å; Q173-S177 PolarHBondContact O-N 3.28Å; Q173-S177 PolarHBondContact O-OG 3.24Å
174	E	56.7	Low	49.4	Very low	116 Å²	116	102.1 Å²	102.1	54%	0.542	54%	0.54	S	S	.	.	H	α-helix	trans	-73.6	-41.9	177.9	-154.7	-174	110.4	0	0	111.2	L170 D171 S177 K178	L170-E174 WeakPolarHBondContact O-CB 3.24Å; L170-E174 PolarHBondContact O-N 3.48Å; D171-E174 PolarHBondContact O-N 3.5Å; E174-S177 WeakPolarHBondContact O-CB 3.29Å; E174-S177 PolarHBondContact O-N 3.39Å; E174-K178 WeakPolarHBondContact O-CG 3.41Å; E174-K178 PolarHBondContact O-N 2.7Å; E174-K178 WeakPolarHBondContact OE1-CE 3.44Å; E174-K178 IonicContact OE1-NZ 2.66Å; E174-K178 PolarHBondContact OE1-NZ 2.8Å
175	D	53	Low	48.8	Very low	91 Å²	91	100.7 Å²	100.7	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-70.4	-35.9	176.5	-81.2	1.7	0	0	0	112.8	D171 S177 K178 M179	D171-D175 WeakPolarHBondContact O-CB 3.48Å; D171-D175 PolarHBondContact O-N 3.39Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 2.91Å; D175-K178 PolarHBondContact O-N 3.47Å; D175-K178 IonicContact OD1-NZ 3.72Å; D175-K178 PolarHBondContact OD1-NZ 3.38Å; D175-M179 VanDerWaalsContact O-CB 3.28Å; D175-M179 WeakPolarHBondContact O-CB 3.14Å; D175-M179 PolarHBondContact O-N 2.93Å
176	A	52.4	Low	48.1	Very low	53 Å²	53	103.8 Å²	103.8	44%	0.438	55%	0.55	S	S	.	.	H	α-helix	trans	-61.1	-39.8	168.3	0	0	0	0	0	111.7	F172 L180	F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.43Å; F172-A176 VanDerWaalsContact O-N 3.07Å; A176-L180 VanDerWaalsContact O-CB 3.28Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.12Å
177	S	42.9	Very low	47.2	Very low	70 Å²	70	109.2 Å²	109.2	49%	0.49	57%	0.572	S	S	.	*	H	α-helix	trans	-67.2	-41.7	177.2	-60.2	0	0	0	0	112.2	Q173 E174 D175 A181	Q173-S177 WeakPolarHBondContact O-CB 3.38Å; Q173-S177 PolarHBondContact O-N 3.28Å; Q173-S177 PolarHBondContact O-OG 3.24Å; E174-S177 WeakPolarHBondContact O-CB 3.29Å; E174-S177 PolarHBondContact O-N 3.39Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 2.91Å; S177-A181 VanDerWaalsContact O-CB 3.31Å; S177-A181 WeakPolarHBondContact O-CB 3.42Å; S177-A181 PolarHBondContact O-N 3.08Å
178	K	49.7	Very low	45.9	Very low	99 Å²	99	115.2 Å²	115.2	43%	0.43	59%	0.594	S	S	.	*	H	α-helix	trans	-63.5	-46.6	174.5	-70.3	164.8	-166.7	148.2	0	111.4	E174 D175 L180 A181 T182	E174-K178 WeakPolarHBondContact O-CG 3.41Å; E174-K178 PolarHBondContact O-N 2.7Å; E174-K178 WeakPolarHBondContact OE1-CE 3.44Å; E174-K178 IonicContact OE1-NZ 2.66Å; E174-K178 PolarHBondContact OE1-NZ 2.8Å; D175-K178 PolarHBondContact O-N 3.47Å; D175-K178 IonicContact OD1-NZ 3.72Å; D175-K178 PolarHBondContact OD1-NZ 3.38Å; K178-L180 PolarHBondContact O-N 2.94Å; K178-A181 PolarHBondContact O-N 3.48Å; K178-T182 PolarHBondContact O-N 3.37Å; K178-T182 PolarHBondContact O-OG1 3.04Å; K178-T182 VanDerWaalsContact O-OG1 3.06Å
179	M	45.7	Very low	45.2	Very low	129 Å²	129	118.4 Å²	118.4	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-61.4	-44.4	179.2	-170.7	-177.1	-60	0	0	111.6	D175 T182 L183	D175-M179 VanDerWaalsContact O-CB 3.28Å; D175-M179 WeakPolarHBondContact O-CB 3.14Å; D175-M179 PolarHBondContact O-N 2.93Å; M179-T182 PolarHBondContact O-N 2.86Å; M179-L183 HydrophobicContact CG-CD1 4.45Å; M179-L183 PolarHBondContact O-N 2.98Å
180	L	41.7	Very low	43.8	Very low	108 Å²	108	115.7 Å²	115.7	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-69.7	-35	178.4	-165.7	137.6	0	0	0	112.2	A176 K178 L183 L184	A176-L180 VanDerWaalsContact O-CB 3.28Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.12Å; K178-L180 PolarHBondContact O-N 2.94Å; L180-L183 PolarHBondContact O-N 3.33Å; L180-L184 HydrophobicContact CD2-CD1 3.66Å; L180-L184 HydrophobicContact CD2-CG 4.37Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 2.94Å
181	A	43.8	Very low	42.4	Very low	58 Å²	58	115.2 Å²	115.2	48%	0.479	62%	0.624	S	S	.	*	H	α-helix	trans	-64.4	-40.4	170	0	0	0	0	0	112.6	S177 K178 L184 S185	S177-A181 VanDerWaalsContact O-CB 3.31Å; S177-A181 WeakPolarHBondContact O-CB 3.42Å; S177-A181 PolarHBondContact O-N 3.08Å; K178-A181 PolarHBondContact O-N 3.48Å; A181-L184 PolarHBondContact O-N 3.37Å; A181-S185 WeakPolarHBondContact O-CB 3.22Å; A181-S185 PolarHBondContact O-N 3Å; A181-S185 PolarHBondContact O-OG 3.01Å
182	T	46.6	Very low	41.4	Very low	83 Å²	83	116.5 Å²	116.5	51%	0.509	64%	0.641	S	S	.	*	H	α-helix	trans	-66.9	-38.6	176.1	-60.5	0	0	0	0	111.9	K178 M179 S185 N186	K178-T182 PolarHBondContact O-N 3.37Å; K178-T182 PolarHBondContact O-OG1 3.04Å; K178-T182 VanDerWaalsContact O-OG1 3.06Å; M179-T182 PolarHBondContact O-N 2.86Å; T182-S185 WeakPolarHBondContact CA-OG 3.45Å; T182-S185 PolarHBondContact O-N 3.05Å; T182-S185 PolarHBondContact O-OG 3.48Å; T182-N186 PolarHBondContact O-N 3.31Å; T182-N186 PolarHBondContact O-ND2 3.2Å
183	L	42.6	Very low	40.4	Very low	116 Å²	116	113.3 Å²	113.3	61%	0.607	65%	0.646	S	S	*	*	H	α-helix	trans	-64.3	-47.3	173.2	-76.1	164.4	0	0	0	111.8	M179 L180 S185 N186	M179-L183 HydrophobicContact CG-CD1 4.45Å; M179-L183 PolarHBondContact O-N 2.98Å; L180-L183 PolarHBondContact O-N 3.33Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 2.96Å; L183-N186 PolarHBondContact O-N 3.38Å
184	L	43.6	Very low	39.4	Very low	121 Å²	121	118.6 Å²	118.6	63%	0.634	66%	0.661	S	S	*	*	H	α-helix	trans	-64.2	-32.6	177.6	-73.1	173.2	0	0	0	113.2	L180 A181 N186 M187	L180-L184 HydrophobicContact CD2-CD1 3.66Å; L180-L184 HydrophobicContact CD2-CG 4.37Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 2.94Å; A181-L184 PolarHBondContact O-N 3.37Å; L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 2.83Å; L184-M187 PolarHBondContact O-N 3.37Å
185	S	39.9	Very low	38.1	Very low	85 Å²	85	123.4 Å²	123.4	59%	0.594	67%	0.674	S	S	*	*	H	α-helix	trans	-68.1	-22.3	176.5	64.8	0	0	0	0	114.4	A181 T182 L183	A181-S185 WeakPolarHBondContact O-CB 3.22Å; A181-S185 PolarHBondContact O-N 3Å; A181-S185 PolarHBondContact O-OG 3.01Å; T182-S185 WeakPolarHBondContact CA-OG 3.45Å; T182-S185 PolarHBondContact O-N 3.05Å; T182-S185 PolarHBondContact O-OG 3.48Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 2.96Å
186	N	36.7	Very low	36.9	Very low	124 Å²	124	122.3 Å²	122.3	66%	0.663	69%	0.685	S	S	*	*	H	α-helix	trans	-91.7	-7.5	-178.7	-76.3	-64.3	0	0	0	113.7	T182 L183 L184 K188	T182-N186 PolarHBondContact O-N 3.31Å; T182-N186 PolarHBondContact O-ND2 3.2Å; L183-N186 PolarHBondContact O-N 3.38Å; L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 2.83Å; N186-K188 PolarHBondContact O-N 3.47Å
187	M	31.3	Very low	35.6	Very low	165 Å²	165	128.1 Å²	128.1	81%	0.813	70%	0.703	S	S	*	*			trans	-100.9	57.3	-177.5	-71.3	-66.1	-75.5	0	0	112.7	L184	L184-M187 PolarHBondContact O-N 3.37Å
188	K	28.5	Very low	34.9	Very low	201 Å²	201	130.9 Å²	130.9	87%	0.874	72%	0.716	S	S	*	*			trans	-137.4	119.4	170.3	-126.6	174.8	-174.9	175.1	0	112.3	N186	N186-K188 PolarHBondContact O-N 3.47Å
189	Q	35.6	Very low	33.7	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	74%	0.739	S	S	*	*			trans	-71.5	148.6	-170.5	-62.1	171.6	-30.7	0	0	114.1
190	P	26.6	Very low	32.8	Very low	130 Å²	130	133.9 Å²	133.9	84%	0.844	74%	0.741	S	S	*	*			trans	-81.3	151.4	147.3	35.1	-31	0	0	0	110.6
191	A	26.7	Very low	31.9	Very low	97 Å²	97	139.4 Å²	139.4	80%	0.802	76%	0.761	S	S	*	*			trans	-136.8	127.2	-174.2	0	0	0	0	0	114.4
192	S	26.6	Very low	31.3	Very low	128 Å²	128	145.4 Å²	145.4	90%	0.895	78%	0.779	S	S	*	*			trans	-167.2	148.9	160.6	50.4	0	0	0	0	108.4
193	A	27.6	Very low	30.3	Very low	103 Å²	103	147.4 Å²	147.4	85%	0.851	79%	0.791	S	S	*	*			cis	-126.7	-179.9	12.1	0	0	0	0	0	113.3
194	R	30.3	Very low	29.5	Very low	233 Å²	233	150.4 Å²	150.4	88%	0.879	80%	0.802	S	S	*	*			trans	-153.1	149.4	-179	-177.1	179.7	179.6	-169.2	2	112.3
195	R	28.6	Very low	28.6	Very low	217 Å²	217	152.1 Å²	152.1	82%	0.819	81%	0.812	S	S	*	*			trans	81.7	138.3	170.3	-166.3	-170.1	-64	-116.2	4.3	114
196	G	27.1	Very low	27.8	Very low	69 Å²	69	157.5 Å²	157.5	71%	0.711	83%	0.825	S	S	*	*			cis	-141.1	-169.3	-4.7	0	0	0	0	0	110.4
197	E	25.8	Very low	27.3	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	83%	0.833	S	S	*	*			cis	-149.9	-179.8	0.9	-139.7	150.1	-135.1	0	0	109.7
198	T	29.1	Very low	27.2	Very low	127 Å²	127	159.4 Å²	159.4	78%	0.779	84%	0.838	S	S	*	*			trans	-99	147.9	-161.3	48.3	0	0	0	0	115.9
199	E	24.4	Very low	27.4	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	83%	0.828	S	S	*	*				-161.1	176.4	115	-110.6	171	-152.1	0	0	112.9
200	S	25.8	Very low	27.8	Very low	98 Å²	98	152.1 Å²	152.1	69%	0.685	82%	0.824	S	S	*	*			trans	-101.4	147.8	-149.3	60.1	0	0	0	0	117.2
201	F	22.2	Very low	28.2	Very low	224 Å²	224	155.3 Å²	155.3	98%	0.982	83%	0.828	S	S	*	*			trans	-143.9	156.7	137.8	-92.9	-73.6	0	0	0	110.7
202	Q	32.4	Very low	28.8	Very low	184 Å²	184	155.1 Å²	155.1	86%	0.86	82%	0.817	S	S	*	*			trans	-132.1	111.9	-164.1	176.4	-166	24.1	0	0	111.5
203	V	24.6	Very low	29.8	Very low	125 Å²	125	152.7 Å²	152.7	76%	0.758	80%	0.797	S	S	*	*			trans	-146.8	112.5	168.9	-170.3	0	0	0	0	112.1
204	Q	26.9	Very low	31	Very low	179 Å²	179	152.3 Å²	152.3	84%	0.836	79%	0.788	S	S	*	*			trans	58.8	145.1	149.3	-64.4	168.2	-16.3	0	0	122.6
205	D	24.8	Very low	31.8	Very low	157 Å²	157	148.7 Å²	148.7	84%	0.84	78%	0.783	S	S	*	*			trans	-64.8	142.2	-178.9	-70.2	-68.4	0	0	0	114.8
206	F	23	Very low	33.2	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.864	77%	0.767	S	S	*	*			trans	-120.9	108.7	147	-79.4	-84.6	0	0	0	108.7
207	S	25.3	Very low	34.6	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	76%	0.756	S	S	*	*			trans	-78.4	120.5	175.7	-171.3	0	0	0	0	110.1	G209	S207-G209 PolarHBondContact O-N 2.79Å; S207-G209 VanDerWaalsContact O-N 3.14Å
208	F	28.4	Very low	36.2	Very low	210 Å²	210	138.3 Å²	138.3	92%	0.921	74%	0.736	S	S	*	*			trans	-71.9	103.1	174.8	-93.2	-101.6	0	0	0	110.5
209	G	33.8	Very low	37.8	Very low	63 Å²	63	137 Å²	137	65%	0.649	72%	0.722	S	S	*	*			trans	-95.3	163.9	165.5	0	0	0	0	0	112.5	S207	S207-G209 PolarHBondContact O-N 2.79Å; S207-G209 VanDerWaalsContact O-N 3.14Å
210	Q	43	Very low	40	Very low	165 Å²	165	132.8 Å²	132.8	77%	0.771	71%	0.706	S	S	*	*			trans	77.5	58.5	161.6	-155.3	168.9	4.6	0	0	118.5	T213	Q210-T213 HydrophobicContact CG-CG2 4.39Å
211	E	36.7	Very low	42.1	Very low	196 Å²	196	133.2 Å²	133.2	92%	0.916	70%	0.695	S	S	*	*	S	Bend	trans	-126.8	8.4	152	-150.5	171.8	-143.3	0	0	113.5
212	T	38.7	Very low	44.6	Very low	94 Å²	94	127.2 Å²	127.2	58%	0.577	67%	0.672	S	S	*	*	S	Bend	trans	-92.8	-27.4	-179.8	58.1	0	0	0	0	114.4	S214 M215 D216	T212-S214 PolarHBondContact O-N 3.46Å; T212-M215 PolarHBondContact O-N 3.08Å; T212-D216 PolarHBondContact O-N 3.46Å
213	T	47.3	Very low	46.3	Very low	77 Å²	77	121.9 Å²	121.9	47%	0.472	65%	0.65	S	S	.	*	H	α-helix	trans	-61.2	-27.8	-163.9	53.7	0	0	0	0	114.6	Q210 M215 E217	Q210-T213 HydrophobicContact CG-CG2 4.39Å; T213-M215 VanDerWaalsContact C-N 3.34Å; T213-M215 PolarHBondContact O-N 3.25Å; T213-E217 WeakPolarHBondContact O-CB 3.47Å; T213-E217 PolarHBondContact O-N 3.36Å
214	S	52.4	Low	48.7	Very low	94 Å²	94	122.4 Å²	122.4	66%	0.657	64%	0.644	S	S	*	*	H	α-helix	trans	-62	-39.8	176.3	179.6	0	0	0	0	112.5	T212 A218	T212-S214 PolarHBondContact O-N 3.46Å; S214-A218 PolarHBondContact O-N 3.44Å; S214-A218 VanDerWaalsContact O-N 3.12Å
215	M	47.7	Very low	50.9	Low	158 Å²	158	118.6 Å²	118.6	78%	0.778	63%	0.633	S	S	*	*	H	α-helix	trans	-79.3	-36.5	-176.4	-144.3	170.5	-155.7	0	0	111.6	T212 T213 A218 M219	T212-M215 PolarHBondContact O-N 3.08Å; T213-M215 VanDerWaalsContact C-N 3.34Å; T213-M215 PolarHBondContact O-N 3.25Å; M215-A218 PolarHBondContact O-N 3.48Å; M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 PolarHBondContact O-N 3.46Å
216	D	57	Low	53.6	Low	89 Å²	89	114.8 Å²	114.8	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-64.5	-39.8	172.2	-64.5	-46	0	0	0	111.7	T212 M219 N220	T212-D216 PolarHBondContact O-N 3.46Å; D216-M219 PolarHBondContact O-N 3.24Å; D216-N220 WeakPolarHBondContact O-CB 3.27Å; D216-N220 VanDerWaalsContact O-CG 3.32Å; D216-N220 PolarHBondContact O-N 2.97Å; D216-N220 PolarHBondContact O-ND2 3.15Å
217	E	56.9	Low	56.4	Low	107 Å²	107	110.2 Å²	110.2	50%	0.5	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-38.8	175.4	-164.7	-173.6	163.8	0	0	111.8	T213 K221	T213-E217 WeakPolarHBondContact O-CB 3.47Å; T213-E217 PolarHBondContact O-N 3.36Å; E217-K221 HydrophobicContact CG-CD 4.47Å; E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 3.15Å; E217-K221 VanDerWaalsContact OE1-CE 3.27Å; E217-K221 WeakPolarHBondContact OE1-CE 3.29Å; E217-K221 IonicContact OE1-NZ 3.14Å; E217-K221 PolarHBondContact OE1-NZ 2.9Å
218	A	59.7	Low	59	Low	47 Å²	47	108.4 Å²	108.4	39%	0.388	58%	0.581	S	S	.	*	H	α-helix	trans	-65.8	-44	173.6	0	0	0	0	0	112.2	S214 M215 K221 I222	S214-A218 PolarHBondContact O-N 3.44Å; S214-A218 VanDerWaalsContact O-N 3.12Å; M215-A218 PolarHBondContact O-N 3.48Å; A218-K221 PolarHBondContact O-N 2.74Å; A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 2.56Å
219	M	62.6	Low	61.1	Low	100 Å²	100	104 Å²	104	49%	0.493	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-44.9	176.7	-169.3	98.2	-66.1	0	0	111.3	M215 D216 K221 I222 N223	M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 PolarHBondContact O-N 3.46Å; D216-M219 PolarHBondContact O-N 3.24Å; M219-K221 VanDerWaalsContact C-N 3.35Å; M219-K221 PolarHBondContact O-N 2.79Å; M219-I222 HydrophobicContact CE-CD1 4.35Å; M219-I222 PolarHBondContact O-N 3.33Å; M219-N223 VanDerWaalsContact O-CG 3.22Å; M219-N223 PolarHBondContact O-N 3.1Å; M219-N223 PolarHBondContact O-ND2 3.22Å; M219-N223 PolarHBondContact O-OD1 2.96Å
220	N	71.3	Confident	63.2	Low	104 Å²	104	106.7 Å²	106.7	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-62.7	-38.6	176.4	-76.8	-42.9	0	0	0	112.6	D216 N223 Q224	D216-N220 WeakPolarHBondContact O-CB 3.27Å; D216-N220 VanDerWaalsContact O-CG 3.32Å; D216-N220 PolarHBondContact O-N 2.97Å; D216-N220 PolarHBondContact O-ND2 3.15Å; N220-N223 PolarHBondContact O-N 3.2Å; N220-Q224 VanDerWaalsContact O-CB 3.3Å; N220-Q224 WeakPolarHBondContact O-CB 3.5Å; N220-Q224 PolarHBondContact O-N 3.37Å
221	K	69.5	Low	65.3	Low	108 Å²	108	101.6 Å²	101.6	47%	0.47	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-36.7	174.3	-73.5	169.6	-174.6	169.8	0	112.6	E217 A218 M219 V225	E217-K221 HydrophobicContact CG-CD 4.47Å; E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 3.15Å; E217-K221 VanDerWaalsContact OE1-CE 3.27Å; E217-K221 WeakPolarHBondContact OE1-CE 3.29Å; E217-K221 IonicContact OE1-NZ 3.14Å; E217-K221 PolarHBondContact OE1-NZ 2.9Å; A218-K221 PolarHBondContact O-N 2.74Å; M219-K221 VanDerWaalsContact C-N 3.35Å; M219-K221 PolarHBondContact O-N 2.79Å; K221-V225 WeakPolarHBondContact O-CG2 3.2Å; K221-V225 PolarHBondContact O-N 2.89Å
222	I	75.6	Confident	67.3	Low	97 Å²	97	97.5 Å²	97.5	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-66.1	-43.1	174.8	-71.1	164.9	0	0	0	110.8	A218 M219 V225 T226	A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 2.56Å; M219-I222 HydrophobicContact CE-CD1 4.35Å; M219-I222 PolarHBondContact O-N 3.33Å; I222-V225 PolarHBondContact O-N 3.28Å; I222-T226 PolarHBondContact O-N 2.94Å; I222-T226 PolarHBondContact O-OG1 3.4Å
223	N	67.6	Low	69.3	Low	73 Å²	73	96.1 Å²	96.1	39%	0.39	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-48.3	175	-65	-15.4	0	0	0	110.7	M219 N220 V225 T226 D227	M219-N223 VanDerWaalsContact O-CG 3.22Å; M219-N223 PolarHBondContact O-N 3.1Å; M219-N223 PolarHBondContact O-ND2 3.22Å; M219-N223 PolarHBondContact O-OD1 2.96Å; N220-N223 PolarHBondContact O-N 3.2Å; N223-V225 VanDerWaalsContact C-N 3.3Å; N223-V225 PolarHBondContact O-N 2.98Å; N223-T226 CarbonylContact O-C 3.57Å; N223-T226 WeakPolarHBondContact O-CA 3.34Å; N223-T226 VanDerWaalsContact O-CB 3.29Å; N223-T226 WeakPolarHBondContact O-CB 3.33Å; N223-T226 PolarHBondContact O-N 3.03Å; N223-D227 VanDerWaalsContact O-CG 3.27Å; N223-D227 PolarHBondContact O-N 3.49Å
224	Q	73.8	Confident	70.7	Confident	135 Å²	135	96.9 Å²	96.9	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-58.7	-36.4	177.4	-174.7	174.6	47.1	0	0	113.6	N220 D228	N220-Q224 VanDerWaalsContact O-CB 3.3Å; N220-Q224 WeakPolarHBondContact O-CB 3.5Å; N220-Q224 PolarHBondContact O-N 3.37Å; Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 3.35Å; Q224-D228 VanDerWaalsContact O-N 3.1Å
225	V	74.9	Confident	72.3	Confident	100 Å²	100	97.3 Å²	97.3	61%	0.606	51%	0.513	S	S	*	.	H	α-helix	trans	-72	-32.3	173.4	169	0	0	0	0	111.8	K221 I222 N223 L229	K221-V225 WeakPolarHBondContact O-CG2 3.2Å; K221-V225 PolarHBondContact O-N 2.89Å; I222-V225 PolarHBondContact O-N 3.28Å; N223-V225 VanDerWaalsContact C-N 3.3Å; N223-V225 PolarHBondContact O-N 2.98Å; V225-L229 VanDerWaalsContact O-CB 3.24Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 PolarHBondContact O-N 3.03Å
226	T	80.6	Confident	73.7	Confident	76 Å²	76	95 Å²	95	47%	0.466	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-47.2	174.4	-54.3	0	0	0	0	110.5	I222 N223 D228 L229 E230	I222-T226 PolarHBondContact O-N 2.94Å; I222-T226 PolarHBondContact O-OG1 3.4Å; N223-T226 CarbonylContact O-C 3.57Å; N223-T226 WeakPolarHBondContact O-CA 3.34Å; N223-T226 VanDerWaalsContact O-CB 3.29Å; N223-T226 WeakPolarHBondContact O-CB 3.33Å; N223-T226 PolarHBondContact O-N 3.03Å; T226-D228 PolarHBondContact O-N 2.95Å; T226-L229 PolarHBondContact O-N 2.71Å; T226-E230 PolarHBondContact O-N 2.87Å
227	D	81.2	Confident	74.6	Confident	102 Å²	102	94.5 Å²	94.5	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-42.9	178.2	-59.6	-21.8	0	0	0	112	N223 L229 E230 S231	N223-D227 VanDerWaalsContact O-CG 3.27Å; N223-D227 PolarHBondContact O-N 3.49Å; D227-L229 VanDerWaalsContact C-N 3.33Å; D227-E230 PolarHBondContact O-N 3.34Å; D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.45Å
228	D	80.3	Confident	75.8	Confident	81 Å²	81	93 Å²	93	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-28.6	177.2	-171.8	45.1	0	0	0	112.3	Q224 T226 K232	Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 3.35Å; Q224-D228 VanDerWaalsContact O-N 3.1Å; T226-D228 PolarHBondContact O-N 2.95Å; D228-K232 VanDerWaalsContact CG-CE 3.43Å; D228-K232 WeakPolarHBondContact O-CB 3.38Å; D228-K232 WeakPolarHBondContact O-CE 3.22Å; D228-K232 VanDerWaalsContact O-CG 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 2.97Å; D228-K232 IonicContact OD1-NZ 3.59Å; D228-K232 PolarHBondContact OD1-NZ 3.26Å; D228-K232 WeakPolarHBondContact OD2-CE 3.5Å; D228-K232 IonicContact OD2-NZ 3.73Å; D228-K232 PolarHBondContact OD2-NZ 3.36Å
229	L	71.9	Confident	76.6	Confident	119 Å²	119	95.1 Å²	95.1	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-74.4	-42.1	173.6	-173.6	63.4	0	0	0	112	V225 T226 D227 K232 S233	V225-L229 VanDerWaalsContact O-CB 3.24Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 PolarHBondContact O-N 3.03Å; T226-L229 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.33Å; L229-K232 PolarHBondContact O-N 3.08Å; L229-S233 WeakPolarHBondContact O-CB 3.27Å; L229-S233 PolarHBondContact O-N 3.39Å
230	E	79.4	Confident	77.5	Confident	119 Å²	119	94 Å²	94	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-43.7	173	-179.1	166.6	-157.5	0	0	111	T226 D227 K232 S233 N234	T226-E230 PolarHBondContact O-N 2.87Å; D227-E230 PolarHBondContact O-N 3.34Å; E230-K232 VanDerWaalsContact C-N 3.35Å; E230-K232 PolarHBondContact O-N 3.37Å; E230-S233 WeakPolarHBondContact O-CB 3.43Å; E230-S233 PolarHBondContact O-N 3Å; E230-S233 VanDerWaalsContact O-N 3.15Å; E230-N234 WeakPolarHBondContact O-CB 3.37Å; E230-N234 PolarHBondContact O-N 2.8Å; E230-N234 PolarHBondContact O-ND2 3Å; E230-N234 VanDerWaalsContact O-ND2 3.16Å
231	S	85.6	Confident	77.9	Confident	58 Å²	58	92.3 Å²	92.3	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-54.9	-46.5	172.7	-176.9	0	0	0	0	112.3	D227 N234 I235	D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.45Å; S231-N234 PolarHBondContact O-N 3.07Å; S231-I235 VanDerWaalsContact O-CG1 3.31Å; S231-I235 WeakPolarHBondContact O-CG1 3.47Å; S231-I235 PolarHBondContact O-N 2.92Å
232	K	78.7	Confident	78.5	Confident	109 Å²	109	93.4 Å²	93.4	47%	0.474	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-37.5	175.2	-73	178.3	-132	-54.7	0	113.2	D228 L229 E230 I235 L236	D228-K232 VanDerWaalsContact CG-CE 3.43Å; D228-K232 WeakPolarHBondContact O-CB 3.38Å; D228-K232 WeakPolarHBondContact O-CE 3.22Å; D228-K232 VanDerWaalsContact O-CG 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 2.97Å; D228-K232 IonicContact OD1-NZ 3.59Å; D228-K232 PolarHBondContact OD1-NZ 3.26Å; D228-K232 WeakPolarHBondContact OD2-CE 3.5Å; D228-K232 IonicContact OD2-NZ 3.73Å; D228-K232 PolarHBondContact OD2-NZ 3.36Å; L229-K232 PolarHBondContact O-N 3.08Å; E230-K232 VanDerWaalsContact C-N 3.35Å; E230-K232 PolarHBondContact O-N 3.37Å; K232-I235 PolarHBondContact O-N 3.09Å; K232-L236 WeakPolarHBondContact O-CB 3.25Å; K232-L236 PolarHBondContact O-N 2.93Å
233	S	80.4	Confident	78.7	Confident	65 Å²	65	93 Å²	93	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-42.5	175.4	-169.2	0	0	0	0	111.7	L229 E230 L236 T237	L229-S233 WeakPolarHBondContact O-CB 3.27Å; L229-S233 PolarHBondContact O-N 3.39Å; E230-S233 WeakPolarHBondContact O-CB 3.43Å; E230-S233 PolarHBondContact O-N 3Å; E230-S233 VanDerWaalsContact O-N 3.15Å; S233-L236 PolarHBondContact O-N 3.44Å; S233-T237 PolarHBondContact O-N 2.88Å; S233-T237 PolarHBondContact O-OG1 2.95Å
234	N	78.8	Confident	78.9	Confident	93 Å²	93	94.4 Å²	94.4	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-41	176.2	-71.1	-36.1	0	0	0	111.9	E230 S231 L236 T237 D238	E230-N234 WeakPolarHBondContact O-CB 3.37Å; E230-N234 PolarHBondContact O-N 2.8Å; E230-N234 PolarHBondContact O-ND2 3Å; E230-N234 VanDerWaalsContact O-ND2 3.16Å; S231-N234 PolarHBondContact O-N 3.07Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.06Å; N234-T237 PolarHBondContact O-N 3.49Å; N234-D238 PolarHBondContact O-N 2.93Å
235	I	84.8	Confident	79.2	Confident	103 Å²	103	93.2 Å²	93.2	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-40.3	172.9	-68.9	164.6	0	0	0	111.5	S231 K232 L239	S231-I235 VanDerWaalsContact O-CG1 3.31Å; S231-I235 WeakPolarHBondContact O-CG1 3.47Å; S231-I235 PolarHBondContact O-N 2.92Å; K232-I235 PolarHBondContact O-N 3.09Å; I235-L239 WeakPolarHBondContact O-CB 3.43Å; I235-L239 PolarHBondContact O-N 3.38Å
236	L	77	Confident	79.2	Confident	110 Å²	110	94.1 Å²	94.1	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-40.1	177.2	-171.1	67.6	0	0	0	111.5	K232 S233 N234 L239 V240	K232-L236 WeakPolarHBondContact O-CB 3.25Å; K232-L236 PolarHBondContact O-N 2.93Å; S233-L236 PolarHBondContact O-N 3.44Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.06Å; L236-L239 WeakPolarHBondContact O-CB 3.34Å; L236-L239 PolarHBondContact O-N 3.44Å; L236-V240 WeakPolarHBondContact O-CG2 3.41Å; L236-V240 PolarHBondContact O-N 3.32Å
237	T	75.7	Confident	78.7	Confident	79 Å²	79	95.6 Å²	95.6	49%	0.485	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-41.9	177.7	-55.7	0	0	0	0	112	S233 N234 L239 V240 S241	S233-T237 PolarHBondContact O-N 2.88Å; S233-T237 PolarHBondContact O-OG1 2.95Å; N234-T237 PolarHBondContact O-N 3.49Å; T237-L239 VanDerWaalsContact C-N 3.34Å; T237-V240 PolarHBondContact O-N 3.46Å; T237-S241 WeakPolarHBondContact O-CB 3.33Å; T237-S241 PolarHBondContact O-N 2.89Å; T237-S241 PolarHBondContact O-OG 3.46Å
238	D	81.7	Confident	78.2	Confident	75 Å²	75	95.2 Å²	95.2	40%	0.401	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-34.6	172.7	172.3	75.3	0	0	0	112.1	N234 S241 R242	N234-D238 PolarHBondContact O-N 2.93Å; D238-S241 PolarHBondContact O-N 3.29Å; D238-R242 WeakPolarHBondContact O-CB 3.34Å; D238-R242 WeakPolarHBondContact O-CG 3.46Å; D238-R242 PolarHBondContact O-N 2.96Å; D238-R242 IonicContact OD1-NE 2.84Å; D238-R242 IonicContact OD2-CZ 3.47Å; D238-R242 IonicContact OD2-NE 2.77Å; D238-R242 PolarHBondContact OD2-NE 3.12Å; D238-R242 IonicContact OD2-NH2 3.07Å; D238-R242 PolarHBondContact OD2-NH2 2.87Å
239	L	78.4	Confident	77.6	Confident	92 Å²	92	95.6 Å²	95.6	48%	0.482	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-44.6	175.3	-160.9	75.5	0	0	0	111.7	I235 L236 T237 R242 V243	I235-L239 WeakPolarHBondContact O-CB 3.43Å; I235-L239 PolarHBondContact O-N 3.38Å; L236-L239 WeakPolarHBondContact O-CB 3.34Å; L236-L239 PolarHBondContact O-N 3.44Å; T237-L239 VanDerWaalsContact C-N 3.34Å; L239-R242 PolarHBondContact O-N 2.97Å; L239-V243 WeakPolarHBondContact O-CG2 2.97Å; L239-V243 PolarHBondContact O-N 3.18Å
240	V	80.1	Confident	77.7	Confident	77 Å²	77	94 Å²	94	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-48.8	172.5	171.5	0	0	0	0	110.7	L236 T237 R242 V243 D244	L236-V240 WeakPolarHBondContact O-CG2 3.41Å; L236-V240 PolarHBondContact O-N 3.32Å; T237-V240 PolarHBondContact O-N 3.46Å; V240-R242 PolarHBondContact O-N 3.22Å; V240-R242 VanDerWaalsContact O-N 3.16Å; V240-V243 WeakPolarHBondContact O-CA 3.49Å; V240-V243 WeakPolarHBondContact O-CB 3.28Å; V240-V243 PolarHBondContact O-N 2.65Å; V240-D244 PolarHBondContact O-N 3.2Å
241	S	79.9	Confident	77.2	Confident	67 Å²	67	93.3 Å²	93.3	47%	0.469	48%	0.483	S	S	.	.	H	α-helix	trans	-56.6	-33.9	177.1	-55.8	0	0	0	0	112.6	T237 D238 H245	T237-S241 WeakPolarHBondContact O-CB 3.33Å; T237-S241 PolarHBondContact O-N 2.89Å; T237-S241 PolarHBondContact O-OG 3.46Å; D238-S241 PolarHBondContact O-N 3.29Å; S241-H245 PolarHBondContact O-N 2.86Å
242	R	82.6	Confident	76.4	Confident	132 Å²	132	94.3 Å²	94.3	50%	0.498	48%	0.483	S	S	.	.	H	α-helix	trans	-78.7	-29.3	174.3	-73.6	-170	-81.4	145.7	-5.3	113.2	D238 L239 V240 H246	D238-R242 WeakPolarHBondContact O-CB 3.34Å; D238-R242 WeakPolarHBondContact O-CG 3.46Å; D238-R242 PolarHBondContact O-N 2.96Å; D238-R242 IonicContact OD1-NE 2.84Å; D238-R242 IonicContact OD2-CZ 3.47Å; D238-R242 IonicContact OD2-NE 2.77Å; D238-R242 PolarHBondContact OD2-NE 3.12Å; D238-R242 IonicContact OD2-NH2 3.07Å; D238-R242 PolarHBondContact OD2-NH2 2.87Å; L239-R242 PolarHBondContact O-N 2.97Å; V240-R242 PolarHBondContact O-N 3.22Å; V240-R242 VanDerWaalsContact O-N 3.16Å; R242-H246 PolarHBondContact O-N 3.34Å; R242-H246 PolarHBondContact O-ND1 3Å
243	V	79.3	Confident	75.5	Confident	88 Å²	88	94.6 Å²	94.6	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-49.8	171.2	170.2	0	0	0	0	110.3	L239 V240 H245 H246 D247	L239-V243 WeakPolarHBondContact O-CG2 2.97Å; L239-V243 PolarHBondContact O-N 3.18Å; V240-V243 WeakPolarHBondContact O-CA 3.49Å; V240-V243 WeakPolarHBondContact O-CB 3.28Å; V240-V243 PolarHBondContact O-N 2.65Å; V243-H245 PolarHBondContact O-N 2.73Å; V243-H246 PolarHBondContact O-N 2.83Å; V243-D247 PolarHBondContact O-N 2.92Å
244	D	72.6	Confident	74.7	Confident	103 Å²	103	97.2 Å²	97.2	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-56.1	-38.3	177.2	-67.6	-9.3	0	0	0	111.8	V240 D247 E248	V240-D244 PolarHBondContact O-N 3.2Å; D244-D247 PolarHBondContact O-N 3.45Å; D244-E248 PolarHBondContact O-N 2.99Å; D244-E248 VanDerWaalsContact O-N 3.12Å
245	H	80.2	Confident	73.7	Confident	109 Å²	109	98.2 Å²	98.2	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-40.8	174.6	-171.7	77.3	0	0	0	112.9	S241 V243 Q249	S241-H245 PolarHBondContact O-N 2.86Å; V243-H245 PolarHBondContact O-N 2.73Å; H245-Q249 PolarHBondContact NE2-NE2 2.05Å; H245-Q249 VanDerWaalsContact O-CG 3.24Å; H245-Q249 WeakPolarHBondContact O-CG 3.46Å; H245-Q249 PolarHBondContact O-N 3.19Å; H245-Q249 VanDerWaalsContact O-N 3.16Å
246	H	74.6	Confident	72.1	Confident	119 Å²	119	97.6 Å²	97.6	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-69.3	-35	176.4	-70.9	96.5	0	0	0	111.8	R242 V243 Q249 I250	R242-H246 PolarHBondContact O-N 3.34Å; R242-H246 PolarHBondContact O-ND1 3Å; V243-H246 PolarHBondContact O-N 2.83Å; H246-Q249 PolarHBondContact O-N 3.43Å; H246-I250 WeakPolarHBondContact O-CB 3.36Å; H246-I250 VanDerWaalsContact O-CG1 3.27Å; H246-I250 WeakPolarHBondContact O-CG1 3.28Å; H246-I250 PolarHBondContact O-N 3.26Å
247	D	70	Confident	70.6	Confident	108 Å²	108	97.1 Å²	97.1	58%	0.578	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-40.4	178.3	-127.7	42.8	0	0	0	111.6	V243 D244 I250 R251	V243-D247 PolarHBondContact O-N 2.92Å; D244-D247 PolarHBondContact O-N 3.45Å; D247-I250 PolarHBondContact O-N 2.94Å; D247-R251 WeakPolarHBondContact O-CB 3.33Å; D247-R251 PolarHBondContact O-N 2.88Å
248	E	71	Confident	69.2	Low	93 Å²	93	101 Å²	101	44%	0.435	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-38	170.7	-87.4	-65.6	128	0	0	113	D244 I250 R251 L252	D244-E248 PolarHBondContact O-N 2.99Å; D244-E248 VanDerWaalsContact O-N 3.12Å; E248-I250 VanDerWaalsContact C-N 3.35Å; E248-R251 VanDerWaalsContact CD-NE 3.34Å; E248-R251 WeakPolarHBondContact O-CB 3.38Å; E248-R251 PolarHBondContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 3.77Å; E248-R251 IonicContact OE1-NE 3.82Å; E248-R251 PolarHBondContact OE1-NE 2.77Å; E248-R251 IonicContact OE1-NH2 2.73Å; E248-R251 IonicContact OE2-CZ 2.67Å; E248-R251 IonicContact OE2-NE 3.87Å; E248-R251 PolarHBondContact OE2-NE 2.72Å; E248-R251 IonicContact OE2-NH2 3.5Å; E248-R251 PolarHBondContact OE2-NH2 2.91Å; E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 2.9Å
249	Q	68.3	Low	67.4	Low	89 Å²	89	104 Å²	104	42%	0.416	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-38.9	174.1	-64.1	-73.4	1	0	0	111.6	H245 H246 L252 L253	H245-Q249 PolarHBondContact NE2-NE2 2.05Å; H245-Q249 VanDerWaalsContact O-CG 3.24Å; H245-Q249 WeakPolarHBondContact O-CG 3.46Å; H245-Q249 PolarHBondContact O-N 3.19Å; H245-Q249 VanDerWaalsContact O-N 3.16Å; H246-Q249 PolarHBondContact O-N 3.43Å; Q249-L252 PolarHBondContact O-N 2.87Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.38Å
250	I	72.7	Confident	65.9	Low	87 Å²	87	105.3 Å²	105.3	45%	0.446	55%	0.547	S	S	.	.	H	α-helix	trans	-64.5	-41.6	173.6	-70.5	163.5	0	0	0	110.4	H246 D247 E248 L252 L253 L254	H246-I250 WeakPolarHBondContact O-CB 3.36Å; H246-I250 VanDerWaalsContact O-CG1 3.27Å; H246-I250 WeakPolarHBondContact O-CG1 3.28Å; H246-I250 PolarHBondContact O-N 3.26Å; D247-I250 PolarHBondContact O-N 2.94Å; E248-I250 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 3.2Å; I250-L253 PolarHBondContact O-N 3.3Å; I250-L254 HydrophobicContact CG2-CD1 4.08Å; I250-L254 PolarHBondContact O-N 2.92Å
251	R	70.3	Confident	63.9	Low	104 Å²	104	107.7 Å²	107.7	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-60.5	-42.7	175.1	-159	-174	62.8	59	12.1	111.7	D247 E248 L254 E255	D247-R251 WeakPolarHBondContact O-CB 3.33Å; D247-R251 PolarHBondContact O-N 2.88Å; E248-R251 VanDerWaalsContact CD-NE 3.34Å; E248-R251 WeakPolarHBondContact O-CB 3.38Å; E248-R251 PolarHBondContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 3.77Å; E248-R251 IonicContact OE1-NE 3.82Å; E248-R251 PolarHBondContact OE1-NE 2.77Å; E248-R251 IonicContact OE1-NH2 2.73Å; E248-R251 IonicContact OE2-CZ 2.67Å; E248-R251 IonicContact OE2-NE 3.87Å; E248-R251 PolarHBondContact OE2-NE 2.72Å; E248-R251 IonicContact OE2-NH2 3.5Å; E248-R251 PolarHBondContact OE2-NH2 2.91Å; R251-L254 PolarHBondContact O-N 3.49Å; R251-E255 IonicContact CZ-OE2 3.39Å; R251-E255 IonicContact NH1-OE2 3.45Å; R251-E255 PolarHBondContact NH1-OE2 3.1Å; R251-E255 WeakPolarHBondContact O-CB 3.29Å; R251-E255 PolarHBondContact O-N 3.11Å
252	L	68.6	Low	61.6	Low	78 Å²	78	109.4 Å²	109.4	41%	0.408	58%	0.576	S	S	.	*	H	α-helix	trans	-67.6	-33	176.5	-69.9	169.2	0	0	0	113.3	E248 Q249 I250 E255 T256	E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 2.9Å; Q249-L252 PolarHBondContact O-N 2.87Å; I250-L252 PolarHBondContact O-N 3.2Å; L252-E255 PolarHBondContact O-N 2.97Å; L252-T256 WeakPolarHBondContact O-CB 3.5Å; L252-T256 PolarHBondContact O-N 2.92Å; L252-T256 PolarHBondContact O-OG1 3.29Å
253	L	59.5	Low	59.3	Low	116 Å²	116	109.6 Å²	109.6	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-70.6	-36.7	173.3	-73.1	165.9	0	0	0	112.4	Q249 I250 T256 S257	Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.38Å; I250-L253 PolarHBondContact O-N 3.3Å; L253-T256 WeakPolarHBondContact CA-OG1 3.45Å; L253-T256 PolarHBondContact O-OG1 3.22Å; L253-S257 PolarHBondContact O-OG 3.06Å
254	L	62.1	Low	56.9	Low	119 Å²	119	109.4 Å²	109.4	62%	0.623	60%	0.6	S	S	*	*	H	α-helix	trans	-66.7	-37.6	170.8	-77.6	161	0	0	0	112.1	I250 R251	I250-L254 HydrophobicContact CG2-CD1 4.08Å; I250-L254 PolarHBondContact O-N 2.92Å; R251-L254 PolarHBondContact O-N 3.49Å
255	E	58.7	Low	54.8	Low	115 Å²	115	113.6 Å²	113.6	54%	0.537	62%	0.616	S	S	.	*	H	α-helix	trans	-75.3	-35.1	-178.5	-166.9	158	-144.7	0	0	112.8	R251 L252 S257	R251-E255 IonicContact CZ-OE2 3.39Å; R251-E255 IonicContact NH1-OE2 3.45Å; R251-E255 PolarHBondContact NH1-OE2 3.1Å; R251-E255 WeakPolarHBondContact O-CB 3.29Å; R251-E255 PolarHBondContact O-N 3.11Å; L252-E255 PolarHBondContact O-N 2.97Å; E255-S257 VanDerWaalsContact C-N 3.25Å; E255-S257 PolarHBondContact O-N 3.16Å
256	T	50.7	Low	53	Low	90 Å²	90	113.9 Å²	113.9	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-71.5	-14.3	175.6	41.5	0	0	0	0	114.4	L252 L253 Q258	L252-T256 WeakPolarHBondContact O-CB 3.5Å; L252-T256 PolarHBondContact O-N 2.92Å; L252-T256 PolarHBondContact O-OG1 3.29Å; L253-T256 WeakPolarHBondContact CA-OG1 3.45Å; L253-T256 PolarHBondContact O-OG1 3.22Å; T256-Q258 PolarHBondContact O-N 2.79Å; T256-Q258 VanDerWaalsContact O-N 3.16Å
257	S	46.3	Very low	50.9	Low	99 Å²	99	112.5 Å²	112.5	69%	0.692	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	2.9	-178.6	-64.8	0	0	0	0	115	L253 E255	L253-S257 PolarHBondContact O-OG 3.06Å; E255-S257 VanDerWaalsContact C-N 3.25Å; E255-S257 PolarHBondContact O-N 3.16Å
258	Q	46.8	Very low	49.4	Very low	161 Å²	161	113.1 Å²	113.1	75%	0.752	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	18.6	-172.2	-61.5	-171.1	49.3	0	0	115.4	T256 P260	T256-Q258 PolarHBondContact O-N 2.79Å; T256-Q258 VanDerWaalsContact O-N 3.16Å; Q258-P260 WeakPolarHBondContact O-CD 3.16Å
259	I	42.7	Very low	48.3	Very low	139 Å²	139	116.2 Å²	116.2	71%	0.713	67%	0.672	S	S	*	*			trans	-107	112.4	-178	-55.2	177.9	0	0	0	111.6	P261	I259-P261 WeakPolarHBondContact O-CD 3.29Å
260	P	47.7	Very low	47.7	Very low	118 Å²	118	114.1 Å²	114.1	77%	0.766	68%	0.675	S	S	*	*			trans	-93.7	120.3	179.8	33.5	-31.7	0	0	0	113.4	Q258	Q258-P260 WeakPolarHBondContact O-CD 3.16Å
261	P	38.2	Very low	46.7	Very low	128 Å²	128	113 Å²	113	83%	0.831	68%	0.684	S	S	*	*			trans	-81	148.9	166.6	33.3	-33.1	0	0	0	111.3	I259	I259-P261 WeakPolarHBondContact O-CD 3.29Å
262	S	31.4	Very low	45.8	Very low	102 Å²	102	112.2 Å²	112.2	71%	0.713	69%	0.688	S	S	*	*			trans	-138.8	134.3	-177.3	-172.2	0	0	0	0	112.1
263	T	33.2	Very low	45.1	Very low	136 Å²	136	112.1 Å²	112.1	83%	0.834	70%	0.699	S	S	*	*			trans	61	145	170.6	57.1	0	0	0	0	118.1
264	A	29.5	Very low	45.1	Very low	84 Å²	84	112.1 Å²	112.1	69%	0.694	70%	0.699	S	S	*	*			cis	-169.7	146.9	-19.5	0	0	0	0	0	109.9
265	Q	29.3	Very low	45	Very low	191 Å²	191	111.6 Å²	111.6	89%	0.893	70%	0.696	S	S	*	*				174.4	162.6	126.1	-98.5	-164.8	-108.7	0	0	111.6
266	P	41.3	Very low	45.4	Very low	116 Å²	116	112.9 Å²	112.9	75%	0.753	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-82.6	157.6	-162.5	32.8	-36.8	0	0	0	114.8
267	A	30.5	Very low	46.4	Very low	89 Å²	89	111.7 Å²	111.7	74%	0.736	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-81.8	149.6	-172.9	0	0	0	0	0	114.5
268	P	38.4	Very low	47.7	Very low	122 Å²	122	114.3 Å²	114.3	79%	0.792	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-73.3	142.2	142.6	33	-29.3	0	0	0	109.6	G270	P268-G270 PolarHBondContact O-N 3.5Å; P268-G270 VanDerWaalsContact O-N 3.08Å
269	T	49.3	Very low	49	Very low	157 Å²	157	110.9 Å²	110.9	96%	0.963	68%	0.678	S	S	*	*	S	Bend	trans	-78.3	92.9	-176.9	48.3	0	0	0	0	112.1
270	G	53.8	Low	50.4	Low	46 Å²	46	109 Å²	109	47%	0.474	67%	0.669	S	S	.	*			trans	-168.1	51.9	179.1	0	0	0	0	0	113.5	P268	P268-G270 PolarHBondContact O-N 3.5Å; P268-G270 VanDerWaalsContact O-N 3.08Å
271	G	52.3	Low	52.2	Low	62 Å²	62	105.2 Å²	105.2	64%	0.639	65%	0.651	S	S	*	*	S	Bend	trans	-92.3	-37.6	-164.7	0	0	0	0	0	117.9
272	D	51.3	Low	54.2	Low	89 Å²	89	104.3 Å²	104.3	48%	0.476	63%	0.634	S	S	.	*	S	Bend	trans	-115.3	-28.5	-167.6	-169.4	22.9	0	0	0	112.9	R276	D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 VanDerWaalsContact O-CG 3.23Å; D272-R276 WeakPolarHBondContact O-CG 3.19Å; D272-R276 PolarHBondContact O-N 3.49Å; D272-R276 VanDerWaalsContact O-N 3.14Å; D272-R276 IonicContact OD1-CZ 2.68Å; D272-R276 IonicContact OD1-NE 2.74Å; D272-R276 PolarHBondContact OD1-NE 2.88Å; D272-R276 IonicContact OD1-NH2 2.63Å; D272-R276 PolarHBondContact OD1-NH2 3.42Å; D272-R276 IonicContact OD2-CZ 3.46Å; D272-R276 IonicContact OD2-NE 2.81Å; D272-R276 PolarHBondContact OD2-NE 2.98Å; D272-R276 IonicContact OD2-NH2 2.64Å; D272-R276 PolarHBondContact OD2-NH2 2.89Å
273	A	55	Low	56.2	Low	76 Å²	76	104.3 Å²	104.3	63%	0.628	63%	0.625	S	S	*	*	H	α-helix	trans	-70.4	-51.6	176.6	0	0	0	0	0	112.1	L275 R276 A277	A273-L275 VanDerWaalsContact C-N 3.32Å; A273-L275 PolarHBondContact O-N 3.28Å; A273-R276 PolarHBondContact O-N 3.47Å; A273-A277 WeakPolarHBondContact O-CB 3.36Å; A273-A277 PolarHBondContact O-N 2.85Å
274	D	58.3	Low	58.1	Low	115 Å²	115	101.2 Å²	101.2	62%	0.615	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-34.3	178.7	-74.1	-10.1	0	0	0	112	A277 Y278	D274-A277 PolarHBondContact O-N 2.99Å; D274-Y278 VanDerWaalsContact O-CB 3.25Å; D274-Y278 WeakPolarHBondContact O-CB 3.23Å; D274-Y278 PolarHBondContact O-N 3.06Å
275	L	60.5	Low	60.6	Low	108 Å²	108	98.9 Å²	98.9	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-69.1	-39.2	178	-149.3	82.5	0	0	0	111.7	A273 L279	A273-L275 VanDerWaalsContact C-N 3.32Å; A273-L275 PolarHBondContact O-N 3.28Å; L275-L279 WeakPolarHBondContact O-CB 3.35Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.18Å; L275-L279 PolarHBondContact O-N 3.21Å
276	R	66.1	Low	62.9	Low	143 Å²	143	94.9 Å²	94.9	54%	0.54	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-45.3	171.8	-70.3	176.5	-160.2	-153.4	8.3	111.7	D272 A273 Y278 L279 D280	D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 VanDerWaalsContact O-CG 3.23Å; D272-R276 WeakPolarHBondContact O-CG 3.19Å; D272-R276 PolarHBondContact O-N 3.49Å; D272-R276 VanDerWaalsContact O-N 3.14Å; D272-R276 IonicContact OD1-CZ 2.68Å; D272-R276 IonicContact OD1-NE 2.74Å; D272-R276 PolarHBondContact OD1-NE 2.88Å; D272-R276 IonicContact OD1-NH2 2.63Å; D272-R276 PolarHBondContact OD1-NH2 3.42Å; D272-R276 IonicContact OD2-CZ 3.46Å; D272-R276 IonicContact OD2-NE 2.81Å; D272-R276 PolarHBondContact OD2-NE 2.98Å; D272-R276 IonicContact OD2-NH2 2.64Å; D272-R276 PolarHBondContact OD2-NH2 2.89Å; A273-R276 PolarHBondContact O-N 3.47Å; R276-Y278 VanDerWaalsContact C-N 3.25Å; R276-Y278 PolarHBondContact O-N 3.11Å; R276-L279 PolarHBondContact O-N 3.4Å; R276-L279 VanDerWaalsContact O-N 3.1Å; R276-D280 WeakPolarHBondContact O-CB 3.48Å; R276-D280 PolarHBondContact O-N 2.89Å
277	A	73.6	Confident	64.3	Low	64 Å²	64	97.5 Å²	97.5	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-59.1	-36.9	175.6	0	0	0	0	0	112.4	A273 D274 G281	A273-A277 WeakPolarHBondContact O-CB 3.36Å; A273-A277 PolarHBondContact O-N 2.85Å; D274-A277 PolarHBondContact O-N 2.99Å; A277-G281 PolarHBondContact O-N 2.9Å
278	Y	73.2	Confident	66.7	Low	154 Å²	154	99.6 Å²	99.6	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-67.2	-44.1	173	-177.3	-92.3	0	0	0	112.6	D274 R276 K282	D274-Y278 VanDerWaalsContact O-CB 3.25Å; D274-Y278 WeakPolarHBondContact O-CB 3.23Å; D274-Y278 PolarHBondContact O-N 3.06Å; R276-Y278 VanDerWaalsContact C-N 3.25Å; R276-Y278 PolarHBondContact O-N 3.11Å; Y278-K282 HydrophobicContact CD1-CG 4.46Å; Y278-K282 HydrophobicContact CE1-CG 4Å; Y278-K282 WeakPolarHBondContact O-CB 3.36Å; Y278-K282 PolarHBondContact O-N 3.39Å
279	L	72.6	Confident	68.8	Low	90 Å²	90	99.8 Å²	99.8	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-68.8	-47.6	178.3	-74.2	169.2	0	0	0	112.2	L275 R276 G281 K282 I283	L275-L279 WeakPolarHBondContact O-CB 3.35Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.18Å; L275-L279 PolarHBondContact O-N 3.21Å; R276-L279 PolarHBondContact O-N 3.4Å; R276-L279 VanDerWaalsContact O-N 3.1Å; L279-G281 VanDerWaalsContact C-N 3.3Å; L279-G281 PolarHBondContact O-N 3.45Å; L279-K282 PolarHBondContact O-N 2.98Å; L279-K282 VanDerWaalsContact O-N 3.16Å; L279-I283 WeakPolarHBondContact O-CB 3.35Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 2.93Å
280	D	72.7	Confident	69.8	Low	98 Å²	98	98.3 Å²	98.3	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-38.1	175.7	-69.3	-30.6	0	0	0	110.8	R276 S284	R276-D280 WeakPolarHBondContact O-CB 3.48Å; R276-D280 PolarHBondContact O-N 2.89Å; D280-S284 VanDerWaalsContact O-CB 3.24Å; D280-S284 WeakPolarHBondContact O-CB 3.31Å; D280-S284 PolarHBondContact O-N 3.26Å; D280-S284 PolarHBondContact O-OG 2.95Å
281	G	85.4	Confident	70.6	Confident	39 Å²	39	100.1 Å²	100.1	40%	0.402	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-43.4	171.3	0	0	0	0	0	112.8	A277 L279 S284 A285	A277-G281 PolarHBondContact O-N 2.9Å; L279-G281 VanDerWaalsContact C-N 3.3Å; L279-G281 PolarHBondContact O-N 3.45Å; G281-S284 PolarHBondContact O-N 2.7Å; G281-A285 WeakPolarHBondContact O-CB 3.49Å; G281-A285 PolarHBondContact O-N 2.96Å
282	K	80.6	Confident	72	Confident	109 Å²	109	103.4 Å²	103.4	47%	0.474	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-39.7	175.4	-91.5	-74.1	176.3	-172.7	0	113.1	Y278 L279 L286	Y278-K282 HydrophobicContact CD1-CG 4.46Å; Y278-K282 HydrophobicContact CE1-CG 4Å; Y278-K282 WeakPolarHBondContact O-CB 3.36Å; Y278-K282 PolarHBondContact O-N 3.39Å; L279-K282 PolarHBondContact O-N 2.98Å; L279-K282 VanDerWaalsContact O-N 3.16Å; K282-L286 WeakPolarHBondContact O-CB 3.25Å; K282-L286 WeakPolarHBondContact O-CG 3.37Å; K282-L286 PolarHBondContact O-N 2.85Å
283	I	73	Confident	73.2	Confident	103 Å²	103	101 Å²	101	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-69.4	-38.8	176.4	-69.8	164.3	0	0	0	110.3	L279 R287	L279-I283 WeakPolarHBondContact O-CB 3.35Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 2.93Å; I283-R287 VanDerWaalsContact O-CB 3.25Å; I283-R287 WeakPolarHBondContact O-CB 3.43Å; I283-R287 PolarHBondContact O-N 3.26Å
284	S	73.6	Confident	73.9	Confident	70 Å²	70	103 Å²	103	49%	0.49	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-48	175.1	-59.2	0	0	0	0	111.2	D280 G281 R287 E288	D280-S284 VanDerWaalsContact O-CB 3.24Å; D280-S284 WeakPolarHBondContact O-CB 3.31Å; D280-S284 PolarHBondContact O-N 3.26Å; D280-S284 PolarHBondContact O-OG 2.95Å; G281-S284 PolarHBondContact O-N 2.7Å; S284-R287 WeakPolarHBondContact O-CB 3.45Å; S284-R287 PolarHBondContact O-N 2.85Å; S284-R287 VanDerWaalsContact O-N 3.15Å; S284-E288 WeakPolarHBondContact O-CB 3.36Å; S284-E288 PolarHBondContact O-N 3.28Å
285	A	81.9	Confident	74.5	Confident	35 Å²	35	102.5 Å²	102.5	29%	0.289	53%	0.527	S	S	.	.	H	α-helix	trans	-60.1	-47.4	176	0	0	0	0	0	112.3	G281 R287 E288 E289	G281-A285 WeakPolarHBondContact O-CB 3.49Å; G281-A285 PolarHBondContact O-N 2.96Å; A285-R287 PolarHBondContact O-N 3.43Å; A285-E288 PolarHBondContact O-N 2.92Å; A285-E288 VanDerWaalsContact O-N 3.16Å; A285-E289 WeakPolarHBondContact O-CB 3.46Å; A285-E289 WeakPolarHBondContact O-CG 3.14Å; A285-E289 PolarHBondContact O-N 3.14Å
286	L	76.8	Confident	75.5	Confident	108 Å²	108	101.1 Å²	101.1	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-31.8	175.7	-79.2	168.3	0	0	0	112.9	K282 L290	K282-L286 WeakPolarHBondContact O-CB 3.25Å; K282-L286 WeakPolarHBondContact O-CG 3.37Å; K282-L286 PolarHBondContact O-N 2.85Å; L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 PolarHBondContact O-N 2.93Å; L286-L290 VanDerWaalsContact O-N 3.12Å
287	R	72.2	Confident	75.8	Confident	170 Å²	170	101.6 Å²	101.6	64%	0.642	53%	0.529	S	S	*	.	H	α-helix	trans	-74.1	-38.5	175.1	-175	-179.1	179.4	168.1	2.8	111.6	I283 S284 A285 L290 M291	I283-R287 VanDerWaalsContact O-CB 3.25Å; I283-R287 WeakPolarHBondContact O-CB 3.43Å; I283-R287 PolarHBondContact O-N 3.26Å; S284-R287 WeakPolarHBondContact O-CB 3.45Å; S284-R287 PolarHBondContact O-N 2.85Å; S284-R287 VanDerWaalsContact O-N 3.15Å; A285-R287 PolarHBondContact O-N 3.43Å; R287-L290 PolarHBondContact O-N 2.83Å; R287-M291 HydrophobicContact CG-CE 4.04Å; R287-M291 HydrophobicContact CG-SD 4.07Å; R287-M291 WeakPolarHBondContact O-CB 3.39Å; R287-M291 WeakPolarHBondContact O-CG 3.38Å; R287-M291 PolarHBondContact O-N 3.01Å
288	E	80.9	Confident	75.5	Confident	133 Å²	133	104.6 Å²	104.6	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-67.5	-50.5	177.2	-165.9	160.9	-150.6	0	0	110.6	S284 A285 L290 M291 E292	S284-E288 WeakPolarHBondContact O-CB 3.36Å; S284-E288 PolarHBondContact O-N 3.28Å; A285-E288 PolarHBondContact O-N 2.92Å; A285-E288 VanDerWaalsContact O-N 3.16Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.22Å; E288-M291 PolarHBondContact O-N 2.9Å; E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 3Å
289	E	81.9	Confident	75.7	Confident	126 Å²	126	99.3 Å²	99.3	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-55.1	-39.8	172	-71.5	171.8	-164.4	0	0	112.4	A285 G293	A285-E289 WeakPolarHBondContact O-CB 3.46Å; A285-E289 WeakPolarHBondContact O-CG 3.14Å; A285-E289 PolarHBondContact O-N 3.14Å; E289-G293 PolarHBondContact O-N 3.49Å
290	L	70.6	Confident	75.7	Confident	126 Å²	126	99.7 Å²	99.7	66%	0.66	52%	0.524	S	S	*	.	H	α-helix	trans	-73.5	-37.9	178.4	-179.4	62.4	0	0	0	112.9	L286 R287 E288 M294	L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 PolarHBondContact O-N 2.93Å; L286-L290 VanDerWaalsContact O-N 3.12Å; R287-L290 PolarHBondContact O-N 2.83Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.22Å; L290-M294 VanDerWaalsContact O-CB 3.28Å; L290-M294 WeakPolarHBondContact O-CB 3.36Å; L290-M294 PolarHBondContact O-N 2.86Å
291	M	69.5	Low	75.6	Confident	84 Å²	84	100.1 Å²	100.1	41%	0.414	53%	0.525	S	S	.	.	H	α-helix	trans	-70.6	-46.4	176.1	-71.5	-180	-42.4	0	0	110.5	R287 E288 G293 M294 D295	R287-M291 HydrophobicContact CG-CE 4.04Å; R287-M291 HydrophobicContact CG-SD 4.07Å; R287-M291 WeakPolarHBondContact O-CB 3.39Å; R287-M291 WeakPolarHBondContact O-CG 3.38Å; R287-M291 PolarHBondContact O-N 3.01Å; E288-M291 PolarHBondContact O-N 2.9Å; M291-G293 PolarHBondContact O-N 2.83Å; M291-M294 CarbonylContact O-C 3.6Å; M291-M294 PolarHBondContact O-N 3.12Å; M291-M294 VanDerWaalsContact O-N 3.11Å; M291-D295 WeakPolarHBondContact O-CB 3.46Å; M291-D295 PolarHBondContact O-N 3.31Å
292	E	81.9	Confident	75.1	Confident	131 Å²	131	104 Å²	104	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-60.9	-45.1	175.5	-173.4	174.3	-144.9	0	0	111.4	E288 M294 D295 V296	E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 3Å; E292-M294 VanDerWaalsContact C-N 3.25Å; E292-M294 PolarHBondContact O-N 3.02Å; E292-D295 PolarHBondContact O-N 2.89Å; E292-V296 WeakPolarHBondContact O-CB 3.38Å; E292-V296 VanDerWaalsContact O-CG2 3.29Å; E292-V296 WeakPolarHBondContact O-CG2 3.38Å; E292-V296 PolarHBondContact O-N 3.39Å
293	G	77	Confident	75.1	Confident	39 Å²	39	103.1 Å²	103.1	40%	0.402	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-25.4	175	0	0	0	0	0	114.4	E289 M291 K297	E289-G293 PolarHBondContact O-N 3.49Å; M291-G293 PolarHBondContact O-N 2.83Å; G293-K297 WeakPolarHBondContact O-CG 3.21Å
294	M	70.1	Confident	75.1	Confident	118 Å²	118	100.5 Å²	100.5	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-81.2	-43.6	172.9	-173.6	173	67.6	0	0	111.5	L290 M291 E292 K297 M298	L290-M294 VanDerWaalsContact O-CB 3.28Å; L290-M294 WeakPolarHBondContact O-CB 3.36Å; L290-M294 PolarHBondContact O-N 2.86Å; M291-M294 CarbonylContact O-C 3.6Å; M291-M294 PolarHBondContact O-N 3.12Å; M291-M294 VanDerWaalsContact O-N 3.11Å; E292-M294 VanDerWaalsContact C-N 3.25Å; E292-M294 PolarHBondContact O-N 3.02Å; M294-K297 PolarHBondContact O-N 3.46Å; M294-M298 WeakPolarHBondContact O-CB 3.39Å; M294-M298 PolarHBondContact O-N 3.47Å
295	D	70.5	Confident	74.2	Confident	104 Å²	104	100 Å²	100	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-39.2	178.6	-76	-24.4	0	0	0	111.6	M291 E292 M298 A299	M291-D295 WeakPolarHBondContact O-CB 3.46Å; M291-D295 PolarHBondContact O-N 3.31Å; E292-D295 PolarHBondContact O-N 2.89Å; D295-M298 PolarHBondContact O-N 3.19Å; D295-A299 WeakPolarHBondContact O-CB 3.37Å; D295-A299 PolarHBondContact O-N 3.23Å
296	V	81.6	Confident	73.6	Confident	79 Å²	79	101.1 Å²	101.1	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-47.5	171.2	169.1	0	0	0	0	110.9	E292 M298 A299 D300	E292-V296 WeakPolarHBondContact O-CB 3.38Å; E292-V296 VanDerWaalsContact O-CG2 3.29Å; E292-V296 WeakPolarHBondContact O-CG2 3.38Å; E292-V296 PolarHBondContact O-N 3.39Å; V296-M298 VanDerWaalsContact C-N 3.33Å; V296-M298 PolarHBondContact O-N 2.95Å; V296-A299 WeakPolarHBondContact O-CB 3.49Å; V296-A299 PolarHBondContact O-N 3.2Å; V296-D300 PolarHBondContact O-N 3.17Å
297	K	72.1	Confident	73.6	Confident	154 Å²	154	104.1 Å²	104.1	67%	0.67	53%	0.525	S	S	*	.	H	α-helix	trans	-69.3	-29.8	177.7	-74.9	-169.7	-178.3	-171.8	0	113.5	G293 M294 L301	G293-K297 WeakPolarHBondContact O-CG 3.21Å; M294-K297 PolarHBondContact O-N 3.46Å; K297-L301 VanDerWaalsContact O-CB 3.28Å; K297-L301 WeakPolarHBondContact O-CB 3.18Å; K297-L301 PolarHBondContact O-N 2.74Å
298	M	67.2	Low	73.4	Confident	126 Å²	126	101.9 Å²	101.9	62%	0.621	52%	0.52	S	S	*	.	H	α-helix	trans	-70.9	-36.8	173.6	-162.9	66.3	177.6	0	0	110.8	M294 D295 V296 K302	M294-M298 WeakPolarHBondContact O-CB 3.39Å; M294-M298 PolarHBondContact O-N 3.47Å; D295-M298 PolarHBondContact O-N 3.19Å; V296-M298 VanDerWaalsContact C-N 3.33Å; V296-M298 PolarHBondContact O-N 2.95Å; M298-K302 WeakPolarHBondContact O-CB 3.45Å; M298-K302 PolarHBondContact O-N 3.43Å
299	A	77.1	Confident	72.7	Confident	43 Å²	43	100.5 Å²	100.5	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-45	171.6	0	0	0	0	0	111.8	D295 V296 L301 K302 N303	D295-A299 WeakPolarHBondContact O-CB 3.37Å; D295-A299 PolarHBondContact O-N 3.23Å; V296-A299 WeakPolarHBondContact O-CB 3.49Å; V296-A299 PolarHBondContact O-N 3.2Å; A299-L301 PolarHBondContact O-N 2.66Å; A299-K302 PolarHBondContact O-N 2.82Å; A299-N303 VanDerWaalsContact O-CB 3.3Å; A299-N303 WeakPolarHBondContact O-CB 3.42Å; A299-N303 PolarHBondContact O-N 3.43Å; A299-N303 PolarHBondContact O-ND2 2.92Å; A299-N303 VanDerWaalsContact O-ND2 3.17Å
300	D	73.3	Confident	72.4	Confident	99 Å²	99	99.7 Å²	99.7	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174.7	-75	-24.4	0	0	0	112	V296 N303 S304	V296-D300 PolarHBondContact O-N 3.17Å; D300-N303 PolarHBondContact O-N 2.86Å; D300-S304 WeakPolarHBondContact O-CB 3.34Å; D300-S304 PolarHBondContact O-N 2.75Å
301	L	71.4	Confident	72.4	Confident	106 Å²	106	96 Å²	96	56%	0.555	50%	0.5	S	S	*	.	H	α-helix	trans	-64.1	-44.8	176.3	-178.8	61.4	0	0	0	111.3	K297 A299 S304 C305	K297-L301 VanDerWaalsContact O-CB 3.28Å; K297-L301 WeakPolarHBondContact O-CB 3.18Å; K297-L301 PolarHBondContact O-N 2.74Å; A299-L301 PolarHBondContact O-N 2.66Å; L301-S304 PolarHBondContact O-N 2.75Å; L301-C305 PolarHBondContact O-N 2.94Å
302	K	74.6	Confident	72	Confident	120 Å²	120	96.2 Å²	96.2	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-49.1	174.6	-178.8	-176.9	177.7	-71.4	0	110.9	M298 A299 S304 C305 D306	M298-K302 WeakPolarHBondContact O-CB 3.45Å; M298-K302 PolarHBondContact O-N 3.43Å; A299-K302 PolarHBondContact O-N 2.82Å; K302-S304 VanDerWaalsContact C-N 3.28Å; K302-S304 PolarHBondContact O-N 2.81Å; K302-C305 CarbonylContact O-C 3.56Å; K302-C305 WeakPolarHBondContact O-CA 3.29Å; K302-C305 WeakPolarHBondContact O-CB 3.38Å; K302-C305 PolarHBondContact O-N 3.22Å; K302-C305 VanDerWaalsContact O-N 3.08Å; K302-D306 IonicContact NZ-OD2 2.69Å; K302-D306 PolarHBondContact NZ-OD2 2.94Å; K302-D306 WeakPolarHBondContact O-CB 3.43Å; K302-D306 VanDerWaalsContact O-CG 3.28Å; K302-D306 PolarHBondContact O-N 3.38Å
303	N	80.8	Confident	71.1	Confident	92 Å²	92	94.6 Å²	94.6	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-61.4	-36.3	178.1	-67.3	-22.9	0	0	0	111.7	A299 D300 Y307	A299-N303 VanDerWaalsContact O-CB 3.3Å; A299-N303 WeakPolarHBondContact O-CB 3.42Å; A299-N303 PolarHBondContact O-N 3.43Å; A299-N303 PolarHBondContact O-ND2 2.92Å; A299-N303 VanDerWaalsContact O-ND2 3.17Å; D300-N303 PolarHBondContact O-N 2.86Å; N303-Y307 WeakPolarHBondContact O-CB 3.42Å; N303-Y307 PolarHBondContact O-N 3.45Å
304	S	73	Confident	71.1	Confident	48 Å²	48	99.7 Å²	99.7	34%	0.336	51%	0.511	S	S	.	.	H	α-helix	trans	-68.3	-35.7	173.5	-166.9	0	0	0	0	112.9	D300 L301 K302 K308	D300-S304 WeakPolarHBondContact O-CB 3.34Å; D300-S304 PolarHBondContact O-N 2.75Å; L301-S304 PolarHBondContact O-N 2.75Å; K302-S304 VanDerWaalsContact C-N 3.28Å; K302-S304 PolarHBondContact O-N 2.81Å; S304-K308 WeakPolarHBondContact O-CB 3.42Å; S304-K308 WeakPolarHBondContact O-CD 3.28Å; S304-K308 VanDerWaalsContact O-CG 3.24Å; S304-K308 WeakPolarHBondContact O-CG 3.45Å; S304-K308 PolarHBondContact O-N 3.3Å; S304-K308 PolarHBondContact OG-NZ 3.44Å
305	C	53.3	Low	70.7	Confident	59 Å²	59	100.6 Å²	100.6	40%	0.399	51%	0.514	S	S	.	.	H	α-helix	trans	-70.1	-50.3	172.5	-78.9	0	0	0	0	111.6	L301 K302 Y307 K308 I309	L301-C305 PolarHBondContact O-N 2.94Å; K302-C305 CarbonylContact O-C 3.56Å; K302-C305 WeakPolarHBondContact O-CA 3.29Å; K302-C305 WeakPolarHBondContact O-CB 3.38Å; K302-C305 PolarHBondContact O-N 3.22Å; K302-C305 VanDerWaalsContact O-N 3.08Å; C305-Y307 VanDerWaalsContact C-N 3.34Å; C305-Y307 PolarHBondContact O-N 2.9Å; C305-K308 PolarHBondContact O-N 2.92Å; C305-K308 VanDerWaalsContact O-N 3.1Å; C305-I309 VanDerWaalsContact O-CG1 3.28Å; C305-I309 WeakPolarHBondContact O-CG1 3.48Å; C305-I309 PolarHBondContact O-N 3.42Å
306	D	68.9	Low	69.8	Low	59 Å²	59	99 Å²	99	32%	0.316	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-43.9	179	-68	-9.5	0	0	0	110.7	K302 K308 I309 L310	K302-D306 IonicContact NZ-OD2 2.69Å; K302-D306 PolarHBondContact NZ-OD2 2.94Å; K302-D306 WeakPolarHBondContact O-CB 3.43Å; K302-D306 VanDerWaalsContact O-CG 3.28Å; K302-D306 PolarHBondContact O-N 3.38Å; D306-K308 PolarHBondContact O-N 3.36Å; D306-I309 PolarHBondContact O-N 2.96Å; D306-L310 WeakPolarHBondContact O-CB 3.38Å; D306-L310 VanDerWaalsContact O-CG 3.29Å; D306-L310 WeakPolarHBondContact O-CG 3.47Å; D306-L310 PolarHBondContact O-N 2.96Å
307	Y	78.6	Confident	69.2	Low	170 Å²	170	100.2 Å²	100.2	67%	0.667	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-39.7	174.3	-179.9	-96.9	0	0	0	112.9	N303 C305 S311	N303-Y307 WeakPolarHBondContact O-CB 3.42Å; N303-Y307 PolarHBondContact O-N 3.45Å; C305-Y307 VanDerWaalsContact C-N 3.34Å; C305-Y307 PolarHBondContact O-N 2.9Å; Y307-S311 VanDerWaalsContact O-CB 3.24Å; Y307-S311 WeakPolarHBondContact O-CB 3.47Å; Y307-S311 PolarHBondContact O-N 2.84Å
308	K	67.1	Low	69	Low	124 Å²	124	95 Å²	95	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-70	-36.6	175.8	-76.2	167.7	-175.1	155.4	0	112.4	S304 C305 D306 V312	S304-K308 WeakPolarHBondContact O-CB 3.42Å; S304-K308 WeakPolarHBondContact O-CD 3.28Å; S304-K308 VanDerWaalsContact O-CG 3.24Å; S304-K308 WeakPolarHBondContact O-CG 3.45Å; S304-K308 PolarHBondContact O-N 3.3Å; S304-K308 PolarHBondContact OG-NZ 3.44Å; C305-K308 PolarHBondContact O-N 2.92Å; C305-K308 VanDerWaalsContact O-N 3.1Å; D306-K308 PolarHBondContact O-N 3.36Å; K308-V312 WeakPolarHBondContact O-CB 3.39Å; K308-V312 WeakPolarHBondContact O-CG2 3.5Å; K308-V312 PolarHBondContact O-N 3.17Å
309	I	67.1	Low	68.6	Low	104 Å²	104	94 Å²	94	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-48	175.4	-70.3	163.3	0	0	0	109.3	C305 D306 V312 Q313	C305-I309 VanDerWaalsContact O-CG1 3.28Å; C305-I309 WeakPolarHBondContact O-CG1 3.48Å; C305-I309 PolarHBondContact O-N 3.42Å; D306-I309 PolarHBondContact O-N 2.96Å; I309-V312 PolarHBondContact O-N 3.47Å; I309-Q313 VanDerWaalsContact O-CB 3.23Å; I309-Q313 WeakPolarHBondContact O-CB 3.45Å; I309-Q313 PolarHBondContact O-N 3.02Å
310	L	74.8	Confident	67.9	Low	108 Å²	108	98 Å²	98	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-61	-44.8	175.4	-71.6	168.4	0	0	0	112.1	D306 V312 Q313 E314	D306-L310 WeakPolarHBondContact O-CB 3.38Å; D306-L310 VanDerWaalsContact O-CG 3.29Å; D306-L310 WeakPolarHBondContact O-CG 3.47Å; D306-L310 PolarHBondContact O-N 2.96Å; L310-V312 PolarHBondContact O-N 3.48Å; L310-Q313 PolarHBondContact O-N 2.99Å; L310-E314 VanDerWaalsContact O-CB 3.31Å; L310-E314 WeakPolarHBondContact O-CB 3.46Å; L310-E314 PolarHBondContact O-N 3.19Å
311	S	71	Confident	67.9	Low	50 Å²	50	95.9 Å²	95.9	35%	0.35	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-36.9	178.3	173.4	0	0	0	0	113.2	Y307 Q315	Y307-S311 VanDerWaalsContact O-CB 3.24Å; Y307-S311 WeakPolarHBondContact O-CB 3.47Å; Y307-S311 PolarHBondContact O-N 2.84Å; S311-Q315 WeakPolarHBondContact O-CB 3.37Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 VanDerWaalsContact O-N 3.11Å
312	V	60.5	Low	67.9	Low	88 Å²	88	94.6 Å²	94.6	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-70.9	-39.9	173.5	168.9	0	0	0	0	110.5	K308 I309 L310 Q315 C316	K308-V312 WeakPolarHBondContact O-CB 3.39Å; K308-V312 WeakPolarHBondContact O-CG2 3.5Å; K308-V312 PolarHBondContact O-N 3.17Å; I309-V312 PolarHBondContact O-N 3.47Å; L310-V312 PolarHBondContact O-N 3.48Å; V312-Q315 PolarHBondContact O-N 3.33Å; V312-C316 WeakPolarHBondContact O-CB 3.18Å; V312-C316 PolarHBondContact O-N 2.96Å; V312-C316 PolarHBondContact O-SG 2.89Å
313	Q	63	Low	67.1	Low	96 Å²	96	95.4 Å²	95.4	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-46.4	176.9	-179.2	174.2	-19.3	0	0	111.5	I309 L310 Q315 C316 E317	I309-Q313 VanDerWaalsContact O-CB 3.23Å; I309-Q313 WeakPolarHBondContact O-CB 3.45Å; I309-Q313 PolarHBondContact O-N 3.02Å; L310-Q313 PolarHBondContact O-N 2.99Å; Q313-Q315 VanDerWaalsContact C-N 3.3Å; Q313-Q315 PolarHBondContact O-N 3.35Å; Q313-C316 CarbonylContact O-C 3.58Å; Q313-C316 PolarHBondContact O-N 2.98Å; Q313-C316 VanDerWaalsContact O-N 3.12Å; Q313-E317 HydrophobicContact CG-CG 4.34Å; Q313-E317 VanDerWaalsContact CG-OE1 3.27Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.42Å; Q313-E317 PolarHBondContact NE2-OE1 3.27Å; Q313-E317 WeakPolarHBondContact O-CB 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.33Å; Q313-E317 PolarHBondContact O-N 3.08Å
314	E	76	Confident	66.4	Low	146 Å²	146	98 Å²	98	68%	0.682	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-38.6	174.9	-176.2	175.4	-152.3	0	0	111.6	L310 G318	L310-E314 VanDerWaalsContact O-CB 3.31Å; L310-E314 WeakPolarHBondContact O-CB 3.46Å; L310-E314 PolarHBondContact O-N 3.19Å; E314-G318 PolarHBondContact O-N 3.04Å
315	Q	62.8	Low	66.4	Low	137 Å²	137	99.2 Å²	99.2	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-68.6	-37	173.9	-170.8	169.7	11.7	0	0	112.5	S311 V312 Q313 Q319	S311-Q315 WeakPolarHBondContact O-CB 3.37Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 VanDerWaalsContact O-N 3.11Å; V312-Q315 PolarHBondContact O-N 3.33Å; Q313-Q315 VanDerWaalsContact C-N 3.3Å; Q313-Q315 PolarHBondContact O-N 3.35Å; Q315-Q319 WeakPolarHBondContact O-CB 3.34Å; Q315-Q319 PolarHBondContact O-N 2.95Å; Q315-Q319 VanDerWaalsContact O-N 3.07Å
316	C	52.4	Low	67	Low	70 Å²	70	100.7 Å²	100.7	47%	0.473	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-44.7	173.2	-73.9	0	0	0	0	112.2	V312 Q313 Q319 E320	V312-C316 WeakPolarHBondContact O-CB 3.18Å; V312-C316 PolarHBondContact O-N 2.96Å; V312-C316 PolarHBondContact O-SG 2.89Å; Q313-C316 CarbonylContact O-C 3.58Å; Q313-C316 PolarHBondContact O-N 2.98Å; Q313-C316 VanDerWaalsContact O-N 3.12Å; C316-Q319 PolarHBondContact O-N 3.17Å; C316-E320 WeakPolarHBondContact O-CB 3.34Å; C316-E320 PolarHBondContact O-N 3.38Å
317	E	68.1	Low	67.1	Low	105 Å²	105	101.1 Å²	101.1	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-39.2	177.6	-73.4	174.8	-167.5	0	0	111.3	Q313 E320 A321	Q313-E317 HydrophobicContact CG-CG 4.34Å; Q313-E317 VanDerWaalsContact CG-OE1 3.27Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.42Å; Q313-E317 PolarHBondContact NE2-OE1 3.27Å; Q313-E317 WeakPolarHBondContact O-CB 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.33Å; Q313-E317 PolarHBondContact O-N 3.08Å; E317-E320 PolarHBondContact O-N 3.07Å; E317-A321 WeakPolarHBondContact O-CB 3.13Å; E317-A321 PolarHBondContact O-N 3.19Å
318	G	69.1	Low	67	Low	46 Å²	46	99.3 Å²	99.3	47%	0.474	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-37.1	172.4	0	0	0	0	0	113.4	E314 S322	E314-G318 PolarHBondContact O-N 3.04Å; G318-S322 PolarHBondContact O-N 3.05Å; G318-S322 VanDerWaalsContact O-N 3.16Å
319	Q	58	Low	67.7	Low	104 Å²	104	98.1 Å²	98.1	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-74.1	-36.5	175.4	-171.5	171.2	-2.6	0	0	112.1	Q315 C316 S322 Y323	Q315-Q319 WeakPolarHBondContact O-CB 3.34Å; Q315-Q319 PolarHBondContact O-N 2.95Å; Q315-Q319 VanDerWaalsContact O-N 3.07Å; C316-Q319 PolarHBondContact O-N 3.17Å; Q319-S322 WeakPolarHBondContact O-CB 2.9Å; Q319-S322 PolarHBondContact O-N 3.33Å; Q319-Y323 HydrophobicContact CG-CD2 4.12Å; Q319-Y323 HydrophobicContact CG-CE2 3.67Å; Q319-Y323 PolarHBondContact NE2-OH 2.91Å; Q319-Y323 WeakPolarHBondContact O-CD2 3.24Å; Q319-Y323 PolarHBondContact O-N 2.8Å
320	E	61.8	Low	67.7	Low	128 Å²	128	99.1 Å²	99.1	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-64.1	-44.9	173.1	-175.1	170.5	-170.9	0	0	111	C316 E317 S322 Y323 F324	C316-E320 WeakPolarHBondContact O-CB 3.34Å; C316-E320 PolarHBondContact O-N 3.38Å; E317-E320 PolarHBondContact O-N 3.07Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 2.83Å; E320-Y323 PolarHBondContact O-N 2.68Å; E320-F324 WeakPolarHBondContact O-CB 3.47Å; E320-F324 PolarHBondContact O-N 3.31Å
321	A	73	Confident	67.5	Low	53 Å²	53	99.9 Å²	99.9	44%	0.438	53%	0.528	S	S	.	.	H	α-helix	trans	-59.2	-37.4	173.6	0	0	0	0	0	112.4	E317 F324 S325	E317-A321 WeakPolarHBondContact O-CB 3.13Å; E317-A321 PolarHBondContact O-N 3.19Å; A321-F324 PolarHBondContact O-N 2.62Å; A321-S325 PolarHBondContact O-N 2.85Å; A321-S325 PolarHBondContact O-OG 2.79Å; A321-S325 VanDerWaalsContact O-OG 3.1Å
322	S	71.1	Confident	68.2	Low	79 Å²	79	100.1 Å²	100.1	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-45.1	174	-175	0	0	0	0	112.3	G318 Q319 E320 F324 S325 L326	G318-S322 PolarHBondContact O-N 3.05Å; G318-S322 VanDerWaalsContact O-N 3.16Å; Q319-S322 WeakPolarHBondContact O-CB 2.9Å; Q319-S322 PolarHBondContact O-N 3.33Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 2.83Å; S322-F324 VanDerWaalsContact C-N 3.32Å; S322-F324 PolarHBondContact O-N 2.86Å; S322-S325 PolarHBondContact O-N 3.39Å; S322-L326 WeakPolarHBondContact O-CB 3.14Å; S322-L326 PolarHBondContact O-N 2.92Å
323	Y	59.2	Low	69	Low	138 Å²	138	100.7 Å²	100.7	54%	0.541	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-33.8	173.2	-71.8	-57	0	0	0	112.8	Q319 E320 L326 T327	Q319-Y323 HydrophobicContact CG-CD2 4.12Å; Q319-Y323 HydrophobicContact CG-CE2 3.67Å; Q319-Y323 PolarHBondContact NE2-OH 2.91Å; Q319-Y323 WeakPolarHBondContact O-CD2 3.24Å; Q319-Y323 PolarHBondContact O-N 2.8Å; E320-Y323 PolarHBondContact O-N 2.68Å; Y323-L326 PolarHBondContact O-N 3Å; Y323-T327 WeakPolarHBondContact O-CB 3.49Å; Y323-T327 PolarHBondContact O-N 3.5Å; Y323-T327 PolarHBondContact O-OG1 2.84Å
324	F	65.5	Low	69.6	Low	146 Å²	146	101.1 Å²	101.1	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-45.4	175.7	-139.3	-76.7	0	0	0	111.4	E320 A321 S322 L326 T327 E328	E320-F324 WeakPolarHBondContact O-CB 3.47Å; E320-F324 PolarHBondContact O-N 3.31Å; A321-F324 PolarHBondContact O-N 2.62Å; S322-F324 VanDerWaalsContact C-N 3.32Å; S322-F324 PolarHBondContact O-N 2.86Å; F324-L326 VanDerWaalsContact C-N 3.32Å; F324-L326 PolarHBondContact O-N 3.33Å; F324-T327 WeakPolarHBondContact O-CB 3.49Å; F324-T327 PolarHBondContact O-N 3.24Å; F324-T327 VanDerWaalsContact O-N 3.15Å; F324-E328 PolarHBondContact O-N 3.03Å
325	S	73.5	Confident	69.9	Low	74 Å²	74	98.6 Å²	98.6	52%	0.517	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-36.1	173.4	-60.9	0	0	0	0	112.8	A321 S322 L329	A321-S325 PolarHBondContact O-N 2.85Å; A321-S325 PolarHBondContact O-OG 2.79Å; A321-S325 VanDerWaalsContact O-OG 3.1Å; S322-S325 PolarHBondContact O-N 3.39Å; S325-L329 VanDerWaalsContact O-CB 3.29Å; S325-L329 WeakPolarHBondContact O-CB 3.47Å; S325-L329 PolarHBondContact O-N 3.46Å
326	L	66.5	Low	70.8	Confident	89 Å²	89	95.9 Å²	95.9	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-38.8	173.2	-179	61	0	0	0	111.6	S322 Y323 F324 L329 M330	S322-L326 WeakPolarHBondContact O-CB 3.14Å; S322-L326 PolarHBondContact O-N 2.92Å; Y323-L326 PolarHBondContact O-N 3Å; F324-L326 VanDerWaalsContact C-N 3.32Å; F324-L326 PolarHBondContact O-N 3.33Å; L326-L329 PolarHBondContact O-N 2.78Å; L326-M330 HydrophobicContact CG-SD 4.45Å; L326-M330 WeakPolarHBondContact O-CB 3.46Å; L326-M330 WeakPolarHBondContact O-CG 3.37Å; L326-M330 PolarHBondContact O-N 3.05Å
327	T	69.8	Low	71.7	Confident	69 Å²	69	97.2 Å²	97.2	42%	0.423	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-48.1	177.2	-55.2	0	0	0	0	111	Y323 F324 L329 M330 E331	Y323-T327 WeakPolarHBondContact O-CB 3.49Å; Y323-T327 PolarHBondContact O-N 3.5Å; Y323-T327 PolarHBondContact O-OG1 2.84Å; F324-T327 WeakPolarHBondContact O-CB 3.49Å; F324-T327 PolarHBondContact O-N 3.24Å; F324-T327 VanDerWaalsContact O-N 3.15Å; T327-L329 VanDerWaalsContact C-N 3.31Å; T327-L329 PolarHBondContact O-N 3.17Å; T327-M330 PolarHBondContact O-N 3.46Å; T327-M330 VanDerWaalsContact O-N 3.1Å; T327-E331 WeakPolarHBondContact O-CG 3.39Å; T327-E331 PolarHBondContact O-N 3.33Å
328	E	77.3	Confident	72	Confident	132 Å²	132	97.5 Å²	97.5	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-60.1	-39.4	176	-174.7	176.7	-160.4	0	0	111.8	F324 S332	F324-E328 PolarHBondContact O-N 3.03Å; E328-S332 VanDerWaalsContact O-CB 3.29Å; E328-S332 WeakPolarHBondContact O-CB 3.36Å; E328-S332 PolarHBondContact O-N 2.89Å
329	L	80.4	Confident	72.7	Confident	99 Å²	99	99.5 Å²	99.5	52%	0.518	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-40.6	173.5	-178.7	63.7	0	0	0	112.2	S325 L326 T327 K333	S325-L329 VanDerWaalsContact O-CB 3.29Å; S325-L329 WeakPolarHBondContact O-CB 3.47Å; S325-L329 PolarHBondContact O-N 3.46Å; L326-L329 PolarHBondContact O-N 2.78Å; T327-L329 VanDerWaalsContact C-N 3.31Å; T327-L329 PolarHBondContact O-N 3.17Å; L329-K333 HydrophobicContact CD1-CG 4.43Å; L329-K333 WeakPolarHBondContact O-CB 3.33Å; L329-K333 VanDerWaalsContact O-CG 3.22Å; L329-K333 WeakPolarHBondContact O-CG 3.46Å; L329-K333 PolarHBondContact O-N 3.47Å
330	M	67.3	Low	73.8	Confident	125 Å²	125	100.5 Å²	100.5	62%	0.616	51%	0.508	S	S	*	.	H	α-helix	trans	-66.9	-45	176.4	-77.3	-177.4	64.7	0	0	111.8	L326 T327 K333 E334	L326-M330 HydrophobicContact CG-SD 4.45Å; L326-M330 WeakPolarHBondContact O-CB 3.46Å; L326-M330 WeakPolarHBondContact O-CG 3.37Å; L326-M330 PolarHBondContact O-N 3.05Å; T327-M330 PolarHBondContact O-N 3.46Å; T327-M330 VanDerWaalsContact O-N 3.1Å; M330-K333 PolarHBondContact O-N 3.16Å; M330-E334 WeakPolarHBondContact O-CB 3.42Å; M330-E334 PolarHBondContact O-N 2.88Å
331	E	72	Confident	74.3	Confident	124 Å²	124	99.5 Å²	99.5	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-61.8	-44	175.5	-71.5	-177.1	172.6	0	0	111.3	T327 K333 E334 E335	T327-E331 WeakPolarHBondContact O-CG 3.39Å; T327-E331 PolarHBondContact O-N 3.33Å; E331-K333 VanDerWaalsContact C-N 3.32Å; E331-K333 PolarHBondContact O-N 2.86Å; E331-E334 PolarHBondContact O-N 2.93Å; E331-E335 WeakPolarHBondContact O-CB 3.37Å; E331-E335 PolarHBondContact O-N 3.29Å
332	S	85.1	Confident	74.4	Confident	55 Å²	55	102.1 Å²	102.1	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-41.2	172.9	167.4	0	0	0	0	112.5	E328 E335 D336	E328-S332 VanDerWaalsContact O-CB 3.29Å; E328-S332 WeakPolarHBondContact O-CB 3.36Å; E328-S332 PolarHBondContact O-N 2.89Å; S332-E335 PolarHBondContact O-N 2.68Å; S332-D336 PolarHBondContact O-N 2.78Å
333	K	77.6	Confident	75	Confident	100 Å²	100	101.6 Å²	101.6	44%	0.435	50%	0.5	S	S	.	.	H	α-helix	trans	-75.4	-33	179.5	-71.8	-75.2	148.7	-75.3	0	112.6	L329 M330 E331 E335 D336 L337	L329-K333 HydrophobicContact CD1-CG 4.43Å; L329-K333 WeakPolarHBondContact O-CB 3.33Å; L329-K333 VanDerWaalsContact O-CG 3.22Å; L329-K333 WeakPolarHBondContact O-CG 3.46Å; L329-K333 PolarHBondContact O-N 3.47Å; M330-K333 PolarHBondContact O-N 3.16Å; E331-K333 VanDerWaalsContact C-N 3.32Å; E331-K333 PolarHBondContact O-N 2.86Å; K333-E335 VanDerWaalsContact C-N 3.32Å; K333-D336 IonicContact NZ-OD2 3.32Å; K333-D336 PolarHBondContact NZ-OD2 2.81Å; K333-L337 WeakPolarHBondContact O-CB 3.32Å; K333-L337 VanDerWaalsContact O-CG 3.24Å; K333-L337 WeakPolarHBondContact O-CG 3.48Å; K333-L337 PolarHBondContact O-N 2.88Å
334	E	74.4	Confident	75.6	Confident	104 Å²	104	99 Å²	99	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-36.6	172.5	-154.3	-158.4	176.7	0	0	111.1	M330 E331 L337 R338	M330-E334 WeakPolarHBondContact O-CB 3.42Å; M330-E334 PolarHBondContact O-N 2.88Å; E331-E334 PolarHBondContact O-N 2.93Å; E334-L337 PolarHBondContact O-N 3.06Å; E334-R338 VanDerWaalsContact CD-CZ 3.48Å; E334-R338 VanDerWaalsContact CD-NH2 3.3Å; E334-R338 WeakPolarHBondContact O-CB 3.35Å; E334-R338 WeakPolarHBondContact O-CG 3.31Å; E334-R338 PolarHBondContact O-N 2.88Å; E334-R338 IonicContact OE1-CZ 2.78Å; E334-R338 IonicContact OE1-NH1 2.65Å; E334-R338 PolarHBondContact OE1-NH1 2.99Å; E334-R338 IonicContact OE1-NH2 2.6Å; E334-R338 IonicContact OE2-CZ 2.68Å; E334-R338 VanDerWaalsContact OE2-CZ 3.32Å; E334-R338 IonicContact OE2-NH1 2.65Å; E334-R338 PolarHBondContact OE2-NH1 2.84Å; E334-R338 VanDerWaalsContact OE2-NH1 3.07Å; E334-R338 IonicContact OE2-NH2 2.77Å; E334-R338 PolarHBondContact OE2-NH2 3.4Å
335	E	82.6	Confident	75.7	Confident	93 Å²	93	98.2 Å²	98.2	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-71.4	-41.3	175.1	-166	61.7	-167.9	0	0	112.3	E331 S332 K333 L337 R338 N339	E331-E335 WeakPolarHBondContact O-CB 3.37Å; E331-E335 PolarHBondContact O-N 3.29Å; S332-E335 PolarHBondContact O-N 2.68Å; K333-E335 VanDerWaalsContact C-N 3.32Å; E335-L337 VanDerWaalsContact C-N 3.34Å; E335-L337 PolarHBondContact O-N 3.39Å; E335-R338 PolarHBondContact O-N 2.72Å; E335-R338 IonicContact OE2-CZ 2.88Å; E335-R338 IonicContact OE2-NE 2.71Å; E335-R338 PolarHBondContact OE2-NE 3.07Å; E335-R338 IonicContact OE2-NH2 2.71Å; E335-R338 PolarHBondContact OE2-NH2 3.45Å; E335-N339 WeakPolarHBondContact O-CB 3.35Å; E335-N339 PolarHBondContact O-N 3.24Å; E335-N339 PolarHBondContact O-ND2 3.18Å
336	D	82.6	Confident	75.7	Confident	80 Å²	80	99 Å²	99	43%	0.428	49%	0.489	S	S	.	.	H	α-helix	trans	-55.9	-48.8	169.6	-76.1	-24.7	0	0	0	111	S332 K333 N339 E340	S332-D336 PolarHBondContact O-N 2.78Å; K333-D336 IonicContact NZ-OD2 3.32Å; K333-D336 PolarHBondContact NZ-OD2 2.81Å; D336-N339 PolarHBondContact O-N 2.87Å; D336-N339 VanDerWaalsContact O-N 3.16Å; D336-E340 PolarHBondContact O-N 3.36Å
337	L	70.2	Confident	75.9	Confident	99 Å²	99	100.2 Å²	100.2	52%	0.518	49%	0.49	S	S	.	.	H	α-helix	trans	-65.3	-39.5	179.4	-73.6	169.1	0	0	0	112.3	K333 E334 E335 N339 E340 I341	K333-L337 WeakPolarHBondContact O-CB 3.32Å; K333-L337 VanDerWaalsContact O-CG 3.24Å; K333-L337 WeakPolarHBondContact O-CG 3.48Å; K333-L337 PolarHBondContact O-N 2.88Å; E334-L337 PolarHBondContact O-N 3.06Å; E335-L337 VanDerWaalsContact C-N 3.34Å; E335-L337 PolarHBondContact O-N 3.39Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.19Å; L337-E340 PolarHBondContact O-N 2.83Å; L337-I341 WeakPolarHBondContact O-CB 3.46Å; L337-I341 WeakPolarHBondContact O-CD1 3.47Å; L337-I341 WeakPolarHBondContact O-CG1 3.38Å; L337-I341 PolarHBondContact O-N 3.04Å
338	R	74.9	Confident	75.5	Confident	110 Å²	110	100.7 Å²	100.7	42%	0.415	49%	0.493	S	S	.	.	H	α-helix	trans	-57.6	-43.4	171.1	-88.9	-171	-84	-86.8	-1.1	111.3	E334 E335 I341 Q342	E334-R338 VanDerWaalsContact CD-CZ 3.48Å; E334-R338 VanDerWaalsContact CD-NH2 3.3Å; E334-R338 WeakPolarHBondContact O-CB 3.35Å; E334-R338 WeakPolarHBondContact O-CG 3.31Å; E334-R338 PolarHBondContact O-N 2.88Å; E334-R338 IonicContact OE1-CZ 2.78Å; E334-R338 IonicContact OE1-NH1 2.65Å; E334-R338 PolarHBondContact OE1-NH1 2.99Å; E334-R338 IonicContact OE1-NH2 2.6Å; E334-R338 IonicContact OE2-CZ 2.68Å; E334-R338 VanDerWaalsContact OE2-CZ 3.32Å; E334-R338 IonicContact OE2-NH1 2.65Å; E334-R338 PolarHBondContact OE2-NH1 2.84Å; E334-R338 VanDerWaalsContact OE2-NH1 3.07Å; E334-R338 IonicContact OE2-NH2 2.77Å; E334-R338 PolarHBondContact OE2-NH2 3.4Å; E335-R338 PolarHBondContact O-N 2.72Å; E335-R338 IonicContact OE2-CZ 2.88Å; E335-R338 IonicContact OE2-NE 2.71Å; E335-R338 PolarHBondContact OE2-NE 3.07Å; E335-R338 IonicContact OE2-NH2 2.71Å; E335-R338 PolarHBondContact OE2-NH2 3.45Å; R338-I341 PolarHBondContact O-N 3.26Å; R338-Q342 WeakPolarHBondContact O-CB 3.24Å; R338-Q342 PolarHBondContact O-N 3.48Å
339	N	83.9	Confident	75.1	Confident	89 Å²	89	96.6 Å²	96.6	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-70	-40.8	179.8	-77.3	-68.3	0	0	0	112.4	E335 D336 L337 Q342 D343	E335-N339 WeakPolarHBondContact O-CB 3.35Å; E335-N339 PolarHBondContact O-N 3.24Å; E335-N339 PolarHBondContact O-ND2 3.18Å; D336-N339 PolarHBondContact O-N 2.87Å; D336-N339 VanDerWaalsContact O-N 3.16Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.19Å; N339-Q342 PolarHBondContact O-N 3.13Å; N339-D343 WeakPolarHBondContact O-CB 3.42Å; N339-D343 PolarHBondContact O-N 3.27Å
340	E	82.1	Confident	74.3	Confident	124 Å²	124	96 Å²	96	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-41.9	171.9	-73.1	-154.9	148.2	0	0	112.4	D336 L337 Q342 D343 L344	D336-E340 PolarHBondContact O-N 3.36Å; L337-E340 PolarHBondContact O-N 2.83Å; E340-Q342 VanDerWaalsContact C-N 3.32Å; E340-Q342 PolarHBondContact O-N 2.87Å; E340-D343 PolarHBondContact O-N 2.86Å; E340-L344 VanDerWaalsContact O-CB 3.32Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.29Å; E340-L344 PolarHBondContact O-N 2.81Å
341	I	71.1	Confident	73.6	Confident	108 Å²	108	94 Å²	94	55%	0.554	47%	0.468	S	S	*	.	H	α-helix	trans	-62.8	-40.3	175.7	-71.1	165.7	0	0	0	110.8	L337 R338 K345	L337-I341 WeakPolarHBondContact O-CB 3.46Å; L337-I341 WeakPolarHBondContact O-CD1 3.47Å; L337-I341 WeakPolarHBondContact O-CG1 3.38Å; L337-I341 PolarHBondContact O-N 3.04Å; R338-I341 PolarHBondContact O-N 3.26Å; I341-K345 WeakPolarHBondContact O-CB 3.2Å; I341-K345 PolarHBondContact O-N 3.06Å
342	Q	76.3	Confident	72.6	Confident	108 Å²	108	95.8 Å²	95.8	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-67.8	-42.7	177.6	-164.9	82.3	-49.2	0	0	111.7	R338 N339 E340 K345 I346	R338-Q342 WeakPolarHBondContact O-CB 3.24Å; R338-Q342 PolarHBondContact O-N 3.48Å; N339-Q342 PolarHBondContact O-N 3.13Å; E340-Q342 VanDerWaalsContact C-N 3.32Å; E340-Q342 PolarHBondContact O-N 2.87Å; Q342-K345 PolarHBondContact O-N 3.43Å; Q342-I346 HydrophobicContact CG-CD1 4.41Å; Q342-I346 VanDerWaalsContact O-CG1 3.29Å; Q342-I346 WeakPolarHBondContact O-CG1 3.44Å; Q342-I346 PolarHBondContact O-N 2.87Å
343	D	83.3	Confident	71.2	Confident	68 Å²	68	100.5 Å²	100.5	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-44.5	174.7	172.7	76.1	0	0	0	112.3	N339 E340 K345 I346 K347	N339-D343 WeakPolarHBondContact O-CB 3.42Å; N339-D343 PolarHBondContact O-N 3.27Å; E340-D343 PolarHBondContact O-N 2.86Å; D343-K345 VanDerWaalsContact C-N 3.34Å; D343-K345 PolarHBondContact O-N 3.48Å; D343-I346 PolarHBondContact O-N 3.24Å; D343-K347 WeakPolarHBondContact O-CB 3.37Å; D343-K347 WeakPolarHBondContact O-CG 3.38Å; D343-K347 PolarHBondContact O-N 3.35Å; D343-K347 WeakPolarHBondContact OD1-CE 3.41Å; D343-K347 IonicContact OD1-NZ 3.24Å; D343-K347 PolarHBondContact OD1-NZ 3.23Å; D343-K347 WeakPolarHBondContact OD2-CD 3.42Å; D343-K347 WeakPolarHBondContact OD2-CE 3.33Å; D343-K347 IonicContact OD2-NZ 3.66Å; D343-K347 PolarHBondContact OD2-NZ 3.4Å
344	L	70.6	Confident	69.7	Low	82 Å²	82	98.8 Å²	98.8	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-59.4	-44.2	172.2	-76.9	167.5	0	0	0	111.2	E340 I346 K347 V348	E340-L344 VanDerWaalsContact O-CB 3.32Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.29Å; E340-L344 PolarHBondContact O-N 2.81Å; L344-I346 PolarHBondContact O-N 2.86Å; L344-K347 PolarHBondContact O-N 2.91Å; L344-V348 WeakPolarHBondContact O-CB 3.34Å; L344-V348 VanDerWaalsContact O-CG2 3.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.46Å; L344-V348 PolarHBondContact O-N 3.16Å
345	K	67.4	Low	68.6	Low	130 Å²	130	102.4 Å²	102.4	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-64.3	-37.8	178.2	-172.9	175.7	-176.1	177.1	0	112.4	I341 Q342 D343 S349	I341-K345 WeakPolarHBondContact O-CB 3.2Å; I341-K345 PolarHBondContact O-N 3.06Å; Q342-K345 PolarHBondContact O-N 3.43Å; D343-K345 VanDerWaalsContact C-N 3.34Å; D343-K345 PolarHBondContact O-N 3.48Å; K345-S349 WeakPolarHBondContact O-CB 3.09Å; K345-S349 PolarHBondContact O-N 2.79Å; K345-S349 PolarHBondContact O-OG 3.34Å
346	I	74.8	Confident	67	Low	92 Å²	92	103.8 Å²	103.8	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-49.6	172.1	-69.8	162.4	0	0	0	110	Q342 D343 L344 V348 S349 D350	Q342-I346 HydrophobicContact CG-CD1 4.41Å; Q342-I346 VanDerWaalsContact O-CG1 3.29Å; Q342-I346 WeakPolarHBondContact O-CG1 3.44Å; Q342-I346 PolarHBondContact O-N 2.87Å; D343-I346 PolarHBondContact O-N 3.24Å; L344-I346 PolarHBondContact O-N 2.86Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 PolarHBondContact O-N 3.27Å; I346-S349 CarbonylContact O-C 3.46Å; I346-S349 WeakPolarHBondContact O-CA 3.25Å; I346-S349 WeakPolarHBondContact O-CB 3.16Å; I346-S349 PolarHBondContact O-N 2.85Å; I346-D350 PolarHBondContact O-N 3.47Å
347	K	69.4	Low	65.2	Low	114 Å²	114	103.8 Å²	103.8	50%	0.496	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-34.3	-179.7	-73.7	167.7	-176.5	162.7	0	113.3	D343 L344 L351	D343-K347 WeakPolarHBondContact O-CB 3.37Å; D343-K347 WeakPolarHBondContact O-CG 3.38Å; D343-K347 PolarHBondContact O-N 3.35Å; D343-K347 WeakPolarHBondContact OD1-CE 3.41Å; D343-K347 IonicContact OD1-NZ 3.24Å; D343-K347 PolarHBondContact OD1-NZ 3.23Å; D343-K347 WeakPolarHBondContact OD2-CD 3.42Å; D343-K347 WeakPolarHBondContact OD2-CE 3.33Å; D343-K347 IonicContact OD2-NZ 3.66Å; D343-K347 PolarHBondContact OD2-NZ 3.4Å; L344-K347 PolarHBondContact O-N 2.91Å; K347-L351 WeakPolarHBondContact O-CB 3.49Å; K347-L351 WeakPolarHBondContact O-CG 3.42Å; K347-L351 PolarHBondContact O-N 3.26Å
348	V	62.9	Low	64.4	Low	79 Å²	79	103.1 Å²	103.1	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-69.6	-38.4	170.6	170	0	0	0	0	111.4	L344 I346 D350 L351 Q352	L344-V348 WeakPolarHBondContact O-CB 3.34Å; L344-V348 VanDerWaalsContact O-CG2 3.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.46Å; L344-V348 PolarHBondContact O-N 3.16Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 PolarHBondContact O-N 3.27Å; V348-D350 VanDerWaalsContact C-N 3.35Å; V348-D350 PolarHBondContact O-N 3.08Å; V348-L351 WeakPolarHBondContact O-CB 3.29Å; V348-L351 PolarHBondContact O-N 2.8Å; V348-Q352 PolarHBondContact O-N 2.89Å
349	S	69.1	Low	63.4	Low	46 Å²	46	102.6 Å²	102.6	32%	0.322	55%	0.554	S	S	.	*	H	α-helix	trans	-67.3	-33.6	176.3	-58.8	0	0	0	0	112.9	K345 I346 K353	K345-S349 WeakPolarHBondContact O-CB 3.09Å; K345-S349 PolarHBondContact O-N 2.79Å; K345-S349 PolarHBondContact O-OG 3.34Å; I346-S349 CarbonylContact O-C 3.46Å; I346-S349 WeakPolarHBondContact O-CA 3.25Å; I346-S349 WeakPolarHBondContact O-CB 3.16Å; I346-S349 PolarHBondContact O-N 2.85Å; S349-K353 WeakPolarHBondContact O-CE 3.46Å; S349-K353 WeakPolarHBondContact O-CG 3.19Å
350	D	63.1	Low	61.7	Low	85 Å²	85	104.7 Å²	104.7	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-81.1	-30.4	175.4	-69.1	-21.9	0	0	0	112.2	I346 V348 Q352 K353 A354	I346-D350 PolarHBondContact O-N 3.47Å; V348-D350 VanDerWaalsContact C-N 3.35Å; V348-D350 PolarHBondContact O-N 3.08Å; D350-Q352 VanDerWaalsContact C-N 3.3Å; D350-Q352 PolarHBondContact O-N 3.44Å; D350-K353 PolarHBondContact O-N 2.85Å; D350-K353 VanDerWaalsContact O-N 3.16Å; D350-K353 IonicContact OD1-NZ 2.65Å; D350-K353 PolarHBondContact OD1-NZ 3.26Å; D350-A354 PolarHBondContact O-N 2.85Å
351	L	51.3	Low	60.4	Low	85 Å²	85	101.2 Å²	101.2	45%	0.445	55%	0.546	S	S	.	.	H	α-helix	trans	-55.7	-42.9	164.6	-96.5	160.7	0	0	0	111.9	K347 V348 K353 A354 R365	K347-L351 WeakPolarHBondContact O-CB 3.49Å; K347-L351 WeakPolarHBondContact O-CG 3.42Å; K347-L351 PolarHBondContact O-N 3.26Å; V348-L351 WeakPolarHBondContact O-CB 3.29Å; V348-L351 PolarHBondContact O-N 2.8Å; L351-K353 VanDerWaalsContact C-N 3.25Å; L351-K353 PolarHBondContact O-N 3.21Å; L351-A354 PolarHBondContact O-N 3.34Å; L351-R365 VanDerWaalsContact CD2-CZ 3.45Å; L351-R365 VanDerWaalsContact CD2-NH2 3.32Å
352	Q	52.3	Low	59.6	Low	161 Å²	161	100.3 Å²	100.3	75%	0.752	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.4	177.4	-76.6	-175.3	-35	0	0	114.8	V348 D350	V348-Q352 PolarHBondContact O-N 2.89Å; D350-Q352 VanDerWaalsContact C-N 3.3Å; D350-Q352 PolarHBondContact O-N 3.44Å
353	K	54.7	Low	58.6	Low	153 Å²	153	99.1 Å²	99.1	67%	0.665	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-10.9	178.6	-67.3	168.5	-159.3	156.7	0	113.7	S349 D350 L351	S349-K353 WeakPolarHBondContact O-CE 3.46Å; S349-K353 WeakPolarHBondContact O-CG 3.19Å; D350-K353 PolarHBondContact O-N 2.85Å; D350-K353 VanDerWaalsContact O-N 3.16Å; D350-K353 IonicContact OD1-NZ 2.65Å; D350-K353 PolarHBondContact OD1-NZ 3.26Å; L351-K353 VanDerWaalsContact C-N 3.25Å; L351-K353 PolarHBondContact O-N 3.21Å
354	A	47.4	Very low	57.5	Low	65 Å²	65	99.6 Å²	99.6	54%	0.537	55%	0.551	S	S	.	*	S	Bend	trans	-75.5	129.4	177.5	0	0	0	0	0	110.6	D350 L351	D350-A354 PolarHBondContact O-N 2.85Å; L351-A354 PolarHBondContact O-N 3.34Å
355	Q	50	Low	56.9	Low	180 Å²	180	102 Å²	102	84%	0.841	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.3	178.5	-75.7	-82.6	-11	0	0	111.5	G357	Q355-G357 PolarHBondContact O-N 3.12Å
356	P	48.9	Very low	56.5	Low	122 Å²	122	100.8 Å²	100.8	79%	0.792	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-71.3	127.9	178.5	29.7	-33.9	0	0	0	110.8
357	G	46.5	Very low	55.9	Low	80 Å²	80	102.2 Å²	102.2	83%	0.825	56%	0.558	S	S	*	*			trans	-158.5	-19.2	-176.6	0	0	0	0	0	117.9	Q355	Q355-G357 PolarHBondContact O-N 3.12Å
358	D	53.1	Low	55.7	Low	85 Å²	85	101.4 Å²	101.4	46%	0.455	56%	0.559	S	S	.	*			trans	-151	116.9	178.8	177.4	12.3	0	0	0	112.2	Y360	D358-Y360 PolarHBondContact OD1-N 3.13Å
359	P	52.6	Low	55.6	Low	98 Å²	98	102.5 Å²	102.5	64%	0.636	56%	0.562	S	S	*	*	H	α-helix	trans	-61.8	-36	174.4	-23.6	35	0	0	0	114.8	S361 V362 L363	P359-S361 VanDerWaalsContact C-N 3.26Å; P359-S361 PolarHBondContact O-N 2.91Å; P359-V362 PolarHBondContact O-N 3.4Å; P359-L363 PolarHBondContact O-N 2.84Å
360	Y	49.8	Very low	55.4	Low	133 Å²	133	103.9 Å²	103.9	52%	0.522	56%	0.563	S	S	.	*	H	α-helix	trans	-68.1	-28.3	-174.2	-71.1	-77	0	0	0	112.4	D358 V362 S364	D358-Y360 PolarHBondContact OD1-N 3.13Å; Y360-V362 VanDerWaalsContact C-N 3.31Å; Y360-V362 PolarHBondContact O-N 3.16Å; Y360-S364 WeakPolarHBondContact O-CB 3.24Å; Y360-S364 PolarHBondContact O-N 3.49Å; Y360-S364 PolarHBondContact O-OG 3Å
361	S	54.2	Low	55.6	Low	51 Å²	51	104.6 Å²	104.6	36%	0.357	57%	0.567	S	S	.	*	H	α-helix	trans	-60.7	-36.6	170.4	-172.5	0	0	0	0	112.7	P359 R365	P359-S361 VanDerWaalsContact C-N 3.26Å; P359-S361 PolarHBondContact O-N 2.91Å; S361-R365 WeakPolarHBondContact O-CB 3.32Å; S361-R365 VanDerWaalsContact O-CD 3.24Å; S361-R365 WeakPolarHBondContact O-CD 3.41Å; S361-R365 WeakPolarHBondContact O-CG 3.37Å; S361-R365 PolarHBondContact O-N 3.22Å
362	V	54.7	Low	55.8	Low	89 Å²	89	107.7 Å²	107.7	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-75.8	-47.3	-175.8	-176.2	0	0	0	0	111.2	P359 Y360 S364 R365 L366	P359-V362 PolarHBondContact O-N 3.4Å; Y360-V362 VanDerWaalsContact C-N 3.31Å; Y360-V362 PolarHBondContact O-N 3.16Å; V362-S364 PolarHBondContact O-N 3.02Å; V362-R365 PolarHBondContact O-N 3.13Å; V362-R365 VanDerWaalsContact O-N 3.17Å; V362-L366 HydrophobicContact CG1-CD1 4.2Å; V362-L366 PolarHBondContact O-N 3.03Å
363	L	55.5	Low	56.4	Low	83 Å²	83	105.3 Å²	105.3	44%	0.435	57%	0.565	S	S	.	*	H	α-helix	trans	-58.3	-47.4	175.6	-81.1	165.2	0	0	0	111.6	P359 R365 L366 Q367	P359-L363 PolarHBondContact O-N 2.84Å; L363-R365 PolarHBondContact O-N 3.49Å; L363-L366 PolarHBondContact O-N 3.36Å; L363-Q367 PolarHBondContact O-N 2.89Å
364	S	58.5	Low	56.7	Low	78 Å²	78	101.5 Å²	101.5	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-58	-33.6	177.6	-57.9	0	0	0	0	112.9	Y360 V362 N368	Y360-S364 WeakPolarHBondContact O-CB 3.24Å; Y360-S364 PolarHBondContact O-N 3.49Å; Y360-S364 PolarHBondContact O-OG 3Å; V362-S364 PolarHBondContact O-N 3.02Å; S364-N368 WeakPolarHBondContact O-CB 3.16Å; S364-N368 PolarHBondContact O-N 3.12Å
365	R	58.3	Low	57.7	Low	133 Å²	133	101.7 Å²	101.7	50%	0.502	55%	0.549	S	S	.	.	H	α-helix	trans	-82.4	-36.3	179.7	-69.7	168.4	82.2	174.4	5.9	112.4	L351 S361 V362 L363 N368 L369	L351-R365 VanDerWaalsContact CD2-CZ 3.45Å; L351-R365 VanDerWaalsContact CD2-NH2 3.32Å; S361-R365 WeakPolarHBondContact O-CB 3.32Å; S361-R365 VanDerWaalsContact O-CD 3.24Å; S361-R365 WeakPolarHBondContact O-CD 3.41Å; S361-R365 WeakPolarHBondContact O-CG 3.37Å; S361-R365 PolarHBondContact O-N 3.22Å; V362-R365 PolarHBondContact O-N 3.13Å; V362-R365 VanDerWaalsContact O-N 3.17Å; L363-R365 PolarHBondContact O-N 3.49Å; R365-N368 PolarHBondContact O-N 3.07Å; R365-L369 WeakPolarHBondContact O-CB 3.4Å; R365-L369 PolarHBondContact O-N 2.81Å
366	L	60	Low	58.5	Low	104 Å²	104	96.5 Å²	96.5	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-46.6	171.4	-79.2	168.6	0	0	0	111.3	V362 L363 N368 L369 E370	V362-L366 HydrophobicContact CG1-CD1 4.2Å; V362-L366 PolarHBondContact O-N 3.03Å; L363-L366 PolarHBondContact O-N 3.36Å; L366-N368 VanDerWaalsContact C-N 3.31Å; L366-N368 PolarHBondContact O-N 3.02Å; L366-L369 WeakPolarHBondContact O-CA 3.42Å; L366-L369 WeakPolarHBondContact O-CB 3.5Å; L366-L369 PolarHBondContact O-N 2.97Å; L366-L369 VanDerWaalsContact O-N 3.07Å; L366-E370 PolarHBondContact O-N 3.08Å
367	Q	62.2	Low	59.3	Low	122 Å²	122	96.2 Å²	96.2	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-68.9	-29.4	-179.9	-158.7	170	19.4	0	0	112.4	L363 N371	L363-Q367 PolarHBondContact O-N 2.89Å; Q367-N371 WeakPolarHBondContact O-CB 3.26Å; Q367-N371 VanDerWaalsContact O-CG 3.25Å; Q367-N371 PolarHBondContact O-N 2.95Å; Q367-N371 PolarHBondContact O-ND2 3.02Å; Q367-N371 VanDerWaalsContact O-ND2 3.13Å
368	N	64.7	Low	60.2	Low	98 Å²	98	96.3 Å²	96.3	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-42.5	168	-168.5	-85.2	0	0	0	111.9	S364 R365 L366 N371 R372	S364-N368 WeakPolarHBondContact O-CB 3.16Å; S364-N368 PolarHBondContact O-N 3.12Å; R365-N368 PolarHBondContact O-N 3.07Å; L366-N368 VanDerWaalsContact C-N 3.31Å; L366-N368 PolarHBondContact O-N 3.02Å; N368-N371 PolarHBondContact O-N 2.77Å; N368-R372 WeakPolarHBondContact O-CG 3.31Å; N368-R372 PolarHBondContact O-N 2.85Å
369	L	60.8	Low	61	Low	101 Å²	101	95.2 Å²	95.2	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-43.7	177.3	-155	81.9	0	0	0	111.6	R365 L366 R372 L373	R365-L369 WeakPolarHBondContact O-CB 3.4Å; R365-L369 PolarHBondContact O-N 2.81Å; L366-L369 WeakPolarHBondContact O-CA 3.42Å; L366-L369 WeakPolarHBondContact O-CB 3.5Å; L366-L369 PolarHBondContact O-N 2.97Å; L366-L369 VanDerWaalsContact O-N 3.07Å; L369-R372 PolarHBondContact O-N 2.68Å; L369-L373 WeakPolarHBondContact O-CB 3.44Å; L369-L373 PolarHBondContact O-N 2.97Å
370	E	65.6	Low	61.3	Low	75 Å²	75	95.6 Å²	95.6	35%	0.35	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-46.7	176.4	-176.5	-179.3	-166.4	0	0	111.7	L366 R372 L373 N374 K490	L366-E370 PolarHBondContact O-N 3.08Å; E370-R372 VanDerWaalsContact C-N 3.28Å; E370-R372 PolarHBondContact O-N 2.85Å; E370-L373 PolarHBondContact O-N 3.44Å; E370-N374 WeakPolarHBondContact O-CB 3.48Å; E370-N374 PolarHBondContact O-N 2.77Å; E370-N374 PolarHBondContact O-ND2 2.73Å; E370-K490 WeakPolarHBondContact OE1-CE 3.39Å; E370-K490 IonicContact OE1-NZ 2.66Å; E370-K490 PolarHBondContact OE1-NZ 2.87Å
371	N	66.1	Low	61.9	Low	101 Å²	101	93.3 Å²	93.3	54%	0.54	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-37.2	175.3	-75.8	-28.9	0	0	0	112.1	Q367 N368 S375	Q367-N371 WeakPolarHBondContact O-CB 3.26Å; Q367-N371 VanDerWaalsContact O-CG 3.25Å; Q367-N371 PolarHBondContact O-N 2.95Å; Q367-N371 PolarHBondContact O-ND2 3.02Å; Q367-N371 VanDerWaalsContact O-ND2 3.13Å; N368-N371 PolarHBondContact O-N 2.77Å; N371-S375 WeakPolarHBondContact O-CB 3.32Å; N371-S375 PolarHBondContact O-N 2.85Å; N371-S375 VanDerWaalsContact O-N 3.08Å
372	R	57.2	Low	62.7	Low	149 Å²	149	93.7 Å²	93.7	56%	0.562	51%	0.507	S	S	*	.	H	α-helix	trans	-68.1	-42.8	173.4	-75	-175.2	65.6	-151.3	-6.1	112.2	N368 L369 E370 S375 T376	N368-R372 WeakPolarHBondContact O-CG 3.31Å; N368-R372 PolarHBondContact O-N 2.85Å; L369-R372 PolarHBondContact O-N 2.68Å; E370-R372 VanDerWaalsContact C-N 3.28Å; E370-R372 PolarHBondContact O-N 2.85Å; R372-S375 WeakPolarHBondContact CA-OG 3.26Å; R372-S375 PolarHBondContact O-N 2.89Å; R372-S375 VanDerWaalsContact O-N 3.12Å; R372-S375 PolarHBondContact O-OG 3.5Å; R372-T376 PolarHBondContact O-N 3.03Å; R372-T376 PolarHBondContact O-OG1 3.09Å
373	L	64.1	Low	62.9	Low	112 Å²	112	95.2 Å²	95.2	59%	0.586	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-44	177.4	-165.5	75.6	0	0	0	111.6	L369 E370 S375 T376 Q377	L369-L373 WeakPolarHBondContact O-CB 3.44Å; L369-L373 PolarHBondContact O-N 2.97Å; E370-L373 PolarHBondContact O-N 3.44Å; L373-S375 VanDerWaalsContact C-N 3.29Å; L373-S375 PolarHBondContact O-N 3.36Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.75Å; L373-T376 VanDerWaalsContact O-OG1 3.1Å; L373-Q377 VanDerWaalsContact O-CB 3.26Å; L373-Q377 WeakPolarHBondContact O-CB 3.38Å; L373-Q377 PolarHBondContact O-N 3.47Å
374	N	61.8	Low	62.7	Low	73 Å²	73	95.2 Å²	95.2	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-37.1	173.2	-72.9	-38.1	0	0	0	111.7	E370 S378	E370-N374 WeakPolarHBondContact O-CB 3.48Å; E370-N374 PolarHBondContact O-N 2.77Å; E370-N374 PolarHBondContact O-ND2 2.73Å; N374-S378 VanDerWaalsContact O-CB 3.26Å; N374-S378 WeakPolarHBondContact O-CB 3.05Å; N374-S378 PolarHBondContact O-N 2.83Å
375	S	67.9	Low	62.8	Low	69 Å²	69	95.5 Å²	95.5	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-69.1	-41.1	176.5	78.7	0	0	0	0	113.1	N371 R372 L373 S379	N371-S375 WeakPolarHBondContact O-CB 3.32Å; N371-S375 PolarHBondContact O-N 2.85Å; N371-S375 VanDerWaalsContact O-N 3.08Å; R372-S375 WeakPolarHBondContact CA-OG 3.26Å; R372-S375 PolarHBondContact O-N 2.89Å; R372-S375 VanDerWaalsContact O-N 3.12Å; R372-S375 PolarHBondContact O-OG 3.5Å; L373-S375 VanDerWaalsContact C-N 3.29Å; L373-S375 PolarHBondContact O-N 3.36Å; S375-S379 WeakPolarHBondContact O-CB 3.19Å; S375-S379 PolarHBondContact O-N 2.97Å
376	T	66.4	Low	62.9	Low	70 Å²	70	92 Å²	92	43%	0.429	51%	0.508	S	S	.	.	H	α-helix	trans	-72.6	-38	176.3	46.7	0	0	0	0	111.8	R372 L373 S379 L380	R372-T376 PolarHBondContact O-N 3.03Å; R372-T376 PolarHBondContact O-OG1 3.09Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.75Å; L373-T376 VanDerWaalsContact O-OG1 3.1Å; T376-S379 WeakPolarHBondContact O-CB 3.41Å; T376-S379 PolarHBondContact O-N 2.79Å; T376-L380 WeakPolarHBondContact O-CB 3.26Å; T376-L380 PolarHBondContact O-N 2.89Å
377	Q	64.8	Low	62.8	Low	116 Å²	116	89.3 Å²	89.3	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-45.7	172	-177.1	177.2	-6.5	0	0	111.5	L373 S379 L380 V381	L373-Q377 VanDerWaalsContact O-CB 3.26Å; L373-Q377 WeakPolarHBondContact O-CB 3.38Å; L373-Q377 PolarHBondContact O-N 3.47Å; Q377-S379 VanDerWaalsContact C-N 3.34Å; Q377-S379 PolarHBondContact O-N 3.3Å; Q377-L380 PolarHBondContact O-N 2.9Å; Q377-V381 VanDerWaalsContact O-CG2 3.32Å; Q377-V381 WeakPolarHBondContact O-CG2 3.45Å; Q377-V381 PolarHBondContact O-N 3.47Å
378	S	66.1	Low	62.4	Low	83 Å²	83	84.8 Å²	84.8	58%	0.58	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-40.7	175.7	-168.5	0	0	0	0	112	N374 A382	N374-S378 VanDerWaalsContact O-CB 3.26Å; N374-S378 WeakPolarHBondContact O-CB 3.05Å; N374-S378 PolarHBondContact O-N 2.83Å; S378-A382 WeakPolarHBondContact O-CB 3.44Å; S378-A382 PolarHBondContact O-N 3.26Å
379	S	69.3	Low	62.6	Low	61 Å²	61	84.5 Å²	84.5	43%	0.427	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-45.8	174.9	-168.7	0	0	0	0	112.6	S375 T376 Q377 A382 Q383	S375-S379 WeakPolarHBondContact O-CB 3.19Å; S375-S379 PolarHBondContact O-N 2.97Å; T376-S379 WeakPolarHBondContact O-CB 3.41Å; T376-S379 PolarHBondContact O-N 2.79Å; Q377-S379 VanDerWaalsContact C-N 3.34Å; Q377-S379 PolarHBondContact O-N 3.3Å; S379-A382 PolarHBondContact O-N 2.9Å; S379-Q383 WeakPolarHBondContact O-CG 3.41Å; S379-Q383 PolarHBondContact O-N 2.92Å
380	L	59.3	Low	62.8	Low	106 Å²	106	84.1 Å²	84.1	56%	0.555	48%	0.481	S	S	*	.	H	α-helix	trans	-62.6	-45.1	176.4	-104.3	129.4	0	0	0	111.7	T376 Q377 A382 Q383 C384	T376-L380 WeakPolarHBondContact O-CB 3.26Å; T376-L380 PolarHBondContact O-N 2.89Å; Q377-L380 PolarHBondContact O-N 2.9Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 2.88Å; L380-Q383 PolarHBondContact O-N 2.87Å; L380-C384 WeakPolarHBondContact O-CB 3.37Å; L380-C384 PolarHBondContact O-N 3.4Å; L380-C384 PolarHBondContact O-SG 2.66Å
381	V	63.6	Low	62.3	Low	86 Å²	86	85.4 Å²	85.4	52%	0.521	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-44.1	175.9	169.8	0	0	0	0	110.9	Q377 Q383 C384 V385	Q377-V381 VanDerWaalsContact O-CG2 3.32Å; Q377-V381 WeakPolarHBondContact O-CG2 3.45Å; Q377-V381 PolarHBondContact O-N 3.47Å; V381-Q383 PolarHBondContact O-N 2.85Å; V381-C384 PolarHBondContact O-N 2.83Å; V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.16Å; V381-V385 PolarHBondContact O-N 3.12Å
382	A	69.1	Low	62.2	Low	59 Å²	59	86.7 Å²	86.7	49%	0.488	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-40	176.2	0	0	0	0	0	112.8	S378 S379 L380 S386	S378-A382 WeakPolarHBondContact O-CB 3.44Å; S378-A382 PolarHBondContact O-N 3.26Å; S379-A382 PolarHBondContact O-N 2.9Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 2.88Å; A382-S386 PolarHBondContact O-N 3.27Å; A382-S386 PolarHBondContact O-OG 3.08Å
383	Q	60.6	Low	63	Low	121 Å²	121	83.7 Å²	83.7	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-69	-40.7	176	-72.9	179.6	1.6	0	0	112.6	S379 L380 V381 V385 S386 A387	S379-Q383 WeakPolarHBondContact O-CG 3.41Å; S379-Q383 PolarHBondContact O-N 2.92Å; L380-Q383 PolarHBondContact O-N 2.87Å; V381-Q383 PolarHBondContact O-N 2.85Å; Q383-V385 VanDerWaalsContact C-N 3.35Å; Q383-S386 PolarHBondContact O-N 3.1Å; Q383-S386 PolarHBondContact O-OG 3.22Å; Q383-S386 VanDerWaalsContact O-OG 3.06Å; Q383-A387 VanDerWaalsContact O-CB 3.32Å; Q383-A387 WeakPolarHBondContact O-CB 3.08Å; Q383-A387 PolarHBondContact O-N 3.35Å
384	C	51.2	Low	63.2	Low	83 Å²	83	84.4 Å²	84.4	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-64.4	-39.2	175	-69.4	0	0	0	0	112	L380 V381 G388	L380-C384 WeakPolarHBondContact O-CB 3.37Å; L380-C384 PolarHBondContact O-N 3.4Å; L380-C384 PolarHBondContact O-SG 2.66Å; V381-C384 PolarHBondContact O-N 2.83Å; C384-G388 PolarHBondContact O-N 2.93Å
385	V	60.3	Low	62.9	Low	84 Å²	84	87 Å²	87	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-47.2	174.2	170	0	0	0	0	110.8	V381 Q383 G388 E389	V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.16Å; V381-V385 PolarHBondContact O-N 3.12Å; Q383-V385 VanDerWaalsContact C-N 3.35Å; V385-G388 PolarHBondContact O-N 2.93Å; V385-E389 WeakPolarHBondContact O-CB 3.27Å; V385-E389 PolarHBondContact O-N 3.48Å
386	S	60.2	Low	62.9	Low	58 Å²	58	90.3 Å²	90.3	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-68.5	-35.7	-179.8	68.4	0	0	0	0	113.4	A382 Q383 E389 N390	A382-S386 PolarHBondContact O-N 3.27Å; A382-S386 PolarHBondContact O-OG 3.08Å; Q383-S386 PolarHBondContact O-N 3.1Å; Q383-S386 PolarHBondContact O-OG 3.22Å; Q383-S386 VanDerWaalsContact O-OG 3.06Å; S386-E389 PolarHBondContact O-N 2.93Å; S386-N390 PolarHBondContact O-N 3Å
387	A	58.2	Low	63.3	Low	49 Å²	49	92 Å²	92	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-44.6	172.9	0	0	0	0	0	111.7	Q383 E389 N390 L391	Q383-A387 VanDerWaalsContact O-CB 3.32Å; Q383-A387 WeakPolarHBondContact O-CB 3.08Å; Q383-A387 PolarHBondContact O-N 3.35Å; A387-E389 VanDerWaalsContact C-N 3.27Å; A387-E389 PolarHBondContact O-N 2.69Å; A387-N390 PolarHBondContact O-N 2.84Å; A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 3.47Å
388	G	54.3	Low	63.2	Low	26 Å²	26	89.4 Å²	89.4	27%	0.268	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-29	174	0	0	0	0	0	113.4	C384 V385 R392	C384-G388 PolarHBondContact O-N 2.93Å; V385-G388 PolarHBondContact O-N 2.93Å; G388-R392 VanDerWaalsContact C-NH1 3.33Å; G388-R392 WeakPolarHBondContact O-CG 3.5Å; G388-R392 PolarHBondContact O-N 2.95Å; G388-R392 PolarHBondContact O-NH1 3.38Å
389	E	68.1	Low	63.2	Low	92 Å²	92	91 Å²	91	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-74	-43.7	175.2	-164.3	131.7	-103.9	0	0	112.1	V385 S386 A387 L391 R392 N393	V385-E389 WeakPolarHBondContact O-CB 3.27Å; V385-E389 PolarHBondContact O-N 3.48Å; S386-E389 PolarHBondContact O-N 2.93Å; A387-E389 VanDerWaalsContact C-N 3.27Å; A387-E389 PolarHBondContact O-N 2.69Å; E389-L391 PolarHBondContact O-N 3.19Å; E389-R392 VanDerWaalsContact CD-NH2 3.34Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-CZ 3.49Å; E389-R392 IonicContact OE1-NH2 2.75Å; E389-R392 PolarHBondContact OE1-NH2 3.36Å; E389-N393 PolarHBondContact O-N 3.02Å; E389-N393 PolarHBondContact O-ND2 3.36Å; E389-N393 VanDerWaalsContact O-ND2 3.17Å
390	N	64.3	Low	63.7	Low	94 Å²	94	93.6 Å²	93.6	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-45.5	172.3	-70.8	-17	0	0	0	111.7	S386 A387 R392 N393 E394	S386-N390 PolarHBondContact O-N 3Å; A387-N390 PolarHBondContact O-N 2.84Å; N390-R392 VanDerWaalsContact C-N 3.31Å; N390-R392 PolarHBondContact O-N 3.12Å; N390-N393 PolarHBondContact O-N 3.09Å; N390-N393 VanDerWaalsContact O-N 3.12Å; N390-E394 WeakPolarHBondContact O-CG 3.47Å; N390-E394 PolarHBondContact O-N 3.1Å
391	L	55.9	Low	64.5	Low	101 Å²	101	92.1 Å²	92.1	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-60.9	-35.9	177	-77.4	165.8	0	0	0	113.1	A387 E389 Q395	A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 3.47Å; E389-L391 PolarHBondContact O-N 3.19Å; L391-Q395 WeakPolarHBondContact O-CB 3.32Å; L391-Q395 VanDerWaalsContact O-CG 3.31Å; L391-Q395 WeakPolarHBondContact O-CG 3.32Å; L391-Q395 PolarHBondContact O-N 2.93Å; L391-Q395 VanDerWaalsContact O-N 3.09Å
392	R	64.3	Low	64.5	Low	129 Å²	129	94.1 Å²	94.1	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-46.7	171.9	-75.7	-172.4	-58.7	-86.6	12.8	111.5	G388 E389 N390 E394 Q395 E396	G388-R392 VanDerWaalsContact C-NH1 3.33Å; G388-R392 WeakPolarHBondContact O-CG 3.5Å; G388-R392 PolarHBondContact O-N 2.95Å; G388-R392 PolarHBondContact O-NH1 3.38Å; E389-R392 VanDerWaalsContact CD-NH2 3.34Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-CZ 3.49Å; E389-R392 IonicContact OE1-NH2 2.75Å; E389-R392 PolarHBondContact OE1-NH2 3.36Å; N390-R392 VanDerWaalsContact C-N 3.31Å; N390-R392 PolarHBondContact O-N 3.12Å; R392-E394 PolarHBondContact O-N 3.46Å; R392-Q395 PolarHBondContact O-N 2.93Å; R392-E396 PolarHBondContact O-N 3.14Å
393	N	73	Confident	64.6	Low	85 Å²	85	97.8 Å²	97.8	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-40.5	-178.8	-62.5	-26.8	0	0	0	111.9	E389 N390 E396 E397	E389-N393 PolarHBondContact O-N 3.02Å; E389-N393 PolarHBondContact O-ND2 3.36Å; E389-N393 VanDerWaalsContact O-ND2 3.17Å; N390-N393 PolarHBondContact O-N 3.09Å; N390-N393 VanDerWaalsContact O-N 3.12Å; N393-E396 PolarHBondContact O-N 3.3Å; N393-E397 PolarHBondContact O-N 2.77Å
394	E	69.3	Low	65.6	Low	128 Å²	128	97.5 Å²	97.5	60%	0.598	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-41.4	174.7	-73.3	175.5	-178.9	0	0	112	N390 R392 A398	N390-E394 WeakPolarHBondContact O-CG 3.47Å; N390-E394 PolarHBondContact O-N 3.1Å; R392-E394 PolarHBondContact O-N 3.46Å; E394-A398 VanDerWaalsContact O-CB 3.24Å; E394-A398 WeakPolarHBondContact O-CB 3.48Å; E394-A398 PolarHBondContact O-N 3.33Å
395	Q	55.2	Low	66.6	Low	128 Å²	128	96.2 Å²	96.2	60%	0.598	50%	0.497	S	S	*	.	H	α-helix	trans	-63.4	-41.9	173.9	-76.1	-179.9	-2.8	0	0	112.3	L391 R392 A398 I399	L391-Q395 WeakPolarHBondContact O-CB 3.32Å; L391-Q395 VanDerWaalsContact O-CG 3.31Å; L391-Q395 WeakPolarHBondContact O-CG 3.32Å; L391-Q395 PolarHBondContact O-N 2.93Å; L391-Q395 VanDerWaalsContact O-N 3.09Å; R392-Q395 PolarHBondContact O-N 2.93Å; Q395-A398 PolarHBondContact O-N 3.13Å; Q395-I399 WeakPolarHBondContact O-CB 3.27Å; Q395-I399 WeakPolarHBondContact O-CD1 3.4Å; Q395-I399 WeakPolarHBondContact O-CG1 3.44Å; Q395-I399 PolarHBondContact O-N 3.38Å
396	E	67.6	Low	66.8	Low	138 Å²	138	97.5 Å²	97.5	65%	0.645	50%	0.501	S	S	*	.	H	α-helix	trans	-67.8	-43.3	-179.8	-170.3	167.5	-179.8	0	0	112.2	R392 N393 I399 K400	R392-E396 PolarHBondContact O-N 3.14Å; N393-E396 PolarHBondContact O-N 3.3Å; E396-I399 PolarHBondContact O-N 3.06Å; E396-K400 WeakPolarHBondContact O-CB 3.33Å; E396-K400 PolarHBondContact O-N 2.74Å
397	E	75.8	Confident	67.5	Low	105 Å²	105	99 Å²	99	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-36.6	173.6	-72.3	-63.5	142.2	0	0	112.4	N393 K400 D401	N393-E397 PolarHBondContact O-N 2.77Å; E397-K400 WeakPolarHBondContact O-CB 3.36Å; E397-K400 PolarHBondContact O-N 3.47Å; E397-K400 IonicContact OE1-NZ 3.9Å; E397-K400 PolarHBondContact OE1-NZ 2.95Å; E397-K400 WeakPolarHBondContact OE2-CD 3.42Å; E397-K400 IonicContact OE2-NZ 2.73Å; E397-K400 PolarHBondContact OE2-NZ 3.47Å; E397-D401 PolarHBondContact O-N 2.76Å
398	A	61.8	Low	68.3	Low	62 Å²	62	101.4 Å²	101.4	51%	0.512	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-43.2	174.9	0	0	0	0	0	112.5	E394 Q395 K400 L402	E394-A398 VanDerWaalsContact O-CB 3.24Å; E394-A398 WeakPolarHBondContact O-CB 3.48Å; E394-A398 PolarHBondContact O-N 3.33Å; Q395-A398 PolarHBondContact O-N 3.13Å; A398-K400 VanDerWaalsContact C-N 3.32Å; A398-K400 PolarHBondContact O-N 2.99Å; A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.4Å; A398-L402 PolarHBondContact O-N 3.03Å
399	I	65.6	Low	69	Low	115 Å²	115	106.4 Å²	106.4	59%	0.59	52%	0.524	S	S	*	.	H	α-helix	trans	-63	-40.5	174.7	-69.7	167.3	0	0	0	110.7	Q395 E396 K403	Q395-I399 WeakPolarHBondContact O-CB 3.27Å; Q395-I399 WeakPolarHBondContact O-CD1 3.4Å; Q395-I399 WeakPolarHBondContact O-CG1 3.44Å; Q395-I399 PolarHBondContact O-N 3.38Å; E396-I399 PolarHBondContact O-N 3.06Å; I399-K403 WeakPolarHBondContact O-CB 3.31Å; I399-K403 PolarHBondContact O-N 3.3Å
400	K	80.9	Confident	69.1	Low	116 Å²	116	107.2 Å²	107.2	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-42.3	179.2	176.2	-178.4	165	-145.7	0	112.8	E396 E397 A398 K403 K404	E396-K400 WeakPolarHBondContact O-CB 3.33Å; E396-K400 PolarHBondContact O-N 2.74Å; E397-K400 WeakPolarHBondContact O-CB 3.36Å; E397-K400 PolarHBondContact O-N 3.47Å; E397-K400 IonicContact OE1-NZ 3.9Å; E397-K400 PolarHBondContact OE1-NZ 2.95Å; E397-K400 WeakPolarHBondContact OE2-CD 3.42Å; E397-K400 IonicContact OE2-NZ 2.73Å; E397-K400 PolarHBondContact OE2-NZ 3.47Å; A398-K400 VanDerWaalsContact C-N 3.32Å; A398-K400 PolarHBondContact O-N 2.99Å; K400-K403 PolarHBondContact O-N 3.17Å; K400-K404 WeakPolarHBondContact O-CB 3.44Å; K400-K404 PolarHBondContact O-N 3.46Å
401	D	75.6	Confident	69.6	Low	76 Å²	76	104.9 Å²	104.9	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-76.7	-30.4	176.6	-156	64.7	0	0	0	112.7	E397 K404 T405	E397-D401 PolarHBondContact O-N 2.76Å; D401-K404 PolarHBondContact O-N 3.3Å; D401-K404 WeakPolarHBondContact OD1-CD 3.17Å; D401-K404 IonicContact OD1-NZ 3.16Å; D401-K404 PolarHBondContact OD1-NZ 3.26Å; D401-T405 VanDerWaalsContact O-CB 3.28Å; D401-T405 WeakPolarHBondContact O-CB 3.23Å; D401-T405 PolarHBondContact O-N 3.06Å; D401-T405 PolarHBondContact O-OG1 3.19Å
402	L	62.3	Low	70.5	Confident	128 Å²	128	103 Å²	103	67%	0.67	52%	0.52	S	S	*	.	H	α-helix	trans	-61.2	-45.2	168.2	-173.6	72.6	0	0	0	111.3	A398 T405 L406	A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.4Å; A398-L402 PolarHBondContact O-N 3.03Å; L402-T405 WeakPolarHBondContact O-CB 3.3Å; L402-T405 PolarHBondContact O-N 2.88Å; L402-L406 PolarHBondContact O-N 2.87Å
403	K	71.4	Confident	70.7	Confident	136 Å²	136	101.6 Å²	101.6	59%	0.591	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-49.6	175.4	-178.8	175.7	179.8	175.5	0	111.7	I399 K400 T405 L406 D407	I399-K403 WeakPolarHBondContact O-CB 3.31Å; I399-K403 PolarHBondContact O-N 3.3Å; K400-K403 PolarHBondContact O-N 3.17Å; K403-T405 PolarHBondContact O-N 2.6Å; K403-L406 WeakPolarHBondContact O-CA 3.4Å; K403-L406 WeakPolarHBondContact O-CB 3.29Å; K403-L406 PolarHBondContact O-N 3.41Å; K403-D407 PolarHBondContact O-N 2.96Å
404	K	82	Confident	70.4	Confident	115 Å²	115	102.9 Å²	102.9	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-57.7	-36.5	174.3	173.7	178.9	151.4	-136.1	0	112.4	K400 D401 N408	K400-K404 WeakPolarHBondContact O-CB 3.44Å; K400-K404 PolarHBondContact O-N 3.46Å; D401-K404 PolarHBondContact O-N 3.3Å; D401-K404 WeakPolarHBondContact OD1-CD 3.17Å; D401-K404 IonicContact OD1-NZ 3.16Å; D401-K404 PolarHBondContact OD1-NZ 3.26Å; K404-N408 VanDerWaalsContact O-CB 3.31Å; K404-N408 WeakPolarHBondContact O-CB 3.39Å; K404-N408 PolarHBondContact O-N 2.99Å; K404-N408 PolarHBondContact O-ND2 2.91Å; K404-N408 VanDerWaalsContact O-ND2 3.16Å
405	T	72.7	Confident	70.4	Confident	56 Å²	56	101.2 Å²	101.2	34%	0.344	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-37.4	174.2	-66.4	0	0	0	0	112.3	D401 L402 K403 K409	D401-T405 VanDerWaalsContact O-CB 3.28Å; D401-T405 WeakPolarHBondContact O-CB 3.23Å; D401-T405 PolarHBondContact O-N 3.06Å; D401-T405 PolarHBondContact O-OG1 3.19Å; L402-T405 WeakPolarHBondContact O-CB 3.3Å; L402-T405 PolarHBondContact O-N 2.88Å; K403-T405 PolarHBondContact O-N 2.6Å; T405-K409 WeakPolarHBondContact O-CG 3.09Å; T405-K409 PolarHBondContact O-N 3.32Å
406	L	65	Low	70.9	Confident	111 Å²	111	100.9 Å²	100.9	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-48.3	173.2	-175.7	64.7	0	0	0	111.3	L402 K403 N408 K409 L410	L402-L406 PolarHBondContact O-N 2.87Å; K403-L406 WeakPolarHBondContact O-CA 3.4Å; K403-L406 WeakPolarHBondContact O-CB 3.29Å; K403-L406 PolarHBondContact O-N 3.41Å; L406-N408 PolarHBondContact O-N 3.27Å; L406-K409 PolarHBondContact O-N 2.93Å; L406-K409 VanDerWaalsContact O-N 3.15Å; L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.26Å
407	D	74.6	Confident	70.5	Confident	88 Å²	88	99.5 Å²	99.5	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-58.4	-46	177.6	-66.4	-31.6	0	0	0	111.3	K403 K409 L410 A411	K403-D407 PolarHBondContact O-N 2.96Å; D407-K409 PolarHBondContact O-N 2.8Å; D407-L410 PolarHBondContact O-N 3Å; D407-A411 PolarHBondContact O-N 3.46Å
408	N	75.6	Confident	70	Confident	100 Å²	100	99.2 Å²	99.2	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-38.3	175.6	-75.3	-25.6	0	0	0	112.8	K404 L406 S412	K404-N408 VanDerWaalsContact O-CB 3.31Å; K404-N408 WeakPolarHBondContact O-CB 3.39Å; K404-N408 PolarHBondContact O-N 2.99Å; K404-N408 PolarHBondContact O-ND2 2.91Å; K404-N408 VanDerWaalsContact O-ND2 3.16Å; L406-N408 PolarHBondContact O-N 3.27Å; N408-S412 VanDerWaalsContact O-CB 3.32Å; N408-S412 WeakPolarHBondContact O-CB 3.42Å; N408-S412 PolarHBondContact O-N 2.95Å
409	K	67.8	Low	69.7	Low	132 Å²	132	101.8 Å²	101.8	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-37.7	174.6	-77.6	-179.8	-173.4	-59.4	0	111.8	T405 L406 D407 S412 I413	T405-K409 WeakPolarHBondContact O-CG 3.09Å; T405-K409 PolarHBondContact O-N 3.32Å; L406-K409 PolarHBondContact O-N 2.93Å; L406-K409 VanDerWaalsContact O-N 3.15Å; D407-K409 PolarHBondContact O-N 2.8Å; K409-S412 PolarHBondContact O-N 3.03Å; K409-I413 WeakPolarHBondContact O-CD1 3.38Å; K409-I413 VanDerWaalsContact O-CG1 3.27Å; K409-I413 WeakPolarHBondContact O-CG1 3.33Å; K409-I413 PolarHBondContact O-N 2.79Å
410	L	70.5	Confident	69.1	Low	108 Å²	108	102.9 Å²	102.9	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-68.7	-41.7	179.8	-156.5	144.6	0	0	0	110.9	L406 D407 I413 Q414	L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.26Å; D407-L410 PolarHBondContact O-N 3Å; L410-I413 PolarHBondContact O-N 3.49Å; L410-Q414 WeakPolarHBondContact O-CB 3.25Å; L410-Q414 PolarHBondContact O-N 2.89Å
411	A	74.9	Confident	67.5	Low	45 Å²	45	104 Å²	104	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-60.3	-46.1	168.8	0	0	0	0	0	112.2	D407 I413 Q414 D415	D407-A411 PolarHBondContact O-N 3.46Å; A411-I413 VanDerWaalsContact C-N 3.33Å; A411-I413 PolarHBondContact O-N 2.83Å; A411-Q414 WeakPolarHBondContact O-CB 3.41Å; A411-Q414 PolarHBondContact O-N 2.87Å; A411-Q414 VanDerWaalsContact O-N 3.12Å; A411-D415 PolarHBondContact O-N 2.92Å
412	S	74.3	Confident	66.2	Low	63 Å²	63	103.7 Å²	103.7	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-38.2	177.5	179.9	0	0	0	0	113.1	N408 K409 D415 Q416	N408-S412 VanDerWaalsContact O-CB 3.32Å; N408-S412 WeakPolarHBondContact O-CB 3.42Å; N408-S412 PolarHBondContact O-N 2.95Å; K409-S412 PolarHBondContact O-N 3.03Å; S412-D415 PolarHBondContact O-N 2.93Å; S412-Q416 WeakPolarHBondContact O-CG 3.44Å; S412-Q416 PolarHBondContact O-N 2.73Å
413	I	69.3	Low	65.2	Low	98 Å²	98	100.1 Å²	100.1	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-41.2	173.9	-70.7	163.3	0	0	0	110.7	K409 L410 A411 Q416 L417	K409-I413 WeakPolarHBondContact O-CD1 3.38Å; K409-I413 VanDerWaalsContact O-CG1 3.27Å; K409-I413 WeakPolarHBondContact O-CG1 3.33Å; K409-I413 PolarHBondContact O-N 2.79Å; L410-I413 PolarHBondContact O-N 3.49Å; A411-I413 VanDerWaalsContact C-N 3.33Å; A411-I413 PolarHBondContact O-N 2.83Å; I413-Q416 PolarHBondContact O-N 2.93Å; I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 WeakPolarHBondContact O-CG 3.4Å; I413-L417 PolarHBondContact O-N 2.63Å
414	Q	66.9	Low	63.9	Low	113 Å²	113	98.8 Å²	98.8	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-40.9	176	-176.7	172	-16.6	0	0	112	L410 A411 L417 L418	L410-Q414 WeakPolarHBondContact O-CB 3.25Å; L410-Q414 PolarHBondContact O-N 2.89Å; A411-Q414 WeakPolarHBondContact O-CB 3.41Å; A411-Q414 PolarHBondContact O-N 2.87Å; A411-Q414 VanDerWaalsContact O-N 3.12Å; Q414-L417 PolarHBondContact O-N 3.31Å; Q414-L418 HydrophobicContact CG-CD1 4.4Å; Q414-L418 WeakPolarHBondContact O-CB 3.39Å; Q414-L418 PolarHBondContact O-N 2.83Å
415	D	68.6	Low	62.2	Low	93 Å²	93	99.3 Å²	99.3	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-70.3	-35.2	174.9	-76.8	-20.3	0	0	0	112.6	A411 S412 L418 N419	A411-D415 PolarHBondContact O-N 2.92Å; S412-D415 PolarHBondContact O-N 2.93Å; D415-L418 PolarHBondContact O-N 3.33Å; D415-N419 WeakPolarHBondContact O-CB 3.03Å; D415-N419 PolarHBondContact O-N 3.46Å; D415-N419 PolarHBondContact O-ND2 3.48Å
416	Q	65.8	Low	60.8	Low	121 Å²	121	102.5 Å²	102.5	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-64.6	-40.8	171.4	-76.8	-168.8	-77.4	0	0	111.6	S412 I413 Q420	S412-Q416 WeakPolarHBondContact O-CG 3.44Å; S412-Q416 PolarHBondContact O-N 2.73Å; I413-Q416 PolarHBondContact O-N 2.93Å; Q416-Q420 WeakPolarHBondContact O-CB 3.35Å; Q416-Q420 WeakPolarHBondContact O-CG 3.28Å; Q416-Q420 PolarHBondContact O-N 3.38Å
417	L	59.8	Low	60.1	Low	109 Å²	109	102.3 Å²	102.3	57%	0.571	58%	0.581	S	S	*	*	H	α-helix	trans	-64.9	-45	174.9	-75.6	165.4	0	0	0	111.7	I413 Q414 Q420 L421	I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 WeakPolarHBondContact O-CG 3.4Å; I413-L417 PolarHBondContact O-N 2.63Å; Q414-L417 PolarHBondContact O-N 3.31Å; L417-Q420 PolarHBondContact O-N 2.71Å; L417-L421 WeakPolarHBondContact O-CB 3.37Å; L417-L421 PolarHBondContact O-N 3.42Å
418	L	64.4	Low	58.2	Low	99 Å²	99	108 Å²	108	52%	0.518	60%	0.602	S	S	.	*	H	α-helix	trans	-60.1	-45.4	175.2	-92.1	160	0	0	0	112.3	Q414 D415 L421 A422	Q414-L418 HydrophobicContact CG-CD1 4.4Å; Q414-L418 WeakPolarHBondContact O-CB 3.39Å; Q414-L418 PolarHBondContact O-N 2.83Å; D415-L418 PolarHBondContact O-N 3.33Å; L418-L421 PolarHBondContact O-N 2.65Å; L418-A422 WeakPolarHBondContact O-CB 3.2Å; L418-A422 PolarHBondContact O-N 2.91Å
419	N	56.1	Low	56.7	Low	115 Å²	115	109.3 Å²	109.3	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-68.8	-35.5	178.6	-78.3	-61.1	0	0	0	112.8	D415 A422 G423	D415-N419 WeakPolarHBondContact O-CB 3.03Å; D415-N419 PolarHBondContact O-N 3.46Å; D415-N419 PolarHBondContact O-ND2 3.48Å; N419-A422 PolarHBondContact O-N 2.86Å; N419-G423 PolarHBondContact O-N 2.91Å
420	Q	52	Low	55.2	Low	138 Å²	138	113.1 Å²	113.1	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-67.8	-36.9	172.6	-74.8	-165.9	2.9	0	0	112.2	Q416 L417 G423 T424	Q416-Q420 WeakPolarHBondContact O-CB 3.35Å; Q416-Q420 WeakPolarHBondContact O-CG 3.28Å; Q416-Q420 PolarHBondContact O-N 3.38Å; L417-Q420 PolarHBondContact O-N 2.71Å; Q420-G423 PolarHBondContact O-N 2.9Å; Q420-T424 PolarHBondContact O-OG1 2.71Å
421	L	48.4	Very low	53.5	Low	140 Å²	140	118.4 Å²	118.4	73%	0.733	64%	0.643	S	S	*	*	H	α-helix	trans	-68.4	-36.3	175.2	-137.8	72.6	0	0	0	112.5	L417 L418 T424	L417-L421 WeakPolarHBondContact O-CB 3.37Å; L417-L421 PolarHBondContact O-N 3.42Å; L418-L421 PolarHBondContact O-N 2.65Å; L421-T424 PolarHBondContact O-OG1 2.89Å
422	A	48.2	Very low	52.1	Low	69 Å²	69	119.3 Å²	119.3	57%	0.57	65%	0.647	S	S	*	*	H	α-helix	trans	-72.4	-33.1	176.1	0	0	0	0	0	112.9	L418 N419 T424	L418-A422 WeakPolarHBondContact O-CB 3.2Å; L418-A422 PolarHBondContact O-N 2.91Å; N419-A422 PolarHBondContact O-N 2.86Å; A422-T424 VanDerWaalsContact C-N 3.33Å; A422-T424 PolarHBondContact O-N 2.65Å
423	G	41.8	Very low	50.9	Low	54 Å²	54	120.9 Å²	120.9	56%	0.557	66%	0.655	S	S	*	*	H	α-helix	trans	-69.6	-23.9	179.2	0	0	0	0	0	114.6	N419 Q420 T425	N419-G423 PolarHBondContact O-N 2.91Å; Q420-G423 PolarHBondContact O-N 2.9Å; G423-T425 PolarHBondContact O-N 2.86Å; G423-T425 VanDerWaalsContact O-N 3.16Å
424	T	43.9	Very low	49.8	Very low	107 Å²	107	121.6 Å²	121.6	66%	0.656	66%	0.66	S	S	*	*			trans	-91	62.5	-174.7	51.8	0	0	0	0	113.6	Q420 L421 A422	Q420-T424 PolarHBondContact O-OG1 2.71Å; L421-T424 PolarHBondContact O-OG1 2.89Å; A422-T424 VanDerWaalsContact C-N 3.33Å; A422-T424 PolarHBondContact O-N 2.65Å
425	T	45.1	Very low	48.7	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	65%	0.653	S	S	*	*			trans	-113	20.1	168.8	47.5	0	0	0	0	114.1	G423	G423-T425 PolarHBondContact O-N 2.86Å; G423-T425 VanDerWaalsContact O-N 3.16Å
426	T	42.9	Very low	47.7	Very low	122 Å²	122	119.5 Å²	119.5	75%	0.748	66%	0.658	S	S	*	*	S	Bend	trans	-129.8	136	166.4	36.9	0	0	0	0	111.7	F428	T426-F428 PolarHBondContact O-N 2.84Å
427	S	51.6	Low	46.9	Very low	107 Å²	107	118.3 Å²	118.3	75%	0.748	66%	0.655	S	S	*	*			trans	-68.2	111.8	-165.6	165.7	0	0	0	0	114.9
428	F	33.8	Very low	47.1	Very low	208 Å²	208	120.4 Å²	120.4	91%	0.912	66%	0.659	S	S	*	*			trans	-140.1	134.5	148.9	-75.2	-72.5	0	0	0	110.8	T426	T426-F428 PolarHBondContact O-N 2.84Å
429	T	45.4	Very low	46.8	Very low	127 Å²	127	120.5 Å²	120.5	78%	0.779	66%	0.661	S	S	*	*			trans	-109.5	123.1	-176.2	37.9	0	0	0	0	111.5
430	F	35.9	Very low	47	Very low	213 Å²	213	119.5 Å²	119.5	93%	0.934	65%	0.654	S	S	*	*			trans	-166.2	160.9	137.4	-126.7	-87.7	0	0	0	112.8
431	R	34.5	Very low	47.5	Very low	218 Å²	218	116.7 Å²	116.7	82%	0.823	64%	0.644	S	S	*	*	S	Bend	trans	72.4	132.1	-178.5	-164.7	171.1	-71.1	-131.3	-0.4	114.3
432	S	44.7	Very low	48.2	Very low	65 Å²	65	113.3 Å²	113.3	46%	0.455	63%	0.632	S	S	.	*			trans	-74.7	136.8	-172.5	176.8	0	0	0	0	112.3	N434 A435	S432-N434 PolarHBondContact O-N 3.28Å; S432-N434 VanDerWaalsContact O-N 3.12Å; S432-N434 PolarHBondContact OG-N 3Å; S432-A435 PolarHBondContact O-N 3.28Å
433	P	49.8	Very low	48.7	Very low	96 Å²	96	115.5 Å²	115.5	62%	0.623	63%	0.633	S	S	*	*	H	α-helix	trans	-54.1	-29.6	174.2	-26.7	35.2	0	0	0	113.8	A435 L436 L437	P433-A435 PolarHBondContact O-N 3.48Å; P433-L436 PolarHBondContact O-N 3.39Å; P433-L437 WeakPolarHBondContact O-CB 3.24Å; P433-L437 PolarHBondContact O-N 3.44Å
434	N	45.6	Very low	49.9	Very low	113 Å²	113	119 Å²	119	60%	0.604	63%	0.633	S	S	*	*	H	α-helix	trans	-65.5	-23.1	-173.4	-59.8	5.7	0	0	0	113	S432 K438	S432-N434 PolarHBondContact O-N 3.28Å; S432-N434 VanDerWaalsContact O-N 3.12Å; S432-N434 PolarHBondContact OG-N 3Å; N434-K438 VanDerWaalsContact O-CB 3.24Å; N434-K438 WeakPolarHBondContact O-CB 3.44Å; N434-K438 PolarHBondContact O-N 2.93Å; N434-K438 VanDerWaalsContact O-N 3.14Å
435	A	44.4	Very low	50.9	Low	45 Å²	45	118.8 Å²	118.8	37%	0.372	63%	0.628	S	S	.	*	H	α-helix	trans	-71.6	-55.3	173.4	0	0	0	0	0	110.8	S432 P433 L437 K438 D439	S432-A435 PolarHBondContact O-N 3.28Å; P433-A435 PolarHBondContact O-N 3.48Å; A435-L437 VanDerWaalsContact C-N 3.3Å; A435-L437 PolarHBondContact O-N 3.29Å; A435-K438 WeakPolarHBondContact O-CB 3.49Å; A435-K438 PolarHBondContact O-N 2.83Å; A435-K438 VanDerWaalsContact O-N 3.07Å; A435-D439 VanDerWaalsContact O-CG 3.31Å; A435-D439 PolarHBondContact O-N 2.99Å
436	L	47.5	Very low	51.7	Low	116 Å²	116	116 Å²	116	61%	0.607	61%	0.613	S	S	*	*	H	α-helix	trans	-59.2	-40.1	176.5	-86.7	165.1	0	0	0	112.2	P433 K438 D439 I440	P433-L436 PolarHBondContact O-N 3.39Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.23Å; L436-D439 PolarHBondContact O-N 2.97Å; L436-I440 VanDerWaalsContact O-CB 3.29Å; L436-I440 WeakPolarHBondContact O-CB 3.48Å; L436-I440 WeakPolarHBondContact O-CD1 3.46Å; L436-I440 WeakPolarHBondContact O-CG1 3.33Å; L436-I440 PolarHBondContact O-N 3.29Å
437	L	48.8	Very low	52.6	Low	96 Å²	96	113.8 Å²	113.8	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-65.2	-36.3	176.5	-168.3	67.4	0	0	0	112.1	P433 A435 N441	P433-L437 WeakPolarHBondContact O-CB 3.24Å; P433-L437 PolarHBondContact O-N 3.44Å; A435-L437 VanDerWaalsContact C-N 3.3Å; A435-L437 PolarHBondContact O-N 3.29Å; L437-N441 VanDerWaalsContact O-CB 3.3Å; L437-N441 WeakPolarHBondContact O-CB 3.38Å; L437-N441 PolarHBondContact O-N 3.33Å; L437-N441 PolarHBondContact O-ND2 2.97Å
438	K	64.3	Low	53.1	Low	153 Å²	153	111.6 Å²	111.6	67%	0.665	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-40.7	174.7	-177.2	171.7	-179.2	172.7	0	112	N434 A435 L436 N441 S442	N434-K438 VanDerWaalsContact O-CB 3.24Å; N434-K438 WeakPolarHBondContact O-CB 3.44Å; N434-K438 PolarHBondContact O-N 2.93Å; N434-K438 VanDerWaalsContact O-N 3.14Å; A435-K438 WeakPolarHBondContact O-CB 3.49Å; A435-K438 PolarHBondContact O-N 2.83Å; A435-K438 VanDerWaalsContact O-N 3.07Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.23Å; K438-N441 PolarHBondContact O-N 2.98Å; K438-S442 VanDerWaalsContact O-CB 3.23Å; K438-S442 WeakPolarHBondContact O-CB 3.47Å; K438-S442 PolarHBondContact O-N 3.39Å
439	D	57.3	Low	54.5	Low	102 Å²	102	105.7 Å²	105.7	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-67.9	-41.1	177.3	-62.6	-26	0	0	0	111	A435 L436 S442 L443	A435-D439 VanDerWaalsContact O-CG 3.31Å; A435-D439 PolarHBondContact O-N 2.99Å; L436-D439 PolarHBondContact O-N 2.97Å; D439-S442 PolarHBondContact O-N 3.47Å; D439-L443 VanDerWaalsContact O-CB 3.25Å; D439-L443 WeakPolarHBondContact O-CB 3.37Å; D439-L443 PolarHBondContact O-N 2.75Å
440	I	60.9	Low	55.1	Low	93 Å²	93	104.9 Å²	104.9	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-44.5	173.5	-72.1	165	0	0	0	111.3	L436 L443 K444	L436-I440 VanDerWaalsContact O-CB 3.29Å; L436-I440 WeakPolarHBondContact O-CB 3.48Å; L436-I440 WeakPolarHBondContact O-CD1 3.46Å; L436-I440 WeakPolarHBondContact O-CG1 3.33Å; L436-I440 PolarHBondContact O-N 3.29Å; I440-L443 PolarHBondContact O-N 3.49Å; I440-K444 VanDerWaalsContact O-CB 3.3Å; I440-K444 WeakPolarHBondContact O-CB 3.44Å; I440-K444 PolarHBondContact O-N 2.97Å
441	N	62.1	Low	56.2	Low	79 Å²	79	100 Å²	100	42%	0.422	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-44.2	177.7	-72.5	-12.6	0	0	0	111.4	L437 K438 L443 K444 D445	L437-N441 VanDerWaalsContact O-CB 3.3Å; L437-N441 WeakPolarHBondContact O-CB 3.38Å; L437-N441 PolarHBondContact O-N 3.33Å; L437-N441 PolarHBondContact O-ND2 2.97Å; K438-N441 PolarHBondContact O-N 2.98Å; N441-L443 VanDerWaalsContact C-N 3.31Å; N441-L443 PolarHBondContact O-N 3.24Å; N441-K444 CarbonylContact O-C 3.43Å; N441-K444 WeakPolarHBondContact O-CB 3.43Å; N441-K444 PolarHBondContact O-N 2.92Å; N441-K444 VanDerWaalsContact O-N 3.09Å; N441-D445 PolarHBondContact O-N 2.99Å
442	S	63.1	Low	57.5	Low	70 Å²	70	94.9 Å²	94.9	49%	0.49	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-38	175.9	-172.4	0	0	0	0	112.4	K438 D439 S446	K438-S442 VanDerWaalsContact O-CB 3.23Å; K438-S442 WeakPolarHBondContact O-CB 3.47Å; K438-S442 PolarHBondContact O-N 3.39Å; D439-S442 PolarHBondContact O-N 3.47Å; S442-S446 WeakPolarHBondContact O-CB 3.42Å; S442-S446 PolarHBondContact O-N 3.39Å; S442-S446 PolarHBondContact O-OG 2.98Å
443	L	59.7	Low	58.3	Low	114 Å²	114	97.5 Å²	97.5	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-67	-42	171.9	-178.2	61.5	0	0	0	111.3	D439 I440 N441 S446 V447	D439-L443 VanDerWaalsContact O-CB 3.25Å; D439-L443 WeakPolarHBondContact O-CB 3.37Å; D439-L443 PolarHBondContact O-N 2.75Å; I440-L443 PolarHBondContact O-N 3.49Å; N441-L443 VanDerWaalsContact C-N 3.31Å; N441-L443 PolarHBondContact O-N 3.24Å; L443-S446 WeakPolarHBondContact O-CB 3.34Å; L443-S446 PolarHBondContact O-N 3.41Å; L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.17Å
444	K	67.1	Low	58.8	Low	128 Å²	128	96.9 Å²	96.9	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-42.1	177	-173.6	165.7	-176.6	170.3	0	112	I440 N441 S446 V447 N448	I440-K444 VanDerWaalsContact O-CB 3.3Å; I440-K444 WeakPolarHBondContact O-CB 3.44Å; I440-K444 PolarHBondContact O-N 2.97Å; N441-K444 CarbonylContact O-C 3.43Å; N441-K444 WeakPolarHBondContact O-CB 3.43Å; N441-K444 PolarHBondContact O-N 2.92Å; N441-K444 VanDerWaalsContact O-N 3.09Å; K444-S446 VanDerWaalsContact C-N 3.31Å; K444-S446 PolarHBondContact O-N 3.47Å; K444-V447 PolarHBondContact O-N 2.99Å; K444-N448 WeakPolarHBondContact O-CB 3.39Å; K444-N448 PolarHBondContact O-N 3.43Å; K444-N448 PolarHBondContact O-ND2 2.75Å; K444-N448 PolarHBondContact O-OD1 2.96Å
445	D	65.1	Low	59.4	Low	103 Å²	103	95.5 Å²	95.5	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-65.7	-35.5	174.4	-67	-28.9	0	0	0	111.6	N441 N449	N441-D445 PolarHBondContact O-N 2.99Å; D445-N449 WeakPolarHBondContact O-CB 3.33Å; D445-N449 PolarHBondContact O-N 3.01Å
446	S	61.4	Low	59.9	Low	67 Å²	67	97.9 Å²	97.9	47%	0.469	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-41.1	172.4	-59.7	0	0	0	0	112.2	S442 L443 K444 L450	S442-S446 WeakPolarHBondContact O-CB 3.42Å; S442-S446 PolarHBondContact O-N 3.39Å; S442-S446 PolarHBondContact O-OG 2.98Å; L443-S446 WeakPolarHBondContact O-CB 3.34Å; L443-S446 PolarHBondContact O-N 3.41Å; K444-S446 VanDerWaalsContact C-N 3.31Å; K444-S446 PolarHBondContact O-N 3.47Å; S446-L450 WeakPolarHBondContact O-CB 3.48Å; S446-L450 PolarHBondContact O-N 2.85Å
447	V	61.2	Low	60.2	Low	76 Å²	76	98.4 Å²	98.4	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-46.8	174.8	169.8	0	0	0	0	111	L443 K444 N449 L450 E451	L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.17Å; K444-V447 PolarHBondContact O-N 2.99Å; V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 3.22Å; V447-L450 CarbonylContact O-C 3.54Å; V447-L450 PolarHBondContact O-N 3.4Å; V447-L450 VanDerWaalsContact O-N 3.12Å; V447-E451 WeakPolarHBondContact O-CB 3.47Å; V447-E451 PolarHBondContact O-N 3.03Å
448	N	62.9	Low	60.1	Low	61 Å²	61	98.9 Å²	98.9	33%	0.326	52%	0.519	S	S	.	.	H	α-helix	trans	-58.5	-41.2	176.2	-63.9	-22	0	0	0	111.5	K444 E451 L452	K444-N448 WeakPolarHBondContact O-CB 3.39Å; K444-N448 PolarHBondContact O-N 3.43Å; K444-N448 PolarHBondContact O-ND2 2.75Å; K444-N448 PolarHBondContact O-OD1 2.96Å; N448-E451 PolarHBondContact O-N 2.8Å; N448-L452 WeakPolarHBondContact O-CB 3.31Å; N448-L452 VanDerWaalsContact O-CG 3.29Å; N448-L452 WeakPolarHBondContact O-CG 3.18Å; N448-L452 PolarHBondContact O-N 3.45Å
449	N	61.8	Low	59.5	Low	84 Å²	84	100.9 Å²	100.9	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-68.1	-38.6	176.3	-174	-13.2	0	0	0	111.6	D445 V447 K453	D445-N449 WeakPolarHBondContact O-CB 3.33Å; D445-N449 PolarHBondContact O-N 3.01Å; V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 3.22Å; N449-K453 WeakPolarHBondContact O-CB 3.08Å; N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 2.87Å; N449-K453 WeakPolarHBondContact OD1-CE 3.34Å; N449-K453 PolarHBondContact OD1-NZ 2.99Å
450	L	59.6	Low	58.9	Low	111 Å²	111	99.3 Å²	99.3	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-67.4	-42	174	-170.3	64.9	0	0	0	111.6	S446 V447 K453 V454	S446-L450 WeakPolarHBondContact O-CB 3.48Å; S446-L450 PolarHBondContact O-N 2.85Å; V447-L450 CarbonylContact O-C 3.54Å; V447-L450 PolarHBondContact O-N 3.4Å; V447-L450 VanDerWaalsContact O-N 3.12Å; L450-K453 CarbonylContact O-C 3.53Å; L450-K453 WeakPolarHBondContact O-CB 3.32Å; L450-K453 PolarHBondContact O-N 3.12Å; L450-V454 WeakPolarHBondContact O-CG2 3.29Å; L450-V454 PolarHBondContact O-N 3.31Å
451	E	58.1	Low	58.2	Low	110 Å²	110	98 Å²	98	51%	0.514	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-42.6	175.7	-177.3	172.3	-168	0	0	111.5	V447 N448 K453 V454 N455	V447-E451 WeakPolarHBondContact O-CB 3.47Å; V447-E451 PolarHBondContact O-N 3.03Å; N448-E451 PolarHBondContact O-N 2.8Å; E451-K453 VanDerWaalsContact C-N 3.31Å; E451-K453 PolarHBondContact O-N 3.46Å; E451-V454 PolarHBondContact O-N 2.9Å; E451-N455 VanDerWaalsContact O-CB 3.27Å; E451-N455 WeakPolarHBondContact O-CB 3.46Å; E451-N455 PolarHBondContact O-N 3.46Å; E451-N455 PolarHBondContact O-ND2 2.77Å; E451-N455 VanDerWaalsContact O-ND2 3.16Å
452	L	61.3	Low	57.7	Low	110 Å²	110	97.8 Å²	97.8	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-63	-35	171.4	-75.2	169.8	0	0	0	112.6	N448 N456	N448-L452 WeakPolarHBondContact O-CB 3.31Å; N448-L452 VanDerWaalsContact O-CG 3.29Å; N448-L452 WeakPolarHBondContact O-CG 3.18Å; N448-L452 PolarHBondContact O-N 3.45Å; L452-N456 WeakPolarHBondContact O-CB 3.46Å; L452-N456 VanDerWaalsContact O-CG 3.25Å; L452-N456 PolarHBondContact O-N 2.93Å; L452-N456 PolarHBondContact O-ND2 3.5Å
453	K	63.3	Low	57.2	Low	120 Å²	120	96.7 Å²	96.7	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-70.7	-43.4	173.9	-77.4	171.1	179.4	171.8	0	112.2	N449 L450 E451 N456 L457	N449-K453 WeakPolarHBondContact O-CB 3.08Å; N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 2.87Å; N449-K453 WeakPolarHBondContact OD1-CE 3.34Å; N449-K453 PolarHBondContact OD1-NZ 2.99Å; L450-K453 CarbonylContact O-C 3.53Å; L450-K453 WeakPolarHBondContact O-CB 3.32Å; L450-K453 PolarHBondContact O-N 3.12Å; E451-K453 VanDerWaalsContact C-N 3.31Å; E451-K453 PolarHBondContact O-N 3.46Å; K453-N456 PolarHBondContact O-N 3.4Å; K453-L457 WeakPolarHBondContact O-CB 3.47Å; K453-L457 WeakPolarHBondContact O-CD1 3.39Å; K453-L457 PolarHBondContact O-N 3.44Å
454	V	59.2	Low	56.8	Low	84 Å²	84	96.8 Å²	96.8	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-46.4	174.9	168.7	0	0	0	0	110.3	L450 E451 N456 L457 D458	L450-V454 WeakPolarHBondContact O-CG2 3.29Å; L450-V454 PolarHBondContact O-N 3.31Å; E451-V454 PolarHBondContact O-N 2.9Å; V454-N456 VanDerWaalsContact C-N 3.32Å; V454-N456 PolarHBondContact O-N 2.78Å; V454-L457 PolarHBondContact O-N 3.44Å; V454-D458 WeakPolarHBondContact O-CB 3.34Å; V454-D458 PolarHBondContact O-N 2.92Å
455	N	57.8	Low	55.8	Low	83 Å²	83	93.9 Å²	93.9	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-30.6	177.6	-71.2	-30.6	0	0	0	113	E451 R459	E451-N455 VanDerWaalsContact O-CB 3.27Å; E451-N455 WeakPolarHBondContact O-CB 3.46Å; E451-N455 PolarHBondContact O-N 3.46Å; E451-N455 PolarHBondContact O-ND2 2.77Å; E451-N455 VanDerWaalsContact O-ND2 3.16Å; N455-R459 VanDerWaalsContact O-CB 3.27Å; N455-R459 WeakPolarHBondContact O-CB 3.46Å; N455-R459 PolarHBondContact O-N 2.99Å
456	N	55.5	Low	55.1	Low	95 Å²	95	96.4 Å²	96.4	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-74.6	-39	171.7	-77.2	-38.3	0	0	0	112.2	L452 K453 V454 R459 S460	L452-N456 WeakPolarHBondContact O-CB 3.46Å; L452-N456 VanDerWaalsContact O-CG 3.25Å; L452-N456 PolarHBondContact O-N 2.93Å; L452-N456 PolarHBondContact O-ND2 3.5Å; K453-N456 PolarHBondContact O-N 3.4Å; V454-N456 VanDerWaalsContact C-N 3.32Å; V454-N456 PolarHBondContact O-N 2.78Å; N456-R459 PolarHBondContact O-N 3.22Å; N456-S460 PolarHBondContact O-N 3.01Å
457	L	53.8	Low	54.8	Low	128 Å²	128	95.9 Å²	95.9	67%	0.67	52%	0.52	S	S	*	.	H	α-helix	trans	-62.5	-44.1	171.7	-100.9	122.6	0	0	0	111.5	K453 V454 R459 S460 C461	K453-L457 WeakPolarHBondContact O-CB 3.47Å; K453-L457 WeakPolarHBondContact O-CD1 3.39Å; K453-L457 PolarHBondContact O-N 3.44Å; V454-L457 PolarHBondContact O-N 3.44Å; L457-R459 VanDerWaalsContact C-N 3.31Å; L457-R459 PolarHBondContact O-N 3.03Å; L457-S460 PolarHBondContact O-N 3.2Å; L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 3.22Å
458	D	47	Very low	54.5	Low	105 Å²	105	97.3 Å²	97.3	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-39.5	175.1	-175.4	67.2	0	0	0	111.2	V454 S462	V454-D458 WeakPolarHBondContact O-CB 3.34Å; V454-D458 PolarHBondContact O-N 2.92Å; D458-S462 WeakPolarHBondContact O-CA 3.32Å; D458-S462 WeakPolarHBondContact O-CB 3.3Å; D458-S462 PolarHBondContact O-N 2.89Å
459	R	51.1	Low	54.1	Low	195 Å²	195	99.3 Å²	99.3	74%	0.736	54%	0.535	S	S	*	.	H	α-helix	trans	-68.6	-41.2	176.6	-161.6	177.8	-145.5	156.3	6.3	113.4	N455 N456 L457 G463	N455-R459 VanDerWaalsContact O-CB 3.27Å; N455-R459 WeakPolarHBondContact O-CB 3.46Å; N455-R459 PolarHBondContact O-N 2.99Å; N456-R459 PolarHBondContact O-N 3.22Å; L457-R459 VanDerWaalsContact C-N 3.31Å; L457-R459 PolarHBondContact O-N 3.03Å; R459-G463 PolarHBondContact O-N 2.83Å; R459-G463 VanDerWaalsContact O-N 3.14Å
460	S	44	Very low	53.9	Low	69 Å²	69	98.4 Å²	98.4	48%	0.483	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-50.4	172.2	-76.2	0	0	0	0	110.9	N456 L457 S462 G463 E464	N456-S460 PolarHBondContact O-N 3.01Å; L457-S460 PolarHBondContact O-N 3.2Å; S460-S462 VanDerWaalsContact C-N 3.34Å; S460-S462 PolarHBondContact O-N 3.24Å; S460-G463 PolarHBondContact O-N 2.59Å; S460-G463 VanDerWaalsContact O-N 3.13Å; S460-E464 WeakPolarHBondContact O-CB 3.44Å; S460-E464 PolarHBondContact O-N 3.16Å
461	C	46.8	Very low	53.8	Low	65 Å²	65	94.8 Å²	94.8	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.9	-171.2	0	0	0	0	111.6	L457 G463 C465	L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 3.22Å; C461-G463 PolarHBondContact O-N 2.89Å; C461-C465 WeakPolarHBondContact O-CA 3.32Å; C461-C465 WeakPolarHBondContact O-CB 3.38Å; C461-C465 PolarHBondContact O-N 2.82Å; C461-C465 PolarHBondContact O-SG 2.83Å; C461-C465 VanDerWaalsContact O-SG 3.36Å; C461-C465 VanDerWaalsContact SG-SG 3.62Å
462	S	51.1	Low	53.3	Low	76 Å²	76	94.5 Å²	94.5	53%	0.531	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-38.4	176.2	-171.4	0	0	0	0	112.5	D458 S460 K466	D458-S462 WeakPolarHBondContact O-CA 3.32Å; D458-S462 WeakPolarHBondContact O-CB 3.3Å; D458-S462 PolarHBondContact O-N 2.89Å; S460-S462 VanDerWaalsContact C-N 3.34Å; S460-S462 PolarHBondContact O-N 3.24Å; S462-K466 WeakPolarHBondContact O-CB 3.32Å; S462-K466 PolarHBondContact O-N 3.19Å
463	G	54.4	Low	53.2	Low	46 Å²	46	94.7 Å²	94.7	47%	0.474	52%	0.518	S	S	.	.	H	α-helix	trans	-68.2	-52.4	174.5	0	0	0	0	0	112.6	R459 S460 C461 K466 A467	R459-G463 PolarHBondContact O-N 2.83Å; R459-G463 VanDerWaalsContact O-N 3.14Å; S460-G463 PolarHBondContact O-N 2.59Å; S460-G463 VanDerWaalsContact O-N 3.13Å; C461-G463 PolarHBondContact O-N 2.89Å; G463-K466 PolarHBondContact O-N 3.42Å; G463-A467 PolarHBondContact O-N 2.9Å; G463-A467 VanDerWaalsContact O-N 3.12Å
464	E	49.9	Very low	53.3	Low	117 Å²	117	93.3 Å²	93.3	55%	0.547	52%	0.516	S	S	.	.	H	α-helix	trans	-73.2	-41.3	-174.5	-68.4	173.6	158.1	0	0	111.8	S460 K466 A467 N468	S460-E464 WeakPolarHBondContact O-CB 3.44Å; S460-E464 PolarHBondContact O-N 3.16Å; E464-K466 VanDerWaalsContact C-N 3.27Å; E464-K466 PolarHBondContact O-N 3.28Å; E464-A467 PolarHBondContact O-N 2.85Å; E464-N468 WeakPolarHBondContact O-CB 3.46Å; E464-N468 PolarHBondContact O-N 2.87Å; E464-N468 PolarHBondContact O-ND2 2.98Å
465	C	47.4	Very low	53.3	Low	67 Å²	67	93.7 Å²	93.7	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-30.1	172.1	-70.9	0	0	0	0	112.5	C461 N468 L469	C461-C465 WeakPolarHBondContact O-CA 3.32Å; C461-C465 WeakPolarHBondContact O-CB 3.38Å; C461-C465 PolarHBondContact O-N 2.82Å; C461-C465 PolarHBondContact O-SG 2.83Å; C461-C465 VanDerWaalsContact O-SG 3.36Å; C461-C465 VanDerWaalsContact SG-SG 3.62Å; C465-N468 PolarHBondContact O-N 2.77Å; C465-L469 WeakPolarHBondContact O-CB 3.42Å; C465-L469 PolarHBondContact O-N 3.43Å
466	K	48.7	Very low	53.3	Low	156 Å²	156	95.9 Å²	95.9	68%	0.678	52%	0.523	S	S	*	.	H	α-helix	trans	-74.4	-33.8	176	-167.3	170.6	-172.3	174.1	0	112.6	S462 G463 E464 T470	S462-K466 WeakPolarHBondContact O-CB 3.32Å; S462-K466 PolarHBondContact O-N 3.19Å; G463-K466 PolarHBondContact O-N 3.42Å; E464-K466 VanDerWaalsContact C-N 3.27Å; E464-K466 PolarHBondContact O-N 3.28Å; K466-T470 PolarHBondContact O-N 2.85Å; K466-T470 PolarHBondContact O-OG1 3.35Å
467	A	55.8	Low	54	Low	55 Å²	55	98.4 Å²	98.4	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-68.4	-42.4	168.3	0	0	0	0	0	111.7	G463 E464 T470 A471	G463-A467 PolarHBondContact O-N 2.9Å; G463-A467 VanDerWaalsContact O-N 3.12Å; E464-A467 PolarHBondContact O-N 2.85Å; A467-T470 PolarHBondContact O-N 2.73Å; A467-T470 PolarHBondContact O-OG1 3.47Å; A467-T470 VanDerWaalsContact O-OG1 3.08Å; A467-A471 WeakPolarHBondContact O-CB 3.3Å; A467-A471 PolarHBondContact O-N 3.07Å
468	N	54.2	Low	54.5	Low	106 Å²	106	96.2 Å²	96.2	57%	0.567	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-36.2	178.2	-68.2	-22.5	0	0	0	112.3	E464 C465 A471 L472	E464-N468 WeakPolarHBondContact O-CB 3.46Å; E464-N468 PolarHBondContact O-N 2.87Å; E464-N468 PolarHBondContact O-ND2 2.98Å; C465-N468 PolarHBondContact O-N 2.77Å; N468-A471 PolarHBondContact O-N 2.84Å; N468-L472 WeakPolarHBondContact O-CB 3.39Å; N468-L472 PolarHBondContact O-N 3.16Å
469	L	54.7	Low	54.9	Low	103 Å²	103	98.3 Å²	98.3	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-43.9	175.8	-168.2	71.9	0	0	0	111	C465 L472 E473	C465-L469 WeakPolarHBondContact O-CB 3.42Å; C465-L469 PolarHBondContact O-N 3.43Å; L469-L472 WeakPolarHBondContact O-CB 3.5Å; L469-L472 PolarHBondContact O-N 2.94Å; L469-E473 WeakPolarHBondContact O-CG 3.49Å; L469-E473 PolarHBondContact O-N 3.49Å
470	T	58.5	Low	55.5	Low	66 Å²	66	94.3 Å²	94.3	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-69.5	-30.9	174.5	42.3	0	0	0	0	112.7	K466 A467 N474	K466-T470 PolarHBondContact O-N 2.85Å; K466-T470 PolarHBondContact O-OG1 3.35Å; A467-T470 PolarHBondContact O-N 2.73Å; A467-T470 PolarHBondContact O-OG1 3.47Å; A467-T470 VanDerWaalsContact O-OG1 3.08Å; T470-N474 WeakPolarHBondContact O-CB 3.49Å; T470-N474 VanDerWaalsContact O-CG 3.27Å; T470-N474 PolarHBondContact O-N 3.32Å; T470-N474 PolarHBondContact O-ND2 2.81Å; T470-N474 VanDerWaalsContact O-ND2 3.17Å
471	A	56.4	Low	56.8	Low	35 Å²	35	94.7 Å²	94.7	29%	0.289	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-36.3	169.4	0	0	0	0	0	112.5	A467 N468 L475	A467-A471 WeakPolarHBondContact O-CB 3.3Å; A467-A471 PolarHBondContact O-N 3.07Å; N468-A471 PolarHBondContact O-N 2.84Å; A471-L475 WeakPolarHBondContact O-CB 3.43Å; A471-L475 PolarHBondContact O-N 2.89Å
472	L	48.8	Very low	57.2	Low	103 Å²	103	96.7 Å²	96.7	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-71.5	-42	175.9	-165.2	75.5	0	0	0	111.7	N468 L469 N474 L475 Q476	N468-L472 WeakPolarHBondContact O-CB 3.39Å; N468-L472 PolarHBondContact O-N 3.16Å; L469-L472 WeakPolarHBondContact O-CB 3.5Å; L469-L472 PolarHBondContact O-N 2.94Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 3.49Å; L472-L475 PolarHBondContact O-N 3.46Å; L472-Q476 VanDerWaalsContact O-CB 3.32Å; L472-Q476 WeakPolarHBondContact O-CB 3.43Å; L472-Q476 PolarHBondContact O-N 2.9Å
473	E	59.5	Low	58.2	Low	115 Å²	115	98.5 Å²	98.5	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-59.5	-42.6	172.9	-75.3	177.8	151.8	0	0	111.6	L469 K477	L469-E473 WeakPolarHBondContact O-CG 3.49Å; L469-E473 PolarHBondContact O-N 3.49Å; E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 PolarHBondContact O-N 2.92Å; E473-K477 VanDerWaalsContact O-N 3.08Å
474	N	63.8	Low	59.1	Low	90 Å²	90	99.5 Å²	99.5	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-50.6	174	-72.7	-29.1	0	0	0	111.2	T470 L472 Q476 K477 D478	T470-N474 WeakPolarHBondContact O-CB 3.49Å; T470-N474 VanDerWaalsContact O-CG 3.27Å; T470-N474 PolarHBondContact O-N 3.32Å; T470-N474 PolarHBondContact O-ND2 2.81Å; T470-N474 VanDerWaalsContact O-ND2 3.17Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 3.49Å; N474-Q476 VanDerWaalsContact C-N 3.26Å; N474-Q476 PolarHBondContact O-N 2.91Å; N474-K477 CarbonylContact O-C 3.56Å; N474-K477 WeakPolarHBondContact O-CA 3.41Å; N474-K477 WeakPolarHBondContact O-CB 3.4Å; N474-K477 PolarHBondContact O-N 2.9Å; N474-D478 PolarHBondContact O-N 3.34Å
475	L	60	Low	60.3	Low	93 Å²	93	97.2 Å²	97.2	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-58.5	-37.6	179	-173.4	72.4	0	0	0	112.5	A471 L472 K477 D478 F479	A471-L475 WeakPolarHBondContact O-CB 3.43Å; A471-L475 PolarHBondContact O-N 2.89Å; L472-L475 PolarHBondContact O-N 3.46Å; L475-K477 VanDerWaalsContact C-N 3.33Å; L475-D478 PolarHBondContact O-N 2.93Å; L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 3.01Å
476	Q	58.6	Low	61	Low	129 Å²	129	98.4 Å²	98.4	60%	0.603	51%	0.511	S	S	*	.	H	α-helix	trans	-66.5	-34.3	173.8	-179.8	172.5	-23.8	0	0	112.2	L472 N474 Q480	L472-Q476 VanDerWaalsContact O-CB 3.32Å; L472-Q476 WeakPolarHBondContact O-CB 3.43Å; L472-Q476 PolarHBondContact O-N 2.9Å; N474-Q476 VanDerWaalsContact C-N 3.26Å; N474-Q476 PolarHBondContact O-N 2.91Å; Q476-Q480 VanDerWaalsContact O-CG 3.31Å; Q476-Q480 WeakPolarHBondContact O-CG 3.5Å; Q476-Q480 PolarHBondContact O-N 3Å
477	K	68.9	Low	62	Low	148 Å²	148	94.4 Å²	94.4	64%	0.643	50%	0.497	S	S	*	.	H	α-helix	trans	-71.7	-41.7	176.1	-158.7	179	-170.7	178.6	0	111.5	E473 N474 L475 Q480 S481	E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 PolarHBondContact O-N 2.92Å; E473-K477 VanDerWaalsContact O-N 3.08Å; N474-K477 CarbonylContact O-C 3.56Å; N474-K477 WeakPolarHBondContact O-CA 3.41Å; N474-K477 WeakPolarHBondContact O-CB 3.4Å; N474-K477 PolarHBondContact O-N 2.9Å; L475-K477 VanDerWaalsContact C-N 3.33Å; K477-Q480 PolarHBondContact O-N 3.34Å; K477-S481 PolarHBondContact O-N 3Å
478	D	64	Low	63	Low	81 Å²	81	96.4 Å²	96.4	43%	0.433	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-44.9	175.2	-57.6	-31	0	0	0	110	N474 L475 Q480 S481 Y482	N474-D478 PolarHBondContact O-N 3.34Å; L475-D478 PolarHBondContact O-N 2.93Å; D478-Q480 VanDerWaalsContact C-N 3.32Å; D478-Q480 PolarHBondContact O-N 3.5Å; D478-S481 WeakPolarHBondContact O-CA 3.32Å; D478-S481 WeakPolarHBondContact O-CB 3.43Å; D478-S481 PolarHBondContact O-N 3.38Å; D478-Y482 VanDerWaalsContact O-CD2 3.25Å; D478-Y482 WeakPolarHBondContact O-CD2 3.38Å; D478-Y482 PolarHBondContact O-N 3.37Å
479	F	55.8	Low	63.8	Low	149 Å²	149	96.2 Å²	96.2	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-60.1	-37.1	175.4	-168.8	-96	0	0	0	113.2	L475 K483	L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 3.01Å; F479-K483 WeakPolarHBondContact O-CB 3.37Å; F479-K483 PolarHBondContact O-N 2.92Å
480	Q	63.8	Low	64.6	Low	112 Å²	112	95.1 Å²	95.1	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-69.9	-34.2	172.5	-66.6	-70.4	-8.2	0	0	112.2	Q476 K477 D478 K483 S484	Q476-Q480 VanDerWaalsContact O-CG 3.31Å; Q476-Q480 WeakPolarHBondContact O-CG 3.5Å; Q476-Q480 PolarHBondContact O-N 3Å; K477-Q480 PolarHBondContact O-N 3.34Å; D478-Q480 VanDerWaalsContact C-N 3.32Å; D478-Q480 PolarHBondContact O-N 3.5Å; Q480-K483 PolarHBondContact O-N 2.93Å; Q480-S484 PolarHBondContact O-N 3.4Å
481	S	71.9	Confident	65.5	Low	76 Å²	76	96 Å²	96	53%	0.531	49%	0.494	S	S	.	.	H	α-helix	trans	-66.8	-45.7	175	-163.4	0	0	0	0	112	K477 D478 K483 S484 T485	K477-S481 PolarHBondContact O-N 3Å; D478-S481 WeakPolarHBondContact O-CA 3.32Å; D478-S481 WeakPolarHBondContact O-CB 3.43Å; D478-S481 PolarHBondContact O-N 3.38Å; S481-K483 VanDerWaalsContact C-N 3.33Å; S481-K483 PolarHBondContact O-N 3.21Å; S481-S484 PolarHBondContact O-N 3.06Å; S481-T485 PolarHBondContact O-N 3.29Å; S481-T485 PolarHBondContact O-OG1 3.35Å
482	Y	55.6	Low	66.1	Low	107 Å²	107	99.4 Å²	99.4	42%	0.42	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-40	172.5	-80.3	-66.5	0	0	0	111.9	D478 S484 T485 V486 M579	D478-Y482 VanDerWaalsContact O-CD2 3.25Å; D478-Y482 WeakPolarHBondContact O-CD2 3.38Å; D478-Y482 PolarHBondContact O-N 3.37Å; Y482-S484 PolarHBondContact O-N 2.9Å; Y482-T485 WeakPolarHBondContact CA-OG1 3.39Å; Y482-T485 PolarHBondContact O-N 3.47Å; Y482-T485 PolarHBondContact O-OG1 3.14Å; Y482-T485 VanDerWaalsContact O-OG1 3.11Å; Y482-V486 WeakPolarHBondContact O-CG2 3.33Å; Y482-V486 PolarHBondContact O-N 3.41Å; Y482-M579 HydrophobicContact CD1-CE 4.13Å; Y482-M579 HydrophobicContact CE1-CE 3.64Å; Y482-M579 HydrophobicContact CE1-SD 3.85Å; Y482-M579 HydrophobicContact CE2-CE 4.39Å
483	K	71.9	Confident	66.8	Low	115 Å²	115	99.1 Å²	99.1	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-45.8	173.4	-176.5	177.8	176.4	-177.1	0	111.7	F479 Q480 S481 T485 V486 D487	F479-K483 WeakPolarHBondContact O-CB 3.37Å; F479-K483 PolarHBondContact O-N 2.92Å; Q480-K483 PolarHBondContact O-N 2.93Å; S481-K483 VanDerWaalsContact C-N 3.33Å; S481-K483 PolarHBondContact O-N 3.21Å; K483-T485 VanDerWaalsContact C-N 3.35Å; K483-T485 PolarHBondContact O-N 3.03Å; K483-V486 PolarHBondContact O-N 3.01Å; K483-D487 PolarHBondContact O-N 2.93Å
484	S	73.6	Confident	67.3	Low	67 Å²	67	97.2 Å²	97.2	47%	0.469	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-42	179	-162.9	0	0	0	0	112.3	Q480 S481 Y482 D487 D488	Q480-S484 PolarHBondContact O-N 3.4Å; S481-S484 PolarHBondContact O-N 3.06Å; Y482-S484 PolarHBondContact O-N 2.9Å; S484-D487 PolarHBondContact O-N 3.39Å; S484-D488 WeakPolarHBondContact O-CB 3.18Å; S484-D488 PolarHBondContact O-N 3.26Å
485	T	75.3	Confident	67.9	Low	68 Å²	68	95.8 Å²	95.8	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-70.1	-34.7	177.4	33.1	0	0	0	0	112.8	S481 Y482 K483 D488 I489	S481-T485 PolarHBondContact O-N 3.29Å; S481-T485 PolarHBondContact O-OG1 3.35Å; Y482-T485 WeakPolarHBondContact CA-OG1 3.39Å; Y482-T485 PolarHBondContact O-N 3.47Å; Y482-T485 PolarHBondContact O-OG1 3.14Å; Y482-T485 VanDerWaalsContact O-OG1 3.11Å; K483-T485 VanDerWaalsContact C-N 3.35Å; K483-T485 PolarHBondContact O-N 3.03Å; T485-D488 PolarHBondContact O-N 2.91Å; T485-I489 WeakPolarHBondContact O-CB 3.35Å; T485-I489 WeakPolarHBondContact O-CD1 3.39Å; T485-I489 WeakPolarHBondContact O-CG1 3.29Å; T485-I489 PolarHBondContact O-N 2.89Å
486	V	61	Low	68.3	Low	92 Å²	92	95.6 Å²	95.6	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-66.8	-41.5	172.2	169.8	0	0	0	0	111.7	Y482 K483 K490	Y482-V486 WeakPolarHBondContact O-CG2 3.33Å; Y482-V486 PolarHBondContact O-N 3.41Å; K483-V486 PolarHBondContact O-N 3.01Å; V486-K490 VanDerWaalsContact O-CB 3.27Å; V486-K490 WeakPolarHBondContact O-CB 3.27Å; V486-K490 PolarHBondContact O-N 3.44Å
487	D	70.2	Confident	68.7	Low	72 Å²	72	94.3 Å²	94.3	39%	0.385	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-40.3	174.5	-81.7	-37.9	0	0	0	111.2	K483 S484 K490 T491	K483-D487 PolarHBondContact O-N 2.93Å; S484-D487 PolarHBondContact O-N 3.39Å; D487-K490 WeakPolarHBondContact O-CB 3.38Å; D487-K490 PolarHBondContact O-N 3.4Å; D487-T491 WeakPolarHBondContact O-CG2 3.3Å; D487-T491 PolarHBondContact O-N 3.04Å
488	D	77.2	Confident	69	Low	97 Å²	97	94.4 Å²	94.4	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-49.8	173.5	-79.3	-22.9	0	0	0	111.9	S484 T485 K490 T491 H492	S484-D488 WeakPolarHBondContact O-CB 3.18Å; S484-D488 PolarHBondContact O-N 3.26Å; T485-D488 PolarHBondContact O-N 2.91Å; D488-K490 PolarHBondContact O-N 2.91Å; D488-T491 PolarHBondContact O-N 2.68Å; D488-T491 PolarHBondContact O-OG1 3.17Å; D488-H492 PolarHBondContact O-N 3.06Å
489	I	70.1	Confident	69.4	Low	103 Å²	103	94.6 Å²	94.6	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-56.7	-40.8	175.3	-71	164	0	0	0	110.9	T485 H492 L493	T485-I489 WeakPolarHBondContact O-CB 3.35Å; T485-I489 WeakPolarHBondContact O-CD1 3.39Å; T485-I489 WeakPolarHBondContact O-CG1 3.29Å; T485-I489 PolarHBondContact O-N 2.89Å; I489-H492 PolarHBondContact O-N 3.47Å; I489-L493 HydrophobicContact CG2-CD1 4.17Å; I489-L493 PolarHBondContact O-N 3.37Å
490	K	71.1	Confident	70	Confident	79 Å²	79	94.5 Å²	94.5	34%	0.343	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-39.4	176.1	-178	178.3	-177.9	176.1	0	112.3	E370 V486 D487 D488 N494	E370-K490 WeakPolarHBondContact OE1-CE 3.39Å; E370-K490 IonicContact OE1-NZ 2.66Å; E370-K490 PolarHBondContact OE1-NZ 2.87Å; V486-K490 VanDerWaalsContact O-CB 3.27Å; V486-K490 WeakPolarHBondContact O-CB 3.27Å; V486-K490 PolarHBondContact O-N 3.44Å; D487-K490 WeakPolarHBondContact O-CB 3.38Å; D487-K490 PolarHBondContact O-N 3.4Å; D488-K490 PolarHBondContact O-N 2.91Å; K490-N494 WeakPolarHBondContact O-CB 3.29Å; K490-N494 PolarHBondContact O-N 2.77Å; K490-N494 VanDerWaalsContact O-N 3.1Å; K490-N494 PolarHBondContact O-ND2 2.96Å; K490-N494 VanDerWaalsContact O-ND2 3.16Å
491	T	77.1	Confident	70.3	Confident	84 Å²	84	92.3 Å²	92.3	52%	0.515	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-39.1	172.7	68.1	0	0	0	0	111.8	D487 D488 N494 V495	D487-T491 WeakPolarHBondContact O-CG2 3.3Å; D487-T491 PolarHBondContact O-N 3.04Å; D488-T491 PolarHBondContact O-N 2.68Å; D488-T491 PolarHBondContact O-OG1 3.17Å; T491-N494 CarbonylContact O-C 3.57Å; T491-N494 PolarHBondContact O-N 2.79Å; T491-V495 WeakPolarHBondContact O-CG2 3.38Å; T491-V495 PolarHBondContact O-N 3.35Å
492	H	68.9	Low	70.4	Confident	108 Å²	108	95 Å²	95	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-45.6	179.7	-160.9	-87.9	0	0	0	112.2	D488 I489 N494 V495 Q496	D488-H492 PolarHBondContact O-N 3.06Å; I489-H492 PolarHBondContact O-N 3.47Å; H492-N494 VanDerWaalsContact C-N 3.3Å; H492-N494 PolarHBondContact O-N 3.12Å; H492-V495 WeakPolarHBondContact O-CB 3.24Å; H492-V495 PolarHBondContact O-N 2.94Å; H492-Q496 PolarHBondContact O-N 3.35Å
493	L	65.3	Low	71.1	Confident	96 Å²	96	94.6 Å²	94.6	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-40.6	171.6	-78.4	167.7	0	0	0	111.8	I489 V495 Q496 M497	I489-L493 HydrophobicContact CG2-CD1 4.17Å; I489-L493 PolarHBondContact O-N 3.37Å; L493-V495 PolarHBondContact O-N 2.88Å; L493-Q496 PolarHBondContact O-N 3.48Å; L493-M497 VanDerWaalsContact O-CB 3.29Å; L493-M497 WeakPolarHBondContact O-CB 3.35Å; L493-M497 PolarHBondContact O-N 2.88Å
494	N	68.6	Low	70.9	Confident	76 Å²	76	93 Å²	93	41%	0.406	47%	0.468	S	S	.	.	H	α-helix	trans	-71.9	-11.3	175.2	-76.4	-30.7	0	0	0	114.2	K490 T491 H492 R498	K490-N494 WeakPolarHBondContact O-CB 3.29Å; K490-N494 PolarHBondContact O-N 2.77Å; K490-N494 VanDerWaalsContact O-N 3.1Å; K490-N494 PolarHBondContact O-ND2 2.96Å; K490-N494 VanDerWaalsContact O-ND2 3.16Å; T491-N494 CarbonylContact O-C 3.57Å; T491-N494 PolarHBondContact O-N 2.79Å; H492-N494 VanDerWaalsContact C-N 3.3Å; H492-N494 PolarHBondContact O-N 3.12Å; N494-R498 PolarHBondContact O-NE 3.49Å; N494-R498 PolarHBondContact O-NH2 3.05Å; N494-R498 VanDerWaalsContact O-NH2 3.11Å
495	V	76.8	Confident	70.9	Confident	59 Å²	59	93.3 Å²	93.3	36%	0.358	46%	0.464	S	S	.	.	H	α-helix	trans	-82.7	-56.3	165.2	172.4	0	0	0	0	109	T491 H492 L493 M497 R498 D499	T491-V495 WeakPolarHBondContact O-CG2 3.38Å; T491-V495 PolarHBondContact O-N 3.35Å; H492-V495 WeakPolarHBondContact O-CB 3.24Å; H492-V495 PolarHBondContact O-N 2.94Å; L493-V495 PolarHBondContact O-N 2.88Å; V495-M497 PolarHBondContact O-N 2.75Å; V495-M497 VanDerWaalsContact O-N 3.15Å; V495-R498 PolarHBondContact O-N 3.21Å; V495-D499 WeakPolarHBondContact CG1-OD2 3.45Å; V495-D499 PolarHBondContact O-N 3.16Å
496	Q	69	Low	70.8	Confident	90 Å²	90	94.4 Å²	94.4	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-56.2	-35.9	-178.4	-69.5	179.8	-44.1	0	0	113.2	H492 L493 D499 F500	H492-Q496 PolarHBondContact O-N 3.35Å; L493-Q496 PolarHBondContact O-N 3.48Å; Q496-D499 PolarHBondContact O-N 3.01Å; Q496-F500 WeakPolarHBondContact O-CB 3.4Å; Q496-F500 PolarHBondContact O-N 3.38Å
497	M	66.1	Low	71.1	Confident	102 Å²	102	96.1 Å²	96.1	50%	0.502	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.3	-162.5	-175	-46.7	0	0	112.3	L493 V495 F500 E501	L493-M497 VanDerWaalsContact O-CB 3.29Å; L493-M497 WeakPolarHBondContact O-CB 3.35Å; L493-M497 PolarHBondContact O-N 2.88Å; V495-M497 PolarHBondContact O-N 2.75Å; V495-M497 VanDerWaalsContact O-N 3.15Å; M497-F500 PolarHBondContact O-N 2.93Å; M497-E501 PolarHBondContact O-N 2.88Å
498	R	75.9	Confident	71.2	Confident	150 Å²	150	96.2 Å²	96.2	57%	0.566	47%	0.472	S	S	*	.	H	α-helix	trans	-70.4	-38.2	176.2	-77.2	179.6	-72.7	136.9	-0.9	112.1	N494 V495 F500 E501 F502	N494-R498 PolarHBondContact O-NE 3.49Å; N494-R498 PolarHBondContact O-NH2 3.05Å; N494-R498 VanDerWaalsContact O-NH2 3.11Å; V495-R498 PolarHBondContact O-N 3.21Å; R498-F500 VanDerWaalsContact C-N 3.28Å; R498-F500 PolarHBondContact O-N 3.26Å; R498-E501 PolarHBondContact O-N 3.1Å; R498-F502 WeakPolarHBondContact O-CB 3.43Å; R498-F502 PolarHBondContact O-N 2.77Å
499	D	73.3	Confident	70.8	Confident	85 Å²	85	95.2 Å²	95.2	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-36.3	174.5	-64.4	-32.1	0	0	0	111	V495 Q496 F502 M503	V495-D499 WeakPolarHBondContact CG1-OD2 3.45Å; V495-D499 PolarHBondContact O-N 3.16Å; Q496-D499 PolarHBondContact O-N 3.01Å; D499-F502 PolarHBondContact O-N 2.86Å; D499-M503 WeakPolarHBondContact O-CG 3.29Å; D499-M503 PolarHBondContact O-N 3.3Å
500	F	66.6	Low	70.8	Confident	147 Å²	147	95 Å²	95	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-68.5	-41	173.9	-161	-90.2	0	0	0	112.7	Q496 M497 R498 M503 K504	Q496-F500 WeakPolarHBondContact O-CB 3.4Å; Q496-F500 PolarHBondContact O-N 3.38Å; M497-F500 PolarHBondContact O-N 2.93Å; R498-F500 VanDerWaalsContact C-N 3.28Å; R498-F500 PolarHBondContact O-N 3.26Å; F500-M503 HydrophobicContact CD2-CE 4.1Å; F500-M503 PolarHBondContact O-N 3.42Å; F500-K504 VanDerWaalsContact O-CB 3.31Å; F500-K504 WeakPolarHBondContact O-CB 3.07Å; F500-K504 PolarHBondContact O-N 3.34Å
501	E	71.4	Confident	70.7	Confident	66 Å²	66	94.9 Å²	94.9	31%	0.308	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-44.2	171.2	-73.2	-167.5	120.3	0	0	111.8	M497 R498 M503 K504 D505	M497-E501 PolarHBondContact O-N 2.88Å; R498-E501 PolarHBondContact O-N 3.1Å; E501-M503 PolarHBondContact O-N 2.71Å; E501-K504 WeakPolarHBondContact O-CB 3.19Å; E501-K504 WeakPolarHBondContact O-CE 3.29Å; E501-K504 PolarHBondContact O-N 2.79Å; E501-D505 PolarHBondContact O-N 2.77Å
502	F	74	Confident	70.2	Confident	131 Å²	131	94.4 Å²	94.4	58%	0.575	47%	0.469	S	S	*	.	H	α-helix	trans	-65.2	-35.7	177.5	178.9	-117.3	0	0	0	113.3	R498 D499 Q506	R498-F502 WeakPolarHBondContact O-CB 3.43Å; R498-F502 PolarHBondContact O-N 2.77Å; D499-F502 PolarHBondContact O-N 2.86Å; F502-Q506 HydrophobicContact CE2-CG 4.42Å; F502-Q506 HydrophobicContact CZ-CG 4.44Å; F502-Q506 WeakPolarHBondContact O-CG 3.35Å; F502-Q506 PolarHBondContact O-N 2.96Å; F502-Q506 VanDerWaalsContact O-N 3.08Å; F502-Q506 PolarHBondContact O-NE2 3.02Å
503	M	69.3	Low	69.8	Low	100 Å²	100	93.2 Å²	93.2	49%	0.493	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-41.9	170.5	-75.2	-172.1	-68.2	0	0	111.9	D499 F500 E501 Q506 L507	D499-M503 WeakPolarHBondContact O-CG 3.29Å; D499-M503 PolarHBondContact O-N 3.3Å; F500-M503 HydrophobicContact CD2-CE 4.1Å; F500-M503 PolarHBondContact O-N 3.42Å; E501-M503 PolarHBondContact O-N 2.71Å; M503-Q506 PolarHBondContact O-N 2.64Å; M503-L507 WeakPolarHBondContact O-CB 3.43Å; M503-L507 PolarHBondContact O-N 3Å
504	K	68.9	Low	69.6	Low	82 Å²	82	93.7 Å²	93.7	36%	0.357	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-43	176	170.7	-126.5	66.1	-173.2	0	111.5	F500 E501 L507 V508	F500-K504 VanDerWaalsContact O-CB 3.31Å; F500-K504 WeakPolarHBondContact O-CB 3.07Å; F500-K504 PolarHBondContact O-N 3.34Å; E501-K504 WeakPolarHBondContact O-CB 3.19Å; E501-K504 WeakPolarHBondContact O-CE 3.29Å; E501-K504 PolarHBondContact O-N 2.79Å; K504-L507 PolarHBondContact O-N 3.2Å; K504-V508 WeakPolarHBondContact O-CG2 3.47Å; K504-V508 PolarHBondContact O-N 3.48Å
505	D	72.7	Confident	69.1	Low	73 Å²	73	96.8 Å²	96.8	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-69.1	-36.1	177.5	-71.1	-35.9	0	0	0	112.4	E501 V508 S509	E501-D505 PolarHBondContact O-N 2.77Å; D505-V508 PolarHBondContact O-N 3.19Å; D505-S509 WeakPolarHBondContact O-CB 3.29Å; D505-S509 PolarHBondContact O-N 2.78Å
506	Q	73.3	Confident	68	Low	91 Å²	91	100.5 Å²	100.5	43%	0.425	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-41.1	169.3	-79.8	177.3	96.5	0	0	112.4	F502 M503 V508 S509 I510	F502-Q506 HydrophobicContact CE2-CG 4.42Å; F502-Q506 HydrophobicContact CZ-CG 4.44Å; F502-Q506 WeakPolarHBondContact O-CG 3.35Å; F502-Q506 PolarHBondContact O-N 2.96Å; F502-Q506 VanDerWaalsContact O-N 3.08Å; F502-Q506 PolarHBondContact O-NE2 3.02Å; M503-Q506 PolarHBondContact O-N 2.64Å; Q506-V508 VanDerWaalsContact C-N 3.35Å; Q506-V508 PolarHBondContact O-N 3.13Å; Q506-S509 WeakPolarHBondContact O-CB 3.42Å; Q506-S509 PolarHBondContact O-N 2.83Å; Q506-I510 WeakPolarHBondContact O-CG1 3.45Å; Q506-I510 PolarHBondContact O-N 3.45Å
507	L	67.7	Low	67.4	Low	128 Å²	128	98.6 Å²	98.6	67%	0.67	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-41.3	178.3	-157.7	81.4	0	0	0	111.5	M503 K504 I510 N511	M503-L507 WeakPolarHBondContact O-CB 3.43Å; M503-L507 PolarHBondContact O-N 3Å; K504-L507 PolarHBondContact O-N 3.2Å; L507-I510 PolarHBondContact O-N 2.99Å; L507-N511 WeakPolarHBondContact O-CB 3.44Å; L507-N511 PolarHBondContact O-N 2.85Å
508	V	71.3	Confident	66.7	Low	73 Å²	73	97.7 Å²	97.7	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-42.4	173.1	171.2	0	0	0	0	111.2	K504 D505 Q506 I510 N511 N512	K504-V508 WeakPolarHBondContact O-CG2 3.47Å; K504-V508 PolarHBondContact O-N 3.48Å; D505-V508 PolarHBondContact O-N 3.19Å; Q506-V508 VanDerWaalsContact C-N 3.35Å; Q506-V508 PolarHBondContact O-N 3.13Å; V508-I510 VanDerWaalsContact C-N 3.34Å; V508-I510 PolarHBondContact O-N 3Å; V508-N511 PolarHBondContact O-N 2.04Å; V508-N512 WeakPolarHBondContact O-CB 3.35Å; V508-N512 PolarHBondContact O-N 2.96Å; V508-N512 PolarHBondContact O-ND2 2.83Å; V508-N512 PolarHBondContact O-OD1 2.89Å
509	S	69.9	Low	65.6	Low	77 Å²	77	96 Å²	96	54%	0.538	50%	0.501	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175	-171	0	0	0	0	112.2	D505 Q506 S513	D505-S509 WeakPolarHBondContact O-CB 3.29Å; D505-S509 PolarHBondContact O-N 2.78Å; Q506-S509 WeakPolarHBondContact O-CB 3.42Å; Q506-S509 PolarHBondContact O-N 2.83Å; S509-S513 WeakPolarHBondContact O-CB 3.42Å; S509-S513 PolarHBondContact O-N 2.89Å
510	I	70.4	Confident	64.5	Low	97 Å²	97	96.2 Å²	96.2	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-45.4	175.9	-68.3	164.3	0	0	0	111	Q506 L507 V508 N512 S513 I514	Q506-I510 WeakPolarHBondContact O-CG1 3.45Å; Q506-I510 PolarHBondContact O-N 3.45Å; L507-I510 PolarHBondContact O-N 2.99Å; V508-I510 VanDerWaalsContact C-N 3.34Å; V508-I510 PolarHBondContact O-N 3Å; I510-N512 PolarHBondContact O-N 2.92Å; I510-S513 WeakPolarHBondContact O-CB 3.41Å; I510-S513 PolarHBondContact O-N 3.47Å; I510-S513 VanDerWaalsContact O-N 3.16Å; I510-I514 HydrophobicContact CG2-CD1 3.88Å; I510-I514 WeakPolarHBondContact O-CG1 3.03Å; I510-I514 PolarHBondContact O-N 3.3Å
511	N	68.5	Low	63.7	Low	78 Å²	78	93.6 Å²	93.6	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-57.8	-49.1	176.5	-170.3	91.1	0	0	0	111.3	L507 V508 S513 I514 E515	L507-N511 WeakPolarHBondContact O-CB 3.44Å; L507-N511 PolarHBondContact O-N 2.85Å; V508-N511 PolarHBondContact O-N 2.04Å; N511-S513 VanDerWaalsContact C-N 3.27Å; N511-S513 PolarHBondContact O-N 3.37Å; N511-I514 PolarHBondContact O-N 2.84Å; N511-I514 VanDerWaalsContact O-N 3.12Å; N511-E515 PolarHBondContact ND2-OE1 3.15Å; N511-E515 PolarHBondContact ND2-OE2 2.91Å; N511-E515 PolarHBondContact O-N 3.5Å
512	N	67.3	Low	62.8	Low	73 Å²	73	98.8 Å²	98.8	39%	0.39	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-35.3	177.9	-64.2	-8	0	0	0	111.6	V508 I510 N516	V508-N512 WeakPolarHBondContact O-CB 3.35Å; V508-N512 PolarHBondContact O-N 2.96Å; V508-N512 PolarHBondContact O-ND2 2.83Å; V508-N512 PolarHBondContact O-OD1 2.89Å; I510-N512 PolarHBondContact O-N 2.92Å; N512-N516 WeakPolarHBondContact O-CB 3.34Å; N512-N516 PolarHBondContact O-N 3.48Å; N512-N516 PolarHBondContact O-ND2 3.39Å
513	S	60.6	Low	61.7	Low	83 Å²	83	98.2 Å²	98.2	58%	0.58	52%	0.52	S	S	*	.	H	α-helix	trans	-67.2	-35.9	175.2	-162.5	0	0	0	0	112.2	S509 I510 N511 S517	S509-S513 WeakPolarHBondContact O-CB 3.42Å; S509-S513 PolarHBondContact O-N 2.89Å; I510-S513 WeakPolarHBondContact O-CB 3.41Å; I510-S513 PolarHBondContact O-N 3.47Å; I510-S513 VanDerWaalsContact O-N 3.16Å; N511-S513 VanDerWaalsContact C-N 3.27Å; N511-S513 PolarHBondContact O-N 3.37Å; S513-S517 WeakPolarHBondContact O-CB 3.2Å; S513-S517 PolarHBondContact O-N 2.93Å; S513-S517 VanDerWaalsContact O-N 3.07Å
514	I	61	Low	60.7	Low	107 Å²	107	100.3 Å²	100.3	55%	0.549	53%	0.534	S	S	.	.	H	α-helix	trans	-70.2	-45.9	174.2	-67	164.8	0	0	0	110.6	I510 N511 N516 S517	I510-I514 HydrophobicContact CG2-CD1 3.88Å; I510-I514 WeakPolarHBondContact O-CG1 3.03Å; I510-I514 PolarHBondContact O-N 3.3Å; N511-I514 PolarHBondContact O-N 2.84Å; N511-I514 VanDerWaalsContact O-N 3.12Å; I514-N516 VanDerWaalsContact C-N 3.29Å; I514-N516 PolarHBondContact O-N 2.85Å; I514-S517 WeakPolarHBondContact O-CB 3.44Å; I514-S517 PolarHBondContact O-N 2.76Å; I514-S517 PolarHBondContact O-OG 3.19Å
515	E	57.3	Low	59.7	Low	141 Å²	141	104.3 Å²	104.3	66%	0.659	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-29.8	177.2	-73.3	177.4	171.2	0	0	113.4	N511	N511-E515 PolarHBondContact ND2-OE1 3.15Å; N511-E515 PolarHBondContact ND2-OE2 2.91Å; N511-E515 PolarHBondContact O-N 3.5Å
516	N	54.4	Low	58.5	Low	137 Å²	137	103.7 Å²	103.7	73%	0.733	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.8	172.6	-73.1	-87.8	0	0	0	113.3	N512 I514 D518	N512-N516 WeakPolarHBondContact O-CB 3.34Å; N512-N516 PolarHBondContact O-N 3.48Å; N512-N516 PolarHBondContact O-ND2 3.39Å; I514-N516 VanDerWaalsContact C-N 3.29Å; I514-N516 PolarHBondContact O-N 2.85Å; N516-D518 PolarHBondContact O-N 3.1Å
517	S	55.5	Low	57.3	Low	50 Å²	50	108.4 Å²	108.4	35%	0.35	57%	0.573	S	S	.	*	S	Bend	trans	-80.9	114.3	174.4	73.5	0	0	0	0	109.7	S513 I514 L519	S513-S517 WeakPolarHBondContact O-CB 3.2Å; S513-S517 PolarHBondContact O-N 2.93Å; S513-S517 VanDerWaalsContact O-N 3.07Å; I514-S517 WeakPolarHBondContact O-CB 3.44Å; I514-S517 PolarHBondContact O-N 2.76Å; I514-S517 PolarHBondContact O-OG 3.19Å; S517-L519 PolarHBondContact O-N 2.99Å
518	D	51.9	Low	56.2	Low	83 Å²	83	110 Å²	110	44%	0.444	58%	0.583	S	S	.	*			trans	-72	76.6	-179.2	-180	26.1	0	0	0	111.7	N516 D521 R522	N516-D518 PolarHBondContact O-N 3.1Å; D518-D521 VanDerWaalsContact OD1-CB 3.3Å; D518-D521 WeakPolarHBondContact OD1-CB 3.49Å; D518-D521 PolarHBondContact OD1-N 3.18Å; D518-R522 WeakPolarHBondContact O-CD 3.23Å; D518-R522 VanDerWaalsContact O-CG 3.26Å; D518-R522 WeakPolarHBondContact O-CG 3.04Å
519	L	52.3	Low	55.1	Low	115 Å²	115	111 Å²	111	60%	0.602	59%	0.593	S	S	*	*			trans	-95.1	-22.1	168.2	-88	154.9	0	0	0	111.6	S517 L523	S517-L519 PolarHBondContact O-N 2.99Å; L519-L523 PolarHBondContact O-N 3.38Å
520	S	50.2	Low	54.2	Low	88 Å²	88	111.2 Å²	111.2	62%	0.615	61%	0.607	S	S	*	*	H	α-helix	trans	-75.3	-56.6	-177.7	-155.5	0	0	0	0	112.3	R522 L523 D524	S520-R522 PolarHBondContact O-N 2.63Å; S520-R522 VanDerWaalsContact O-N 3.11Å; S520-L523 PolarHBondContact O-N 3.42Å; S520-D524 PolarHBondContact O-N 3.09Å
521	D	50.6	Low	52.8	Low	92 Å²	92	114.6 Å²	114.6	49%	0.492	63%	0.625	S	S	.	*	H	α-helix	trans	-70.7	-10.2	-179.5	-74.7	23.1	0	0	0	112.3	D518 R525	D518-D521 VanDerWaalsContact OD1-CB 3.3Å; D518-D521 WeakPolarHBondContact OD1-CB 3.49Å; D518-D521 PolarHBondContact OD1-N 3.18Å; D521-R525 WeakPolarHBondContact O-CB 3.46Å; D521-R525 PolarHBondContact O-NH1 3.46Å; D521-R525 VanDerWaalsContact O-NH1 3.15Å; D521-R525 PolarHBondContact O-NH2 2.92Å; D521-R525 IonicContact OD2-NH2 2.69Å
522	R	51.3	Low	51.6	Low	176 Å²	176	114.9 Å²	114.9	66%	0.664	64%	0.639	S	S	*	*	H	α-helix	trans	-91.3	-27.8	177.3	-67.1	-167.9	66.6	-168.9	-4.5	114	D518 S520	D518-R522 WeakPolarHBondContact O-CD 3.23Å; D518-R522 VanDerWaalsContact O-CG 3.26Å; D518-R522 WeakPolarHBondContact O-CG 3.04Å; S520-R522 PolarHBondContact O-N 2.63Å; S520-R522 VanDerWaalsContact O-N 3.11Å
523	L	51.8	Low	50.8	Low	118 Å²	118	121.1 Å²	121.1	62%	0.618	66%	0.662	S	S	*	*	H	α-helix	trans	-75.2	-45.4	173.5	-98.3	151.6	0	0	0	111.3	L519 S520 R525 A526	L519-L523 PolarHBondContact O-N 3.38Å; S520-L523 PolarHBondContact O-N 3.42Å; L523-R525 PolarHBondContact O-N 3.45Å; L523-A526 WeakPolarHBondContact O-CB 3.46Å; L523-A526 PolarHBondContact O-N 3.45Å
524	D	47.2	Very low	50	Low	144 Å²	144	124 Å²	124	77%	0.77	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-19.2	174.9	-79.2	4.5	0	0	0	113.3	S520	S520-D524 PolarHBondContact O-N 3.09Å
525	R	49.1	Very low	49.3	Very low	167 Å²	167	121.6 Å²	121.6	63%	0.63	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	2	178.4	-152.6	171.7	-65.1	122	3.9	113.6	D521 L523	D521-R525 WeakPolarHBondContact O-CB 3.46Å; D521-R525 PolarHBondContact O-NH1 3.46Å; D521-R525 VanDerWaalsContact O-NH1 3.15Å; D521-R525 PolarHBondContact O-NH2 2.92Å; D521-R525 IonicContact OD2-NH2 2.69Å; L523-R525 PolarHBondContact O-N 3.45Å
526	A	47.2	Very low	48.8	Very low	60 Å²	60	118.3 Å²	118.3	50%	0.496	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	-21.6	-177.1	0	0	0	0	0	114.4	L523 D528	L523-A526 WeakPolarHBondContact O-CB 3.46Å; L523-A526 PolarHBondContact O-N 3.45Å; A526-D528 VanDerWaalsContact C-N 3.34Å; A526-D528 PolarHBondContact O-N 3.37Å
527	E	47.7	Very low	48.2	Very low	189 Å²	189	119.1 Å²	119.1	88%	0.883	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-18.5	-174.2	-63.5	-154.4	131.9	0	0	114.7
528	D	44.6	Very low	47.6	Very low	162 Å²	162	122.5 Å²	122.5	87%	0.866	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	18.5	-173.3	-160.7	37.5	0	0	0	114.7	A526	A526-D528 VanDerWaalsContact C-N 3.34Å; A526-D528 PolarHBondContact O-N 3.37Å
529	S	47.9	Very low	47.2	Very low	93 Å²	93	124.9 Å²	124.9	65%	0.65	69%	0.69	S	S	*	*			trans	-143.6	70.7	178.2	58.8	0	0	0	0	114.8	L531	S529-L531 PolarHBondContact O-N 2.91Å
530	G	52	Low	47	Very low	82 Å²	82	121.7 Å²	121.7	85%	0.845	68%	0.68	S	S	*	*			trans	-70.2	105.8	177.1	0	0	0	0	0	114.4
531	L	41.1	Very low	46.9	Very low	168 Å²	168	121.5 Å²	121.5	88%	0.88	67%	0.672	S	S	*	*			trans	-151.2	145.3	165.4	-112.1	168.5	0	0	0	112.4	S529	S529-L531 PolarHBondContact O-N 2.91Å
532	A	42.6	Very low	46.7	Very low	85 Å²	85	121.6 Å²	121.6	70%	0.702	67%	0.673	S	S	*	*			trans	48.2	83.8	165.3	0	0	0	0	0	118.4	D534	A532-D534 PolarHBondContact O-N 3.19Å
533	K	49.8	Very low	46.6	Very low	203 Å²	203	119.2 Å²	119.2	88%	0.883	67%	0.673	S	S	*	*			trans	-69.5	123.9	152.6	-66.8	-176.8	177.8	-174.9	0	109.2
534	D	44.8	Very low	46.6	Very low	144 Å²	144	118.6 Å²	118.6	77%	0.77	67%	0.669	S	S	*	*	S	Bend	trans	165.3	-30.4	144.2	-87.4	-3.8	0	0	0	110.9	A532	A532-D534 PolarHBondContact O-N 3.19Å
535	G	45.7	Very low	46.8	Very low	56 Å²	56	117.6 Å²	117.6	58%	0.577	66%	0.66	S	S	*	*	S	Bend	trans	-74	-48.2	175.7	0	0	0	0	0	113.7	M537 Q538	G535-M537 PolarHBondContact O-N 2.99Å; G535-Q538 PolarHBondContact O-N 3.45Å
536	A	46.9	Very low	46.8	Very low	73 Å²	73	115.3 Å²	115.3	60%	0.603	66%	0.659	S	S	*	*	H	α-helix	trans	-67.2	-6.1	-172.7	0	0	0	0	0	115.4	A540	A536-A540 VanDerWaalsContact O-CB 3.28Å; A536-A540 WeakPolarHBondContact O-CB 3.46Å; A536-A540 PolarHBondContact O-N 3.09Å
537	M	41.8	Very low	47	Very low	153 Å²	153	115.3 Å²	115.3	75%	0.754	66%	0.655	S	S	*	*	H	α-helix	trans	-90.5	-18	179.1	-158.4	166.3	71.4	0	0	113.1	G535	G535-M537 PolarHBondContact O-N 2.99Å
538	Q	43.8	Very low	47.2	Very low	121 Å²	121	113.9 Å²	113.9	57%	0.565	64%	0.641	S	S	*	*	H	α-helix	trans	-85.6	-47	172.2	-163.8	67.4	59.5	0	0	110.6	G535 A540 D541 D542	G535-Q538 PolarHBondContact O-N 3.45Å; Q538-A540 PolarHBondContact O-N 3.49Å; Q538-D541 PolarHBondContact O-N 3.12Å; Q538-D542 PolarHBondContact O-N 2.94Å; Q538-D542 VanDerWaalsContact O-N 3.07Å
539	E	43.3	Very low	47.7	Very low	134 Å²	134	113.4 Å²	113.4	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-62.5	-26.1	178.2	-167.8	170	-154.2	0	0	112.6	L543	E539-L543 WeakPolarHBondContact O-CB 3.48Å; E539-L543 WeakPolarHBondContact O-CD1 3.48Å; E539-L543 WeakPolarHBondContact O-CG 3.35Å; E539-L543 PolarHBondContact O-N 3.37Å
540	A	48.8	Very low	47.9	Very low	47 Å²	47	114.9 Å²	114.9	39%	0.388	63%	0.63	S	S	.	*	H	α-helix	trans	-78	-25.3	172.2	0	0	0	0	0	114.2	A536 Q538 L544	A536-A540 VanDerWaalsContact O-CB 3.28Å; A536-A540 WeakPolarHBondContact O-CB 3.46Å; A536-A540 PolarHBondContact O-N 3.09Å; Q538-A540 PolarHBondContact O-N 3.49Å; A540-L544 WeakPolarHBondContact O-CB 3.22Å; A540-L544 WeakPolarHBondContact O-CD1 3.29Å; A540-L544 WeakPolarHBondContact O-CG 3.29Å; A540-L544 PolarHBondContact O-N 2.9Å
541	D	46.3	Very low	47.9	Very low	84 Å²	84	117.5 Å²	117.5	45%	0.449	62%	0.62	S	S	.	*	H	α-helix	trans	-80.4	-45.3	177	-146.2	27.4	0	0	0	109.4	Q538 L543 L544 E545	Q538-D541 PolarHBondContact O-N 3.12Å; D541-L543 VanDerWaalsContact C-N 3.27Å; D541-L543 PolarHBondContact O-N 3.36Å; D541-L544 CarbonylContact O-C 3.56Å; D541-L544 WeakPolarHBondContact O-CA 3.46Å; D541-L544 PolarHBondContact O-N 3.39Å; D541-E545 PolarHBondContact O-N 3.4Å
542	D	47.7	Very low	48.6	Very low	95 Å²	95	115.6 Å²	115.6	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-56.8	-37.3	173.3	-65.2	5.8	0	0	0	112.1	Q538 L544	Q538-D542 PolarHBondContact O-N 2.94Å; Q538-D542 VanDerWaalsContact O-N 3.07Å; D542-L544 VanDerWaalsContact C-N 3.31Å; D542-L544 PolarHBondContact O-N 2.96Å
543	L	49.4	Very low	49.3	Very low	126 Å²	126	114.6 Å²	114.6	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-73.9	-16.8	174.2	-82.2	170.2	0	0	0	114.1	E539 D541 P547	E539-L543 WeakPolarHBondContact O-CB 3.48Å; E539-L543 WeakPolarHBondContact O-CD1 3.48Å; E539-L543 WeakPolarHBondContact O-CG 3.35Å; E539-L543 PolarHBondContact O-N 3.37Å; D541-L543 VanDerWaalsContact C-N 3.27Å; D541-L543 PolarHBondContact O-N 3.36Å; L543-P547 WeakPolarHBondContact O-CD 3.32Å
544	L	51.1	Low	49.6	Very low	105 Å²	105	110.3 Å²	110.3	55%	0.55	57%	0.574	S	S	.	*	H	α-helix	trans	-100	-13.7	179.4	-74	173.8	0	0	0	113.8	A540 D541 D542	A540-L544 WeakPolarHBondContact O-CB 3.22Å; A540-L544 WeakPolarHBondContact O-CD1 3.29Å; A540-L544 WeakPolarHBondContact O-CG 3.29Å; A540-L544 PolarHBondContact O-N 2.9Å; D541-L544 CarbonylContact O-C 3.56Å; D541-L544 WeakPolarHBondContact O-CA 3.46Å; D541-L544 PolarHBondContact O-N 3.39Å; D542-L544 VanDerWaalsContact C-N 3.31Å; D542-L544 PolarHBondContact O-N 2.96Å
545	E	51.6	Low	50.2	Low	123 Å²	123	110.6 Å²	110.6	58%	0.575	56%	0.564	S	S	*	*	H	α-helix	trans	-65.3	-43.6	170.4	-69.1	-153.9	127.2	0	0	112.3	D541 R548 E549	D541-E545 PolarHBondContact O-N 3.4Å; E545-R548 CarbonylContact O-C 3.54Å; E545-R548 WeakPolarHBondContact O-CA 3.43Å; E545-R548 WeakPolarHBondContact O-CB 3.48Å; E545-R548 PolarHBondContact O-N 3.27Å; E545-E549 PolarHBondContact O-N 3.04Å
546	L	48.3	Very low	51.4	Low	118 Å²	118	113.8 Å²	113.8	62%	0.618	56%	0.558	S	S	*	*	H	α-helix	trans	-59.1	-47.1	-175.1	-120.7	156.1	0	0	0	113.5	R548 Q550	L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 2.96Å; L546-Q550 WeakPolarHBondContact O-CG 3.42Å; L546-Q550 PolarHBondContact O-N 2.73Å
547	P	51.5	Low	52.3	Low	61 Å²	61	117.7 Å²	117.7	40%	0.396	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-29.8	170.8	-23	34.9	0	0	0	113.6	L543 H551	L543-P547 WeakPolarHBondContact O-CD 3.32Å; P547-H551 WeakPolarHBondContact O-CB 3.38Å; P547-H551 PolarHBondContact O-N 3.38Å
548	R	52	Low	53.2	Low	158 Å²	158	115.4 Å²	115.4	60%	0.596	55%	0.548	S	S	*	.	H	α-helix	trans	-69.2	-46.9	179.1	-128.2	174.8	-171.2	158.2	3.7	111.4	E545 L546 H551 H552	E545-R548 CarbonylContact O-C 3.54Å; E545-R548 WeakPolarHBondContact O-CA 3.43Å; E545-R548 WeakPolarHBondContact O-CB 3.48Å; E545-R548 PolarHBondContact O-N 3.27Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 2.96Å; R548-H551 PolarHBondContact O-N 3.47Å; R548-H552 PolarHBondContact O-CD2 3.44Å; R548-H552 PolarHBondContact O-N 3.25Å
549	E	55.2	Low	54.1	Low	153 Å²	153	113.6 Å²	113.6	72%	0.715	54%	0.542	S	S	*	.	H	α-helix	trans	-62.1	-42.9	174.5	-70.8	-139.2	130.6	0	0	111.4	E545 H551 H552 E553	E545-E549 PolarHBondContact O-N 3.04Å; E549-H551 VanDerWaalsContact C-N 3.35Å; E549-H551 PolarHBondContact O-N 2.95Å; E549-H552 PolarHBondContact O-N 2.97Å; E549-H552 VanDerWaalsContact O-N 3.16Å; E549-E553 PolarHBondContact O-N 3.37Å
550	Q	52	Low	55.5	Low	123 Å²	123	111 Å²	111	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-60.5	-41.6	174.9	-73.1	-174.4	-3.2	0	0	112.4	L546 E553 L554	L546-Q550 WeakPolarHBondContact O-CG 3.42Å; L546-Q550 PolarHBondContact O-N 2.73Å; Q550-E553 PolarHBondContact O-N 2.97Å; Q550-L554 WeakPolarHBondContact O-CB 3.48Å; Q550-L554 PolarHBondContact O-N 3.46Å
551	H	52.7	Low	56.2	Low	138 Å²	138	112.5 Å²	112.5	64%	0.639	53%	0.531	S	S	*	.	H	α-helix	trans	-65.5	-35.8	174	-100.5	-78.9	0	0	0	113.3	P547 R548 E549 R555	P547-H551 WeakPolarHBondContact O-CB 3.38Å; P547-H551 PolarHBondContact O-N 3.38Å; R548-H551 PolarHBondContact O-N 3.47Å; E549-H551 VanDerWaalsContact C-N 3.35Å; E549-H551 PolarHBondContact O-N 2.95Å; H551-R555 WeakPolarHBondContact O-CB 3.46Å; H551-R555 PolarHBondContact O-N 2.86Å
552	H	54.7	Low	56.8	Low	128 Å²	128	110.6 Å²	110.6	59%	0.593	53%	0.532	S	S	*	.	H	α-helix	trans	-71.4	-39.7	175.8	-77.6	-57.7	0	0	0	112.5	R548 E549 R555 R556	R548-H552 PolarHBondContact O-CD2 3.44Å; R548-H552 PolarHBondContact O-N 3.25Å; E549-H552 PolarHBondContact O-N 2.97Å; E549-H552 VanDerWaalsContact O-N 3.16Å; H552-R555 PolarHBondContact O-N 3.4Å; H552-R556 WeakPolarHBondContact O-CB 3.49Å; H552-R556 PolarHBondContact O-N 2.84Å
553	E	57.6	Low	58.2	Low	64 Å²	64	112.5 Å²	112.5	30%	0.299	53%	0.532	S	S	.	.	H	α-helix	trans	-67.7	-41.1	174	172.9	61.6	-177.2	0	0	111.9	E549 Q550 R555 R556 R557	E549-E553 PolarHBondContact O-N 3.37Å; Q550-E553 PolarHBondContact O-N 2.97Å; E553-R555 VanDerWaalsContact C-N 3.35Å; E553-R555 PolarHBondContact O-N 3.09Å; E553-R556 VanDerWaalsContact CD-NH2 3.27Å; E553-R556 PolarHBondContact O-N 3.47Å; E553-R556 IonicContact OE1-CZ 2.66Å; E553-R556 IonicContact OE1-NH2 2.76Å; E553-R556 PolarHBondContact OE1-NH2 3.24Å; E553-R556 IonicContact OE2-CZ 3.32Å; E553-R556 VanDerWaalsContact OE2-CZ 3.22Å; E553-R556 IonicContact OE2-NE 2.7Å; E553-R556 PolarHBondContact OE2-NE 3.04Å; E553-R556 IonicContact OE2-NH2 3.85Å; E553-R556 PolarHBondContact OE2-NH2 3.48Å; E553-R557 WeakPolarHBondContact O-CG 3.31Å; E553-R557 PolarHBondContact O-N 3.31Å; E553-R557 IonicContact OE1-CZ 2.82Å; E553-R557 VanDerWaalsContact OE1-CZ 3.23Å; E553-R557 IonicContact OE1-NE 2.88Å; E553-R557 PolarHBondContact OE1-NE 3.23Å; E553-R557 IonicContact OE1-NH2 3.93Å; E553-R557 PolarHBondContact OE1-NH2 3.21Å
554	L	57.1	Low	59.1	Low	113 Å²	113	112.5 Å²	112.5	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-60.1	-43.5	172.2	-87.7	163.6	0	0	0	111.9	Q550 R557 L558	Q550-L554 WeakPolarHBondContact O-CB 3.48Å; Q550-L554 PolarHBondContact O-N 3.46Å; L554-R557 PolarHBondContact O-N 2.99Å; L554-L558 PolarHBondContact O-N 3.49Å
555	R	57.7	Low	59.7	Low	150 Å²	150	111.5 Å²	111.5	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-64.1	-45.3	174.8	178.1	159.4	-72.1	-78.8	0	111.6	H551 H552 E553 R557 L558 D559	H551-R555 WeakPolarHBondContact O-CB 3.46Å; H551-R555 PolarHBondContact O-N 2.86Å; H552-R555 PolarHBondContact O-N 3.4Å; E553-R555 VanDerWaalsContact C-N 3.35Å; E553-R555 PolarHBondContact O-N 3.09Å; R555-R557 VanDerWaalsContact C-N 3.29Å; R555-R557 PolarHBondContact O-N 2.79Å; R555-L558 WeakPolarHBondContact O-CB 3.49Å; R555-L558 PolarHBondContact O-N 2.79Å; R555-L558 VanDerWaalsContact O-N 3.1Å; R555-D559 WeakPolarHBondContact CG-OD2 3.4Å; R555-D559 WeakPolarHBondContact O-CB 3.21Å; R555-D559 VanDerWaalsContact O-CG 3.27Å; R555-D559 PolarHBondContact O-N 3.25Å
556	R	69.8	Low	60.6	Low	122 Å²	122	112 Å²	112	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-58.3	-40.1	176.4	-167.5	-168.1	66	74.5	2.1	112	H552 E553 D559 E560	H552-R556 WeakPolarHBondContact O-CB 3.49Å; H552-R556 PolarHBondContact O-N 2.84Å; E553-R556 VanDerWaalsContact CD-NH2 3.27Å; E553-R556 PolarHBondContact O-N 3.47Å; E553-R556 IonicContact OE1-CZ 2.66Å; E553-R556 IonicContact OE1-NH2 2.76Å; E553-R556 PolarHBondContact OE1-NH2 3.24Å; E553-R556 IonicContact OE2-CZ 3.32Å; E553-R556 VanDerWaalsContact OE2-CZ 3.22Å; E553-R556 IonicContact OE2-NE 2.7Å; E553-R556 PolarHBondContact OE2-NE 3.04Å; E553-R556 IonicContact OE2-NH2 3.85Å; E553-R556 PolarHBondContact OE2-NH2 3.48Å; R556-D559 PolarHBondContact O-N 2.74Å; R556-E560 IonicContact NH1-OE2 2.61Å; R556-E560 WeakPolarHBondContact O-CB 3.24Å; R556-E560 PolarHBondContact O-N 3.5Å
557	R	65.6	Low	61.9	Low	155 Å²	155	108.1 Å²	108.1	59%	0.585	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-40.2	174.3	-72.6	178.6	-172.3	-144	-0.9	112.7	E553 L554 R555 D559 E560 L561	E553-R557 WeakPolarHBondContact O-CG 3.31Å; E553-R557 PolarHBondContact O-N 3.31Å; E553-R557 IonicContact OE1-CZ 2.82Å; E553-R557 VanDerWaalsContact OE1-CZ 3.23Å; E553-R557 IonicContact OE1-NE 2.88Å; E553-R557 PolarHBondContact OE1-NE 3.23Å; E553-R557 IonicContact OE1-NH2 3.93Å; E553-R557 PolarHBondContact OE1-NH2 3.21Å; L554-R557 PolarHBondContact O-N 2.99Å; R555-R557 VanDerWaalsContact C-N 3.29Å; R555-R557 PolarHBondContact O-N 2.79Å; R557-D559 VanDerWaalsContact C-N 3.34Å; R557-E560 WeakPolarHBondContact O-CB 3.36Å; R557-E560 PolarHBondContact O-N 2.9Å; R557-L561 WeakPolarHBondContact O-CB 3.19Å; R557-L561 PolarHBondContact O-N 2.9Å
558	L	61.8	Low	62.4	Low	106 Å²	106	109.7 Å²	109.7	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-38.1	175.5	-168	67	0	0	0	111.7	L554 R555 E560 G562	L554-L558 PolarHBondContact O-N 3.49Å; R555-L558 WeakPolarHBondContact O-CB 3.49Å; R555-L558 PolarHBondContact O-N 2.79Å; R555-L558 VanDerWaalsContact O-N 3.1Å; L558-E560 VanDerWaalsContact C-N 3.33Å; L558-G562 PolarHBondContact O-N 2.68Å
559	D	62.9	Low	62.9	Low	83 Å²	83	106.9 Å²	106.9	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-75	-19.2	175.8	-63.4	-31.7	0	0	0	112.9	R555 R556 R557 R563	R555-D559 WeakPolarHBondContact CG-OD2 3.4Å; R555-D559 WeakPolarHBondContact O-CB 3.21Å; R555-D559 VanDerWaalsContact O-CG 3.27Å; R555-D559 PolarHBondContact O-N 3.25Å; R556-D559 PolarHBondContact O-N 2.74Å; R557-D559 VanDerWaalsContact C-N 3.34Å; D559-R563 WeakPolarHBondContact O-CG 3.5Å; D559-R563 PolarHBondContact O-NE 3.07Å; D559-R563 PolarHBondContact O-NH2 2.88Å
560	E	71.1	Confident	63.6	Low	80 Å²	80	102.2 Å²	102.2	37%	0.374	49%	0.49	S	S	.	.	H	α-helix	trans	-76.4	-54.4	167.4	-160	73.8	-120.9	0	0	110.4	R556 R557 L558 G562 R563 E564	R556-E560 IonicContact NH1-OE2 2.61Å; R556-E560 WeakPolarHBondContact O-CB 3.24Å; R556-E560 PolarHBondContact O-N 3.5Å; R557-E560 WeakPolarHBondContact O-CB 3.36Å; R557-E560 PolarHBondContact O-N 2.9Å; L558-E560 VanDerWaalsContact C-N 3.33Å; E560-G562 VanDerWaalsContact C-N 3.27Å; E560-G562 PolarHBondContact O-N 2.86Å; E560-R563 WeakPolarHBondContact O-CA 3.45Å; E560-R563 WeakPolarHBondContact O-CB 3.35Å; E560-R563 PolarHBondContact O-N 3Å; E560-R563 IonicContact OE1-CZ 2.86Å; E560-R563 IonicContact OE1-NH1 3.66Å; E560-R563 PolarHBondContact OE1-NH1 2.98Å; E560-R563 IonicContact OE1-NH2 3.72Å; E560-R563 PolarHBondContact OE1-NH2 2.83Å; E560-R563 VanDerWaalsContact OE1-NH2 3.11Å; E560-R563 IonicContact OE2-CZ 3.22Å; E560-R563 IonicContact OE2-NH1 2.73Å; E560-R563 IonicContact OE2-NH2 3.22Å; E560-R563 PolarHBondContact OE2-NH2 2.87Å; E560-E564 PolarHBondContact O-N 3.43Å
561	L	64.4	Low	64.6	Low	77 Å²	77	102.6 Å²	102.6	40%	0.403	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-38.8	177.9	-176.1	65.1	0	0	0	111.7	R557 R563 E564 V565	R557-L561 WeakPolarHBondContact O-CB 3.19Å; R557-L561 PolarHBondContact O-N 2.9Å; L561-R563 VanDerWaalsContact C-N 3.29Å; L561-R563 PolarHBondContact O-N 2.96Å; L561-E564 PolarHBondContact O-N 2.04Å; L561-V565 HydrophobicContact CD1-CG2 4.16Å; L561-V565 HydrophobicContact CG-CG2 4.29Å; L561-V565 WeakPolarHBondContact O-CB 3.46Å; L561-V565 VanDerWaalsContact O-CG2 3.31Å; L561-V565 WeakPolarHBondContact O-CG2 3.44Å; L561-V565 PolarHBondContact O-N 3.02Å
562	G	58.1	Low	64.7	Low	45 Å²	45	99.5 Å²	99.5	46%	0.464	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-28.3	174.6	0	0	0	0	0	114.1	L558 E560 K566	L558-G562 PolarHBondContact O-N 2.68Å; E560-G562 VanDerWaalsContact C-N 3.27Å; E560-G562 PolarHBondContact O-N 2.86Å; G562-K566 VanDerWaalsContact O-CB 3.32Å; G562-K566 WeakPolarHBondContact O-CB 3.35Å; G562-K566 PolarHBondContact O-N 3.23Å
563	R	77.1	Confident	65.3	Low	135 Å²	135	99.6 Å²	99.6	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-78.9	-38.5	171.5	-78	178.7	-73.9	120.2	-6	111.8	D559 E560 L561 K566 A567	D559-R563 WeakPolarHBondContact O-CG 3.5Å; D559-R563 PolarHBondContact O-NE 3.07Å; D559-R563 PolarHBondContact O-NH2 2.88Å; E560-R563 WeakPolarHBondContact O-CA 3.45Å; E560-R563 WeakPolarHBondContact O-CB 3.35Å; E560-R563 PolarHBondContact O-N 3Å; E560-R563 IonicContact OE1-CZ 2.86Å; E560-R563 IonicContact OE1-NH1 3.66Å; E560-R563 PolarHBondContact OE1-NH1 2.98Å; E560-R563 IonicContact OE1-NH2 3.72Å; E560-R563 PolarHBondContact OE1-NH2 2.83Å; E560-R563 VanDerWaalsContact OE1-NH2 3.11Å; E560-R563 IonicContact OE2-CZ 3.22Å; E560-R563 IonicContact OE2-NH1 2.73Å; E560-R563 IonicContact OE2-NH2 3.22Å; E560-R563 PolarHBondContact OE2-NH2 2.87Å; L561-R563 VanDerWaalsContact C-N 3.29Å; L561-R563 PolarHBondContact O-N 2.96Å; R563-K566 PolarHBondContact O-N 3.38Å; R563-A567 WeakPolarHBondContact O-CB 3.23Å; R563-A567 PolarHBondContact O-N 3.17Å
564	E	68.1	Low	65.9	Low	125 Å²	125	101.9 Å²	101.9	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-68.2	-48.8	179.6	-167.2	162.1	-124.2	0	0	111.9	E560 L561 K566 A567 E568	E560-E564 PolarHBondContact O-N 3.43Å; L561-E564 PolarHBondContact O-N 2.04Å; E564-K566 VanDerWaalsContact C-N 3.26Å; E564-K566 PolarHBondContact O-N 2.82Å; E564-A567 PolarHBondContact O-N 2.88Å; E564-A567 VanDerWaalsContact O-N 3.12Å; E564-E568 PolarHBondContact O-N 3.29Å
565	V	64.6	Low	66.2	Low	85 Å²	85	100.9 Å²	100.9	52%	0.515	48%	0.484	S	S	.	.	H	α-helix	trans	-58.2	-38.2	172.4	170.4	0	0	0	0	111.5	L561 E568 N569	L561-V565 HydrophobicContact CD1-CG2 4.16Å; L561-V565 HydrophobicContact CG-CG2 4.29Å; L561-V565 WeakPolarHBondContact O-CB 3.46Å; L561-V565 VanDerWaalsContact O-CG2 3.31Å; L561-V565 WeakPolarHBondContact O-CG2 3.44Å; L561-V565 PolarHBondContact O-N 3.02Å; V565-E568 PolarHBondContact O-N 3.38Å; V565-N569 WeakPolarHBondContact O-CB 2.96Å; V565-N569 PolarHBondContact O-N 3.43Å
566	K	70	Confident	66.1	Low	134 Å²	134	98.3 Å²	98.3	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-65.8	-45.7	175.1	-174.9	179.5	176.9	-174.5	0	111.6	G562 R563 E564 E568 N569 D570	G562-K566 VanDerWaalsContact O-CB 3.32Å; G562-K566 WeakPolarHBondContact O-CB 3.35Å; G562-K566 PolarHBondContact O-N 3.23Å; R563-K566 PolarHBondContact O-N 3.38Å; E564-K566 VanDerWaalsContact C-N 3.26Å; E564-K566 PolarHBondContact O-N 2.82Å; K566-E568 VanDerWaalsContact C-N 3.29Å; K566-E568 PolarHBondContact O-N 3.32Å; K566-N569 PolarHBondContact O-N 3.47Å; K566-D570 WeakPolarHBondContact O-CB 3.4Å; K566-D570 VanDerWaalsContact O-CG 3.3Å; K566-D570 PolarHBondContact O-N 3.34Å
567	A	75.7	Confident	66	Low	35 Å²	35	99.9 Å²	99.9	29%	0.289	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-34.7	177.7	0	0	0	0	0	112.5	R563 E564 D570 R571	R563-A567 WeakPolarHBondContact O-CB 3.23Å; R563-A567 PolarHBondContact O-N 3.17Å; E564-A567 PolarHBondContact O-N 2.88Å; E564-A567 VanDerWaalsContact O-N 3.12Å; A567-D570 PolarHBondContact O-N 3.41Å; A567-R571 PolarHBondContact O-N 3.08Å
568	E	61.6	Low	65.9	Low	94 Å²	94	96.8 Å²	96.8	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-74.4	-38	176	-149	59.1	-120.1	0	0	112.5	E564 V565 K566 D570 R571 C572	E564-E568 PolarHBondContact O-N 3.29Å; V565-E568 PolarHBondContact O-N 3.38Å; K566-E568 VanDerWaalsContact C-N 3.29Å; K566-E568 PolarHBondContact O-N 3.32Å; E568-D570 VanDerWaalsContact C-N 3.31Å; E568-D570 PolarHBondContact O-N 3.01Å; E568-R571 VanDerWaalsContact CD-NE 3.3Å; E568-R571 PolarHBondContact O-N 2.91Å; E568-R571 IonicContact OE1-CZ 3.21Å; E568-R571 IonicContact OE1-NE 2.74Å; E568-R571 PolarHBondContact OE1-NE 2.97Å; E568-R571 IonicContact OE2-CZ 4Å; E568-R571 VanDerWaalsContact OE2-CZ 3.24Å; E568-R571 IonicContact OE2-NE 2.7Å; E568-R571 PolarHBondContact OE2-NE 3.39Å; E568-R571 IonicContact OE2-NH2 2.8Å; E568-R571 PolarHBondContact OE2-NH2 3.37Å; E568-C572 VanDerWaalsContact O-CB 3.26Å; E568-C572 WeakPolarHBondContact O-CB 3.44Å; E568-C572 PolarHBondContact O-N 3.42Å
569	N	63.1	Low	65.7	Low	100 Å²	100	96 Å²	96	54%	0.535	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-36.3	170.4	175.2	90.2	0	0	0	112	V565 K566 R573	V565-N569 WeakPolarHBondContact O-CB 2.96Å; V565-N569 PolarHBondContact O-N 3.43Å; K566-N569 PolarHBondContact O-N 3.47Å; N569-R573 WeakPolarHBondContact O-CB 3.25Å; N569-R573 PolarHBondContact O-N 3.2Å; N569-R573 VanDerWaalsContact O-N 3.11Å
570	D	70.2	Confident	65.4	Low	54 Å²	54	93.8 Å²	93.8	29%	0.289	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-44.8	173	-73.5	-33.3	0	0	0	111.2	K566 A567 E568 R573 E574	K566-D570 WeakPolarHBondContact O-CB 3.4Å; K566-D570 VanDerWaalsContact O-CG 3.3Å; K566-D570 PolarHBondContact O-N 3.34Å; A567-D570 PolarHBondContact O-N 3.41Å; E568-D570 VanDerWaalsContact C-N 3.31Å; E568-D570 PolarHBondContact O-N 3.01Å; D570-R573 PolarHBondContact O-N 3.12Å; D570-R573 IonicContact OD1-CZ 3.11Å; D570-R573 IonicContact OD1-NH1 3.93Å; D570-R573 PolarHBondContact OD1-NH1 3.46Å; D570-R573 IonicContact OD1-NH2 3.93Å; D570-R573 PolarHBondContact OD1-NH2 2.97Å; D570-E574 PolarHBondContact O-N 2.97Å; D570-E574 VanDerWaalsContact O-N 3.17Å
571	R	73.3	Confident	65.3	Low	131 Å²	131	94.9 Å²	94.9	49%	0.494	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-48	172.5	-82.5	-173.6	-80.1	-86.4	5.3	113.1	A567 E568 R573 E574 T575	A567-R571 PolarHBondContact O-N 3.08Å; E568-R571 VanDerWaalsContact CD-NE 3.3Å; E568-R571 PolarHBondContact O-N 2.91Å; E568-R571 IonicContact OE1-CZ 3.21Å; E568-R571 IonicContact OE1-NE 2.74Å; E568-R571 PolarHBondContact OE1-NE 2.97Å; E568-R571 IonicContact OE2-CZ 4Å; E568-R571 VanDerWaalsContact OE2-CZ 3.24Å; E568-R571 IonicContact OE2-NE 2.7Å; E568-R571 PolarHBondContact OE2-NE 3.39Å; E568-R571 IonicContact OE2-NH2 2.8Å; E568-R571 PolarHBondContact OE2-NH2 3.37Å; R571-R573 VanDerWaalsContact C-N 3.29Å; R571-R573 PolarHBondContact O-N 3.39Å; R571-E574 WeakPolarHBondContact O-CA 3.49Å; R571-E574 VanDerWaalsContact O-CB 3.26Å; R571-E574 WeakPolarHBondContact O-CB 3.45Å; R571-E574 PolarHBondContact O-N 3.41Å; R571-T575 PolarHBondContact O-N 3.05Å; R571-T575 PolarHBondContact O-OG1 3.3Å
572	C	53.6	Low	65.2	Low	73 Å²	73	96.6 Å²	96.6	49%	0.493	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-36.8	-179.8	-177.3	0	0	0	0	112.3	E568 T575 T576	E568-C572 VanDerWaalsContact O-CB 3.26Å; E568-C572 WeakPolarHBondContact O-CB 3.44Å; E568-C572 PolarHBondContact O-N 3.42Å; C572-T575 PolarHBondContact O-OG1 3.01Å; C572-T576 WeakPolarHBondContact O-CB 3.2Å; C572-T576 PolarHBondContact O-N 2.98Å; C572-T576 PolarHBondContact O-OG1 3.32Å
573	R	67.6	Low	64.9	Low	131 Å²	131	99.2 Å²	99.2	49%	0.494	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-37.6	172.7	-175.6	-175.1	60.4	-108.1	-5	112.1	N569 D570 R571 T576 R577	N569-R573 WeakPolarHBondContact O-CB 3.25Å; N569-R573 PolarHBondContact O-N 3.2Å; N569-R573 VanDerWaalsContact O-N 3.11Å; D570-R573 PolarHBondContact O-N 3.12Å; D570-R573 IonicContact OD1-CZ 3.11Å; D570-R573 IonicContact OD1-NH1 3.93Å; D570-R573 PolarHBondContact OD1-NH1 3.46Å; D570-R573 IonicContact OD1-NH2 3.93Å; D570-R573 PolarHBondContact OD1-NH2 2.97Å; R571-R573 VanDerWaalsContact C-N 3.29Å; R571-R573 PolarHBondContact O-N 3.39Å; R573-T576 PolarHBondContact O-N 3.02Å; R573-R577 PolarHBondContact O-N 3.42Å
574	E	70.8	Confident	64.3	Low	112 Å²	112	95.9 Å²	95.9	52%	0.523	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-51.6	174.3	-143.4	79	-178.9	0	0	110.5	D570 R571 T576 R577 D578	D570-E574 PolarHBondContact O-N 2.97Å; D570-E574 VanDerWaalsContact O-N 3.17Å; R571-E574 WeakPolarHBondContact O-CA 3.49Å; R571-E574 VanDerWaalsContact O-CB 3.26Å; R571-E574 WeakPolarHBondContact O-CB 3.45Å; R571-E574 PolarHBondContact O-N 3.41Å; E574-T576 VanDerWaalsContact C-N 3.3Å; E574-T576 PolarHBondContact O-N 3.48Å; E574-R577 WeakPolarHBondContact O-CA 3.17Å; E574-R577 VanDerWaalsContact O-CB 3.32Å; E574-R577 WeakPolarHBondContact O-CB 3.28Å; E574-R577 PolarHBondContact O-N 3.32Å; E574-D578 PolarHBondContact O-N 3.3Å
575	T	64.3	Low	64.2	Low	92 Å²	92	92.3 Å²	92.3	56%	0.564	48%	0.481	S	S	*	.	H	α-helix	trans	-62.8	-34.9	177	8.3	0	0	0	0	113.2	R571 C572 R577 M579	R571-T575 PolarHBondContact O-N 3.05Å; R571-T575 PolarHBondContact O-OG1 3.3Å; C572-T575 PolarHBondContact O-OG1 3.01Å; T575-R577 VanDerWaalsContact C-N 3.28Å; T575-R577 PolarHBondContact O-N 3.03Å; T575-M579 WeakPolarHBondContact O-CB 3.45Å; T575-M579 PolarHBondContact O-N 3.48Å
576	T	54.1	Low	63.8	Low	95 Å²	95	92.2 Å²	92.2	58%	0.583	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-33	174.5	-56	0	0	0	0	111.6	C572 R573 E574 G580	C572-T576 WeakPolarHBondContact O-CB 3.2Å; C572-T576 PolarHBondContact O-N 2.98Å; C572-T576 PolarHBondContact O-OG1 3.32Å; R573-T576 PolarHBondContact O-N 3.02Å; E574-T576 VanDerWaalsContact C-N 3.3Å; E574-T576 PolarHBondContact O-N 3.48Å; T576-G580 PolarHBondContact O-N 2.9Å
577	R	67.3	Low	63.1	Low	156 Å²	156	90.7 Å²	90.7	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-70.9	-50.9	174.7	-177.9	-161.4	160.6	90	11.7	110.9	R573 E574 T575 M579 G580 E581	R573-R577 PolarHBondContact O-N 3.42Å; E574-R577 WeakPolarHBondContact O-CA 3.17Å; E574-R577 VanDerWaalsContact O-CB 3.32Å; E574-R577 WeakPolarHBondContact O-CB 3.28Å; E574-R577 PolarHBondContact O-N 3.32Å; T575-R577 VanDerWaalsContact C-N 3.28Å; T575-R577 PolarHBondContact O-N 3.03Å; R577-M579 VanDerWaalsContact C-N 3.3Å; R577-M579 PolarHBondContact O-N 2.93Å; R577-G580 WeakPolarHBondContact O-CA 3.32Å; R577-G580 PolarHBondContact O-N 2.95Å; R577-E581 IonicContact CZ-OE1 3.16Å; R577-E581 IonicContact NE-OE1 2.9Å; R577-E581 PolarHBondContact NE-OE1 2.61Å; R577-E581 IonicContact NH2-OE1 2.64Å; R577-E581 PolarHBondContact NH2-OE1 2.86Å; R577-E581 PolarHBondContact O-N 3Å
578	D	65.2	Low	62.7	Low	89 Å²	89	92.3 Å²	92.3	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-58.2	-43.1	180	-67.8	-9	0	0	0	111.3	E574 G580 E581 E582	E574-D578 PolarHBondContact O-N 3.3Å; D578-G580 PolarHBondContact O-N 3.26Å; D578-E581 PolarHBondContact O-N 2.7Å; D578-E581 VanDerWaalsContact O-N 3.12Å; D578-E582 PolarHBondContact O-N 2.89Å
579	M	56.5	Low	63.3	Low	90 Å²	90	94.5 Å²	94.5	44%	0.443	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-25	175.7	-164.4	172.2	-169.9	0	0	112.8	Y482 T575 R577 L583	Y482-M579 HydrophobicContact CD1-CE 4.13Å; Y482-M579 HydrophobicContact CE1-CE 3.64Å; Y482-M579 HydrophobicContact CE1-SD 3.85Å; Y482-M579 HydrophobicContact CE2-CE 4.39Å; T575-M579 WeakPolarHBondContact O-CB 3.45Å; T575-M579 PolarHBondContact O-N 3.48Å; R577-M579 VanDerWaalsContact C-N 3.3Å; R577-M579 PolarHBondContact O-N 2.93Å; M579-L583 WeakPolarHBondContact O-CB 3.06Å; M579-L583 PolarHBondContact O-N 2.8Å
580	G	57.2	Low	63.2	Low	36 Å²	36	93.4 Å²	93.4	37%	0.371	48%	0.481	S	S	.	.	H	α-helix	trans	-71.7	-36.4	170.2	0	0	0	0	0	113.4	T576 R577 D578 L583 A584	T576-G580 PolarHBondContact O-N 2.9Å; R577-G580 WeakPolarHBondContact O-CA 3.32Å; R577-G580 PolarHBondContact O-N 2.95Å; D578-G580 PolarHBondContact O-N 3.26Å; G580-L583 PolarHBondContact O-N 3.02Å; G580-A584 PolarHBondContact O-N 2.98Å; G580-A584 VanDerWaalsContact O-N 3.09Å
581	E	69.4	Low	63	Low	104 Å²	104	94.6 Å²	94.6	49%	0.486	49%	0.49	S	S	.	.	H	α-helix	trans	-69.5	-39	174.7	-65.3	-173.6	-154.7	0	0	111.2	R577 D578 A584 S585	R577-E581 IonicContact CZ-OE1 3.16Å; R577-E581 IonicContact NE-OE1 2.9Å; R577-E581 PolarHBondContact NE-OE1 2.61Å; R577-E581 IonicContact NH2-OE1 2.64Å; R577-E581 PolarHBondContact NH2-OE1 2.86Å; R577-E581 PolarHBondContact O-N 3Å; D578-E581 PolarHBondContact O-N 2.7Å; D578-E581 VanDerWaalsContact O-N 3.12Å; E581-A584 PolarHBondContact O-N 3.35Å; E581-S585 PolarHBondContact O-N 3.47Å
582	E	61.2	Low	62.7	Low	112 Å²	112	93 Å²	93	52%	0.523	49%	0.492	S	S	.	.	H	α-helix	trans	-68.6	-30.8	170.4	-78.8	-63.6	169.3	0	0	113.6	D578 S585 M586	D578-E582 PolarHBondContact O-N 2.89Å; E582-S585 WeakPolarHBondContact O-CB 3.25Å; E582-S585 PolarHBondContact O-N 2.88Å; E582-S585 PolarHBondContact OE2-OG 2.84Å; E582-M586 WeakPolarHBondContact O-CB 3.1Å; E582-M586 PolarHBondContact O-N 3.41Å
583	L	53	Low	63.2	Low	101 Å²	101	93.7 Å²	93.7	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-42.8	171.5	-106.6	159.3	0	0	0	111.7	M579 G580 M586 D587	M579-L583 WeakPolarHBondContact O-CB 3.06Å; M579-L583 PolarHBondContact O-N 2.8Å; G580-L583 PolarHBondContact O-N 3.02Å; L583-M586 HydrophobicContact CD2-CE 3.69Å; L583-M586 HydrophobicContact CG-CE 4.43Å; L583-M586 PolarHBondContact O-N 3.45Å; L583-D587 PolarHBondContact O-N 3.31Å
584	A	63.5	Low	62.8	Low	64 Å²	64	93 Å²	93	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-34.8	174.3	0	0	0	0	0	112.7	G580 E581 D587 S588	G580-A584 PolarHBondContact O-N 2.98Å; G580-A584 VanDerWaalsContact O-N 3.09Å; E581-A584 PolarHBondContact O-N 3.35Å; A584-D587 PolarHBondContact O-N 2.9Å; A584-S588 PolarHBondContact O-N 3.45Å; A584-S588 VanDerWaalsContact O-N 3.08Å
585	S	66.9	Low	62.4	Low	51 Å²	51	89.4 Å²	89.4	36%	0.357	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-44.2	170.1	173.6	0	0	0	0	111.7	E581 E582 R589	E581-S585 PolarHBondContact O-N 3.47Å; E582-S585 WeakPolarHBondContact O-CB 3.25Å; E582-S585 PolarHBondContact O-N 2.88Å; E582-S585 PolarHBondContact OE2-OG 2.84Å; S585-R589 WeakPolarHBondContact O-CG 3.44Å; S585-R589 PolarHBondContact O-N 3.38Å; S585-R589 VanDerWaalsContact O-N 3.16Å
586	M	56.5	Low	62.5	Low	83 Å²	83	89.7 Å²	89.7	41%	0.409	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-41.2	175.8	-176.6	167.6	61.4	0	0	112.6	E582 L583 S588 R589 I590	E582-M586 WeakPolarHBondContact O-CB 3.1Å; E582-M586 PolarHBondContact O-N 3.41Å; L583-M586 HydrophobicContact CD2-CE 3.69Å; L583-M586 HydrophobicContact CG-CE 4.43Å; L583-M586 PolarHBondContact O-N 3.45Å; M586-S588 PolarHBondContact O-N 2.85Å; M586-R589 WeakPolarHBondContact O-CA 3.48Å; M586-R589 WeakPolarHBondContact O-CB 3.48Å; M586-R589 PolarHBondContact O-N 3.39Å; M586-I590 HydrophobicContact CG-CD1 4.15Å; M586-I590 WeakPolarHBondContact O-CG1 3.38Å; M586-I590 PolarHBondContact O-N 3.39Å
587	D	53.7	Low	62.5	Low	102 Å²	102	88.6 Å²	88.6	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-44.2	178.5	-155.6	46.9	0	0	0	111.4	L583 A584 R589 I590 V591	L583-D587 PolarHBondContact O-N 3.31Å; A584-D587 PolarHBondContact O-N 2.9Å; D587-R589 VanDerWaalsContact C-N 3.27Å; D587-R589 PolarHBondContact O-N 3.34Å; D587-I590 WeakPolarHBondContact O-CB 3.21Å; D587-I590 PolarHBondContact O-N 3.14Å; D587-I590 VanDerWaalsContact O-N 3.1Å; D587-V591 WeakPolarHBondContact O-CG2 3.47Å; D587-V591 PolarHBondContact O-N 2.92Å
588	S	67.1	Low	62	Low	69 Å²	69	84.4 Å²	84.4	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-58.2	-35.8	171	-177.4	0	0	0	0	112.9	A584 M586 N592	A584-S588 PolarHBondContact O-N 3.45Å; A584-S588 VanDerWaalsContact O-N 3.08Å; M586-S588 PolarHBondContact O-N 2.85Å; S588-N592 PolarHBondContact O-N 3.03Å; S588-N592 PolarHBondContact O-ND2 2.92Å
589	R	75.3	Confident	62.1	Low	139 Å²	139	86.3 Å²	86.3	53%	0.525	48%	0.476	S	S	.	.	H	α-helix	trans	-71.1	-37.2	174.9	-70	164.6	61	-170.1	-2.1	112.2	S585 M586 D587 N592 V593	S585-R589 WeakPolarHBondContact O-CG 3.44Å; S585-R589 PolarHBondContact O-N 3.38Å; S585-R589 VanDerWaalsContact O-N 3.16Å; M586-R589 WeakPolarHBondContact O-CA 3.48Å; M586-R589 WeakPolarHBondContact O-CB 3.48Å; M586-R589 PolarHBondContact O-N 3.39Å; D587-R589 VanDerWaalsContact C-N 3.27Å; D587-R589 PolarHBondContact O-N 3.34Å; R589-N592 PolarHBondContact O-N 3.42Å; R589-V593 PolarHBondContact O-N 3.15Å
590	I	59.9	Low	62.2	Low	78 Å²	78	87 Å²	87	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-50.3	175.4	-69	165	0	0	0	110.2	M586 D587 N592 V593 E594	M586-I590 HydrophobicContact CG-CD1 4.15Å; M586-I590 WeakPolarHBondContact O-CG1 3.38Å; M586-I590 PolarHBondContact O-N 3.39Å; D587-I590 WeakPolarHBondContact O-CB 3.21Å; D587-I590 PolarHBondContact O-N 3.14Å; D587-I590 VanDerWaalsContact O-N 3.1Å; I590-N592 PolarHBondContact O-N 2.9Å; I590-V593 WeakPolarHBondContact O-CA 3.26Å; I590-V593 WeakPolarHBondContact O-CB 3.5Å; I590-V593 PolarHBondContact O-N 3.16Å; I590-E594 HydrophobicContact CG2-CG 4.42Å; I590-E594 PolarHBondContact O-N 3.11Å
591	V	67	Low	62	Low	78 Å²	78	89.9 Å²	89.9	47%	0.473	49%	0.488	S	S	.	.	H	α-helix	trans	-56.6	-36.5	176.9	172.5	0	0	0	0	112	D587 E594 A595	D587-V591 WeakPolarHBondContact O-CG2 3.47Å; D587-V591 PolarHBondContact O-N 2.92Å; V591-E594 PolarHBondContact O-N 2.84Å; V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 2.94Å
592	N	67.5	Low	61.4	Low	99 Å²	99	88.3 Å²	88.3	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-68.4	-33.7	174.7	-84	-72.7	0	0	0	113.4	S588 R589 I590 L596	S588-N592 PolarHBondContact O-N 3.03Å; S588-N592 PolarHBondContact O-ND2 2.92Å; R589-N592 PolarHBondContact O-N 3.42Å; I590-N592 PolarHBondContact O-N 2.9Å; N592-L596 WeakPolarHBondContact O-CG 3.21Å; N592-L596 PolarHBondContact O-N 2.87Å
593	V	64.3	Low	61.5	Low	86 Å²	86	87.4 Å²	87.4	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-70.3	-43.8	173.5	172.8	0	0	0	0	110.7	R589 I590 A595 L596 C597	R589-V593 PolarHBondContact O-N 3.15Å; I590-V593 WeakPolarHBondContact O-CA 3.26Å; I590-V593 WeakPolarHBondContact O-CB 3.5Å; I590-V593 PolarHBondContact O-N 3.16Å; V593-A595 VanDerWaalsContact C-N 3.29Å; V593-A595 PolarHBondContact O-N 3.32Å; V593-L596 WeakPolarHBondContact O-CA 3.28Å; V593-L596 WeakPolarHBondContact O-CB 3.35Å; V593-L596 PolarHBondContact O-N 2.78Å; V593-C597 PolarHBondContact O-N 3.08Å; V593-C597 PolarHBondContact O-SG 3.31Å
594	E	57.1	Low	61.6	Low	118 Å²	118	85.7 Å²	85.7	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-38.7	174.7	-65.7	-179.3	151.9	0	0	111.9	I590 V591 L596 C597 S598	I590-E594 HydrophobicContact CG2-CG 4.42Å; I590-E594 PolarHBondContact O-N 3.11Å; V591-E594 PolarHBondContact O-N 2.84Å; E594-L596 PolarHBondContact O-N 3.44Å; E594-C597 PolarHBondContact O-N 3.48Å; E594-S598 WeakPolarHBondContact O-CB 3.38Å; E594-S598 PolarHBondContact O-N 3.09Å; E594-S598 PolarHBondContact O-OG 2.78Å
595	A	63.1	Low	61.5	Low	35 Å²	35	87 Å²	87	29%	0.289	48%	0.478	S	S	.	.	H	α-helix	trans	-71.2	-7.1	172.6	0	0	0	0	0	114.4	V591 V593 S598 K599	V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 2.94Å; V593-A595 VanDerWaalsContact C-N 3.29Å; V593-A595 PolarHBondContact O-N 3.32Å; A595-S598 WeakPolarHBondContact CA-OG 3.47Å; A595-K599 VanDerWaalsContact O-CD 3.25Å; A595-K599 WeakPolarHBondContact O-CD 3.37Å; A595-K599 WeakPolarHBondContact O-CE 3.39Å; A595-K599 WeakPolarHBondContact O-CG 3.47Å; A595-K599 PolarHBondContact O-NZ 3.37Å
596	L	65.7	Low	61	Low	99 Å²	99	87.5 Å²	87.5	52%	0.518	48%	0.482	S	S	.	.	H	α-helix	trans	-97	-43	167.5	-72.4	167.9	0	0	0	110.8	N592 V593 E594 S598 K599	N592-L596 WeakPolarHBondContact O-CG 3.21Å; N592-L596 PolarHBondContact O-N 2.87Å; V593-L596 WeakPolarHBondContact O-CA 3.28Å; V593-L596 WeakPolarHBondContact O-CB 3.35Å; V593-L596 PolarHBondContact O-N 2.78Å; E594-L596 PolarHBondContact O-N 3.44Å; L596-S598 PolarHBondContact O-N 2.92Å; L596-K599 WeakPolarHBondContact O-CB 3.49Å; L596-K599 PolarHBondContact O-N 3.21Å
597	C	55.4	Low	61.1	Low	71 Å²	71	88.9 Å²	88.9	48%	0.48	49%	0.49	S	S	.	.	H	α-helix	trans	-56.9	-47	174.6	-67.5	0	0	0	0	112.1	V593 E594 K599 L600	V593-C597 PolarHBondContact O-N 3.08Å; V593-C597 PolarHBondContact O-SG 3.31Å; E594-C597 PolarHBondContact O-N 3.48Å; C597-K599 PolarHBondContact O-N 3.12Å; C597-K599 VanDerWaalsContact O-N 3.16Å; C597-L600 WeakPolarHBondContact O-CB 3.43Å; C597-L600 PolarHBondContact O-N 3.16Å
598	S	56	Low	61.4	Low	68 Å²	68	88.9 Å²	88.9	48%	0.476	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.3	177.1	51.7	0	0	0	0	114.6	E594 A595 L596	E594-S598 WeakPolarHBondContact O-CB 3.38Å; E594-S598 PolarHBondContact O-N 3.09Å; E594-S598 PolarHBondContact O-OG 2.78Å; A595-S598 WeakPolarHBondContact CA-OG 3.47Å; L596-S598 PolarHBondContact O-N 2.92Å
599	K	67.3	Low	61.2	Low	129 Å²	129	94.9 Å²	94.9	56%	0.561	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.8	168.8	-67.7	171.7	-175.2	129.7	0	113.1	A595 L596 C597 P602	A595-K599 VanDerWaalsContact O-CD 3.25Å; A595-K599 WeakPolarHBondContact O-CD 3.37Å; A595-K599 WeakPolarHBondContact O-CE 3.39Å; A595-K599 WeakPolarHBondContact O-CG 3.47Å; A595-K599 PolarHBondContact O-NZ 3.37Å; L596-K599 WeakPolarHBondContact O-CB 3.49Å; L596-K599 PolarHBondContact O-N 3.21Å; C597-K599 PolarHBondContact O-N 3.12Å; C597-K599 VanDerWaalsContact O-N 3.16Å; K599-P602 WeakPolarHBondContact O-CG 3.25Å
600	L	59	Low	60.7	Low	106 Å²	106	93.5 Å²	93.5	56%	0.555	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-26.9	175.9	-57.6	175.6	0	0	0	112.6	C597 I603 S604	C597-L600 WeakPolarHBondContact O-CB 3.43Å; C597-L600 PolarHBondContact O-N 3.16Å; L600-I603 HydrophobicContact CD2-CD1 4.05Å; L600-I603 WeakPolarHBondContact O-CA 3.3Å; L600-I603 VanDerWaalsContact O-CB 3.26Å; L600-I603 WeakPolarHBondContact O-CB 3.24Å; L600-I603 PolarHBondContact O-N 2.88Å; L600-S604 PolarHBondContact O-N 3.1Å; L600-S604 VanDerWaalsContact O-N 3.1Å
601	D	53.9	Low	61.1	Low	95 Å²	95	97 Å²	97	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-51	-47.7	174.5	-72.3	-42.4	0	0	0	114.8	I603 S604 I605	D601-I603 PolarHBondContact O-N 3.07Å; D601-S604 WeakPolarHBondContact O-CB 3.45Å; D601-S604 PolarHBondContact O-N 2.97Å; D601-S604 VanDerWaalsContact O-N 3.09Å; D601-I605 WeakPolarHBondContact O-CG1 3.31Å; D601-I605 PolarHBondContact O-N 3.25Å
602	P	56.7	Low	61	Low	71 Å²	71	97.8 Å²	97.8	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-22.2	175.4	23.8	-34.6	0	0	0	113.6	K599 S606	K599-P602 WeakPolarHBondContact O-CG 3.25Å; P602-S606 VanDerWaalsContact O-CB 3.31Å; P602-S606 WeakPolarHBondContact O-CB 3.3Å; P602-S606 PolarHBondContact O-N 3.07Å; P602-S606 PolarHBondContact O-OG 2.86Å
603	I	62.1	Low	60.8	Low	94 Å²	94	94.3 Å²	94.3	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-73.9	-44.6	172.7	-51.7	179.3	0	0	0	109.7	L600 D601 I605 S606 L607	L600-I603 HydrophobicContact CD2-CD1 4.05Å; L600-I603 WeakPolarHBondContact O-CA 3.3Å; L600-I603 VanDerWaalsContact O-CB 3.26Å; L600-I603 WeakPolarHBondContact O-CB 3.24Å; L600-I603 PolarHBondContact O-N 2.88Å; D601-I603 PolarHBondContact O-N 3.07Å; I603-I605 PolarHBondContact O-N 2.9Å; I603-S606 WeakPolarHBondContact O-CB 3.41Å; I603-S606 PolarHBondContact O-N 3.24Å; I603-S606 VanDerWaalsContact O-N 3.12Å; I603-L607 HydrophobicContact CG2-CD1 4.45Å; I603-L607 WeakPolarHBondContact O-CG 3.5Å; I603-L607 PolarHBondContact O-N 3.14Å
604	S	54.9	Low	60.9	Low	65 Å²	65	95.5 Å²	95.5	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-57.2	-47.4	173.2	-175.1	0	0	0	0	111.9	L600 D601 S606 L607 L608	L600-S604 PolarHBondContact O-N 3.1Å; L600-S604 VanDerWaalsContact O-N 3.1Å; D601-S604 WeakPolarHBondContact O-CB 3.45Å; D601-S604 PolarHBondContact O-N 2.97Å; D601-S604 VanDerWaalsContact O-N 3.09Å; S604-S606 VanDerWaalsContact C-N 3.29Å; S604-S606 PolarHBondContact O-N 3.21Å; S604-L607 PolarHBondContact O-N 3.49Å; S604-L608 PolarHBondContact O-N 3.48Å
605	I	61.6	Low	61	Low	91 Å²	91	94.2 Å²	94.2	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-36.8	175.5	-65.4	166	0	0	0	111.5	D601 I603 L608 R609	D601-I605 WeakPolarHBondContact O-CG1 3.31Å; D601-I605 PolarHBondContact O-N 3.25Å; I603-I605 PolarHBondContact O-N 2.9Å; I605-L608 PolarHBondContact O-N 2.99Å; I605-R609 WeakPolarHBondContact O-CG 3.36Å; I605-R609 PolarHBondContact O-N 2.96Å
606	S	57.6	Low	61.7	Low	62 Å²	62	100.9 Å²	100.9	43%	0.434	52%	0.52	S	S	.	.	H	α-helix	trans	-68.5	-40.9	176.7	-63.4	0	0	0	0	112.3	P602 I603 S604 R609 I610	P602-S606 VanDerWaalsContact O-CB 3.31Å; P602-S606 WeakPolarHBondContact O-CB 3.3Å; P602-S606 PolarHBondContact O-N 3.07Å; P602-S606 PolarHBondContact O-OG 2.86Å; I603-S606 WeakPolarHBondContact O-CB 3.41Å; I603-S606 PolarHBondContact O-N 3.24Å; I603-S606 VanDerWaalsContact O-N 3.12Å; S604-S606 VanDerWaalsContact C-N 3.29Å; S604-S606 PolarHBondContact O-N 3.21Å; S606-R609 PolarHBondContact O-N 3.49Å; S606-I610 WeakPolarHBondContact O-CG1 3.46Å; S606-I610 PolarHBondContact O-N 3.07Å
607	L	57.1	Low	61.9	Low	111 Å²	111	103.4 Å²	103.4	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-64.3	-40.2	174.4	-69	170.7	0	0	0	111.7	I603 S604 I610 K611	I603-L607 HydrophobicContact CG2-CD1 4.45Å; I603-L607 WeakPolarHBondContact O-CG 3.5Å; I603-L607 PolarHBondContact O-N 3.14Å; S604-L607 PolarHBondContact O-N 3.49Å; L607-I610 PolarHBondContact O-N 3.15Å; L607-K611 WeakPolarHBondContact O-CB 3.33Å; L607-K611 PolarHBondContact O-N 3.43Å
608	L	60.8	Low	62.9	Low	103 Å²	103	103.9 Å²	103.9	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-42.5	172.5	-81.3	163.2	0	0	0	112.4	S604 I605 K611 E612	S604-L608 PolarHBondContact O-N 3.48Å; I605-L608 PolarHBondContact O-N 2.99Å; L608-K611 PolarHBondContact O-N 3.35Å; L608-E612 PolarHBondContact O-N 2.89Å
609	R	63.2	Low	63.8	Low	194 Å²	194	105 Å²	105	73%	0.732	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-38.6	174.5	-76.5	178.8	174.2	-172.8	-0.2	112.8	I605 S606 G613	I605-R609 WeakPolarHBondContact O-CG 3.36Å; I605-R609 PolarHBondContact O-N 2.96Å; S606-R609 PolarHBondContact O-N 3.49Å; R609-G613 PolarHBondContact O-N 2.95Å
610	I	65.5	Low	64.2	Low	110 Å²	110	100.6 Å²	100.6	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-46.2	175.2	-69.2	163.6	0	0	0	110.3	S606 L607 E612 G613 L614	S606-I610 WeakPolarHBondContact O-CG1 3.46Å; S606-I610 PolarHBondContact O-N 3.07Å; L607-I610 PolarHBondContact O-N 3.15Å; I610-E612 PolarHBondContact O-N 3.44Å; I610-G613 PolarHBondContact O-N 3.46Å; I610-L614 PolarHBondContact O-N 2.91Å
611	K	68.2	Low	65.2	Low	153 Å²	153	101.2 Å²	101.2	67%	0.665	52%	0.524	S	S	*	.	H	α-helix	trans	-56.6	-50.2	176.1	178.6	-178.7	176	-179.1	0	112.1	L607 L608 L614 N615	L607-K611 WeakPolarHBondContact O-CB 3.33Å; L607-K611 PolarHBondContact O-N 3.43Å; L608-K611 PolarHBondContact O-N 3.35Å; K611-L614 PolarHBondContact O-N 3.07Å; K611-N615 WeakPolarHBondContact O-CB 3.41Å; K611-N615 PolarHBondContact O-N 3.29Å
612	E	63.8	Low	66.3	Low	93 Å²	93	104.6 Å²	104.6	44%	0.435	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-38.4	179.4	173.8	56	-162.7	0	0	112.3	L608 I610 N615 R616	L608-E612 PolarHBondContact O-N 2.89Å; I610-E612 PolarHBondContact O-N 3.44Å; E612-N615 PolarHBondContact O-N 2.83Å; E612-R616 WeakPolarHBondContact O-CG 3.48Å; E612-R616 PolarHBondContact O-N 3.16Å; E612-R616 IonicContact OE1-CZ 3.19Å; E612-R616 IonicContact OE1-NE 2.75Å; E612-R616 PolarHBondContact OE1-NE 3.07Å; E612-R616 IonicContact OE1-NH2 3.93Å
613	G	63.6	Low	67.2	Low	26 Å²	26	104.7 Å²	104.7	27%	0.268	53%	0.532	S	S	.	.	H	α-helix	trans	-59.3	-47.8	172.4	0	0	0	0	0	112.3	R609 I610 N615 R616 H617	R609-G613 PolarHBondContact O-N 2.95Å; I610-G613 PolarHBondContact O-N 3.46Å; G613-N615 VanDerWaalsContact C-N 3.33Å; G613-N615 PolarHBondContact O-N 2.99Å; G613-R616 PolarHBondContact O-N 3.19Å; G613-H617 PolarHBondContact O-CD2 2.69Å; G613-H617 PolarHBondContact O-N 3.19Å; G613-H617 VanDerWaalsContact O-N 3.09Å
614	L	66	Low	67.8	Low	112 Å²	112	103.9 Å²	103.9	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-59.3	-45.2	176.3	-138.1	83.4	0	0	0	111.4	I610 K611 R616 H617 I618	I610-L614 PolarHBondContact O-N 2.91Å; K611-L614 PolarHBondContact O-N 3.07Å; L614-R616 PolarHBondContact O-N 3.47Å; L614-H617 PolarHBondContact O-N 2.92Å; L614-I618 WeakPolarHBondContact O-CG1 3.38Å; L614-I618 PolarHBondContact O-N 2.97Å
615	N	60.1	Low	69	Low	90 Å²	90	104.2 Å²	104.2	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-44.6	-179.1	-155	29.1	0	0	0	111.2	K611 E612 G613 H617 I618 T619	K611-N615 WeakPolarHBondContact O-CB 3.41Å; K611-N615 PolarHBondContact O-N 3.29Å; E612-N615 PolarHBondContact O-N 2.83Å; G613-N615 VanDerWaalsContact C-N 3.33Å; G613-N615 PolarHBondContact O-N 2.99Å; N615-H617 PolarHBondContact O-N 3.22Å; N615-I618 PolarHBondContact O-N 3.01Å; N615-T619 PolarHBondContact O-N 3.3Å; N615-T619 PolarHBondContact O-OG1 2.93Å; N615-T619 VanDerWaalsContact O-OG1 3.08Å
616	R	77.4	Confident	69.5	Low	176 Å²	176	104.8 Å²	104.8	66%	0.664	54%	0.537	S	S	*	.	H	α-helix	trans	-60.4	-41.2	173.6	-74.1	175.4	171.6	-137.4	-7	113.4	E612 G613 L614 I618 T619 G620	E612-R616 WeakPolarHBondContact O-CG 3.48Å; E612-R616 PolarHBondContact O-N 3.16Å; E612-R616 IonicContact OE1-CZ 3.19Å; E612-R616 IonicContact OE1-NE 2.75Å; E612-R616 PolarHBondContact OE1-NE 3.07Å; E612-R616 IonicContact OE1-NH2 3.93Å; G613-R616 PolarHBondContact O-N 3.19Å; L614-R616 PolarHBondContact O-N 3.47Å; R616-I618 VanDerWaalsContact C-N 3.33Å; R616-T619 PolarHBondContact O-N 3.24Å; R616-G620 PolarHBondContact O-N 3.34Å
617	H	69.6	Low	70.7	Confident	152 Å²	152	108.5 Å²	108.5	70%	0.704	55%	0.547	S	S	*	.	H	α-helix	trans	-64.7	-38.3	175.4	-78.2	-67.3	0	0	0	111.9	G613 L614 N615 G620 L621	G613-H617 PolarHBondContact O-CD2 2.69Å; G613-H617 PolarHBondContact O-N 3.19Å; G613-H617 VanDerWaalsContact O-N 3.09Å; L614-H617 PolarHBondContact O-N 2.92Å; N615-H617 PolarHBondContact O-N 3.22Å; H617-G620 PolarHBondContact O-N 3.48Å; H617-L621 WeakPolarHBondContact O-CB 3.48Å; H617-L621 PolarHBondContact O-N 2.9Å
618	I	77.3	Confident	71.9	Confident	81 Å²	81	108.9 Å²	108.9	42%	0.415	55%	0.55	S	S	.	.	H	α-helix	trans	-65.3	-47.2	174.9	-67.6	163.8	0	0	0	110.8	L614 N615 R616 G620 L621 W622	L614-I618 WeakPolarHBondContact O-CG1 3.38Å; L614-I618 PolarHBondContact O-N 2.97Å; N615-I618 PolarHBondContact O-N 3.01Å; R616-I618 VanDerWaalsContact C-N 3.33Å; I618-G620 VanDerWaalsContact C-N 3.33Å; I618-G620 PolarHBondContact O-N 3.29Å; I618-L621 WeakPolarHBondContact O-CB 3.45Å; I618-L621 PolarHBondContact O-N 2.77Å; I618-W622 VanDerWaalsContact O-CD1 3.27Å; I618-W622 PolarHBondContact O-N 2.95Å
619	T	73.9	Confident	72.8	Confident	90 Å²	90	108.9 Å²	108.9	55%	0.552	55%	0.55	S	S	*	*	H	α-helix	trans	-61.3	-40.2	176.1	-49	0	0	0	0	112.1	N615 R616 W622 S623	N615-T619 PolarHBondContact O-N 3.3Å; N615-T619 PolarHBondContact O-OG1 2.93Å; N615-T619 VanDerWaalsContact O-OG1 3.08Å; R616-T619 PolarHBondContact O-N 3.24Å; T619-W622 PolarHBondContact O-N 3.32Å; T619-S623 PolarHBondContact O-N 3Å
620	G	76.5	Confident	73.9	Confident	37 Å²	37	101.1 Å²	101.1	38%	0.381	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-41.2	174.6	0	0	0	0	0	112.7	R616 H617 I618 S623 C624	R616-G620 PolarHBondContact O-N 3.34Å; H617-G620 PolarHBondContact O-N 3.48Å; I618-G620 VanDerWaalsContact C-N 3.33Å; I618-G620 PolarHBondContact O-N 3.29Å; G620-S623 PolarHBondContact O-N 2.75Å; G620-C624 PolarHBondContact O-N 3.39Å; G620-C624 VanDerWaalsContact O-N 3.12Å; G620-C624 PolarHBondContact O-SG 3.15Å; G620-C624 VanDerWaalsContact O-SG 3.39Å
621	L	79.4	Confident	74.9	Confident	120 Å²	120	98.9 Å²	98.9	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-44.3	176.2	-172.1	68.1	0	0	0	111.8	H617 I618 C624 V625	H617-L621 WeakPolarHBondContact O-CB 3.48Å; H617-L621 PolarHBondContact O-N 2.9Å; I618-L621 WeakPolarHBondContact O-CB 3.45Å; I618-L621 PolarHBondContact O-N 2.77Å; L621-C624 WeakPolarHBondContact O-CB 3.45Å; L621-C624 PolarHBondContact O-N 2.78Å; L621-V625 WeakPolarHBondContact O-CG2 3.28Å; L621-V625 PolarHBondContact O-N 3.06Å
622	W	76.5	Confident	75.7	Confident	165 Å²	165	95.9 Å²	95.9	63%	0.625	52%	0.516	S	S	*	.	H	α-helix	trans	-60.1	-45.1	174.4	-82	106.9	0	0	0	112.3	I618 T619 C624 V625 D626	I618-W622 VanDerWaalsContact O-CD1 3.27Å; I618-W622 PolarHBondContact O-N 2.95Å; T619-W622 PolarHBondContact O-N 3.32Å; W622-C624 PolarHBondContact O-N 3.37Å; W622-V625 WeakPolarHBondContact O-CA 3.35Å; W622-V625 WeakPolarHBondContact O-CB 3.44Å; W622-V625 PolarHBondContact O-N 2.97Å; W622-D626 PolarHBondContact O-N 3.46Å
623	S	77.1	Confident	76.5	Confident	74 Å²	74	97.2 Å²	97.2	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-32.6	176.2	-172.9	0	0	0	0	113.1	T619 G620 Q627	T619-S623 PolarHBondContact O-N 3Å; G620-S623 PolarHBondContact O-N 2.75Å; S623-Q627 WeakPolarHBondContact O-CB 3.31Å; S623-Q627 PolarHBondContact O-N 3.32Å; S623-Q627 VanDerWaalsContact O-N 3.09Å
624	C	73.1	Confident	77.7	Confident	77 Å²	77	99.4 Å²	99.4	52%	0.52	53%	0.531	S	S	.	.	H	α-helix	trans	-71	-36.5	173.1	-69.9	0	0	0	0	112.3	G620 L621 W622 L628	G620-C624 PolarHBondContact O-N 3.39Å; G620-C624 VanDerWaalsContact O-N 3.12Å; G620-C624 PolarHBondContact O-SG 3.15Å; G620-C624 VanDerWaalsContact O-SG 3.39Å; L621-C624 WeakPolarHBondContact O-CB 3.45Å; L621-C624 PolarHBondContact O-N 2.78Å; W622-C624 PolarHBondContact O-N 3.37Å; C624-L628 WeakPolarHBondContact O-CB 3.21Å; C624-L628 PolarHBondContact O-N 3.27Å
625	V	80.9	Confident	78.6	Confident	72 Å²	72	99.4 Å²	99.4	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-66.2	-44.3	174.9	172	0	0	0	0	110.9	L621 W622 Q627 L628 N629	L621-V625 WeakPolarHBondContact O-CG2 3.28Å; L621-V625 PolarHBondContact O-N 3.06Å; W622-V625 WeakPolarHBondContact O-CA 3.35Å; W622-V625 WeakPolarHBondContact O-CB 3.44Å; W622-V625 PolarHBondContact O-N 2.97Å; V625-Q627 PolarHBondContact O-N 2.8Å; V625-L628 WeakPolarHBondContact O-CB 3.5Å; V625-L628 PolarHBondContact O-N 2.83Å; V625-N629 WeakPolarHBondContact O-CB 3.46Å; V625-N629 PolarHBondContact O-N 3.38Å
626	D	72.4	Confident	79.6	Confident	102 Å²	102	97.8 Å²	97.8	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-40.8	176.3	-69.8	-34	0	0	0	112	W622 N629 G630	W622-D626 PolarHBondContact O-N 3.46Å; D626-N629 WeakPolarHBondContact O-CB 3.46Å; D626-N629 PolarHBondContact O-N 2.96Å; D626-G630 PolarHBondContact O-N 2.75Å
627	Q	82.3	Confident	80	Confident	140 Å²	140	95.2 Å²	95.2	65%	0.654	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-37.8	175.4	-170.6	173.5	18.7	0	0	112.3	S623 V625 T631	S623-Q627 WeakPolarHBondContact O-CB 3.31Å; S623-Q627 PolarHBondContact O-N 3.32Å; S623-Q627 VanDerWaalsContact O-N 3.09Å; V625-Q627 PolarHBondContact O-N 2.8Å; Q627-T631 WeakPolarHBondContact O-CB 3.31Å; Q627-T631 PolarHBondContact O-N 2.82Å; Q627-T631 PolarHBondContact O-OG1 2.88Å
628	L	82.1	Confident	80.8	Confident	120 Å²	120	92.5 Å²	92.5	63%	0.628	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-44.9	173.2	-165.5	81.6	0	0	0	110.8	C624 V625 T631 V632	C624-L628 WeakPolarHBondContact O-CB 3.21Å; C624-L628 PolarHBondContact O-N 3.27Å; V625-L628 WeakPolarHBondContact O-CB 3.5Å; V625-L628 PolarHBondContact O-N 2.83Å; L628-T631 WeakPolarHBondContact O-CB 3.46Å; L628-T631 PolarHBondContact O-N 2.93Å; L628-T631 VanDerWaalsContact O-N 3.15Å; L628-V632 WeakPolarHBondContact O-CG2 3.34Å; L628-V632 PolarHBondContact O-N 3.49Å
629	N	79.8	Confident	81.1	Confident	103 Å²	103	94 Å²	94	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-47.8	178.7	-170.2	22.2	0	0	0	111.6	V625 D626 T631 V632 Q633	V625-N629 WeakPolarHBondContact O-CB 3.46Å; V625-N629 PolarHBondContact O-N 3.38Å; D626-N629 WeakPolarHBondContact O-CB 3.46Å; D626-N629 PolarHBondContact O-N 2.96Å; N629-T631 VanDerWaalsContact C-N 3.3Å; N629-T631 PolarHBondContact O-N 3.11Å; N629-V632 PolarHBondContact O-N 3.4Å; N629-Q633 WeakPolarHBondContact O-CB 3.23Å; N629-Q633 PolarHBondContact O-N 3.25Å
630	G	85.8	Confident	81.5	Confident	31 Å²	31	94.9 Å²	94.9	32%	0.32	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-34.6	174.1	0	0	0	0	0	113.6	D626 Q633 T634	D626-G630 PolarHBondContact O-N 2.75Å; G630-Q633 PolarHBondContact O-N 2.89Å; G630-T634 PolarHBondContact O-N 2.91Å; G630-T634 PolarHBondContact O-OG1 3.35Å
631	T	86.9	Confident	81.8	Confident	63 Å²	63	94.8 Å²	94.8	39%	0.387	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-44.5	175.5	-53.6	0	0	0	0	111.2	Q627 L628 N629 Q633 T634 H635	Q627-T631 WeakPolarHBondContact O-CB 3.31Å; Q627-T631 PolarHBondContact O-N 2.82Å; Q627-T631 PolarHBondContact O-OG1 2.88Å; L628-T631 WeakPolarHBondContact O-CB 3.46Å; L628-T631 PolarHBondContact O-N 2.93Å; L628-T631 VanDerWaalsContact O-N 3.15Å; N629-T631 VanDerWaalsContact C-N 3.3Å; N629-T631 PolarHBondContact O-N 3.11Å; T631-Q633 VanDerWaalsContact C-N 3.35Å; T631-Q633 PolarHBondContact O-N 3.32Å; T631-T634 PolarHBondContact O-N 3.12Å; T631-H635 PolarHBondContact O-N 2.95Å
632	V	84.9	Confident	82.1	Confident	89 Å²	89	93.9 Å²	93.9	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-41.8	174.8	170.7	0	0	0	0	111.2	L628 N629 T634 H635 A636	L628-V632 WeakPolarHBondContact O-CG2 3.34Å; L628-V632 PolarHBondContact O-N 3.49Å; N629-V632 PolarHBondContact O-N 3.4Å; V632-T634 VanDerWaalsContact C-N 3.34Å; V632-T634 PolarHBondContact O-N 3.48Å; V632-H635 PolarHBondContact O-N 3.4Å; V632-A636 WeakPolarHBondContact O-CB 3.17Å; V632-A636 PolarHBondContact O-N 3.35Å
633	Q	81	Confident	82.4	Confident	122 Å²	122	92.2 Å²	92.2	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-63.8	-38	176.2	-167.1	175	24	0	0	112.3	N629 G630 T631 A636 Q637	N629-Q633 WeakPolarHBondContact O-CB 3.23Å; N629-Q633 PolarHBondContact O-N 3.25Å; G630-Q633 PolarHBondContact O-N 2.89Å; T631-Q633 VanDerWaalsContact C-N 3.35Å; T631-Q633 PolarHBondContact O-N 3.32Å; Q633-A636 PolarHBondContact O-N 2.91Å; Q633-Q637 WeakPolarHBondContact O-CG 3.29Å; Q633-Q637 PolarHBondContact O-N 2.95Å
634	T	87.9	Confident	82.8	Confident	72 Å²	72	90.1 Å²	90.1	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-50.5	173.9	-50.8	0	0	0	0	110.9	G630 T631 V632 A636 Q637 D638	G630-T634 PolarHBondContact O-N 2.91Å; G630-T634 PolarHBondContact O-OG1 3.35Å; T631-T634 PolarHBondContact O-N 3.12Å; V632-T634 VanDerWaalsContact C-N 3.34Å; V632-T634 PolarHBondContact O-N 3.48Å; T634-A636 VanDerWaalsContact C-N 3.25Å; T634-A636 PolarHBondContact O-N 2.85Å; T634-Q637 WeakPolarHBondContact O-CB 3.42Å; T634-Q637 PolarHBondContact O-N 2.98Å; T634-D638 PolarHBondContact O-N 3.12Å
635	H	86.1	Confident	83.4	Confident	112 Å²	112	92.8 Å²	92.8	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-59.6	-34.8	177.9	-69.8	-179.1	0	0	0	112.7	T631 V632 D638 I639	T631-H635 PolarHBondContact O-N 2.95Å; V632-H635 PolarHBondContact O-N 3.4Å; H635-D638 PolarHBondContact O-N 3.38Å; H635-I639 WeakPolarHBondContact O-CB 3.44Å; H635-I639 WeakPolarHBondContact O-CD1 3.44Å; H635-I639 WeakPolarHBondContact O-CG1 3.45Å; H635-I639 PolarHBondContact O-N 2.93Å
636	A	80.9	Confident	83.3	Confident	55 Å²	55	93.2 Å²	93.2	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-38.7	174.3	0	0	0	0	0	112.5	V632 Q633 T634 E640	V632-A636 WeakPolarHBondContact O-CB 3.17Å; V632-A636 PolarHBondContact O-N 3.35Å; Q633-A636 PolarHBondContact O-N 2.91Å; T634-A636 VanDerWaalsContact C-N 3.25Å; T634-A636 PolarHBondContact O-N 2.85Å; A636-E640 PolarHBondContact O-N 2.93Å
637	Q	85.5	Confident	83.6	Confident	123 Å²	123	93.4 Å²	93.4	58%	0.575	50%	0.504	S	S	*	.	H	α-helix	trans	-68.2	-40.7	174.6	-69	173.7	1.5	0	0	111.9	Q633 T634 E640 G641	Q633-Q637 WeakPolarHBondContact O-CG 3.29Å; Q633-Q637 PolarHBondContact O-N 2.95Å; T634-Q637 WeakPolarHBondContact O-CB 3.42Å; T634-Q637 PolarHBondContact O-N 2.98Å; Q637-E640 PolarHBondContact O-N 3.48Å; Q637-G641 PolarHBondContact O-N 2.9Å
638	D	85.6	Confident	83.8	Confident	94 Å²	94	90.4 Å²	90.4	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-41.2	175.7	-70.5	-38.9	0	0	0	112	T634 H635 E640 G641 L642	T634-D638 PolarHBondContact O-N 3.12Å; H635-D638 PolarHBondContact O-N 3.38Å; D638-E640 VanDerWaalsContact C-N 3.34Å; D638-E640 PolarHBondContact O-N 3.24Å; D638-G641 PolarHBondContact O-N 2.9Å; D638-L642 WeakPolarHBondContact O-CB 3.48Å; D638-L642 WeakPolarHBondContact O-CG 3.43Å; D638-L642 PolarHBondContact O-N 2.92Å
639	I	85.5	Confident	83.9	Confident	114 Å²	114	89.6 Å²	89.6	59%	0.585	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-39.6	174.6	-70.7	164.6	0	0	0	111	H635 R643	H635-I639 WeakPolarHBondContact O-CB 3.44Å; H635-I639 WeakPolarHBondContact O-CD1 3.44Å; H635-I639 WeakPolarHBondContact O-CG1 3.45Å; H635-I639 PolarHBondContact O-N 2.93Å; I639-R643 WeakPolarHBondContact O-CB 3.27Å; I639-R643 PolarHBondContact O-N 2.96Å
640	E	80.8	Confident	83.8	Confident	107 Å²	107	90.7 Å²	90.7	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-40.1	174.1	178.6	143.9	-101.7	0	0	112.4	A636 Q637 D638 R643 G644	A636-E640 PolarHBondContact O-N 2.93Å; Q637-E640 PolarHBondContact O-N 3.48Å; D638-E640 VanDerWaalsContact C-N 3.34Å; D638-E640 PolarHBondContact O-N 3.24Å; E640-R643 WeakPolarHBondContact O-CB 3.39Å; E640-R643 PolarHBondContact O-N 3.46Å; E640-R643 IonicContact OE1-CZ 2.7Å; E640-R643 IonicContact OE1-NH1 2.9Å; E640-R643 PolarHBondContact OE1-NH1 2.99Å; E640-R643 IonicContact OE1-NH2 3.26Å; E640-R643 PolarHBondContact OE1-NH2 2.64Å; E640-G644 PolarHBondContact O-N 3Å
641	G	83.7	Confident	83.7	Confident	36 Å²	36	93.7 Å²	93.7	37%	0.371	50%	0.502	S	S	.	.	H	α-helix	trans	-60.3	-46.9	172.7	0	0	0	0	0	112.5	Q637 D638 R643 G644 Q645	Q637-G641 PolarHBondContact O-N 2.9Å; D638-G641 PolarHBondContact O-N 2.9Å; G641-R643 PolarHBondContact O-N 2.94Å; G641-G644 PolarHBondContact O-N 3.24Å; G641-Q645 WeakPolarHBondContact O-CG 3.5Å; G641-Q645 PolarHBondContact O-N 2.97Å
642	L	85.3	Confident	83.5	Confident	101 Å²	101	95.8 Å²	95.8	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-42.1	174.1	-76.1	164.7	0	0	0	111.8	D638 G644 Q645 C646	D638-L642 WeakPolarHBondContact O-CB 3.48Å; D638-L642 WeakPolarHBondContact O-CG 3.43Å; D638-L642 PolarHBondContact O-N 2.92Å; L642-G644 VanDerWaalsContact C-N 3.32Å; L642-G644 PolarHBondContact O-N 3.37Å; L642-Q645 PolarHBondContact O-N 3.47Å; L642-C646 PolarHBondContact O-N 3.23Å; L642-C646 PolarHBondContact O-SG 3.16Å; L642-C646 VanDerWaalsContact O-SG 3.4Å
643	R	83.4	Confident	83.3	Confident	130 Å²	130	96.4 Å²	96.4	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-58	-43.5	174.9	-165.1	-174.3	76.4	-124.8	-0.2	111.7	I639 E640 G641 C646 Q647	I639-R643 WeakPolarHBondContact O-CB 3.27Å; I639-R643 PolarHBondContact O-N 2.96Å; E640-R643 WeakPolarHBondContact O-CB 3.39Å; E640-R643 PolarHBondContact O-N 3.46Å; E640-R643 IonicContact OE1-CZ 2.7Å; E640-R643 IonicContact OE1-NH1 2.9Å; E640-R643 PolarHBondContact OE1-NH1 2.99Å; E640-R643 IonicContact OE1-NH2 3.26Å; E640-R643 PolarHBondContact OE1-NH2 2.64Å; G641-R643 PolarHBondContact O-N 2.94Å; R643-C646 PolarHBondContact O-N 3.47Å; R643-Q647 PolarHBondContact O-N 2.89Å
644	G	84.5	Confident	83.2	Confident	30 Å²	30	94.8 Å²	94.8	31%	0.309	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-37.3	175.9	0	0	0	0	0	114	E640 G641 L642 T648	E640-G644 PolarHBondContact O-N 3Å; G641-G644 PolarHBondContact O-N 3.24Å; L642-G644 VanDerWaalsContact C-N 3.32Å; L642-G644 PolarHBondContact O-N 3.37Å; G644-T648 WeakPolarHBondContact O-CB 3.23Å; G644-T648 PolarHBondContact O-N 3.49Å; G644-T648 PolarHBondContact O-OG1 2.94Å
645	Q	86.9	Confident	82.7	Confident	133 Å²	133	95.2 Å²	95.2	62%	0.621	50%	0.501	S	S	*	.	H	α-helix	trans	-65.7	-45.6	173.1	-69.7	178.3	20.5	0	0	111.4	G641 L642 Q647 T648 L649	G641-Q645 WeakPolarHBondContact O-CG 3.5Å; G641-Q645 PolarHBondContact O-N 2.97Å; L642-Q645 PolarHBondContact O-N 3.47Å; Q645-Q647 PolarHBondContact O-N 3.26Å; Q645-T648 WeakPolarHBondContact O-CB 3.31Å; Q645-T648 PolarHBondContact O-N 3.27Å; Q645-T648 VanDerWaalsContact O-N 3.1Å; Q645-L649 PolarHBondContact O-N 2.76Å
646	C	77.7	Confident	82.2	Confident	81 Å²	81	95 Å²	95	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-59.1	-43.3	175.3	-73	0	0	0	0	112.4	L642 R643 T648 L649 Q650	L642-C646 PolarHBondContact O-N 3.23Å; L642-C646 PolarHBondContact O-SG 3.16Å; L642-C646 VanDerWaalsContact O-SG 3.4Å; R643-C646 PolarHBondContact O-N 3.47Å; C646-T648 VanDerWaalsContact C-N 3.31Å; C646-T648 PolarHBondContact O-N 2.88Å; C646-L649 PolarHBondContact O-N 2.91Å; C646-Q650 VanDerWaalsContact O-CB 3.29Å; C646-Q650 WeakPolarHBondContact O-CB 3.28Å; C646-Q650 PolarHBondContact O-N 3.21Å
647	Q	79.7	Confident	81.7	Confident	105 Å²	105	95.1 Å²	95.1	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-33.9	174.7	-76.9	-178.6	-43.3	0	0	112.6	R643 Q645 N651	R643-Q647 PolarHBondContact O-N 2.89Å; Q645-Q647 PolarHBondContact O-N 3.26Å; Q647-N651 WeakPolarHBondContact O-CB 3.5Å; Q647-N651 PolarHBondContact O-N 3.1Å; Q647-N651 PolarHBondContact O-ND2 3.39Å
648	T	85	Confident	81	Confident	78 Å²	78	94.9 Å²	94.9	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-45.6	176	-61.9	0	0	0	0	111	G644 Q645 C646 N651 Q652	G644-T648 WeakPolarHBondContact O-CB 3.23Å; G644-T648 PolarHBondContact O-N 3.49Å; G644-T648 PolarHBondContact O-OG1 2.94Å; Q645-T648 WeakPolarHBondContact O-CB 3.31Å; Q645-T648 PolarHBondContact O-N 3.27Å; Q645-T648 VanDerWaalsContact O-N 3.1Å; C646-T648 VanDerWaalsContact C-N 3.31Å; C646-T648 PolarHBondContact O-N 2.88Å; T648-N651 PolarHBondContact O-N 3.47Å; T648-Q652 WeakPolarHBondContact O-CG 3.47Å; T648-Q652 PolarHBondContact O-N 3.31Å
649	L	84.8	Confident	80.1	Confident	102 Å²	102	95 Å²	95	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-43.1	174.5	-174.4	68.3	0	0	0	111.5	Q645 C646 N651 Q652 I653	Q645-L649 PolarHBondContact O-N 2.76Å; C646-L649 PolarHBondContact O-N 2.91Å; L649-N651 VanDerWaalsContact C-N 3.34Å; L649-N651 PolarHBondContact O-N 3.08Å; L649-Q652 WeakPolarHBondContact O-CB 3.41Å; L649-Q652 PolarHBondContact O-N 3.38Å; L649-I653 HydrophobicContact CG-CD1 4.17Å; L649-I653 WeakPolarHBondContact O-CG1 3.45Å; L649-I653 PolarHBondContact O-N 2.98Å
650	Q	77.9	Confident	78.9	Confident	127 Å²	127	94.3 Å²	94.3	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-61.5	-41.5	177.2	-166.3	173.1	36.2	0	0	111.6	C646 I653 L654	C646-Q650 VanDerWaalsContact O-CB 3.29Å; C646-Q650 WeakPolarHBondContact O-CB 3.28Å; C646-Q650 PolarHBondContact O-N 3.21Å; Q650-I653 PolarHBondContact O-N 3.36Å; Q650-L654 WeakPolarHBondContact O-CB 3.44Å; Q650-L654 PolarHBondContact O-N 3.27Å
651	N	83.8	Confident	77.7	Confident	93 Å²	93	92.6 Å²	92.6	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-36.6	173.9	-78.7	-48.2	0	0	0	113.1	Q647 T648 L649 L654 N655	Q647-N651 WeakPolarHBondContact O-CB 3.5Å; Q647-N651 PolarHBondContact O-N 3.1Å; Q647-N651 PolarHBondContact O-ND2 3.39Å; T648-N651 PolarHBondContact O-N 3.47Å; L649-N651 VanDerWaalsContact C-N 3.34Å; L649-N651 PolarHBondContact O-N 3.08Å; N651-L654 PolarHBondContact O-N 3.41Å; N651-N655 PolarHBondContact O-N 2.92Å; N651-N655 PolarHBondContact O-ND2 2.96Å
652	Q	82.6	Confident	76.3	Confident	107 Å²	107	96.2 Å²	96.2	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-46.6	173.8	-73	172.8	-3.9	0	0	111.3	T648 L649 L654 N655 I656	T648-Q652 WeakPolarHBondContact O-CG 3.47Å; T648-Q652 PolarHBondContact O-N 3.31Å; L649-Q652 WeakPolarHBondContact O-CB 3.41Å; L649-Q652 PolarHBondContact O-N 3.38Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 2.84Å; Q652-N655 PolarHBondContact O-N 2.91Å; Q652-N655 VanDerWaalsContact O-N 3.15Å; Q652-I656 WeakPolarHBondContact O-CG1 3.24Å; Q652-I656 PolarHBondContact O-N 3.49Å
653	I	81.5	Confident	74.7	Confident	102 Å²	102	98.3 Å²	98.3	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-43.5	174.6	-66.1	163.8	0	0	0	110.7	L649 Q650 N655 I656 A657	L649-I653 HydrophobicContact CG-CD1 4.17Å; L649-I653 WeakPolarHBondContact O-CG1 3.45Å; L649-I653 PolarHBondContact O-N 2.98Å; Q650-I653 PolarHBondContact O-N 3.36Å; I653-N655 VanDerWaalsContact C-N 3.27Å; I653-N655 PolarHBondContact O-N 3.22Å; I653-I656 PolarHBondContact O-N 2.97Å; I653-A657 WeakPolarHBondContact O-CB 3.34Å; I653-A657 PolarHBondContact O-N 3.12Å
654	L	78.9	Confident	73.1	Confident	89 Å²	89	96.2 Å²	96.2	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-25.5	178.5	-126	163.5	0	0	0	113.3	Q650 N651 Q652 K658	Q650-L654 WeakPolarHBondContact O-CB 3.44Å; Q650-L654 PolarHBondContact O-N 3.27Å; N651-L654 PolarHBondContact O-N 3.41Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 2.84Å; L654-K658 WeakPolarHBondContact O-CD 3.32Å; L654-K658 VanDerWaalsContact O-CE 3.28Å; L654-K658 WeakPolarHBondContact O-CE 3.38Å; L654-K658 VanDerWaalsContact O-CG 3.29Å; L654-K658 WeakPolarHBondContact O-CG 3.4Å
655	N	76.1	Confident	71.2	Confident	80 Å²	80	103.6 Å²	103.6	43%	0.428	54%	0.543	S	S	.	.	H	α-helix	trans	-83.4	-43.5	174.5	-70.2	-19.2	0	0	0	111.6	N651 Q652 I653 A657 K658 D659	N651-N655 PolarHBondContact O-N 2.92Å; N651-N655 PolarHBondContact O-ND2 2.96Å; Q652-N655 PolarHBondContact O-N 2.91Å; Q652-N655 VanDerWaalsContact O-N 3.15Å; I653-N655 VanDerWaalsContact C-N 3.27Å; I653-N655 PolarHBondContact O-N 3.22Å; N655-A657 PolarHBondContact O-N 2.96Å; N655-K658 WeakPolarHBondContact O-CA 3.35Å; N655-K658 WeakPolarHBondContact O-CB 3.46Å; N655-K658 PolarHBondContact O-N 2.71Å; N655-K658 PolarHBondContact OD1-NZ 3.32Å; N655-D659 PolarHBondContact O-N 3.25Å
656	I	75.9	Confident	68.9	Low	108 Å²	108	101 Å²	101	55%	0.554	55%	0.552	S	S	*	*	H	α-helix	trans	-55.1	-40.6	172.1	-66.4	163	0	0	0	110.7	Q652 I653 K658 D659 I660	Q652-I656 WeakPolarHBondContact O-CG1 3.24Å; Q652-I656 PolarHBondContact O-N 3.49Å; I653-I656 PolarHBondContact O-N 2.97Å; I656-K658 VanDerWaalsContact C-N 3.27Å; I656-K658 PolarHBondContact O-N 3.26Å; I656-D659 PolarHBondContact O-N 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.38Å; I656-I660 PolarHBondContact O-N 2.92Å
657	A	70	Confident	66.9	Low	57 Å²	57	102.4 Å²	102.4	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-64.2	-24.5	175.3	0	0	0	0	0	114.5	I653 N655	I653-A657 WeakPolarHBondContact O-CB 3.34Å; I653-A657 PolarHBondContact O-N 3.12Å; N655-A657 PolarHBondContact O-N 2.96Å
658	K	72.1	Confident	65.6	Low	118 Å²	118	103.6 Å²	103.6	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-84.2	-22.5	175.4	-67.8	164.1	-163.9	160.8	0	113.1	L654 N655 I656 P661	L654-K658 WeakPolarHBondContact O-CD 3.32Å; L654-K658 VanDerWaalsContact O-CE 3.28Å; L654-K658 WeakPolarHBondContact O-CE 3.38Å; L654-K658 VanDerWaalsContact O-CG 3.29Å; L654-K658 WeakPolarHBondContact O-CG 3.4Å; N655-K658 WeakPolarHBondContact O-CA 3.35Å; N655-K658 WeakPolarHBondContact O-CB 3.46Å; N655-K658 PolarHBondContact O-N 2.71Å; N655-K658 PolarHBondContact OD1-NZ 3.32Å; I656-K658 VanDerWaalsContact C-N 3.27Å; I656-K658 PolarHBondContact O-N 3.26Å; K658-P661 WeakPolarHBondContact O-CD 3.27Å
659	D	64.9	Low	62.9	Low	97 Å²	97	103.6 Å²	103.6	52%	0.519	59%	0.594	S	S	.	*	H	α-helix	trans	-84.4	-27.9	-178.9	-66.3	-32.9	0	0	0	112.7	N655 I656 T662 I663	N655-D659 PolarHBondContact O-N 3.25Å; I656-D659 PolarHBondContact O-N 3.29Å; D659-T662 WeakPolarHBondContact O-CB 3.43Å; D659-T662 PolarHBondContact O-N 2.87Å; D659-T662 VanDerWaalsContact O-N 3.13Å; D659-I663 PolarHBondContact O-N 3.27Å
660	I	61	Low	60.4	Low	100 Å²	100	108.4 Å²	108.4	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-54.2	-46.3	178.5	-71.7	166.7	0	0	0	113.7	I656 T662 I663 T664	I656-I660 WeakPolarHBondContact O-CG1 3.38Å; I656-I660 PolarHBondContact O-N 2.92Å; I660-T662 VanDerWaalsContact C-N 3.29Å; I660-T662 PolarHBondContact O-N 3.5Å; I660-I663 PolarHBondContact O-N 3.06Å; I660-T664 PolarHBondContact O-N 2.88Å; I660-T664 PolarHBondContact O-OG1 2.66Å
661	P	56.1	Low	58.2	Low	71 Å²	71	111.6 Å²	111.6	46%	0.461	63%	0.626	S	S	.	*	H	α-helix	trans	-58.8	-37.6	176.2	-25.6	34.9	0	0	0	113.7	K658 I663 T664 Y665	K658-P661 WeakPolarHBondContact O-CD 3.27Å; P661-I663 VanDerWaalsContact C-N 3.31Å; P661-I663 PolarHBondContact O-N 2.96Å; P661-T664 PolarHBondContact O-N 3.39Å; P661-Y665 PolarHBondContact O-N 2.87Å
662	T	53.8	Low	55.6	Low	111 Å²	111	110.7 Å²	110.7	68%	0.681	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-31.7	-176.3	-44.8	0	0	0	0	112.2	D659 I660	D659-T662 WeakPolarHBondContact O-CB 3.43Å; D659-T662 PolarHBondContact O-N 2.87Å; D659-T662 VanDerWaalsContact O-N 3.13Å; I660-T662 VanDerWaalsContact C-N 3.29Å; I660-T662 PolarHBondContact O-N 3.5Å
663	I	53	Low	53.1	Low	146 Å²	146	112.9 Å²	112.9	75%	0.749	66%	0.659	S	S	*	*	H	α-helix	trans	-77.5	-24.9	174	-62.5	166.6	0	0	0	111.2	D659 I660 P661	D659-I663 PolarHBondContact O-N 3.27Å; I660-I663 PolarHBondContact O-N 3.06Å; P661-I663 VanDerWaalsContact C-N 3.31Å; P661-I663 PolarHBondContact O-N 2.96Å
664	T	49.1	Very low	50.7	Low	86 Å²	86	117.5 Å²	117.5	53%	0.528	68%	0.675	S	S	.	*	H	α-helix	trans	-89	-27.1	-171	-52.7	0	0	0	0	113.7	I660 P661	I660-T664 PolarHBondContact O-N 2.88Å; I660-T664 PolarHBondContact O-OG1 2.66Å; P661-T664 PolarHBondContact O-N 3.39Å
665	Y	44.4	Very low	48.3	Very low	185 Å²	185	119.2 Å²	119.2	73%	0.725	70%	0.695	S	S	*	*			trans	-124.6	79.9	-174.2	-73.4	-77.1	0	0	0	114.7	P661	P661-Y665 PolarHBondContact O-N 2.87Å
666	G	37.8	Very low	46	Very low	79 Å²	79	120.9 Å²	120.9	81%	0.814	71%	0.712	S	S	*	*			trans	-63.7	145.6	159	0	0	0	0	0	111.7
667	S	36.9	Very low	44.4	Very low	110 Å²	110	121.5 Å²	121.5	77%	0.769	72%	0.724	S	S	*	*			trans	-143.1	157.7	-176.7	-75	0	0	0	0	111.5
668	P	51.2	Low	42.4	Very low	130 Å²	130	126.2 Å²	126.2	84%	0.844	74%	0.739	S	S	*	*			cis	-127.5	160.7	-19.3	37	-21.8	0	0	0	113.7
669	G	28.8	Very low	40.2	Very low	77 Å²	77	123.9 Å²	123.9	79%	0.794	75%	0.749	S	S	*	*			trans	-129.7	148.8	171.1	0	0	0	0	0	111.3
670	K	32.9	Very low	38.3	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	77%	0.77	S	S	*	*			trans	-98.9	158.5	-169.2	-67.3	-175.2	-178.8	177.8	0	114.8
671	E	31	Very low	36.5	Very low	194 Å²	194	137.4 Å²	137.4	91%	0.907	79%	0.786	S	S	*	*			trans	99	146.3	159.7	-54.2	-165.2	176	0	0	116
672	G	30.4	Very low	35.2	Very low	75 Å²	75	138.4 Å²	138.4	77%	0.773	80%	0.795	S	S	*	*			trans	-164.6	164.6	-166.2	0	0	0	0	0	114.8
673	V	28.7	Very low	33.9	Very low	153 Å²	153	141.7 Å²	141.7	93%	0.927	80%	0.803	S	S	*	*			trans	-140.7	155.7	176.7	169.9	0	0	0	0	108.7
674	K	32.5	Very low	33	Very low	199 Å²	199	143.8 Å²	143.8	87%	0.865	81%	0.806	S	S	*	*			trans	-94.9	140.8	-175.9	-53.7	168	-178.7	174.1	0	112.1
675	S	27.3	Very low	31.9	Very low	124 Å²	124	145.4 Å²	145.4	87%	0.867	82%	0.822	S	S	*	*			trans	-166.7	158.2	146.6	48.6	0	0	0	0	112.3
676	S	28.6	Very low	31.2	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	82%	0.821	S	S	*	*			trans	-99	168.5	-177.7	-106	0	0	0	0	112.9
677	P	41.6	Very low	30.7	Very low	122 Å²	122	145.3 Å²	145.3	79%	0.792	83%	0.825	S	S	*	*			trans	-85.2	156.4	-157.6	33.3	-37.6	0	0	0	115.5
678	I	27.9	Very low	30.2	Very low	155 Å²	155	149.8 Å²	149.8	80%	0.795	83%	0.826	S	S	*	*			trans	-127.8	124.2	163.5	-62.2	177	0	0	0	107.5
679	G	26	Very low	29.1	Very low	70 Å²	70	150 Å²	150	72%	0.722	82%	0.82	S	S	*	*			trans	-91.5	157.5	176.5	0	0	0	0	0	112.7
680	W	25	Very low	29	Very low	255 Å²	255	154.9 Å²	154.9	97%	0.966	83%	0.827	S	S	*	*			trans	-106.6	152	170.4	-76.9	85.5	0	0	0	111.4
681	R	23.8	Very low	28.7	Very low	225 Å²	225	154.3 Å²	154.3	85%	0.849	82%	0.819	S	S	*	*			trans	-136.8	146.9	-165.7	177.7	-163.7	-72.2	-115.4	3.4	109.3
682	S	28.9	Very low	28.4	Very low	92 Å²	92	153.2 Å²	153.2	64%	0.643	81%	0.811	S	S	*	*			trans	70.1	164.1	165.4	-90.1	0	0	0	0	115.9
683	Q	25.7	Very low	28.2	Very low	180 Å²	180	156.4 Å²	156.4	84%	0.841	81%	0.806	S	S	*	*			cis	-142.1	169.8	5.4	-147.8	129.4	-28.3	0	0	113.4
684	K	35.4	Very low	28	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	80%	0.798	S	S	*	*			trans	-96.2	151.2	170.6	-57.7	176	178.1	-178.4	0	111.5
685	S	25.7	Very low	27.6	Very low	121 Å²	121	152.8 Å²	152.8	85%	0.846	80%	0.795	S	S	*	*			trans	-144.3	131.4	145.1	-67.2	0	0	0	0	107.1
686	A	29.5	Very low	27.6	Very low	86 Å²	86	150.2 Å²	150.2	71%	0.711	79%	0.788	S	S	*	*			cis	83.6	98.6	19.1	0	0	0	0	0	115.9
687	I	26.3	Very low	28.3	Very low	176 Å²	176	150.4 Å²	150.4	90%	0.903	79%	0.787	S	S	*	*			trans	-130.4	151.2	149.7	-66.9	-175.4	0	0	0	106.7
688	Y	26.4	Very low	27.5	Very low	203 Å²	203	155.7 Å²	155.7	80%	0.796	79%	0.791	S	S	*	*			trans	-140.5	155.7	-164.5	-127.3	-64.6	0	0	0	110.5
689	L	28.7	Very low	27.3	Very low	136 Å²	136	154 Å²	154	71%	0.712	79%	0.792	S	S	*	*			trans	67.7	125.5	162.7	-57.3	173.3	0	0	0	118.1
690	L	27.1	Very low	27.3	Very low	179 Å²	179	153.6 Å²	153.6	94%	0.937	79%	0.788	S	S	*	*				-139.4	160.7	97	-111	173.4	0	0	0	110.8
691	R	26.8	Very low	27.3	Very low	191 Å²	191	149.3 Å²	149.3	72%	0.721	78%	0.783	S	S	*	*			trans	-142.2	132.6	-167.1	173.1	-171.6	-177.2	171.5	2.2	108.7
692	K	24.8	Very low	27.4	Very low	170 Å²	170	144.5 Å²	144.5	74%	0.739	77%	0.773	S	S	*	*			trans	-142.3	157.6	152.7	-128.5	-163.2	176.2	-139.8	0	111.6	E694	K692-E694 IonicContact NZ-OE1 2.68Å; K692-E694 IonicContact NZ-OE2 3.82Å; K692-E694 PolarHBondContact NZ-OE2 3.32Å
693	Q	25.3	Very low	27.2	Very low	143 Å²	143	150.9 Å²	150.9	67%	0.668	79%	0.785	S	S	*	*			trans	-156.6	123.1	-165.1	168.1	-173.3	-10.5	0	0	105.9
694	E	23.8	Very low	27.2	Very low	160 Å²	160	147.2 Å²	147.2	75%	0.748	78%	0.779	S	S	*	*			trans	-159.2	159.6	171.6	-113.7	142.3	-170.2	0	0	110.1	K692	K692-E694 IonicContact NZ-OE1 2.68Å; K692-E694 IonicContact NZ-OE2 3.82Å; K692-E694 PolarHBondContact NZ-OE2 3.32Å
695	S	25.5	Very low	27.8	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	77%	0.772	S	S	*	*			trans	-107.5	169.4	-164.2	51.2	0	0	0	0	113.8
696	G	27.1	Very low	27.7	Very low	69 Å²	69	147.5 Å²	147.5	71%	0.711	78%	0.776	S	S	*	*			trans	-70.2	-159.2	172.4	0	0	0	0	0	114.1
697	P	42.2	Very low	27.6	Very low	120 Å²	120	152.4 Å²	152.4	78%	0.779	78%	0.781	S	S	*	*			cis	-148.3	-168.4	30.3	43.5	-23.1	0	0	0	117.2
698	R	25.2	Very low	27.5	Very low	233 Å²	233	149.5 Å²	149.5	88%	0.879	78%	0.777	S	S	*	*			trans	76	144.7	149.5	-95.6	-176.1	172.1	-173.6	-2.3	121.6
699	S	25.1	Very low	27.3	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	78%	0.781	S	S	*	*			trans	68.1	146.5	163.4	-55.6	0	0	0	0	117.1
700	G	24.3	Very low	27.2	Very low	62 Å²	62	148.5 Å²	148.5	64%	0.639	78%	0.78	S	S	*	*			cis	130.6	148	-7.2	0	0	0	0	0	113.7
701	L	26.6	Very low	27	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	77%	0.774	S	S	*	*			trans	72.9	153	-179.7	-44.9	-179.1	0	0	0	114
702	I	24.5	Very low	26.9	Very low	124 Å²	124	143.2 Å²	143.2	64%	0.636	78%	0.781	S	S	*	*			cis	-157	135.9	-14.6	-115.4	167.7	0	0	0	105.5
703	Y	24.8	Very low	26.9	Very low	226 Å²	226	138.5 Å²	138.5	89%	0.886	78%	0.781	S	S	*	*				-157.4	166.7	85.3	-118	-77.5	0	0	0	111.9
704	S	26.2	Very low	27.5	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	79%	0.786	S	S	*	*			trans	-139.3	-164.9	-165.3	74.1	0	0	0	0	111.9
705	P	48.2	Very low	27.6	Very low	104 Å²	104	136 Å²	136	68%	0.675	79%	0.788	S	S	*	*				-114.8	176	-128.3	42	-28.3	0	0	0	115
706	F	23.1	Very low	27.6	Very low	214 Å²	214	138.2 Å²	138.2	94%	0.939	79%	0.791	S	S	*	*			trans	-132.8	143.5	160.1	-97.6	-83.3	0	0	0	113.9
707	K	27.1	Very low	27.3	Very low	188 Å²	188	138.4 Å²	138.4	82%	0.817	79%	0.793	S	S	*	*			trans	-105.7	161.5	173.7	-64.1	174.6	174	178.1	0	109.8
708	S	24.2	Very low	26.4	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	80%	0.799	S	S	*	*			trans	153.3	168.8	131.7	-75.8	0	0	0	0	111.6
709	R	22.5	Very low	26.4	Very low	232 Å²	232	131.1 Å²	131.1	88%	0.875	80%	0.795	S	S	*	*			cis	-179.1	145.3	-35.6	179.9	176.9	175.9	171.6	0.4	105.7
710	A	26	Very low	26.7	Very low	85 Å²	85	131.2 Å²	131.2	70%	0.702	79%	0.792	S	S	*	*			trans	-79.8	146.9	175.8	0	0	0	0	0	113.5
711	S	24.2	Very low	26.7	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	80%	0.803	S	S	*	*			trans	171.4	124.2	133.9	-93.2	0	0	0	0	116.2
712	V	24.9	Very low	26.5	Very low	143 Å²	143	137.4 Å²	137.4	87%	0.867	80%	0.799	S	S	*	*			trans	44.1	110.7	130.1	-167.2	0	0	0	0	123
713	G	24.7	Very low	26.4	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	80%	0.803	S	S	*	*			trans	65.6	179.2	137.1	0	0	0	0	0	121.4
714	P	37.6	Very low	26.2	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	79%	0.792	S	S	*	*			cis	-141.4	168.7	-14.5	43.1	-26.3	0	0	0	117.2
715	V	25	Very low	26.1	Very low	132 Å²	132	133.4 Å²	133.4	80%	0.8	80%	0.799	S	S	*	*			trans	69.9	130.6	140.7	163	0	0	0	0	124.5
716	D	25.9	Very low	24.8	Very low	163 Å²	163	132.7 Å²	132.7	87%	0.872	80%	0.796	S	S	*	*			trans	86.1	144.5	149.6	-111.9	-36.2	0	0	0	126.9
717	G	22	Very low	24.7	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	79%	0.789	S	S	*	*			trans	108.4	94.1	138.9	0	0	0	0	0	121.1
718	G	23.2	Very low	24.5	Very low	88 Å²	88	133.8 Å²	133.8	91%	0.907	79%	0.794	S	S	*	*			trans	155.6	121.1	151.7	0	0	0	0	0	119.7
719	S	23.7	Very low	24.4	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	79%	0.794	S	S	*	*			trans	-152.6	136.2	161.4	-175.5	0	0	0	0	110.6
720	P	32.3	Very low	24.4	Very low	120 Å²	120	129 Å²	129	78%	0.779	79%	0.791	S	S	*	*				-133.8	160.2	113.4	12.8	9.6	0	0	0	111.9
721	R	23.9	Very low	24.3	Very low	229 Å²	229	129.4 Å²	129.4	86%	0.864	79%	0.794	S	S	*	*			cis	90.4	144.7	33.8	-156	-174.2	-162	-129.2	5.3	113.4
722	V	22.4	Very low	24.2	Very low	127 Å²	127	130.6 Å²	130.6	77%	0.77	80%	0.796	S	S	*	*			trans	86.1	143.6	172	-174.1	0	0	0	0	115.4
723	S	22	Very low	24.6	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	79%	0.792	S	S	*	*			cis	-175.7	171.4	-33.2	-85.2	0	0	0	0	109.7
724	A	21.6	Very low	24.5	Very low	78 Å²	78	130.7 Å²	130.7	65%	0.645	80%	0.795	S	S	*	*			trans	75	122.2	147.6	0	0	0	0	0	118
725	E	22.9	Very low	23.8	Very low	188 Å²	188	133.9 Å²	133.9	88%	0.879	80%	0.8	S	S	*	*				98.6	157.4	94.2	-85.4	-174.5	147.3	0	0	112.4
726	S	22	Very low	24	Very low	88 Å²	88	133.4 Å²	133.4	62%	0.615	80%	0.799	S	S	*	*			cis	-159.7	152.7	-2.4	148.1	0	0	0	0	111
727	F	20.5	Very low	23.8	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.794	80%	0.799	S	S	*	*			trans	23.5	135.1	153.5	-68.9	-117.1	0	0	0	121.3
728	R	23.6	Very low	24.1	Very low	244 Å²	244	135.2 Å²	135.2	92%	0.921	81%	0.805	S	S	*	*				-168.4	167.9	93.2	-100.1	-178.2	-170.4	-165.1	2.6	114
729	V	21.7	Very low	24.1	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	81%	0.806	S	S	*	*			trans	-125.6	144.4	-172.2	169.1	0	0	0	0	109.2
730	S	21.5	Very low	24.2	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	81%	0.807	S	S	*	*				157.6	168.5	121.1	-156.4	0	0	0	0	114.6
731	A	23.6	Very low	23.9	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	80%	0.801	S	S	*	*			trans	81.5	105.3	158.3	0	0	0	0	0	120.8
732	V	22.9	Very low	24.2	Very low	141 Å²	141	138.7 Å²	138.7	86%	0.855	80%	0.798	S	S	*	*			trans	-101.8	144.4	151.1	170.8	0	0	0	0	104.6
733	P	33.5	Very low	24.6	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	80%	0.795	S	S	*	*				-154.2	174	60.6	42.8	-22.2	0	0	0	119.1
734	A	22.3	Very low	24.8	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	80%	0.801	S	S	*	*				144.6	132.7	127	0	0	0	0	0	114.4
735	E	24.3	Very low	25.3	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	81%	0.812	S	S	*	*			trans	-84.2	166.8	159.1	-55.7	-179.6	119.6	0	0	110
736	P	27.9	Very low	25.7	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	81%	0.811	S	S	*	*				-155.2	159	93.8	39.7	-21.6	0	0	0	118.5
737	A	22.8	Very low	26.2	Very low	104 Å²	104	143.5 Å²	143.5	86%	0.86	82%	0.816	S	S	*	*			trans	75.4	140	141.7	0	0	0	0	0	122.6
738	L	26.5	Very low	27	Very low	169 Å²	169	144.4 Å²	144.4	89%	0.885	82%	0.823	S	S	*	*			trans	-86.5	155.9	172.1	-69.6	158.2	0	0	0	112.3
739	Q	24.3	Very low	27.4	Very low	197 Å²	197	137.8 Å²	137.8	92%	0.921	82%	0.82	S	S	*	*			trans	-137.2	155.8	155.1	-69.4	-165.1	-2.2	0	0	111.1
740	H	26.2	Very low	28.1	Very low	174 Å²	174	134.6 Å²	134.6	81%	0.806	81%	0.814	S	S	*	*			trans	-93.9	145.4	-169.2	-110.4	-114.5	0	0	0	113.8
741	L	26.3	Very low	29.2	Very low	128 Å²	128	134.9 Å²	134.9	67%	0.67	81%	0.814	S	S	*	*			trans	14.5	142.5	143.7	-72.5	168.9	0	0	0	120	V743	L741-V743 HydrophobicContact CD2-CG2 4.07Å
742	P	28.6	Very low	29.7	Very low	123 Å²	123	136.8 Å²	136.8	80%	0.799	82%	0.818	S	S	*	*				-124.9	154.3	90.6	36.9	-33.9	0	0	0	114.8
743	V	30.6	Very low	29.9	Very low	115 Å²	115	133.7 Å²	133.7	70%	0.697	81%	0.814	S	S	*	*			trans	-77.3	142.7	165.6	177.5	0	0	0	0	109.2	L741	L741-V743 HydrophobicContact CD2-CG2 4.07Å
744	M	28	Very low	29.7	Very low	175 Å²	175	136.5 Å²	136.5	86%	0.862	82%	0.817	S	S	*	*			trans	-123	126.9	154.6	-71.4	-156.5	-53.8	0	0	109.9
745	E	32.1	Very low	30	Very low	185 Å²	185	141 Å²	141	86%	0.864	82%	0.824	S	S	*	*			trans	-97.5	113	177.1	178.9	176.9	-149.4	0	0	108.1
746	T	30.9	Very low	30.1	Very low	140 Å²	140	138 Å²	138	86%	0.859	82%	0.818	S	S	*	*			trans	-96.6	99.4	173.8	44.9	0	0	0	0	109.7
747	G	31.7	Very low	30.2	Very low	71 Å²	71	142 Å²	142	73%	0.732	82%	0.823	S	S	*	*			trans	-72.9	174.5	-177.5	0	0	0	0	0	115.3
748	E	37.3	Very low	30.4	Very low	201 Å²	201	140.8 Å²	140.8	94%	0.939	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.7	147.5	-177	-60.4	179.1	111.4	0	0	113.4
749	A	32.2	Very low	30.6	Very low	104 Å²	104	139 Å²	139	86%	0.86	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.9	117.7	173.7	0	0	0	0	0	110.9
750	G	36	Very low	30.7	Very low	66 Å²	66	136.5 Å²	136.5	68%	0.68	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.2	159.4	175	0	0	0	0	0	113.7
751	P	45.8	Very low	30.9	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-66.6	154.3	-176.4	27.5	-35.2	0	0	0	113	G753	P751-G753 PolarHBondContact O-N 2.94Å
752	P	34	Very low	31.3	Very low	134 Å²	134	137 Å²	137	87%	0.87	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61.3	132.9	-177.4	-23.6	34.5	0	0	0	113.7
753	G	27.2	Very low	31.1	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.3	144.2	-179.2	0	0	0	0	0	114.4	P751	P751-G753 PolarHBondContact O-N 2.94Å
754	E	29.6	Very low	30.9	Very low	178 Å²	178	140 Å²	140	83%	0.832	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.5	127.9	177.6	-174.6	174.5	-154.1	0	0	111.8	T756	E754-T756 PolarHBondContact O-N 3.49Å; E754-T756 VanDerWaalsContact O-N 3.08Å
755	M	26.8	Very low	30.8	Very low	191 Å²	191	137.9 Å²	137.9	94%	0.941	82%	0.816	S	S	*	*			trans	-79.2	89.3	178.7	-71.4	-166.4	-172.8	0	0	112.3
756	T	27.2	Very low	30.6	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.4	133.6	159.9	48.7	0	0	0	0	110.5	E754	E754-T756 PolarHBondContact O-N 3.49Å; E754-T756 VanDerWaalsContact O-N 3.08Å
757	K	30.6	Very low	30.3	Very low	206 Å²	206	137.6 Å²	137.6	90%	0.896	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88	123.8	173.9	-90.1	-173.7	172.9	-178.7	0	110.5
758	G	26.6	Very low	30	Very low	80 Å²	80	137.8 Å²	137.8	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.1	157.6	169.1	0	0	0	0	0	113.3
759	T	30	Very low	29.4	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-97	161.7	-175.4	48.5	0	0	0	0	113.6
760	D	28.1	Very low	29.1	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	81%	0.81	S	S	*	*			trans	-172.2	144.3	140.9	-93.1	-15.1	0	0	0	107.2
761	L	29.9	Very low	28.5	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	82%	0.818	S	S	*	*			cis	-153.3	145.2	-6.5	-102.3	160.5	0	0	0	107.9
762	N	34.1	Very low	27.7	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	82%	0.819	S	S	*	*			trans	-155	161.6	152.8	-151.6	-4.3	0	0	0	111.9
763	M	24.6	Very low	27.9	Very low	148 Å²	148	136.2 Å²	136.2	73%	0.729	82%	0.817	S	S	*	*			trans	-75.7	142.9	-161.3	-82.7	171.1	53.9	0	0	117.3
764	M	25.9	Very low	27.7	Very low	154 Å²	154	137.5 Å²	137.5	76%	0.759	82%	0.82	S	S	*	*			trans	66.9	93.3	145	-68.7	179.2	173	0	0	120.7
765	T	25.8	Very low	28.1	Very low	131 Å²	131	138.6 Å²	138.6	80%	0.804	82%	0.822	S	S	*	*				33.4	114.7	121.2	56.8	0	0	0	0	120.9
766	V	28.4	Very low	28	Very low	154 Å²	154	133.5 Å²	133.5	93%	0.933	81%	0.81	S	S	*	*			trans	-139.4	151.4	133.7	-179.6	0	0	0	0	108.3
767	Q	25.2	Very low	27.8	Very low	165 Å²	165	134 Å²	134	77%	0.771	81%	0.814	S	S	*	*			trans	-111.1	144.4	-173.3	-178.2	179.6	2.8	0	0	111.9
768	G	24.3	Very low	27.8	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	81%	0.809	S	S	*	*			trans	-165.5	148	174.5	0	0	0	0	0	112.3
769	F	24.8	Very low	27.8	Very low	182 Å²	182	133.1 Å²	133.1	80%	0.798	82%	0.815	S	S	*	*			trans	-112	147.7	-171.5	-82.6	-91.5	0	0	0	113.9
770	A	25.8	Very low	27.7	Very low	104 Å²	104	134 Å²	134	86%	0.86	82%	0.815	S	S	*	*			trans	39.7	125.6	146.5	0	0	0	0	0	121.1
771	G	22.9	Very low	27.7	Very low	83 Å²	83	131.2 Å²	131.2	86%	0.856	81%	0.806	S	S	*	*			trans	179	104.4	162.6	0	0	0	0	0	114.8
772	A	29.9	Very low	27.8	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	81%	0.806	S	S	*	*			trans	-102.6	148.8	149.4	0	0	0	0	0	106.5
773	P	38	Very low	27.5	Very low	128 Å²	128	133 Å²	133	83%	0.831	81%	0.806	S	S	*	*				-157.6	-164	77.4	40.7	-19	0	0	0	115.9
774	A	23	Very low	27.7	Very low	103 Å²	103	132.4 Å²	132.4	85%	0.851	81%	0.811	S	S	*	*			trans	106.3	164.5	143.7	0	0	0	0	0	119.5
775	K	37.2	Very low	27.8	Very low	200 Å²	200	130.4 Å²	130.4	87%	0.87	81%	0.812	S	S	*	*			trans	-149.1	136.5	-153.9	167.3	-173.9	176.6	-178.9	0	109.3
776	A	25.1	Very low	28	Very low	84 Å²	84	133 Å²	133	69%	0.694	82%	0.818	S	S	*	*			trans	-144.5	115.4	171.7	0	0	0	0	0	107.5
777	T	24.7	Very low	28.3	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	81%	0.809	S	S	*	*				71.5	128.6	71.5	62.3	0	0	0	0	114.4
778	S	30.2	Very low	28.4	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	81%	0.814	S	S	*	*			trans	-96.1	148.4	-169.4	51	0	0	0	0	114.5
779	T	26.2	Very low	29.3	Very low	155 Å²	155	136 Å²	136	95%	0.951	82%	0.821	S	S	*	*			trans	-151.6	167.4	153.2	24.7	0	0	0	0	110.7
780	D	27.5	Very low	29.8	Very low	150 Å²	150	132 Å²	132	80%	0.802	82%	0.816	S	S	*	*			trans	-104.2	163.1	-147.8	-156.6	-26.1	0	0	0	115.9
781	S	27.3	Very low	31.2	Very low	84 Å²	84	130.7 Å²	130.7	59%	0.587	81%	0.812	S	S	*	*			trans	86.8	112.7	140.6	-84.2	0	0	0	0	124.3
782	L	32.8	Very low	33.2	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	80%	0.801	S	S	*	*			trans	70	105.3	130.1	-64.6	167.4	0	0	0	121.1
783	K	27.9	Very low	35.7	Very low	199 Å²	199	136.5 Å²	136.5	87%	0.865	80%	0.798	S	S	*	*				-172.1	121.7	102.5	-102.2	165.3	-175.2	172.1	0	116
784	T	28.6	Very low	38.3	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	76%	0.76	S	S	*	*			trans	22.9	114.1	144.3	-42.6	0	0	0	0	121.3
785	S	28.8	Very low	41.8	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	73%	0.727	S	S	*	*			trans	-150.7	128.1	135.4	59.6	0	0	0	0	110.9
786	M	30	Very low	44.7	Very low	187 Å²	187	117.5 Å²	117.5	92%	0.921	69%	0.686	S	S	*	*			trans	-83.6	148.1	165.8	-85.6	-172.6	161.6	0	0	109.6
787	P	34.9	Very low	48.1	Very low	115 Å²	115	115 Å²	115	75%	0.747	66%	0.663	S	S	*	*				-139.8	148.2	116.2	37.2	-26.1	0	0	0	114.8
788	L	27.1	Very low	51.4	Low	170 Å²	170	108.5 Å²	108.5	89%	0.89	62%	0.624	S	S	*	*			trans	36.8	125.8	153.2	-102.9	63.1	0	0	0	121.3	S790	L788-S790 PolarHBondContact O-N 2.86Å
789	N	42.3	Very low	54.4	Low	170 Å²	170	103.2 Å²	103.2	91%	0.909	59%	0.587	S	S	*	*			trans	-37.4	119	169.5	-64.1	3.9	0	0	0	115.4
790	S	36.7	Very low	57.5	Low	99 Å²	99	95.9 Å²	95.9	69%	0.692	54%	0.542	S	S	*	.			trans	-106.8	133.1	134.1	57.5	0	0	0	0	107.7	L788 E792	L788-S790 PolarHBondContact O-N 2.86Å; S790-E792 PolarHBondContact O-N 3.3Å; S790-E792 VanDerWaalsContact O-N 3.13Å
791	G	54	Low	60.1	Low	75 Å²	75	89.5 Å²	89.5	77%	0.773	51%	0.508	S	S	*	.			trans	-60.1	117.5	179.9	0	0	0	0	0	111.2	K793	G791-K793 PolarHBondContact O-N 3.44Å
792	E	65.6	Low	62.3	Low	134 Å²	134	90.7 Å²	90.7	63%	0.626	51%	0.508	S	S	*	.			trans	-65.7	115.8	-178.3	-67.3	-177.6	143.3	0	0	109.6	S790 V794	S790-E792 PolarHBondContact O-N 3.3Å; S790-E792 VanDerWaalsContact O-N 3.13Å; E792-V794 HydrophobicContact CB-CG2 4.42Å; E792-V794 PolarHBondContact O-N 2.8Å
793	K	81.7	Confident	63.8	Low	169 Å²	169	88.3 Å²	88.3	74%	0.735	50%	0.501	S	S	*	.			trans	-78.7	117.1	172.5	-66.4	-177.6	-179.6	-178.8	0	107.5	G791 D821	G791-K793 PolarHBondContact O-N 3.44Å; K793-D821 HydrophobicContact CB-CB 4.38Å; K793-D821 CarbonylContact O-C 3.55Å; K793-D821 VanDerWaalsContact O-CB 3.23Å; K793-D821 WeakPolarHBondContact O-CB 3.45Å
794	V	93.8	Very high	65.4	Low	5 Å²	5	80.6 Å²	80.6	3%	0.03	47%	0.471	C	S	.	.			trans	-118.3	105.9	-178.9	178.6	0	0	0	0	107.5	E792 F832 P835 Y840 L931	E792-V794 HydrophobicContact CB-CG2 4.42Å; E792-V794 PolarHBondContact O-N 2.8Å; V794-F832 HydrophobicContact CG1-CE2 4.05Å; V794-F832 HydrophobicContact CG1-CZ 3.76Å; V794-P835 HydrophobicContact CB-CG 4.28Å; V794-P835 HydrophobicContact CG1-CG 3.77Å; V794-P835 HydrophobicContact CG2-CG 3.52Å; V794-Y840 HydrophobicContact CG1-CE1 3.93Å; V794-L931 HydrophobicContact CB-CB 3.85Å; V794-L931 HydrophobicContact CB-CD2 4.1Å; V794-L931 HydrophobicContact CG1-CB 4.43Å; V794-L931 HydrophobicContact CG2-CD2 4.1Å; V794-L931 PolarHBondContact O-N 3.35Å
795	S	95.6	Very high	66.6	Low	23 Å²	23	80.1 Å²	80.1	16%	0.161	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.2	177.2	95.7	0	0	0	0	110.3	V819 N820 D821 A929	S795-V819 VanDerWaalsContact OG-CG1 3.25Å; S795-V819 WeakPolarHBondContact OG-CG1 3.4Å; S795-N820 CarbonylContact O-C 3.51Å; S795-N820 VanDerWaalsContact O-CA 3.29Å; S795-N820 WeakPolarHBondContact O-CA 3.37Å; S795-D821 PolarHBondContact N-O 3.01Å; S795-D821 PolarHBondContact O-N 3.24Å; S795-D821 PolarHBondContact OG-OD2 3.49Å; S795-A929 CarbonylContact C-O 3.57Å; S795-A929 VanDerWaalsContact CA-O 3.3Å; S795-A929 WeakPolarHBondContact CA-O 3.43Å
796	F	97.3	Very high	67.6	Low	4 Å²	4	84.5 Å²	84.5	2%	0.018	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.6	167.2	81.4	-87.5	0	0	0	110.9	V819 Y825 F832 M906 F927 S928 A929	F796-V819 CarbonylContact C-O 3.58Å; F796-V819 WeakPolarHBondContact CA-O 3.22Å; F796-Y825 HydrophobicContact CB-CG 4.36Å; F796-Y825 HydrophobicContact CD1-CD2 4.47Å; F796-Y825 HydrophobicContact CD2-CD1 4.12Å; F796-Y825 AromaticContact CD2-CD2 3.58Å; F796-Y825 HydrophobicContact CD2-CD2 3.58Å; F796-Y825 HydrophobicContact CD2-CE2 4.14Å; F796-Y825 AromaticContact CD2-CG 3.57Å; F796-Y825 HydrophobicContact CD2-CG 3.57Å; F796-Y825 HydrophobicContact CE1-CD2 4.35Å; F796-Y825 AromaticContact CE2-CD2 3.46Å; F796-Y825 HydrophobicContact CE2-CD2 3.46Å; F796-Y825 VanDerWaalsContact CE2-CD2 3.46Å; F796-Y825 AromaticContact CE2-CE2 3.69Å; F796-Y825 HydrophobicContact CE2-CE2 3.69Å; F796-Y825 AromaticContact CE2-CG 3.97Å; F796-Y825 HydrophobicContact CE2-CG 3.97Å; F796-Y825 HydrophobicContact CG-CD2 4.11Å; F796-Y825 AromaticContact CG-CG 3.95Å; F796-Y825 HydrophobicContact CG-CG 3.95Å; F796-Y825 AromaticContact CZ-CD2 3.88Å; F796-Y825 HydrophobicContact CZ-CD2 3.88Å; F796-Y825 HydrophobicContact CZ-CE2 4.22Å; F796-F832 HydrophobicContact CD1-CB 4.23Å; F796-F832 AromaticContact CD1-CD2 3.29Å; F796-F832 HydrophobicContact CD1-CD2 3.29Å; F796-F832 AromaticContact CD1-CE2 3.76Å; F796-F832 HydrophobicContact CD1-CE2 3.76Å; F796-F832 AromaticContact CD1-CG 3.9Å; F796-F832 HydrophobicContact CD1-CG 3.9Å; F796-F832 HydrophobicContact CE1-CB 3.59Å; F796-F832 HydrophobicContact CE1-CD1 4.31Å; F796-F832 AromaticContact CE1-CD2 3.47Å; F796-F832 HydrophobicContact CE1-CD2 3.47Å; F796-F832 VanDerWaalsContact CE1-CD2 3.47Å; F796-F832 HydrophobicContact CE1-CE2 4.18Å; F796-F832 AromaticContact CE1-CG 3.53Å; F796-F832 HydrophobicContact CE1-CG 3.53Å; F796-F832 HydrophobicContact CG-CD2 4.29Å; F796-F832 HydrophobicContact CZ-CB 4.04Å; F796-F832 HydrophobicContact CZ-CG 4.46Å; F796-M906 HydrophobicContact CE1-CE 3.96Å; F796-M906 HydrophobicContact CZ-CE 4.17Å; F796-F927 AromaticContact CE2-CD1 3.74Å; F796-F927 HydrophobicContact CE2-CD1 3.74Å; F796-F927 HydrophobicContact CE2-CE1 4.02Å; F796-F927 HydrophobicContact CE2-CG 4.11Å; F796-F927 AromaticContact CZ-CD1 3.86Å; F796-F927 HydrophobicContact CZ-CD1 3.86Å; F796-F927 HydrophobicContact CZ-CD2 4.47Å; F796-F927 AromaticContact CZ-CE1 3.68Å; F796-F927 HydrophobicContact CZ-CE1 3.68Å; F796-F927 HydrophobicContact CZ-CE2 4.31Å; F796-F927 HydrophobicContact CZ-CG 4.27Å; F796-F927 AromaticContact CZ-CZ 3.93Å; F796-F927 HydrophobicContact CZ-CZ 3.93Å; F796-S928 CarbonylContact O-C 3.55Å; F796-S928 WeakPolarHBondContact O-CA 3.46Å; F796-S928 WeakPolarHBondContact O-CB 3.5Å; F796-A929 HydrophobicContact CD1-CB 4.04Å; F796-A929 HydrophobicContact CE1-CB 3.47Å; F796-A929 VanDerWaalsContact CE1-CB 3.47Å; F796-A929 HydrophobicContact CZ-CB 4.16Å; F796-A929 PolarHBondContact N-O 2.88Å; F796-A929 PolarHBondContact O-N 2.78Å
797	S	97	Very high	68.7	Low	30 Å²	30	82.4 Å²	82.4	21%	0.21	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	131.3	167.8	-179.4	0	0	0	0	108.6	L818 V819	S797-L818 WeakPolarHBondContact O-CA 3.47Å; S797-L818 WeakPolarHBondContact O-CB 3.46Å; S797-L818 PolarHBondContact O-N 3.44Å; S797-V819 PolarHBondContact N-O 2.91Å; S797-V819 PolarHBondContact O-N 3.43Å
798	A	95.4	Very high	69.7	Low	0 Å²	0	84 Å²	84	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.5	-177.3	0	0	0	0	0	111.2	F814 K816 V817 Y825 S926 F927	A798-F814 HydrophobicContact CB-CB 3.58Å; A798-K816 CarbonylContact C-O 3.46Å; A798-K816 WeakPolarHBondContact CA-O 3.36Å; A798-V817 HydrophobicContact CB-CG2 4.5Å; A798-Y825 HydrophobicContact CB-CD1 4.24Å; A798-Y825 HydrophobicContact CB-CE1 3.67Å; A798-S926 CarbonylContact O-C 3.58Å; A798-S926 VanDerWaalsContact O-CA 3.31Å; A798-S926 WeakPolarHBondContact O-CA 3.34Å; A798-F927 PolarHBondContact N-O 3.17Å; A798-F927 PolarHBondContact O-N 3.23Å
799	G	92.9	Very high	71.8	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	154.3	178	0	0	0	0	0	113.3	F814 N815 K816 I923	G799-F814 CarbonylContact O-C 3.58Å; G799-F814 VanDerWaalsContact O-C 3.26Å; G799-F814 WeakPolarHBondContact O-CA 3.43Å; G799-N815 PolarHBondContact O-N 3.46Å; G799-K816 PolarHBondContact N-O 2.73Å; G799-K816 WeakPolarHBondContact O-CB 3.5Å; G799-K816 PolarHBondContact O-N 2.77Å; G799-I923 VanDerWaalsContact CA-CG2 3.44Å
800	L	89.8	Confident	73.7	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	40%	0.402	C	S	.	.			trans	-89.3	128.2	168.2	-172.1	68.5	0	0	0	109.5	L802 T804 F814 L915 T917 S925	L800-L802 VanDerWaalsContact CD1-O 3.27Å; L800-L802 WeakPolarHBondContact CD1-O 3.46Å; L800-T804 HydrophobicContact CD1-CG2 3.58Å; L800-F814 HydrophobicContact CB-CD1 4.12Å; L800-F814 HydrophobicContact CB-CE1 4.49Å; L800-L915 HydrophobicContact CD2-CB 3.7Å; L800-L915 HydrophobicContact CD2-CD1 3.76Å; L800-L915 HydrophobicContact CD2-CG 4.37Å; L800-T917 HydrophobicContact CD2-CG2 4.09Å; L800-T917 HydrophobicContact CG-CG2 4.16Å; L800-S925 PolarHBondContact N-O 3.43Å
801	T	83.3	Confident	76.2	Confident	17 Å²	17	70.8 Å²	70.8	10%	0.104	39%	0.388	C	S	.	.			trans	-140.8	-6.9	175.7	45.7	0	0	0	0	114.2	N815 K816 I923	T801-N815 PolarHBondContact N-OD1 2.95Å; T801-N815 PolarHBondContact OG1-ND2 3.46Å; T801-N815 PolarHBondContact OG1-OD1 3.47Å; T801-N815 VanDerWaalsContact OG1-OD1 3.12Å; T801-K816 HydrophobicContact CG2-CB 4.31Å; T801-K816 HydrophobicContact CG2-CD 3.49Å; T801-K816 VanDerWaalsContact CG2-CD 3.49Å; T801-I923 HydrophobicContact CG2-CG1 4.04Å
802	L	72.9	Confident	77.9	Confident	109 Å²	109	67.3 Å²	67.3	57%	0.571	35%	0.351	S	S	*	.	S	Bend	trans	-121.1	143.4	171.4	-64.8	174.2	0	0	0	108.7	L800 T804 N815	L800-L802 VanDerWaalsContact CD1-O 3.27Å; L800-L802 WeakPolarHBondContact CD1-O 3.46Å; L802-T804 PolarHBondContact O-N 2.87Å; L802-N815 PolarHBondContact N-OD1 3.32Å
803	P	65.5	Low	79.2	Confident	101 Å²	101	64.9 Å²	64.9	66%	0.656	34%	0.336	S	S	*	.			trans	-62.8	124.8	178.2	24.9	-33.6	0	0	0	110.8	F805	P803-F805 PolarHBondContact O-N 3.22Å
804	T	59.8	Low	79.7	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	30%	0.301	C	S	.	.			trans	-81.5	96.3	-178	35.9	0	0	0	0	112	L800 L802 R813	L800-T804 HydrophobicContact CD1-CG2 3.58Å; L802-T804 PolarHBondContact O-N 2.87Å; T804-R813 HydrophobicContact CG2-CB 4.11Å
805	F	55.4	Low	79.4	Confident	124 Å²	124	59.3 Å²	59.3	54%	0.544	31%	0.314	S	S	.	.			trans	65.7	173.4	166	-76	-107.6	0	0	0	115.3	P803 R813	P803-F805 PolarHBondContact O-N 3.22Å; F805-R813 VanDerWaalsContact CE2-CZ 3.44Å; F805-R813 VanDerWaalsContact CZ-CZ 3.41Å; F805-R813 VanDerWaalsContact CZ-NH2 3.31Å
806	Q	49	Very low	79.3	Confident	204 Å²	204	61.5 Å²	61.5	95%	0.953	32%	0.321	S	S	*	.	S	Bend	trans	-100.6	4.4	176.1	-73.2	-174.6	-88.2	0	0	112.7
807	E	52.7	Low	79.1	Confident	143 Å²	143	64 Å²	64	67%	0.668	34%	0.336	S	S	*	.			trans	-98.1	134.3	-176	-64	172.5	144.4	0	0	109.4	A809	E807-A809 PolarHBondContact O-N 3.16Å
808	E	57	Low	78.9	Confident	148 Å²	148	67.3 Å²	67.3	69%	0.692	35%	0.351	S	S	*	.	S	Bend	trans	-75.4	-8.1	-171.1	-60.6	178.9	137.9	0	0	114
809	A	69.6	Low	78.9	Confident	57 Å²	57	70 Å²	70	47%	0.471	37%	0.368	S	S	.	.	S	Bend	trans	-147.2	145.7	174.5	0	0	0	0	0	110.6	E807 L910	E807-A809 PolarHBondContact O-N 3.16Å; A809-L910 CarbonylContact C-O 3.26Å; A809-L910 VanDerWaalsContact CA-O 3.29Å; A809-L910 WeakPolarHBondContact CA-O 3.29Å; A809-L910 WeakPolarHBondContact CB-O 3.4Å
810	G	82.9	Confident	79	Confident	29 Å²	29	72.2 Å²	72.2	30%	0.299	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	175.8	-178.8	0	0	0	0	0	114.6	I812 M909 L910	G810-I812 PolarHBondContact O-N 3.31Å; G810-M909 CarbonylContact O-C 3.6Å; G810-M909 WeakPolarHBondContact O-CA 3.41Å; G810-L910 PolarHBondContact N-O 3.39Å; G810-L910 PolarHBondContact O-N 2.85Å
811	I	88.3	Confident	79.2	Confident	76 Å²	76	75.6 Å²	75.6	39%	0.39	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.1	179.9	-59	179.6	0	0	0	110.3	T829 I831 L908	I811-T829 WeakPolarHBondContact CG2-O 3.39Å; I811-I831 HydrophobicContact CD1-CD1 3.96Å; I811-I831 HydrophobicContact CD1-CG1 4.43Å; I811-I831 HydrophobicContact CG2-CG1 4.3Å; I811-L908 WeakPolarHBondContact CA-O 3.24Å
812	I	91.3	Very high	79.4	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.01	42%	0.42	C	S	.	.			trans	-76.9	124.6	-178.1	-57.1	160.5	0	0	0	109.2	G810 F814 L846 A856 L908 L910 L915	G810-I812 PolarHBondContact O-N 3.31Å; I812-F814 HydrophobicContact CB-CE2 3.81Å; I812-F814 HydrophobicContact CB-CZ 4.2Å; I812-F814 HydrophobicContact CG2-CD2 4.03Å; I812-F814 HydrophobicContact CG2-CE1 4.14Å; I812-F814 HydrophobicContact CG2-CE2 3.45Å; I812-F814 VanDerWaalsContact CG2-CE2 3.45Å; I812-F814 HydrophobicContact CG2-CZ 3.51Å; I812-L846 HydrophobicContact CD1-CD1 4.2Å; I812-L846 HydrophobicContact CD1-CD2 4.1Å; I812-A856 HydrophobicContact CD1-CB 4.39Å; I812-L908 HydrophobicContact CD1-CB 4.25Å; I812-L908 HydrophobicContact CD1-CD2 4.11Å; I812-L908 PolarHBondContact N-O 3.16Å; I812-L910 HydrophobicContact CD1-CB 4Å; I812-L910 HydrophobicContact CD1-CD1 4.33Å; I812-L910 HydrophobicContact CG1-CB 3.85Å; I812-L915 HydrophobicContact CD1-CD1 3.97Å; I812-L915 HydrophobicContact CG1-CD1 4.06Å; I812-L915 HydrophobicContact CG2-CD1 3.67Å
813	R	91.4	Very high	80.3	Confident	83 Å²	83	74.7 Å²	74.7	31%	0.313	42%	0.418	S	S	.	.			trans	-106.1	96.7	-173.9	-52.5	177.7	-163.6	-150.4	15.3	110	T804 F805 N815 H828	T804-R813 HydrophobicContact CG2-CB 4.11Å; F805-R813 VanDerWaalsContact CE2-CZ 3.44Å; F805-R813 VanDerWaalsContact CZ-CZ 3.41Å; F805-R813 VanDerWaalsContact CZ-NH2 3.31Å; R813-N815 VanDerWaalsContact C-N 3.34Å; R813-N815 PolarHBondContact O-N 3.24Å; R813-H828 WeakPolarHBondContact CD-O 3.45Å; R813-H828 PolarHBondContact NH1-O 3.39Å
814	F	92.4	Very high	81.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.399	C	S	.	.			trans	-75.3	88.3	179.6	-60.7	-95.5	0	0	0	109.2	A798 G799 L800 I812 K816 Y825 L846 L908 F927	A798-F814 HydrophobicContact CB-CB 3.58Å; G799-F814 CarbonylContact O-C 3.58Å; G799-F814 VanDerWaalsContact O-C 3.26Å; G799-F814 WeakPolarHBondContact O-CA 3.43Å; L800-F814 HydrophobicContact CB-CD1 4.12Å; L800-F814 HydrophobicContact CB-CE1 4.49Å; I812-F814 HydrophobicContact CB-CE2 3.81Å; I812-F814 HydrophobicContact CB-CZ 4.2Å; I812-F814 HydrophobicContact CG2-CD2 4.03Å; I812-F814 HydrophobicContact CG2-CE1 4.14Å; I812-F814 HydrophobicContact CG2-CE2 3.45Å; I812-F814 VanDerWaalsContact CG2-CE2 3.45Å; I812-F814 HydrophobicContact CG2-CZ 3.51Å; F814-K816 VanDerWaalsContact C-N 3.29Å; F814-K816 PolarHBondContact O-N 3.24Å; F814-Y825 PolarHBondContact N-OH 2.8Å; F814-L846 HydrophobicContact CE1-CD2 4.35Å; F814-L846 HydrophobicContact CZ-CD2 3.96Å; F814-L908 HydrophobicContact CE2-CB 4.3Å; F814-L908 HydrophobicContact CZ-CD2 4.36Å; F814-F927 HydrophobicContact CD1-CB 4.01Å; F814-F927 HydrophobicContact CD2-CB 3.58Å; F814-F927 AromaticContact CD2-CD1 3.94Å; F814-F927 HydrophobicContact CD2-CD1 3.94Å; F814-F927 HydrophobicContact CD2-CG 4.21Å; F814-F927 HydrophobicContact CE1-CB 3.89Å; F814-F927 HydrophobicContact CE2-CB 3.45Å; F814-F927 VanDerWaalsContact CE2-CB 3.45Å; F814-F927 AromaticContact CE2-CD1 3.97Å; F814-F927 HydrophobicContact CE2-CD1 3.97Å; F814-F927 AromaticContact CE2-CG 3.99Å; F814-F927 HydrophobicContact CE2-CG 3.99Å; F814-F927 HydrophobicContact CG-CB 3.87Å; F814-F927 HydrophobicContact CZ-CB 3.61Å; F814-F927 HydrophobicContact CZ-CG 4.48Å
815	N	88.7	Confident	83.5	Confident	57 Å²	57	70.9 Å²	70.9	31%	0.305	39%	0.388	S	S	.	.			trans	-68.1	-21.7	-166.9	73.1	-75.7	0	0	0	114.5	G799 T801 L802 R813	G799-N815 PolarHBondContact O-N 3.46Å; T801-N815 PolarHBondContact N-OD1 2.95Å; T801-N815 PolarHBondContact OG1-ND2 3.46Å; T801-N815 PolarHBondContact OG1-OD1 3.47Å; T801-N815 VanDerWaalsContact OG1-OD1 3.12Å; L802-N815 PolarHBondContact N-OD1 3.32Å; R813-N815 VanDerWaalsContact C-N 3.34Å; R813-N815 PolarHBondContact O-N 3.24Å
816	K	92.2	Very high	85.4	Confident	69 Å²	69	67.6 Å²	67.6	30%	0.3	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	84.6	-174.8	-176.2	171.2	174.1	176.9	0	110.3	A798 G799 T801 F814 L818 L921 I923	A798-K816 CarbonylContact C-O 3.46Å; A798-K816 WeakPolarHBondContact CA-O 3.36Å; G799-K816 PolarHBondContact N-O 2.73Å; G799-K816 WeakPolarHBondContact O-CB 3.5Å; G799-K816 PolarHBondContact O-N 2.77Å; T801-K816 HydrophobicContact CG2-CB 4.31Å; T801-K816 HydrophobicContact CG2-CD 3.49Å; T801-K816 VanDerWaalsContact CG2-CD 3.49Å; F814-K816 VanDerWaalsContact C-N 3.29Å; F814-K816 PolarHBondContact O-N 3.24Å; K816-L818 PolarHBondContact O-N 3.09Å; K816-L921 PolarHBondContact NZ-O 3.37Å; K816-I923 HydrophobicContact CD-CD1 3.89Å; K816-I923 HydrophobicContact CD-CG1 4.02Å; K816-I923 HydrophobicContact CG-CD1 4.28Å
817	V	94.1	Very high	87.4	Confident	56 Å²	56	59.5 Å²	59.5	34%	0.339	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	127.9	175.1	-178.9	0	0	0	0	110.2	A798 V819 N820 Y825 P827	A798-V817 HydrophobicContact CB-CG2 4.5Å; V817-V819 WeakPolarHBondContact CG1-O 3.24Å; V817-N820 HydrophobicContact CG1-CB 3.77Å; V817-Y825 HydrophobicContact CG2-CD1 4.3Å; V817-P827 HydrophobicContact CG2-CB 3.77Å; V817-P827 HydrophobicContact CG2-CG 3.8Å
818	L	93.1	Very high	89.2	Confident	99 Å²	99	59.4 Å²	59.4	52%	0.518	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-40.3	173.7	-59.9	177.4	0	0	0	111.4	S797 K816 I923	S797-L818 WeakPolarHBondContact O-CA 3.47Å; S797-L818 WeakPolarHBondContact O-CB 3.46Å; S797-L818 PolarHBondContact O-N 3.44Å; K816-L818 PolarHBondContact O-N 3.09Å; L818-I923 HydrophobicContact CD1-CD1 3.88Å; L818-I923 HydrophobicContact CD2-CD1 3.82Å; L818-I923 HydrophobicContact CG-CD1 4.13Å
819	V	94.9	Very high	90.8	Very high	58 Å²	58	54.9 Å²	54.9	35%	0.352	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.7	178.8	-174.3	0	0	0	0	108.5	S795 F796 S797 V817	S795-V819 VanDerWaalsContact OG-CG1 3.25Å; S795-V819 WeakPolarHBondContact OG-CG1 3.4Å; F796-V819 CarbonylContact C-O 3.58Å; F796-V819 WeakPolarHBondContact CA-O 3.22Å; S797-V819 PolarHBondContact N-O 2.91Å; S797-V819 PolarHBondContact O-N 3.43Å; V817-V819 WeakPolarHBondContact CG1-O 3.24Å
820	N	95.1	Very high	91.8	Very high	46 Å²	46	52.2 Å²	52.2	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	59.8	174.8	-165.5	7	0	0	0	110.1	S795 V817 G822 G823 H824 Y825	S795-N820 CarbonylContact O-C 3.51Å; S795-N820 VanDerWaalsContact O-CA 3.29Å; S795-N820 WeakPolarHBondContact O-CA 3.37Å; V817-N820 HydrophobicContact CG1-CB 3.77Å; N820-G822 PolarHBondContact O-N 3.28Å; N820-G823 PolarHBondContact O-N 2.93Å; N820-G823 WeakPolarHBondContact OD1-CA 3.5Å; N820-H824 PolarHBondContact OD1-N 2.99Å; N820-H824 VanDerWaalsContact OD1-N 3.08Å; N820-Y825 PolarHBondContact ND2-O 3.22Å; N820-Y825 PolarHBondContact OD1-N 3.4Å
821	D	92.9	Very high	92.4	Very high	72 Å²	72	51.6 Å²	51.6	39%	0.385	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	124.6	176.6	-57.2	-44.8	0	0	0	109.8	K793 S795 G823	K793-D821 HydrophobicContact CB-CB 4.38Å; K793-D821 CarbonylContact O-C 3.55Å; K793-D821 VanDerWaalsContact O-CB 3.23Å; K793-D821 WeakPolarHBondContact O-CB 3.45Å; S795-D821 PolarHBondContact N-O 3.01Å; S795-D821 PolarHBondContact O-N 3.24Å; S795-D821 PolarHBondContact OG-OD2 3.49Å; D821-G823 VanDerWaalsContact C-N 3.28Å; D821-G823 PolarHBondContact O-N 3.4Å
822	G	88.6	Confident	92.8	Very high	56 Å²	56	48 Å²	48	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-12.9	-172.3	0	0	0	0	0	115	N820 H824	N820-G822 PolarHBondContact O-N 3.28Å; G822-H824 VanDerWaalsContact C-CD2 3.5Å; G822-H824 WeakPolarHBondContact CA-NE2 3.48Å; G822-H824 PolarHBondContact O-CE1 2.69Å; G822-H824 VanDerWaalsContact O-CE1 3.26Å; G822-H824 PolarHBondContact O-NE2 2.88Å
823	G	92.1	Very high	93	Very high	51 Å²	51	50.5 Å²	50.5	53%	0.526	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	24.2	176.6	0	0	0	0	0	114.4	N820 D821	N820-G823 PolarHBondContact O-N 2.93Å; N820-G823 WeakPolarHBondContact OD1-CA 3.5Å; D821-G823 VanDerWaalsContact C-N 3.28Å; D821-G823 PolarHBondContact O-N 3.4Å
824	H	94.7	Very high	93.2	Very high	54 Å²	54	46.6 Å²	46.6	25%	0.25	27%	0.273	C	S	.	.			trans	-87.7	-6.7	-170	-60.2	-55.1	0	0	0	115	N820 G822 F832 T833	N820-H824 PolarHBondContact OD1-N 2.99Å; N820-H824 VanDerWaalsContact OD1-N 3.08Å; G822-H824 VanDerWaalsContact C-CD2 3.5Å; G822-H824 WeakPolarHBondContact CA-NE2 3.48Å; G822-H824 PolarHBondContact O-CE1 2.69Å; G822-H824 VanDerWaalsContact O-CE1 3.26Å; G822-H824 PolarHBondContact O-NE2 2.88Å; H824-F832 HydrophobicContact CB-CD2 4.08Å; H824-F832 HydrophobicContact CB-CE2 3.65Å; H824-F832 HydrophobicContact CB-CZ 4.42Å; H824-F832 WeakPolarHBondContact O-CA 3.34Å; H824-T833 PolarHBondContact O-N 2.73Å
825	Y	97	Very high	93.2	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.2	167.5	-175.8	-104.9	0	0	0	111.3	F796 A798 F814 V817 N820 P827 G830 F832 F927	F796-Y825 HydrophobicContact CB-CG 4.36Å; F796-Y825 HydrophobicContact CD1-CD2 4.47Å; F796-Y825 HydrophobicContact CD2-CD1 4.12Å; F796-Y825 AromaticContact CD2-CD2 3.58Å; F796-Y825 HydrophobicContact CD2-CD2 3.58Å; F796-Y825 HydrophobicContact CD2-CE2 4.14Å; F796-Y825 AromaticContact CD2-CG 3.57Å; F796-Y825 HydrophobicContact CD2-CG 3.57Å; F796-Y825 HydrophobicContact CE1-CD2 4.35Å; F796-Y825 AromaticContact CE2-CD2 3.46Å; F796-Y825 HydrophobicContact CE2-CD2 3.46Å; F796-Y825 VanDerWaalsContact CE2-CD2 3.46Å; F796-Y825 AromaticContact CE2-CE2 3.69Å; F796-Y825 HydrophobicContact CE2-CE2 3.69Å; F796-Y825 AromaticContact CE2-CG 3.97Å; F796-Y825 HydrophobicContact CE2-CG 3.97Å; F796-Y825 HydrophobicContact CG-CD2 4.11Å; F796-Y825 AromaticContact CG-CG 3.95Å; F796-Y825 HydrophobicContact CG-CG 3.95Å; F796-Y825 AromaticContact CZ-CD2 3.88Å; F796-Y825 HydrophobicContact CZ-CD2 3.88Å; F796-Y825 HydrophobicContact CZ-CE2 4.22Å; A798-Y825 HydrophobicContact CB-CD1 4.24Å; A798-Y825 HydrophobicContact CB-CE1 3.67Å; F814-Y825 PolarHBondContact N-OH 2.8Å; V817-Y825 HydrophobicContact CG2-CD1 4.3Å; N820-Y825 PolarHBondContact ND2-O 3.22Å; N820-Y825 PolarHBondContact OD1-N 3.4Å; Y825-P827 HydrophobicContact CE1-CB 4.15Å; Y825-G830 VanDerWaalsContact CE2-C 3.5Å; Y825-G830 WeakPolarHBondContact CE2-O 3.47Å; Y825-G830 WeakPolarHBondContact OH-CA 3.39Å; Y825-G830 PolarHBondContact OH-O 2.98Å; Y825-F832 HydrophobicContact CD2-CB 4.11Å; Y825-F927 HydrophobicContact CE2-CD1 4.05Å; Y825-F927 HydrophobicContact CE2-CE1 4.14Å
826	D	94.8	Very high	93.4	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.9	170.1	169	40.5	0	0	0	111.5	H828 T829 G830 I831	D826-H828 VanDerWaalsContact C-N 3.26Å; D826-H828 PolarHBondContact O-N 2.82Å; D826-H828 WeakPolarHBondContact OD1-CB 3.41Å; D826-H828 IonicContact OD1-CE1 3.02Å; D826-H828 IonicContact OD1-CG 2.71Å; D826-H828 PolarHBondContact OD1-N 3.47Å; D826-H828 IonicContact OD1-ND1 2.97Å; D826-H828 PolarHBondContact OD1-ND1 3.24Å; D826-T829 VanDerWaalsContact OD2-CB 3.29Å; D826-T829 WeakPolarHBondContact OD2-CB 3.47Å; D826-T829 VanDerWaalsContact OD2-CG2 3.28Å; D826-T829 WeakPolarHBondContact OD2-CG2 3.46Å; D826-T829 PolarHBondContact OD2-N 3.05Å; D826-T829 PolarHBondContact OD2-OG1 3.11Å; D826-G830 WeakPolarHBondContact O-CA 3.47Å; D826-G830 PolarHBondContact O-N 3.35Å; D826-I831 PolarHBondContact N-O 3.3Å; D826-I831 PolarHBondContact O-N 3.23Å
827	P	92	Very high	93.4	Very high	33 Å²	33	45.7 Å²	45.7	21%	0.214	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.9	178.4	30.1	-36	0	0	0	114.1	V817 Y825	V817-P827 HydrophobicContact CG2-CB 3.77Å; V817-P827 HydrophobicContact CG2-CG 3.8Å; Y825-P827 HydrophobicContact CE1-CB 4.15Å
828	H	89.5	Confident	93.3	Very high	141 Å²	141	43 Å²	43	65%	0.653	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-31.2	179.2	-52.2	89.1	0	0	0	112.5	R813 D826	R813-H828 WeakPolarHBondContact CD-O 3.45Å; R813-H828 PolarHBondContact NH1-O 3.39Å; D826-H828 VanDerWaalsContact C-N 3.26Å; D826-H828 PolarHBondContact O-N 2.82Å; D826-H828 WeakPolarHBondContact OD1-CB 3.41Å; D826-H828 IonicContact OD1-CE1 3.02Å; D826-H828 IonicContact OD1-CG 2.71Å; D826-H828 PolarHBondContact OD1-N 3.47Å; D826-H828 IonicContact OD1-ND1 2.97Å; D826-H828 PolarHBondContact OD1-ND1 3.24Å
829	T	90.7	Very high	93.4	Very high	54 Å²	54	43.5 Å²	43.5	33%	0.331	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-19.8	173.2	56.4	0	0	0	0	113.6	I811 D826	I811-T829 WeakPolarHBondContact CG2-O 3.39Å; D826-T829 VanDerWaalsContact OD2-CB 3.29Å; D826-T829 WeakPolarHBondContact OD2-CB 3.47Å; D826-T829 VanDerWaalsContact OD2-CG2 3.28Å; D826-T829 WeakPolarHBondContact OD2-CG2 3.46Å; D826-T829 PolarHBondContact OD2-N 3.05Å; D826-T829 PolarHBondContact OD2-OG1 3.11Å
830	G	91.8	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	12.2	-176.8	0	0	0	0	0	114.3	Y825 D826	Y825-G830 VanDerWaalsContact CE2-C 3.5Å; Y825-G830 WeakPolarHBondContact CE2-O 3.47Å; Y825-G830 WeakPolarHBondContact OH-CA 3.39Å; Y825-G830 PolarHBondContact OH-O 2.98Å; D826-G830 WeakPolarHBondContact O-CA 3.47Å; D826-G830 PolarHBondContact O-N 3.35Å
831	I	94.9	Very high	93.4	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.082	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.5	-164.6	-63.5	170.7	0	0	0	111.5	I811 D826 R905 M906	I811-I831 HydrophobicContact CD1-CD1 3.96Å; I811-I831 HydrophobicContact CD1-CG1 4.43Å; I811-I831 HydrophobicContact CG2-CG1 4.3Å; D826-I831 PolarHBondContact N-O 3.3Å; D826-I831 PolarHBondContact O-N 3.23Å; I831-R905 HydrophobicContact CG2-CB 4.04Å; I831-M906 WeakPolarHBondContact CA-O 3.21Å
832	F	96.6	Very high	93.6	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.9	166.1	177.5	-104.9	0	0	0	110.4	V794 F796 H824 Y825 A834 Y840 M900 R905 M906	V794-F832 HydrophobicContact CG1-CE2 4.05Å; V794-F832 HydrophobicContact CG1-CZ 3.76Å; F796-F832 HydrophobicContact CD1-CB 4.23Å; F796-F832 AromaticContact CD1-CD2 3.29Å; F796-F832 HydrophobicContact CD1-CD2 3.29Å; F796-F832 AromaticContact CD1-CE2 3.76Å; F796-F832 HydrophobicContact CD1-CE2 3.76Å; F796-F832 AromaticContact CD1-CG 3.9Å; F796-F832 HydrophobicContact CD1-CG 3.9Å; F796-F832 HydrophobicContact CE1-CB 3.59Å; F796-F832 HydrophobicContact CE1-CD1 4.31Å; F796-F832 AromaticContact CE1-CD2 3.47Å; F796-F832 HydrophobicContact CE1-CD2 3.47Å; F796-F832 VanDerWaalsContact CE1-CD2 3.47Å; F796-F832 HydrophobicContact CE1-CE2 4.18Å; F796-F832 AromaticContact CE1-CG 3.53Å; F796-F832 HydrophobicContact CE1-CG 3.53Å; F796-F832 HydrophobicContact CG-CD2 4.29Å; F796-F832 HydrophobicContact CZ-CB 4.04Å; F796-F832 HydrophobicContact CZ-CG 4.46Å; H824-F832 HydrophobicContact CB-CD2 4.08Å; H824-F832 HydrophobicContact CB-CE2 3.65Å; H824-F832 HydrophobicContact CB-CZ 4.42Å; H824-F832 WeakPolarHBondContact O-CA 3.34Å; Y825-F832 HydrophobicContact CD2-CB 4.11Å; F832-A834 HydrophobicContact CE1-CB 4.08Å; F832-Y840 HydrophobicContact CE1-CD1 4.05Å; F832-Y840 AromaticContact CE1-CE1 3.91Å; F832-Y840 HydrophobicContact CE1-CE1 3.91Å; F832-Y840 HydrophobicContact CZ-CD1 4.08Å; F832-Y840 AromaticContact CZ-CE1 3.74Å; F832-Y840 HydrophobicContact CZ-CE1 3.74Å; F832-M900 HydrophobicContact CD1-CE 4.2Å; F832-M900 HydrophobicContact CD1-SD 4.35Å; F832-M900 HydrophobicContact CE1-CE 4.42Å; F832-M900 HydrophobicContact CE1-SD 4.25Å; F832-R905 CarbonylContact O-C 3.55Å; F832-R905 WeakPolarHBondContact O-CA 3.43Å; F832-M906 HydrophobicContact CB-CB 4.42Å; F832-M906 HydrophobicContact CB-CE 4.08Å; F832-M906 HydrophobicContact CD1-CB 4.44Å; F832-M906 HydrophobicContact CD1-CE 3.84Å; F832-M906 HydrophobicContact CG-CE 4.2Å; F832-M906 PolarHBondContact N-O 3.47Å; F832-M906 PolarHBondContact O-N 2.93Å
833	T	95.9	Very high	94	Very high	54 Å²	54	37.2 Å²	37.2	33%	0.331	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.8	172.8	-53.3	0	0	0	0	109.6	H824 P835 D904 R905	H824-T833 PolarHBondContact O-N 2.73Å; T833-P835 WeakPolarHBondContact O-CD 3.21Å; T833-D904 WeakPolarHBondContact CA-O 3.42Å; T833-R905 HydrophobicContact CG2-CG 4.26Å
834	A	94.9	Very high	94.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.181	C	C	.	.			trans	-65.2	122.4	-175.4	0	0	0	0	0	111.5	F832 Y840 M900 K901 Q902 G903 D904	F832-A834 HydrophobicContact CE1-CB 4.08Å; A834-Y840 HydrophobicContact CB-CE2 4.09Å; A834-M900 HydrophobicContact CB-CB 3.86Å; A834-M900 HydrophobicContact CB-CE 3.73Å; A834-M900 HydrophobicContact CB-SD 4.2Å; A834-K901 WeakPolarHBondContact CB-O 3.44Å; A834-Q902 WeakPolarHBondContact O-CA 3.41Å; A834-G903 PolarHBondContact O-N 2.92Å; A834-D904 PolarHBondContact N-O 3.19Å
835	P	92.6	Very high	94.2	Very high	19 Å²	19	35 Å²	35	12%	0.123	19%	0.185	C	C	.	.	S	Bend	trans	-79.2	-22.5	-178.9	31.7	-37.9	0	0	0	113.7	V794 T833 Q902	V794-P835 HydrophobicContact CB-CG 4.28Å; V794-P835 HydrophobicContact CG1-CG 3.77Å; V794-P835 HydrophobicContact CG2-CG 3.52Å; T833-P835 WeakPolarHBondContact O-CD 3.21Å; P835-Q902 WeakPolarHBondContact O-CG 3.35Å; P835-Q902 PolarHBondContact O-NE2 2.84Å
836	T	91.8	Very high	94.1	Very high	28 Å²	28	34.8 Å²	34.8	17%	0.172	19%	0.185	C	C	.	.	S	Bend	trans	-142.6	149.1	-175.7	60.7	0	0	0	0	111	G838 Y840	T836-G838 PolarHBondContact O-N 3.38Å; T836-Y840 PolarHBondContact O-OH 2.94Å; T836-Y840 PolarHBondContact OG1-OH 3.27Å
837	D	93.2	Very high	93.9	Very high	60 Å²	60	33.2 Å²	33.2	32%	0.321	18%	0.177	S	C	.	.	S	Bend	trans	-55.8	128	165.7	-71.5	17.8	0	0	0	110.2	M900 K901 Q902 S934 S935	D837-M900 WeakPolarHBondContact CA-O 3.34Å; D837-K901 VanDerWaalsContact OD1-CA 3.29Å; D837-K901 WeakPolarHBondContact OD1-CA 3.41Å; D837-Q902 PolarHBondContact OD1-N 2.98Å; D837-S934 CarbonylContact O-C 3.52Å; D837-S934 VanDerWaalsContact O-CA 3.29Å; D837-S934 WeakPolarHBondContact O-CA 3.25Å; D837-S935 PolarHBondContact O-N 3.25Å
838	G	92.6	Very high	93.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	179.8	-176.4	0	0	0	0	0	115.1	T836 M900 Y933	T836-G838 PolarHBondContact O-N 3.38Å; G838-M900 PolarHBondContact N-O 2.8Å; G838-M900 PolarHBondContact O-N 3.15Å; G838-Y933 WeakPolarHBondContact CA-O 3.28Å
839	R	93.9	Very high	93.5	Very high	109 Å²	109	29.2 Å²	29.2	41%	0.411	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.6	171.1	-67.6	-144.2	-83.2	-126.6	3.6	110.5	V897 V898 S899 L932 Y933	R839-V897 HydrophobicContact CB-CG1 4.04Å; R839-V898 WeakPolarHBondContact CA-O 3.39Å; R839-S899 WeakPolarHBondContact CD-OG 3.3Å; R839-L932 WeakPolarHBondContact O-CB 3.39Å; R839-L932 PolarHBondContact O-N 3.44Å; R839-Y933 HydrophobicContact CB-CD2 4.45Å; R839-Y933 HydrophobicContact CB-CE2 4.02Å; R839-Y933 HydrophobicContact CG-CE2 4.1Å; R839-Y933 PolarHBondContact N-O 3.04Å; R839-Y933 PolarHBondContact NE-OH 2.73Å; R839-Y933 PolarHBondContact NH2-OH 2.9Å
840	Y	95.1	Very high	93	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.7	-176.3	-64.6	-97	0	0	0	108.9	V794 F832 A834 T836 V897 V898 M900 V930 L931	V794-Y840 HydrophobicContact CG1-CE1 3.93Å; F832-Y840 HydrophobicContact CE1-CD1 4.05Å; F832-Y840 AromaticContact CE1-CE1 3.91Å; F832-Y840 HydrophobicContact CE1-CE1 3.91Å; F832-Y840 HydrophobicContact CZ-CD1 4.08Å; F832-Y840 AromaticContact CZ-CE1 3.74Å; F832-Y840 HydrophobicContact CZ-CE1 3.74Å; A834-Y840 HydrophobicContact CB-CE2 4.09Å; T836-Y840 PolarHBondContact O-OH 2.94Å; T836-Y840 PolarHBondContact OG1-OH 3.27Å; Y840-V897 CarbonylContact O-C 3.33Å; Y840-V897 WeakPolarHBondContact O-CA 3.27Å; Y840-V898 PolarHBondContact N-O 2.88Å; Y840-V898 PolarHBondContact O-N 3.4Å; Y840-M900 HydrophobicContact CD2-CB 3.8Å; Y840-M900 HydrophobicContact CD2-CG 4.02Å; Y840-M900 HydrophobicContact CD2-SD 4.1Å; Y840-M900 HydrophobicContact CE2-CB 3.79Å; Y840-M900 HydrophobicContact CE2-CG 4.47Å; Y840-M900 HydrophobicContact CG-SD 4.34Å; Y840-V930 CarbonylContact C-O 3.51Å; Y840-V930 VanDerWaalsContact CA-O 3.3Å; Y840-V930 WeakPolarHBondContact CA-O 3.28Å; Y840-L931 HydrophobicContact CD1-CB 3.98Å; Y840-L931 HydrophobicContact CD1-CD1 4.3Å; Y840-L931 HydrophobicContact CD2-CD1 4.42Å; Y840-L931 HydrophobicContact CE1-CB 3.75Å; Y840-L931 HydrophobicContact CE1-CD1 3.91Å; Y840-L931 HydrophobicContact CE1-CG 4.33Å; Y840-L931 HydrophobicContact CE2-CD1 4.03Å
841	L	96.6	Very high	92.1	Very high	55 Å²	55	36.3 Å²	36.3	29%	0.288	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.5	164.5	173.1	62.7	0	0	0	107.5	T843 V897 A929 V930 L932	L841-T843 HydrophobicContact CD1-CG2 4.34Å; L841-T843 HydrophobicContact CG-CG2 4.31Å; L841-V897 HydrophobicContact CD1-CG2 4.11Å; L841-A929 CarbonylContact O-C 3.57Å; L841-A929 WeakPolarHBondContact O-CA 3.4Å; L841-A929 WeakPolarHBondContact O-CB 3.43Å; L841-V930 HydrophobicContact CB-CG1 4.04Å; L841-V930 HydrophobicContact CD2-CG1 4.47Å; L841-V930 PolarHBondContact N-O 3.47Å; L841-V930 PolarHBondContact O-N 2.88Å; L841-L932 HydrophobicContact CB-CD1 4.13Å; L841-L932 HydrophobicContact CB-CD2 3.86Å; L841-L932 HydrophobicContact CB-CG 4.03Å
842	V	97.1	Very high	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.6	-179.3	-172.1	0	0	0	0	108	L858 L894 S895 L896 V898 M906 F927 A929	V842-L858 HydrophobicContact CG1-CD1 4.21Å; V842-L858 HydrophobicContact CG1-CD2 4.3Å; V842-L894 HydrophobicContact CB-CD1 4.45Å; V842-L894 HydrophobicContact CG1-CD1 4.25Å; V842-L894 WeakPolarHBondContact O-CD1 3.15Å; V842-S895 WeakPolarHBondContact O-CA 3.5Å; V842-L896 PolarHBondContact N-O 2.92Å; V842-L896 PolarHBondContact O-N 3.33Å; V842-V898 HydrophobicContact CB-CG2 4.38Å; V842-V898 HydrophobicContact CG2-CB 4.05Å; V842-V898 HydrophobicContact CG2-CG2 3.7Å; V842-M906 HydrophobicContact CB-SD 4.27Å; V842-M906 HydrophobicContact CG1-CE 3.87Å; V842-M906 HydrophobicContact CG1-SD 3.67Å; V842-M906 HydrophobicContact CG2-CE 3.93Å; V842-M906 HydrophobicContact CG2-SD 3.54Å; V842-M906 VanDerWaalsContact CG2-SD 3.54Å; V842-F927 HydrophobicContact CG1-CE2 3.76Å; V842-A929 HydrophobicContact CB-CB 4.38Å; V842-A929 HydrophobicContact CG1-CB 4.44Å; V842-A929 HydrophobicContact CG2-CB 4.07Å
843	T	97.1	Very high	90.9	Very high	45 Å²	45	41.6 Å²	41.6	28%	0.276	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.3	173.9	74.9	0	0	0	0	111.4	L841 L894 S928	L841-T843 HydrophobicContact CD1-CG2 4.34Å; L841-T843 HydrophobicContact CG-CG2 4.31Å; T843-L894 VanDerWaalsContact CA-O 3.25Å; T843-L894 WeakPolarHBondContact CA-O 3.43Å; T843-S928 PolarHBondContact N-O 3.31Å; T843-S928 PolarHBondContact O-N 2.79Å; T843-S928 VanDerWaalsContact O-O 3.09Å; T843-S928 PolarHBondContact OG1-OG 3.07Å
844	A	95.9	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.8	175.8	0	0	0	0	0	110.5	S893 L894 L908 S926 F927	A844-S893 CarbonylContact O-C 3.53Å; A844-S893 WeakPolarHBondContact O-CA 3.24Å; A844-S893 VanDerWaalsContact O-CB 3.24Å; A844-S893 WeakPolarHBondContact O-CB 3.42Å; A844-L894 HydrophobicContact CB-CD2 3.77Å; A844-L894 HydrophobicContact CB-CG 3.86Å; A844-L894 PolarHBondContact N-O 2.98Å; A844-L894 VanDerWaalsContact N-O 3.09Å; A844-L894 PolarHBondContact O-N 3.42Å; A844-L908 HydrophobicContact CB-CD1 4.11Å; A844-L908 HydrophobicContact CB-CD2 3.98Å; A844-S926 CarbonylContact C-O 3.44Å; A844-S926 WeakPolarHBondContact CA-O 3.47Å; A844-F927 HydrophobicContact CB-CD2 3.98Å
845	V	94.9	Very high	90.3	Very high	57 Å²	57	41.8 Å²	41.8	35%	0.345	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	170.5	-177.8	0	0	0	0	107.5	S925 S926	V845-S925 CarbonylContact O-C 3.55Å; V845-S925 WeakPolarHBondContact O-CA 3.34Å; V845-S925 WeakPolarHBondContact O-CB 3.28Å; V845-S926 PolarHBondContact N-O 3.34Å; V845-S926 PolarHBondContact O-N 3.13Å
846	L	93.1	Very high	90.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.3	175.2	-60.2	-178.7	0	0	0	109.3	I812 F814 V854 A856 S891 T892 L908 L915	I812-L846 HydrophobicContact CD1-CD1 4.2Å; I812-L846 HydrophobicContact CD1-CD2 4.1Å; F814-L846 HydrophobicContact CE1-CD2 4.35Å; F814-L846 HydrophobicContact CZ-CD2 3.96Å; L846-V854 HydrophobicContact CB-CG1 4.23Å; L846-V854 HydrophobicContact CD1-CG1 3.95Å; L846-A856 HydrophobicContact CD1-CB 3.42Å; L846-A856 VanDerWaalsContact CD1-CB 3.42Å; L846-S891 CarbonylContact O-C 3.47Å; L846-S891 WeakPolarHBondContact O-CA 3.4Å; L846-S891 WeakPolarHBondContact O-CB 3.38Å; L846-T892 HydrophobicContact CB-CG2 3.93Å; L846-T892 HydrophobicContact CD1-CG2 4.34Å; L846-T892 PolarHBondContact N-O 3.44Å; L846-T892 PolarHBondContact O-N 2.84Å; L846-L908 HydrophobicContact CD1-CD2 3.85Å; L846-L908 HydrophobicContact CD2-CD2 3.85Å; L846-L908 HydrophobicContact CG-CD2 4.03Å; L846-L915 HydrophobicContact CB-CD2 3.81Å; L846-L915 HydrophobicContact CD1-CD2 4.34Å; L846-L915 HydrophobicContact CD2-CD1 4.25Å; L846-L915 HydrophobicContact CD2-CD2 3.89Å; L846-L915 HydrophobicContact CG-CD2 4.23Å
847	V	90.9	Very high	90.4	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.127	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.9	177.3	-178.4	0	0	0	0	108.7	C888 G890 L915 A916 L924 S925	V847-C888 HydrophobicContact CG1-CB 3.99Å; V847-C888 WeakPolarHBondContact CG1-SG 3.48Å; V847-G890 WeakPolarHBondContact CA-O 3.21Å; V847-L915 CarbonylContact O-C 3.53Å; V847-L915 WeakPolarHBondContact O-CA 3.47Å; V847-A916 HydrophobicContact CB-CB 4.41Å; V847-A916 HydrophobicContact CG1-CB 4.03Å; V847-A916 PolarHBondContact O-N 2.75Å; V847-L924 HydrophobicContact CB-CB 4.27Å; V847-L924 HydrophobicContact CG2-CB 4.3Å; V847-L924 VanDerWaalsContact CG2-O 3.23Å; V847-L924 WeakPolarHBondContact CG2-O 3.43Å; V847-S925 PolarHBondContact N-OG 3.36Å
848	A	89.4	Confident	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.4	-179.7	0	0	0	0	0	111.8	V854 C888 S889 G890	A848-V854 HydrophobicContact CB-CB 4.11Å; A848-V854 HydrophobicContact CB-CG2 3.57Å; A848-C888 WeakPolarHBondContact O-CA 3.29Å; A848-S889 WeakPolarHBondContact CB-OG 3.25Å; A848-S889 PolarHBondContact O-N 3.44Å; A848-S889 PolarHBondContact O-OG 3.1Å; A848-G890 PolarHBondContact N-O 2.68Å
849	Q	85.1	Confident	90.5	Very high	91 Å²	91	38.2 Å²	38.2	43%	0.425	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.5	171.3	-179.6	176.2	4.5	0	0	110.4	G851 E852 S889 K914	Q849-G851 PolarHBondContact O-N 3.04Å; Q849-E852 HydrophobicContact CB-CG 4.23Å; Q849-E852 VanDerWaalsContact O-CB 3.29Å; Q849-E852 WeakPolarHBondContact O-CB 3.46Å; Q849-E852 PolarHBondContact O-N 3.44Å; Q849-S889 PolarHBondContact O-OG 2.97Å; Q849-K914 HydrophobicContact CB-CB 4.44Å; Q849-K914 PolarHBondContact N-O 3.45Å
850	R	80.1	Confident	90.5	Very high	148 Å²	148	33.8 Å²	33.8	56%	0.558	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	123.4	-178.4	171.6	-173.1	-90.1	-163.8	-3.8	111.3	A879 G887	R850-A879 PolarHBondContact NH1-O 2.92Å; R850-G887 VanDerWaalsContact CB-C 3.45Å; R850-G887 WeakPolarHBondContact CB-O 3.49Å; R850-G887 PolarHBondContact N-O 3.42Å
851	G	73.3	Confident	90.1	Very high	55 Å²	55	36.3 Å²	36.3	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-12.2	-179.1	0	0	0	0	0	114.6	Q849	Q849-G851 PolarHBondContact O-N 3.04Å
852	E	81.4	Confident	89.1	Confident	53 Å²	53	41 Å²	41	25%	0.248	22%	0.223	C	C	.	.			trans	-98.5	155.3	178.4	-57.4	-89.5	169.8	0	0	111	Q849 S889 K914	Q849-E852 HydrophobicContact CB-CG 4.23Å; Q849-E852 VanDerWaalsContact O-CB 3.29Å; Q849-E852 WeakPolarHBondContact O-CB 3.46Å; Q849-E852 PolarHBondContact O-N 3.44Å; E852-S889 PolarHBondContact O-OG 2.96Å; E852-K914 VanDerWaalsContact CD-NZ 3.25Å; E852-K914 HydrophobicContact CG-CB 4.05Å; E852-K914 HydrophobicContact CG-CG 4.37Å; E852-K914 WeakPolarHBondContact OE1-CD 3.4Å; E852-K914 IonicContact OE1-NZ 2.93Å; E852-K914 PolarHBondContact OE1-NZ 2.81Å; E852-K914 IonicContact OE2-NZ 2.65Å; E852-K914 PolarHBondContact OE2-NZ 3.29Å
853	K	84.8	Confident	88.3	Confident	74 Å²	74	42.6 Å²	42.6	32%	0.322	24%	0.239	S	C	.	.			trans	-116.1	122.3	171.9	-172.6	-151.7	-175.7	-143.8	0	108	E855 D869 S870 G913	K853-E855 IonicContact NZ-OE1 2.77Å; K853-E855 PolarHBondContact NZ-OE1 3.29Å; K853-D869 WeakPolarHBondContact CE-OD1 3.31Å; K853-D869 IonicContact NZ-OD1 3.18Å; K853-D869 PolarHBondContact NZ-OD1 3.01Å; K853-D869 IonicContact NZ-OD2 3.77Å; K853-D869 PolarHBondContact NZ-OD2 2.84Å; K853-S870 VanDerWaalsContact CG-O 3.31Å; K853-S870 WeakPolarHBondContact CG-O 3.44Å; K853-G913 WeakPolarHBondContact O-CA 3.49Å
854	V	88.3	Confident	87.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.257	C	S	.	.			trans	-96.1	124.4	-177.6	164.3	0	0	0	0	111.2	L846 A848 S870 L910 K914 L915	L846-V854 HydrophobicContact CB-CG1 4.23Å; L846-V854 HydrophobicContact CD1-CG1 3.95Å; A848-V854 HydrophobicContact CB-CB 4.11Å; A848-V854 HydrophobicContact CB-CG2 3.57Å; V854-S870 PolarHBondContact N-OG 3.16Å; V854-S870 PolarHBondContact O-N 3.18Å; V854-S870 PolarHBondContact O-OG 2.92Å; V854-L910 HydrophobicContact CG1-CD1 3.88Å; V854-K914 WeakPolarHBondContact CG2-O 3.46Å; V854-L915 HydrophobicContact CG1-CD2 3.87Å; V854-L915 HydrophobicContact CG2-CD2 3.99Å
855	E	90.3	Very high	87.5	Confident	58 Å²	58	50.1 Å²	50.1	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.5	168.7	-62.9	176.5	-171.4	0	0	109.1	K853 L868 L910 T911 A912	K853-E855 IonicContact NZ-OE1 2.77Å; K853-E855 PolarHBondContact NZ-OE1 3.29Å; E855-L868 WeakPolarHBondContact CA-O 3.43Å; E855-L910 WeakPolarHBondContact O-CD1 3.34Å; E855-T911 VanDerWaalsContact C-OG1 3.3Å; E855-T911 WeakPolarHBondContact CB-OG1 3.37Å; E855-T911 PolarHBondContact O-N 3.4Å; E855-T911 PolarHBondContact O-OG1 3.34Å; E855-A912 HydrophobicContact CB-CB 4.07Å; E855-A912 HydrophobicContact CG-CB 4.33Å; E855-A912 PolarHBondContact N-O 3.26Å; E855-A912 PolarHBondContact O-N 2.7Å
856	A	92.2	Very high	87.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.1	-179	0	0	0	0	0	112.6	I812 L846 M867 L868 M909	I812-A856 HydrophobicContact CD1-CB 4.39Å; L846-A856 HydrophobicContact CD1-CB 3.42Å; L846-A856 VanDerWaalsContact CD1-CB 3.42Å; A856-M867 CarbonylContact O-C 3.59Å; A856-M867 WeakPolarHBondContact O-CA 3.47Å; A856-L868 HydrophobicContact CB-CB 4.49Å; A856-L868 PolarHBondContact N-O 2.84Å; A856-L868 PolarHBondContact O-N 3.44Å; A856-M909 CarbonylContact C-O 3.58Å; A856-M909 WeakPolarHBondContact CA-O 3.41Å; A856-M909 WeakPolarHBondContact CB-O 3.28Å
857	V	92.8	Very high	87	Confident	8 Å²	8	56.5 Å²	56.5	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.6	-176.4	177.7	0	0	0	0	110.6	I864 Q866 M867 M909 T911	V857-I864 HydrophobicContact CG1-CB 4.21Å; V857-I864 HydrophobicContact CG1-CD1 4.33Å; V857-I864 HydrophobicContact CG1-CG1 3.92Å; V857-I864 HydrophobicContact CG1-CG2 3.7Å; V857-Q866 WeakPolarHBondContact CA-O 3.34Å; V857-M867 HydrophobicContact CG2-CG 4.26Å; V857-M909 PolarHBondContact N-O 2.95Å; V857-M909 PolarHBondContact O-N 3.32Å; V857-T911 HydrophobicContact CG2-CG2 3.92Å
858	L	95.2	Very high	87	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.5	164.3	176.9	65.8	0	0	0	108.9	V842 I865 Q866 L894 M906 L908 F927	V842-L858 HydrophobicContact CG1-CD1 4.21Å; V842-L858 HydrophobicContact CG1-CD2 4.3Å; L858-I865 HydrophobicContact CD2-CB 4.34Å; L858-I865 HydrophobicContact CD2-CG2 4.23Å; L858-I865 HydrophobicContact CG-CB 4.33Å; L858-I865 PolarHBondContact O-N 3.3Å; L858-Q866 HydrophobicContact CB-CB 4.45Å; L858-Q866 PolarHBondContact N-O 3.5Å; L858-L894 HydrophobicContact CB-CD2 4.01Å; L858-L894 HydrophobicContact CD2-CD1 4.12Å; L858-L894 HydrophobicContact CD2-CD2 4.04Å; L858-L894 HydrophobicContact CG-CD2 4.45Å; L858-M906 HydrophobicContact CD1-CG 3.83Å; L858-M906 HydrophobicContact CD1-SD 4.04Å; L858-L908 HydrophobicContact CB-CD1 4Å; L858-L908 HydrophobicContact CD1-CD1 3.76Å; L858-L908 HydrophobicContact CG-CD1 4.48Å; L858-F927 HydrophobicContact CD1-CE2 4.24Å; L858-F927 HydrophobicContact CD1-CZ 4.38Å
859	S	93.1	Very high	86.9	Confident	25 Å²	25	59.2 Å²	59.2	18%	0.175	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.1	176.4	-174.9	0	0	0	0	112.1	G863 M906 G907	S859-G863 CarbonylContact C-O 3.58Å; S859-G863 WeakPolarHBondContact CA-O 3.36Å; S859-G863 WeakPolarHBondContact CB-O 3.46Å; S859-G863 PolarHBondContact OG-O 3.33Å; S859-M906 VanDerWaalsContact O-CA 3.31Å; S859-M906 WeakPolarHBondContact O-CA 3.4Å; S859-G907 PolarHBondContact N-O 2.94Å; S859-G907 PolarHBondContact O-N 3.24Å
860	V	93.8	Very high	86.9	Confident	16 Å²	16	55 Å²	55	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.8	173.8	175.5	0	0	0	0	108.6	N862 G863 I865 V898 M900 D904 R905 M906	V860-N862 PolarHBondContact O-N 2.93Å; V860-G863 PolarHBondContact N-O 2.96Å; V860-G863 WeakPolarHBondContact O-CA 3.33Å; V860-G863 PolarHBondContact O-N 2.93Å; V860-I865 HydrophobicContact CB-CD1 4.19Å; V860-I865 HydrophobicContact CB-CG1 3.85Å; V860-I865 HydrophobicContact CG2-CD1 4.47Å; V860-I865 HydrophobicContact CG2-CG1 3.72Å; V860-V898 HydrophobicContact CG2-CG1 4.15Å; V860-M900 HydrophobicContact CG1-CE 4.17Å; V860-M900 HydrophobicContact CG1-CG 4.34Å; V860-D904 HydrophobicContact CG1-CB 4.35Å; V860-R905 CarbonylContact C-O 3.58Å; V860-R905 WeakPolarHBondContact CA-O 3.24Å; V860-M906 HydrophobicContact CG2-CB 4.05Å; V860-M906 HydrophobicContact CG2-CG 3.82Å; V860-M906 HydrophobicContact CG2-SD 4.27Å
861	S	87.4	Confident	86.3	Confident	54 Å²	54	52 Å²	52	38%	0.378	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.6	-178.5	-65.1	0	0	0	0	113	G863 D904 R905	S861-G863 PolarHBondContact O-N 3.3Å; S861-D904 WeakPolarHBondContact CB-OD1 3.47Å; S861-D904 WeakPolarHBondContact OG-CA 3.48Å; S861-D904 WeakPolarHBondContact OG-CB 3.48Å; S861-D904 VanDerWaalsContact OG-CG 3.32Å; S861-D904 PolarHBondContact OG-OD1 2.96Å; S861-R905 PolarHBondContact N-O 2.88Å; S861-R905 PolarHBondContact OG-N 3.12Å
862	N	75.9	Confident	85.4	Confident	153 Å²	153	51.7 Å²	51.7	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	1.5	-175.6	-52.3	-14.5	0	0	0	115.8	V860	V860-N862 PolarHBondContact O-N 2.93Å
863	G	79.5	Confident	84	Confident	33 Å²	33	56 Å²	56	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.5	165	0	0	0	0	0	111.4	S859 V860 S861	S859-G863 CarbonylContact C-O 3.58Å; S859-G863 WeakPolarHBondContact CA-O 3.36Å; S859-G863 WeakPolarHBondContact CB-O 3.46Å; S859-G863 PolarHBondContact OG-O 3.33Å; V860-G863 PolarHBondContact N-O 2.96Å; V860-G863 WeakPolarHBondContact O-CA 3.33Å; V860-G863 PolarHBondContact O-N 2.93Å; S861-G863 PolarHBondContact O-N 3.3Å
864	I	86.8	Confident	82	Confident	127 Å²	127	57.8 Å²	57.8	65%	0.651	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	171.4	-67.2	-178	0	0	0	108.4	V857	V857-I864 HydrophobicContact CG1-CB 4.21Å; V857-I864 HydrophobicContact CG1-CD1 4.33Å; V857-I864 HydrophobicContact CG1-CG1 3.92Å; V857-I864 HydrophobicContact CG1-CG2 3.7Å
865	I	89.1	Confident	79.5	Confident	78 Å²	78	62.8 Å²	62.8	40%	0.4	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-44.7	-179.3	-56.7	-57.6	0	0	0	111.6	L858 V860 L896 V898	L858-I865 HydrophobicContact CD2-CB 4.34Å; L858-I865 HydrophobicContact CD2-CG2 4.23Å; L858-I865 HydrophobicContact CG-CB 4.33Å; L858-I865 PolarHBondContact O-N 3.3Å; V860-I865 HydrophobicContact CB-CD1 4.19Å; V860-I865 HydrophobicContact CB-CG1 3.85Å; V860-I865 HydrophobicContact CG2-CD1 4.47Å; V860-I865 HydrophobicContact CG2-CG1 3.72Å; I865-L896 HydrophobicContact CG2-CD2 3.57Å; I865-V898 HydrophobicContact CG2-CG2 4.49Å
866	Q	89.6	Confident	77.1	Confident	67 Å²	67	68.9 Å²	68.9	31%	0.313	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.1	179.9	-176.5	169.6	6.5	0	0	110.4	V857 L858	V857-Q866 WeakPolarHBondContact CA-O 3.34Å; L858-Q866 HydrophobicContact CB-CB 4.45Å; L858-Q866 PolarHBondContact N-O 3.5Å
867	M	88.8	Confident	74.6	Confident	125 Å²	125	74.9 Å²	74.9	62%	0.616	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.4	168.4	-167.3	170.4	79.1	0	0	109.8	A856 V857	A856-M867 CarbonylContact O-C 3.59Å; A856-M867 WeakPolarHBondContact O-CA 3.47Å; V857-M867 HydrophobicContact CG2-CG 4.26Å
868	L	89.6	Confident	72.3	Confident	4 Å²	4	81.7 Å²	81.7	2%	0.021	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.1	174.8	-64.2	90.1	0	0	0	107.9	E855 A856 T892 L894	E855-L868 WeakPolarHBondContact CA-O 3.43Å; A856-L868 HydrophobicContact CB-CB 4.49Å; A856-L868 PolarHBondContact N-O 2.84Å; A856-L868 PolarHBondContact O-N 3.44Å; L868-T892 HydrophobicContact CB-CG2 3.87Å; L868-T892 HydrophobicContact CD2-CG2 4.19Å; L868-L894 HydrophobicContact CD1-CD2 3.79Å; L868-L894 HydrophobicContact CD2-CB 4.11Å; L868-L894 HydrophobicContact CD2-CD2 4.07Å; L868-L894 HydrophobicContact CD2-CG 4.49Å; L868-L894 HydrophobicContact CG-CB 4.49Å; L868-L894 HydrophobicContact CG-CD2 4.36Å
869	D	87.6	Confident	69.8	Low	74 Å²	74	84 Å²	84	40%	0.396	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.1	174.3	-166	-5.4	0	0	0	108.9	K853 T892	K853-D869 WeakPolarHBondContact CE-OD1 3.31Å; K853-D869 IonicContact NZ-OD1 3.18Å; K853-D869 PolarHBondContact NZ-OD1 3.01Å; K853-D869 IonicContact NZ-OD2 3.77Å; K853-D869 PolarHBondContact NZ-OD2 2.84Å; D869-T892 WeakPolarHBondContact O-CB 3.29Å; D869-T892 PolarHBondContact O-OG1 3.27Å
870	S	85.8	Confident	67.4	Low	2 Å²	2	88.5 Å²	88.5	1%	0.014	53%	0.53	C	S	.	.			trans	-106.8	134.8	172.1	71.8	0	0	0	0	110	K853 V854 G872	K853-S870 VanDerWaalsContact CG-O 3.31Å; K853-S870 WeakPolarHBondContact CG-O 3.44Å; V854-S870 PolarHBondContact N-OG 3.16Å; V854-S870 PolarHBondContact O-N 3.18Å; V854-S870 PolarHBondContact O-OG 2.92Å; S870-G872 PolarHBondContact O-N 2.78Å; S870-G872 VanDerWaalsContact O-N 3.12Å
871	A	67.7	Low	65.1	Low	86 Å²	86	93.1 Å²	93.1	71%	0.711	56%	0.56	S	S	*	*			trans	-53.1	121.3	171.5	0	0	0	0	0	110.7
872	G	54.1	Low	63	Low	48 Å²	48	93.5 Å²	93.5	50%	0.495	56%	0.563	S	S	.	*			trans	-76.9	154.2	177.8	0	0	0	0	0	111.7	S870	S870-G872 PolarHBondContact O-N 2.78Å; S870-G872 VanDerWaalsContact O-N 3.12Å
873	F	52.2	Low	61.8	Low	144 Å²	144	92.5 Å²	92.5	63%	0.632	57%	0.565	S	S	*	*			trans	-106.3	126.5	-177.8	-153.9	-84.2	0	0	0	110.7	S875	F873-S875 PolarHBondContact O-N 3.43Å
874	S	42.2	Very low	60.1	Low	110 Å²	110	99.5 Å²	99.5	77%	0.769	59%	0.589	S	S	*	*			trans	-71.6	120.3	169.9	37.8	0	0	0	0	109.8	E876	S874-E876 PolarHBondContact O-N 3.01Å
875	S	36.5	Very low	58.5	Low	107 Å²	107	100.9 Å²	100.9	75%	0.748	59%	0.593	S	S	*	*			trans	-86.8	91.7	-165.2	171.4	0	0	0	0	113.7	F873	F873-S875 PolarHBondContact O-N 3.43Å
876	E	40.1	Very low	57	Low	185 Å²	185	100 Å²	100	86%	0.864	59%	0.592	S	S	*	*			trans	-149.2	59.1	164.1	-149.1	162.2	-128.2	0	0	116.8	S874	S874-E876 PolarHBondContact O-N 3.01Å
877	V	38.6	Very low	55.6	Low	126 Å²	126	98.5 Å²	98.5	76%	0.764	60%	0.595	S	S	*	*			trans	-140.3	113.6	151.5	-178.3	0	0	0	0	110.6	A879	V877-A879 HydrophobicContact CG1-CB 4.49Å; V877-A879 PolarHBondContact O-N 3.37Å
878	T	45.5	Very low	54.9	Low	151 Å²	151	94.7 Å²	94.7	93%	0.926	58%	0.581	S	S	*	*			trans	-89.1	85	177.5	-56.7	0	0	0	0	111.1
879	A	41.1	Very low	53.8	Low	49 Å²	49	95.7 Å²	95.7	41%	0.405	59%	0.587	S	S	.	*			trans	-109.3	122	170	0	0	0	0	0	110.7	R850 V877	R850-A879 PolarHBondContact NH1-O 2.92Å; V877-A879 HydrophobicContact CG1-CB 4.49Å; V877-A879 PolarHBondContact O-N 3.37Å
880	P	44.5	Very low	53.3	Low	119 Å²	119	93.2 Å²	93.2	77%	0.773	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-68.2	149	178.9	29.8	-34.9	0	0	0	111.1
881	P	43.9	Very low	53.5	Low	113 Å²	113	96.9 Å²	96.9	73%	0.734	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-74.3	138.1	-174.9	30.1	-34.9	0	0	0	112.4
882	S	44.5	Very low	54.6	Low	62 Å²	62	93.7 Å²	93.7	43%	0.434	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-68.7	146.8	150.3	54.8	0	0	0	0	108.9	E884	S882-E884 PolarHBondContact O-N 2.96Å
883	P	49.2	Very low	56.5	Low	132 Å²	132	95.2 Å²	95.2	86%	0.857	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	2.9	-171.2	27.8	-34.4	0	0	0	115.3
884	E	45.4	Very low	58.5	Low	181 Å²	181	88.8 Å²	88.8	85%	0.846	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	1.7	-168.5	-60.5	-171.8	154.9	0	0	114.8	S882	S882-E884 PolarHBondContact O-N 2.96Å
885	Q	52.4	Low	61	Low	156 Å²	156	87.8 Å²	87.8	73%	0.729	55%	0.545	S	S	*	.	S	Bend	trans	-121.3	141.4	-179.9	-72.1	-178.3	-15.3	0	0	112.4	G887	Q885-G887 PolarHBondContact O-N 3.44Å
886	C	57	Low	63.7	Low	58 Å²	58	85.5 Å²	85.5	39%	0.392	52%	0.524	S	S	.	.			trans	-63.9	122.8	176.8	-177.3	0	0	0	0	111.4	C888 L924	C886-C888 HydrophobicContact CB-CB 4.05Å; C886-C888 WeakPolarHBondContact CB-SG 3.39Å; C886-C888 PolarHBondContact O-N 2.95Å; C886-C888 WeakPolarHBondContact SG-CB 3.42Å; C886-C888 PolarHBondContact SG-N 3.15Å; C886-C888 CovalentContact SG-SG 2.05Å; C886-C888 PolarHBondContact SG-SG 3.19Å; C886-L924 HydrophobicContact CB-CD1 4.41Å
887	G	60.3	Low	66.4	Low	36 Å²	36	80.1 Å²	80.1	37%	0.371	50%	0.504	S	S	.	.			trans	-68.1	82	152.6	0	0	0	0	0	110	R850 Q885	R850-G887 VanDerWaalsContact CB-C 3.45Å; R850-G887 WeakPolarHBondContact CB-O 3.49Å; R850-G887 PolarHBondContact N-O 3.42Å; Q885-G887 PolarHBondContact O-N 3.44Å
888	C	73.8	Confident	69	Low	46 Å²	46	74.6 Å²	74.6	31%	0.311	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.3	177.7	-76.9	0	0	0	0	109.1	V847 A848 C886	V847-C888 HydrophobicContact CG1-CB 3.99Å; V847-C888 WeakPolarHBondContact CG1-SG 3.48Å; A848-C888 WeakPolarHBondContact O-CA 3.29Å; C886-C888 HydrophobicContact CB-CB 4.05Å; C886-C888 WeakPolarHBondContact CB-SG 3.39Å; C886-C888 PolarHBondContact O-N 2.95Å; C886-C888 WeakPolarHBondContact SG-CB 3.42Å; C886-C888 PolarHBondContact SG-N 3.15Å; C886-C888 CovalentContact SG-SG 2.05Å; C886-C888 PolarHBondContact SG-SG 3.19Å
889	S	67.9	Low	71.2	Confident	24 Å²	24	71.3 Å²	71.3	17%	0.168	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-32.9	-179.9	43.4	0	0	0	0	114.8	A848 Q849 E852	A848-S889 WeakPolarHBondContact CB-OG 3.25Å; A848-S889 PolarHBondContact O-N 3.44Å; A848-S889 PolarHBondContact O-OG 3.1Å; Q849-S889 PolarHBondContact O-OG 2.97Å; E852-S889 PolarHBondContact O-OG 2.96Å
890	G	77.5	Confident	73.7	Confident	22 Å²	22	69.2 Å²	69.2	23%	0.227	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	174.3	-173.7	0	0	0	0	0	111.9	V847 A848	V847-G890 WeakPolarHBondContact CA-O 3.21Å; A848-G890 PolarHBondContact N-O 2.68Å
891	S	88.4	Confident	76	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.7	178.3	63.9	0	0	0	0	111.9	L846	L846-S891 CarbonylContact O-C 3.47Å; L846-S891 WeakPolarHBondContact O-CA 3.4Å; L846-S891 WeakPolarHBondContact O-CB 3.38Å
892	T	91.3	Very high	78.4	Confident	18 Å²	18	71.8 Å²	71.8	11%	0.11	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.1	176.2	-170.3	0	0	0	0	110.3	L846 L868 D869	L846-T892 HydrophobicContact CB-CG2 3.93Å; L846-T892 HydrophobicContact CD1-CG2 4.34Å; L846-T892 PolarHBondContact N-O 3.44Å; L846-T892 PolarHBondContact O-N 2.84Å; L868-T892 HydrophobicContact CB-CG2 3.87Å; L868-T892 HydrophobicContact CD2-CG2 4.19Å; D869-T892 WeakPolarHBondContact O-CB 3.29Å; D869-T892 PolarHBondContact O-OG1 3.27Å
893	S	93.7	Very high	80.6	Confident	81 Å²	81	71 Å²	71	57%	0.566	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.4	-174.6	59.9	0	0	0	0	113.4	A844	A844-S893 CarbonylContact O-C 3.53Å; A844-S893 WeakPolarHBondContact O-CA 3.24Å; A844-S893 VanDerWaalsContact O-CB 3.24Å; A844-S893 WeakPolarHBondContact O-CB 3.42Å
894	L	93.8	Very high	82.8	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.047	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.6	174.7	80.9	90.3	0	0	0	111	V842 T843 A844 L858 L868 L896 L908	V842-L894 HydrophobicContact CB-CD1 4.45Å; V842-L894 HydrophobicContact CG1-CD1 4.25Å; V842-L894 WeakPolarHBondContact O-CD1 3.15Å; T843-L894 VanDerWaalsContact CA-O 3.25Å; T843-L894 WeakPolarHBondContact CA-O 3.43Å; A844-L894 HydrophobicContact CB-CD2 3.77Å; A844-L894 HydrophobicContact CB-CG 3.86Å; A844-L894 PolarHBondContact N-O 2.98Å; A844-L894 VanDerWaalsContact N-O 3.09Å; A844-L894 PolarHBondContact O-N 3.42Å; L858-L894 HydrophobicContact CB-CD2 4.01Å; L858-L894 HydrophobicContact CD2-CD1 4.12Å; L858-L894 HydrophobicContact CD2-CD2 4.04Å; L858-L894 HydrophobicContact CG-CD2 4.45Å; L868-L894 HydrophobicContact CD1-CD2 3.79Å; L868-L894 HydrophobicContact CD2-CB 4.11Å; L868-L894 HydrophobicContact CD2-CD2 4.07Å; L868-L894 HydrophobicContact CD2-CG 4.49Å; L868-L894 HydrophobicContact CG-CB 4.49Å; L868-L894 HydrophobicContact CG-CD2 4.36Å; L894-L896 HydrophobicContact CD1-CB 4.27Å; L894-L908 HydrophobicContact CD2-CD1 3.91Å
895	S	95.7	Very high	85.2	Confident	89 Å²	89	63.5 Å²	63.5	62%	0.622	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.3	110.6	165.9	-177	0	0	0	0	108.6	V842	V842-S895 WeakPolarHBondContact O-CA 3.5Å
896	L	94.1	Very high	87.3	Confident	58 Å²	58	56.1 Å²	56.1	30%	0.304	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.7	-169.6	-175.4	63	0	0	0	111.6	V842 I865 L894 V898	V842-L896 PolarHBondContact N-O 2.92Å; V842-L896 PolarHBondContact O-N 3.33Å; I865-L896 HydrophobicContact CG2-CD2 3.57Å; L894-L896 HydrophobicContact CD1-CB 4.27Å; L896-V898 HydrophobicContact CD2-CG2 4.05Å; L896-V898 HydrophobicContact CG-CG2 4.11Å
897	V	95.1	Very high	89	Confident	72 Å²	72	53.8 Å²	53.8	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108	171.2	-178.4	0	0	0	0	109.5	R839 Y840 L841 L932	R839-V897 HydrophobicContact CB-CG1 4.04Å; Y840-V897 CarbonylContact O-C 3.33Å; Y840-V897 WeakPolarHBondContact O-CA 3.27Å; L841-V897 HydrophobicContact CD1-CG2 4.11Å; V897-L932 HydrophobicContact CG1-CD1 3.94Å; V897-L932 HydrophobicContact CG2-CD1 4.02Å
898	V	93.3	Very high	90.6	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.6	-178.4	-177.1	0	0	0	0	109.6	R839 Y840 V842 V860 I865 L896 M900	R839-V898 WeakPolarHBondContact CA-O 3.39Å; Y840-V898 PolarHBondContact N-O 2.88Å; Y840-V898 PolarHBondContact O-N 3.4Å; V842-V898 HydrophobicContact CB-CG2 4.38Å; V842-V898 HydrophobicContact CG2-CB 4.05Å; V842-V898 HydrophobicContact CG2-CG2 3.7Å; V860-V898 HydrophobicContact CG2-CG1 4.15Å; I865-V898 HydrophobicContact CG2-CG2 4.49Å; L896-V898 HydrophobicContact CD2-CG2 4.05Å; L896-V898 HydrophobicContact CG-CG2 4.11Å; V898-M900 HydrophobicContact CG1-CG 3.84Å
899	S	93.3	Very high	91.4	Very high	81 Å²	81	53.4 Å²	53.4	57%	0.566	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.5	169.2	-56.4	0	0	0	0	108.9	R839	R839-S899 WeakPolarHBondContact CD-OG 3.3Å
900	M	93.6	Very high	92.5	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.2	-179.8	-60.7	179.3	71	0	0	110.5	F832 A834 D837 G838 Y840 V860 V898 D904 M906	F832-M900 HydrophobicContact CD1-CE 4.2Å; F832-M900 HydrophobicContact CD1-SD 4.35Å; F832-M900 HydrophobicContact CE1-CE 4.42Å; F832-M900 HydrophobicContact CE1-SD 4.25Å; A834-M900 HydrophobicContact CB-CB 3.86Å; A834-M900 HydrophobicContact CB-CE 3.73Å; A834-M900 HydrophobicContact CB-SD 4.2Å; D837-M900 WeakPolarHBondContact CA-O 3.34Å; G838-M900 PolarHBondContact N-O 2.8Å; G838-M900 PolarHBondContact O-N 3.15Å; Y840-M900 HydrophobicContact CD2-CB 3.8Å; Y840-M900 HydrophobicContact CD2-CG 4.02Å; Y840-M900 HydrophobicContact CD2-SD 4.1Å; Y840-M900 HydrophobicContact CE2-CB 3.79Å; Y840-M900 HydrophobicContact CE2-CG 4.47Å; Y840-M900 HydrophobicContact CG-SD 4.34Å; V860-M900 HydrophobicContact CG1-CE 4.17Å; V860-M900 HydrophobicContact CG1-CG 4.34Å; V898-M900 HydrophobicContact CG1-CG 3.84Å; M900-D904 HydrophobicContact CB-CB 4.16Å; M900-D904 HydrophobicContact CE-CB 3.69Å; M900-D904 WeakPolarHBondContact CE-O 3.43Å; M900-M906 HydrophobicContact CE-CB 3.71Å; M900-M906 HydrophobicContact SD-CB 4.3Å; M900-M906 HydrophobicContact SD-SD 4.23Å
901	K	92.8	Very high	92.9	Very high	141 Å²	141	54.4 Å²	54.4	61%	0.613	31%	0.313	S	S	*	.			trans	-94.5	160.7	171.3	-61.9	173.4	-177.1	170.9	0	110.9	A834 D837 G903 D904	A834-K901 WeakPolarHBondContact CB-O 3.44Å; D837-K901 VanDerWaalsContact OD1-CA 3.29Å; D837-K901 WeakPolarHBondContact OD1-CA 3.41Å; K901-G903 PolarHBondContact O-N 3.16Å; K901-D904 WeakPolarHBondContact CB-OD2 3.5Å; K901-D904 PolarHBondContact N-OD2 3.16Å; K901-D904 WeakPolarHBondContact O-CB 3.36Å; K901-D904 PolarHBondContact O-N 2.67Å
902	Q	93.1	Very high	92.8	Very high	144 Å²	144	52.1 Å²	52.1	67%	0.673	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	121.8	168	176.4	170	79.4	0	0	110.6	A834 P835 D837	A834-Q902 WeakPolarHBondContact O-CA 3.41Å; P835-Q902 WeakPolarHBondContact O-CG 3.35Å; P835-Q902 PolarHBondContact O-NE2 2.84Å; D837-Q902 PolarHBondContact OD1-N 2.98Å
903	G	91.7	Very high	92.5	Very high	45 Å²	45	52 Å²	52	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-7.9	-177.5	0	0	0	0	0	115.8	A834 K901	A834-G903 PolarHBondContact O-N 2.92Å; K901-G903 PolarHBondContact O-N 3.16Å
904	D	95.3	Very high	92.1	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.193	29%	0.291	C	S	.	.			trans	-64	137.5	174.6	-84.1	-32.8	0	0	0	111.1	T833 A834 V860 S861 M900 K901	T833-D904 WeakPolarHBondContact CA-O 3.42Å; A834-D904 PolarHBondContact N-O 3.19Å; V860-D904 HydrophobicContact CG1-CB 4.35Å; S861-D904 WeakPolarHBondContact CB-OD1 3.47Å; S861-D904 WeakPolarHBondContact OG-CA 3.48Å; S861-D904 WeakPolarHBondContact OG-CB 3.48Å; S861-D904 VanDerWaalsContact OG-CG 3.32Å; S861-D904 PolarHBondContact OG-OD1 2.96Å; M900-D904 HydrophobicContact CB-CB 4.16Å; M900-D904 HydrophobicContact CE-CB 3.69Å; M900-D904 WeakPolarHBondContact CE-O 3.43Å; K901-D904 WeakPolarHBondContact CB-OD2 3.5Å; K901-D904 PolarHBondContact N-OD2 3.16Å; K901-D904 WeakPolarHBondContact O-CB 3.36Å; K901-D904 PolarHBondContact O-N 2.67Å
905	R	94.9	Very high	91.8	Very high	121 Å²	121	52.3 Å²	52.3	46%	0.457	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.6	-173.6	-59.1	-174.9	75.2	-128.3	5.1	110.7	I831 F832 T833 V860 S861	I831-R905 HydrophobicContact CG2-CB 4.04Å; F832-R905 CarbonylContact O-C 3.55Å; F832-R905 WeakPolarHBondContact O-CA 3.43Å; T833-R905 HydrophobicContact CG2-CG 4.26Å; V860-R905 CarbonylContact C-O 3.58Å; V860-R905 WeakPolarHBondContact CA-O 3.24Å; S861-R905 PolarHBondContact N-O 2.88Å; S861-R905 PolarHBondContact OG-N 3.12Å
906	M	95.8	Very high	91.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.7	-176.9	-179.8	179.2	68.7	0	0	111.5	F796 I831 F832 V842 L858 S859 V860 M900 F927 A929	F796-M906 HydrophobicContact CE1-CE 3.96Å; F796-M906 HydrophobicContact CZ-CE 4.17Å; I831-M906 WeakPolarHBondContact CA-O 3.21Å; F832-M906 HydrophobicContact CB-CB 4.42Å; F832-M906 HydrophobicContact CB-CE 4.08Å; F832-M906 HydrophobicContact CD1-CB 4.44Å; F832-M906 HydrophobicContact CD1-CE 3.84Å; F832-M906 HydrophobicContact CG-CE 4.2Å; F832-M906 PolarHBondContact N-O 3.47Å; F832-M906 PolarHBondContact O-N 2.93Å; V842-M906 HydrophobicContact CB-SD 4.27Å; V842-M906 HydrophobicContact CG1-CE 3.87Å; V842-M906 HydrophobicContact CG1-SD 3.67Å; V842-M906 HydrophobicContact CG2-CE 3.93Å; V842-M906 HydrophobicContact CG2-SD 3.54Å; V842-M906 VanDerWaalsContact CG2-SD 3.54Å; L858-M906 HydrophobicContact CD1-CG 3.83Å; L858-M906 HydrophobicContact CD1-SD 4.04Å; S859-M906 VanDerWaalsContact O-CA 3.31Å; S859-M906 WeakPolarHBondContact O-CA 3.4Å; V860-M906 HydrophobicContact CG2-CB 4.05Å; V860-M906 HydrophobicContact CG2-CG 3.82Å; V860-M906 HydrophobicContact CG2-SD 4.27Å; M900-M906 HydrophobicContact CE-CB 3.71Å; M900-M906 HydrophobicContact SD-CB 4.3Å; M900-M906 HydrophobicContact SD-SD 4.23Å; M906-F927 HydrophobicContact CE-CE2 4.36Å; M906-F927 HydrophobicContact CE-CZ 3.91Å; M906-F927 HydrophobicContact CG-CZ 4.22Å; M906-F927 HydrophobicContact SD-CZ 4.45Å; M906-A929 HydrophobicContact CE-CB 3.8Å
907	G	93.6	Very high	90.6	Very high	9 Å²	9	48.1 Å²	48.1	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	164.1	175.1	0	0	0	0	0	112.3	S859	S859-G907 PolarHBondContact N-O 2.94Å; S859-G907 PolarHBondContact O-N 3.24Å
908	L	93.9	Very high	89.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.4	172.4	-131.4	81.9	0	0	0	109.3	I811 I812 F814 A844 L846 L858 L894 F927	I811-L908 WeakPolarHBondContact CA-O 3.24Å; I812-L908 HydrophobicContact CD1-CB 4.25Å; I812-L908 HydrophobicContact CD1-CD2 4.11Å; I812-L908 PolarHBondContact N-O 3.16Å; F814-L908 HydrophobicContact CE2-CB 4.3Å; F814-L908 HydrophobicContact CZ-CD2 4.36Å; A844-L908 HydrophobicContact CB-CD1 4.11Å; A844-L908 HydrophobicContact CB-CD2 3.98Å; L846-L908 HydrophobicContact CD1-CD2 3.85Å; L846-L908 HydrophobicContact CD2-CD2 3.85Å; L846-L908 HydrophobicContact CG-CD2 4.03Å; L858-L908 HydrophobicContact CB-CD1 4Å; L858-L908 HydrophobicContact CD1-CD1 3.76Å; L858-L908 HydrophobicContact CG-CD1 4.48Å; L894-L908 HydrophobicContact CD2-CD1 3.91Å; L908-F927 HydrophobicContact CD1-CD2 4.29Å; L908-F927 HydrophobicContact CD1-CE2 4.03Å
909	M	90.5	Very high	87.9	Confident	73 Å²	73	50.5 Å²	50.5	36%	0.36	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.1	-178.6	-174.9	175.1	76.2	0	0	110	G810 A856 V857 T911	G810-M909 CarbonylContact O-C 3.6Å; G810-M909 WeakPolarHBondContact O-CA 3.41Å; A856-M909 CarbonylContact C-O 3.58Å; A856-M909 WeakPolarHBondContact CA-O 3.41Å; A856-M909 WeakPolarHBondContact CB-O 3.28Å; V857-M909 PolarHBondContact N-O 2.95Å; V857-M909 PolarHBondContact O-N 3.32Å; M909-T911 HydrophobicContact CE-CG2 4.03Å
910	L	90.4	Very high	86.3	Confident	14 Å²	14	49.9 Å²	49.9	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.8	169.8	-165.1	69.7	0	0	0	108.7	A809 G810 I812 V854 E855 G913 L915	A809-L910 CarbonylContact C-O 3.26Å; A809-L910 VanDerWaalsContact CA-O 3.29Å; A809-L910 WeakPolarHBondContact CA-O 3.29Å; A809-L910 WeakPolarHBondContact CB-O 3.4Å; G810-L910 PolarHBondContact N-O 3.39Å; G810-L910 PolarHBondContact O-N 2.85Å; I812-L910 HydrophobicContact CD1-CB 4Å; I812-L910 HydrophobicContact CD1-CD1 4.33Å; I812-L910 HydrophobicContact CG1-CB 3.85Å; V854-L910 HydrophobicContact CG1-CD1 3.88Å; E855-L910 WeakPolarHBondContact O-CD1 3.34Å; L910-G913 WeakPolarHBondContact CD2-O 3.41Å; L910-L915 HydrophobicContact CD1-CD2 4.45Å; L910-L915 HydrophobicContact CD1-CG 4.3Å
911	T	87.8	Confident	84.9	Confident	53 Å²	53	55.2 Å²	55.2	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-26.6	176.6	50.3	0	0	0	0	112.7	E855 V857 M909	E855-T911 VanDerWaalsContact C-OG1 3.3Å; E855-T911 WeakPolarHBondContact CB-OG1 3.37Å; E855-T911 PolarHBondContact O-N 3.4Å; E855-T911 PolarHBondContact O-OG1 3.34Å; V857-T911 HydrophobicContact CG2-CG2 3.92Å; M909-T911 HydrophobicContact CE-CG2 4.03Å
912	A	84.4	Confident	84.2	Confident	32 Å²	32	54.2 Å²	54.2	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.8	170	0	0	0	0	0	112.2	E855	E855-A912 HydrophobicContact CB-CB 4.07Å; E855-A912 HydrophobicContact CG-CB 4.33Å; E855-A912 PolarHBondContact N-O 3.26Å; E855-A912 PolarHBondContact O-N 2.7Å
913	G	84.9	Confident	83.9	Confident	15 Å²	15	50 Å²	50	16%	0.155	30%	0.295	C	S	.	.	S	Bend	trans	86.5	-168.6	173.2	0	0	0	0	0	115.2	K853 L910	K853-G913 WeakPolarHBondContact O-CA 3.49Å; L910-G913 WeakPolarHBondContact CD2-O 3.41Å
914	K	85.6	Confident	83.7	Confident	84 Å²	84	49.9 Å²	49.9	37%	0.365	28%	0.283	S	S	.	.			trans	-134.9	136.9	177.8	-57.7	-180	-168.4	69.2	0	111.8	Q849 E852 V854	Q849-K914 HydrophobicContact CB-CB 4.44Å; Q849-K914 PolarHBondContact N-O 3.45Å; E852-K914 VanDerWaalsContact CD-NZ 3.25Å; E852-K914 HydrophobicContact CG-CB 4.05Å; E852-K914 HydrophobicContact CG-CG 4.37Å; E852-K914 WeakPolarHBondContact OE1-CD 3.4Å; E852-K914 IonicContact OE1-NZ 2.93Å; E852-K914 PolarHBondContact OE1-NZ 2.81Å; E852-K914 IonicContact OE2-NZ 2.65Å; E852-K914 PolarHBondContact OE2-NZ 3.29Å; V854-K914 WeakPolarHBondContact CG2-O 3.46Å
915	L	87.8	Confident	83.6	Confident	14 Å²	14	48.1 Å²	48.1	7%	0.073	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-81.6	136.5	178.3	-63.7	171.6	0	0	0	111	L800 I812 L846 V847 V854 L910	L800-L915 HydrophobicContact CD2-CB 3.7Å; L800-L915 HydrophobicContact CD2-CD1 3.76Å; L800-L915 HydrophobicContact CD2-CG 4.37Å; I812-L915 HydrophobicContact CD1-CD1 3.97Å; I812-L915 HydrophobicContact CG1-CD1 4.06Å; I812-L915 HydrophobicContact CG2-CD1 3.67Å; L846-L915 HydrophobicContact CB-CD2 3.81Å; L846-L915 HydrophobicContact CD1-CD2 4.34Å; L846-L915 HydrophobicContact CD2-CD1 4.25Å; L846-L915 HydrophobicContact CD2-CD2 3.89Å; L846-L915 HydrophobicContact CG-CD2 4.23Å; V847-L915 CarbonylContact O-C 3.53Å; V847-L915 WeakPolarHBondContact O-CA 3.47Å; V854-L915 HydrophobicContact CG1-CD2 3.87Å; V854-L915 HydrophobicContact CG2-CD2 3.99Å; L910-L915 HydrophobicContact CD1-CD2 4.45Å; L910-L915 HydrophobicContact CD1-CG 4.3Å
916	A	85.7	Confident	83.6	Confident	3 Å²	3	44 Å²	44	3%	0.025	26%	0.264	C	S	.	.			trans	-69.5	136.7	174.2	0	0	0	0	0	111.5	V847 L924	V847-A916 HydrophobicContact CB-CB 4.41Å; V847-A916 HydrophobicContact CG1-CB 4.03Å; V847-A916 PolarHBondContact O-N 2.75Å; A916-L924 HydrophobicContact CB-CD1 3.81Å
917	T	78.3	Confident	83.6	Confident	55 Å²	55	44 Å²	44	34%	0.337	26%	0.264	S	S	.	.			trans	-128.5	130.5	173	56.7	0	0	0	0	110	L800	L800-T917 HydrophobicContact CD2-CG2 4.09Å; L800-T917 HydrophobicContact CG-CG2 4.16Å
918	S	70.1	Confident	83.8	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	27%	0.267	C	S	.	.			trans	-89.9	144.9	179.7	-163.7	0	0	0	0	112.7	S920	S918-S920 VanDerWaalsContact C-N 3.26Å; S918-S920 WeakPolarHBondContact CB-OG 3.36Å; S918-S920 PolarHBondContact O-N 3.1Å; S918-S920 PolarHBondContact OG-N 2.93Å; S918-S920 PolarHBondContact OG-OG 2.99Å
919	A	62.5	Low	84	Confident	107 Å²	107	44.9 Å²	44.9	88%	0.884	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22	172.2	0	0	0	0	0	113	L921	A919-L921 VanDerWaalsContact C-N 3.25Å; A919-L921 PolarHBondContact O-N 2.88Å
920	S	60	Low	84.2	Confident	68 Å²	68	44.2 Å²	44.2	48%	0.476	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	9.8	-176.4	56.2	0	0	0	0	115	S918 E922	S918-S920 VanDerWaalsContact C-N 3.26Å; S918-S920 WeakPolarHBondContact CB-OG 3.36Å; S918-S920 PolarHBondContact O-N 3.1Å; S918-S920 PolarHBondContact OG-N 2.93Å; S918-S920 PolarHBondContact OG-OG 2.99Å; S920-E922 PolarHBondContact O-N 3.44Å; S920-E922 VanDerWaalsContact O-N 3.15Å; S920-E922 WeakPolarHBondContact OG-CB 3.29Å; S920-E922 VanDerWaalsContact OG-CG 3.24Å; S920-E922 WeakPolarHBondContact OG-CG 3.23Å; S920-E922 PolarHBondContact OG-OE2 3.14Å
921	L	63.9	Low	84.5	Confident	118 Å²	118	44.8 Å²	44.8	62%	0.618	27%	0.272	S	S	*	.	S	Bend	trans	61	8.5	-169.8	-65.5	165.3	0	0	0	115.1	K816 A919	K816-L921 PolarHBondContact NZ-O 3.37Å; A919-L921 VanDerWaalsContact C-N 3.25Å; A919-L921 PolarHBondContact O-N 2.88Å
922	E	78.9	Confident	84.7	Confident	120 Å²	120	45.9 Å²	45.9	56%	0.561	28%	0.275	S	S	*	.			trans	-65.6	144.8	174.1	-71.5	172	135.3	0	0	112	S920	S920-E922 PolarHBondContact O-N 3.44Å; S920-E922 VanDerWaalsContact O-N 3.15Å; S920-E922 WeakPolarHBondContact OG-CB 3.29Å; S920-E922 VanDerWaalsContact OG-CG 3.24Å; S920-E922 WeakPolarHBondContact OG-CG 3.23Å; S920-E922 PolarHBondContact OG-OE2 3.14Å
923	I	86.4	Confident	84.9	Confident	56 Å²	56	50.1 Å²	50.1	29%	0.287	29%	0.285	S	S	.	.			trans	-96.1	99.2	-178.2	-64.4	170.9	0	0	0	108.1	G799 T801 K816 L818 S925	G799-I923 VanDerWaalsContact CA-CG2 3.44Å; T801-I923 HydrophobicContact CG2-CG1 4.04Å; K816-I923 HydrophobicContact CD-CD1 3.89Å; K816-I923 HydrophobicContact CD-CG1 4.02Å; K816-I923 HydrophobicContact CG-CD1 4.28Å; L818-I923 HydrophobicContact CD1-CD1 3.88Å; L818-I923 HydrophobicContact CD2-CD1 3.82Å; L818-I923 HydrophobicContact CG-CD1 4.13Å; I923-S925 VanDerWaalsContact CG2-O 3.29Å; I923-S925 WeakPolarHBondContact CG2-O 3.44Å
924	L	87.8	Confident	85	Confident	42 Å²	42	52.6 Å²	52.6	22%	0.22	30%	0.301	C	S	.	.	S	Bend	trans	-81.2	-46.2	176.6	-58.7	178.1	0	0	0	111.3	V847 C886 A916	V847-L924 HydrophobicContact CB-CB 4.27Å; V847-L924 HydrophobicContact CG2-CB 4.3Å; V847-L924 VanDerWaalsContact CG2-O 3.23Å; V847-L924 WeakPolarHBondContact CG2-O 3.43Å; C886-L924 HydrophobicContact CB-CD1 4.41Å; A916-L924 HydrophobicContact CB-CD1 3.81Å
925	S	92.6	Very high	84.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-108.6	139.9	176.2	-57.2	0	0	0	0	111.1	L800 V845 V847 I923	L800-S925 PolarHBondContact N-O 3.43Å; V845-S925 CarbonylContact O-C 3.55Å; V845-S925 WeakPolarHBondContact O-CA 3.34Å; V845-S925 WeakPolarHBondContact O-CB 3.28Å; V847-S925 PolarHBondContact N-OG 3.36Å; I923-S925 VanDerWaalsContact CG2-O 3.29Å; I923-S925 WeakPolarHBondContact CG2-O 3.44Å
926	S	94.8	Very high	83.5	Confident	34 Å²	34	56.3 Å²	56.3	24%	0.238	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	-177.2	61.3	0	0	0	0	113.3	A798 A844 V845	A798-S926 CarbonylContact O-C 3.58Å; A798-S926 VanDerWaalsContact O-CA 3.31Å; A798-S926 WeakPolarHBondContact O-CA 3.34Å; A844-S926 CarbonylContact C-O 3.44Å; A844-S926 WeakPolarHBondContact CA-O 3.47Å; V845-S926 PolarHBondContact N-O 3.34Å; V845-S926 PolarHBondContact O-N 3.13Å
927	F	96.6	Very high	82	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.8	178.1	178.2	-138.8	0	0	0	109.9	F796 A798 F814 Y825 V842 A844 L858 M906 L908	F796-F927 AromaticContact CE2-CD1 3.74Å; F796-F927 HydrophobicContact CE2-CD1 3.74Å; F796-F927 HydrophobicContact CE2-CE1 4.02Å; F796-F927 HydrophobicContact CE2-CG 4.11Å; F796-F927 AromaticContact CZ-CD1 3.86Å; F796-F927 HydrophobicContact CZ-CD1 3.86Å; F796-F927 HydrophobicContact CZ-CD2 4.47Å; F796-F927 AromaticContact CZ-CE1 3.68Å; F796-F927 HydrophobicContact CZ-CE1 3.68Å; F796-F927 HydrophobicContact CZ-CE2 4.31Å; F796-F927 HydrophobicContact CZ-CG 4.27Å; F796-F927 AromaticContact CZ-CZ 3.93Å; F796-F927 HydrophobicContact CZ-CZ 3.93Å; A798-F927 PolarHBondContact N-O 3.17Å; A798-F927 PolarHBondContact O-N 3.23Å; F814-F927 HydrophobicContact CD1-CB 4.01Å; F814-F927 HydrophobicContact CD2-CB 3.58Å; F814-F927 AromaticContact CD2-CD1 3.94Å; F814-F927 HydrophobicContact CD2-CD1 3.94Å; F814-F927 HydrophobicContact CD2-CG 4.21Å; F814-F927 HydrophobicContact CE1-CB 3.89Å; F814-F927 HydrophobicContact CE2-CB 3.45Å; F814-F927 VanDerWaalsContact CE2-CB 3.45Å; F814-F927 AromaticContact CE2-CD1 3.97Å; F814-F927 HydrophobicContact CE2-CD1 3.97Å; F814-F927 AromaticContact CE2-CG 3.99Å; F814-F927 HydrophobicContact CE2-CG 3.99Å; F814-F927 HydrophobicContact CG-CB 3.87Å; F814-F927 HydrophobicContact CZ-CB 3.61Å; F814-F927 HydrophobicContact CZ-CG 4.48Å; Y825-F927 HydrophobicContact CE2-CD1 4.05Å; Y825-F927 HydrophobicContact CE2-CE1 4.14Å; V842-F927 HydrophobicContact CG1-CE2 3.76Å; A844-F927 HydrophobicContact CB-CD2 3.98Å; L858-F927 HydrophobicContact CD1-CE2 4.24Å; L858-F927 HydrophobicContact CD1-CZ 4.38Å; M906-F927 HydrophobicContact CE-CE2 4.36Å; M906-F927 HydrophobicContact CE-CZ 3.91Å; M906-F927 HydrophobicContact CG-CZ 4.22Å; M906-F927 HydrophobicContact SD-CZ 4.45Å; L908-F927 HydrophobicContact CD1-CD2 4.29Å; L908-F927 HydrophobicContact CD1-CE2 4.03Å
928	S	97.4	Very high	80.5	Confident	23 Å²	23	69 Å²	69	16%	0.161	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155	-176.7	59.9	0	0	0	0	112.2	F796 T843	F796-S928 CarbonylContact O-C 3.55Å; F796-S928 WeakPolarHBondContact O-CA 3.46Å; F796-S928 WeakPolarHBondContact O-CB 3.5Å; T843-S928 PolarHBondContact N-O 3.31Å; T843-S928 PolarHBondContact O-N 2.79Å; T843-S928 VanDerWaalsContact O-O 3.09Å; T843-S928 PolarHBondContact OG1-OG 3.07Å
929	A	96.6	Very high	78.8	Confident	5 Å²	5	82.5 Å²	82.5	4%	0.041	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.7	164.1	0	0	0	0	0	112.4	S795 F796 L841 V842 M906	S795-A929 CarbonylContact C-O 3.57Å; S795-A929 VanDerWaalsContact CA-O 3.3Å; S795-A929 WeakPolarHBondContact CA-O 3.43Å; F796-A929 HydrophobicContact CD1-CB 4.04Å; F796-A929 HydrophobicContact CE1-CB 3.47Å; F796-A929 VanDerWaalsContact CE1-CB 3.47Å; F796-A929 HydrophobicContact CZ-CB 4.16Å; F796-A929 PolarHBondContact N-O 2.88Å; F796-A929 PolarHBondContact O-N 2.78Å; L841-A929 CarbonylContact O-C 3.57Å; L841-A929 WeakPolarHBondContact O-CA 3.4Å; L841-A929 WeakPolarHBondContact O-CB 3.43Å; V842-A929 HydrophobicContact CB-CB 4.38Å; V842-A929 HydrophobicContact CG1-CB 4.44Å; V842-A929 HydrophobicContact CG2-CB 4.07Å; M906-A929 HydrophobicContact CE-CB 3.8Å
930	V	96.4	Very high	79.6	Confident	60 Å²	60	81.3 Å²	81.3	36%	0.364	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.1	176.1	60.4	0	0	0	0	110.9	Y840 L841 L932	Y840-V930 CarbonylContact C-O 3.51Å; Y840-V930 VanDerWaalsContact CA-O 3.3Å; Y840-V930 WeakPolarHBondContact CA-O 3.28Å; L841-V930 HydrophobicContact CB-CG1 4.04Å; L841-V930 HydrophobicContact CD2-CG1 4.47Å; L841-V930 PolarHBondContact N-O 3.47Å; L841-V930 PolarHBondContact O-N 2.88Å; V930-L932 HydrophobicContact CG1-CD2 4.42Å; V930-L932 PolarHBondContact O-N 3.36Å
931	L	95	Very high	80.7	Confident	26 Å²	26	82 Å²	82	14%	0.136	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	115.3	170.3	176.6	61.7	0	0	0	109.3	V794 Y840 Y933	V794-L931 HydrophobicContact CB-CB 3.85Å; V794-L931 HydrophobicContact CB-CD2 4.1Å; V794-L931 HydrophobicContact CG1-CB 4.43Å; V794-L931 HydrophobicContact CG2-CD2 4.1Å; V794-L931 PolarHBondContact O-N 3.35Å; Y840-L931 HydrophobicContact CD1-CB 3.98Å; Y840-L931 HydrophobicContact CD1-CD1 4.3Å; Y840-L931 HydrophobicContact CD2-CD1 4.42Å; Y840-L931 HydrophobicContact CE1-CB 3.75Å; Y840-L931 HydrophobicContact CE1-CD1 3.91Å; Y840-L931 HydrophobicContact CE1-CG 4.33Å; Y840-L931 HydrophobicContact CE2-CD1 4.03Å; L931-Y933 WeakPolarHBondContact CD1-O 3.41Å
932	L	92.9	Very high	81.6	Confident	76 Å²	76	80 Å²	80	40%	0.398	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-46	175.2	-60.2	177.8	0	0	0	110.6	R839 L841 V897 V930	R839-L932 WeakPolarHBondContact O-CB 3.39Å; R839-L932 PolarHBondContact O-N 3.44Å; L841-L932 HydrophobicContact CB-CD1 4.13Å; L841-L932 HydrophobicContact CB-CD2 3.86Å; L841-L932 HydrophobicContact CB-CG 4.03Å; V897-L932 HydrophobicContact CG1-CD1 3.94Å; V897-L932 HydrophobicContact CG2-CD1 4.02Å; V930-L932 HydrophobicContact CG1-CD2 4.42Å; V930-L932 PolarHBondContact O-N 3.36Å
933	Y	88.8	Confident	81.8	Confident	120 Å²	120	77.6 Å²	77.6	47%	0.471	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	142.6	175.1	40.1	-92	0	0	0	110.7	G838 R839 L931	G838-Y933 WeakPolarHBondContact CA-O 3.28Å; R839-Y933 HydrophobicContact CB-CD2 4.45Å; R839-Y933 HydrophobicContact CB-CE2 4.02Å; R839-Y933 HydrophobicContact CG-CE2 4.1Å; R839-Y933 PolarHBondContact N-O 3.04Å; R839-Y933 PolarHBondContact NE-OH 2.73Å; R839-Y933 PolarHBondContact NH2-OH 2.9Å; L931-Y933 WeakPolarHBondContact CD1-O 3.41Å
934	S	86.8	Confident	81.5	Confident	68 Å²	68	79 Å²	79	48%	0.476	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.6	169.8	-49.2	0	0	0	0	110.8	D837	D837-S934 CarbonylContact O-C 3.52Å; D837-S934 VanDerWaalsContact O-CA 3.29Å; D837-S934 WeakPolarHBondContact O-CA 3.25Å
935	S	79.1	Confident	81.1	Confident	53 Å²	53	81.5 Å²	81.5	37%	0.371	42%	0.415	S	S	.	.			trans	-77.7	130.2	171.4	-66.1	0	0	0	0	109	D837 T937	D837-S935 PolarHBondContact O-N 3.25Å; S935-T937 PolarHBondContact O-N 2.85Å; S935-T937 VanDerWaalsContact O-N 3.11Å
936	P	62.4	Low	80.2	Confident	123 Å²	123	87.3 Å²	87.3	80%	0.799	44%	0.444	S	S	*	.			trans	-67.4	113.9	175	27.1	-32.8	0	0	0	109.5	K938	P936-K938 PolarHBondContact O-N 3.08Å; P936-K938 VanDerWaalsContact O-N 3.08Å
937	T	54.7	Low	79.1	Confident	106 Å²	106	91.4 Å²	91.4	65%	0.65	46%	0.46	S	S	*	.			trans	-58.3	113.6	173.6	53	0	0	0	0	109.4	S935 R939	S935-T937 PolarHBondContact O-N 2.85Å; S935-T937 VanDerWaalsContact O-N 3.11Å; T937-R939 PolarHBondContact O-N 3.18Å
938	K	46.9	Very low	77.7	Confident	219 Å²	219	99 Å²	99	95%	0.952	50%	0.499	S	S	*	.			trans	-59.1	127.5	164.6	-77.9	-174.3	174.4	-178.8	0	107.7	P936	P936-K938 PolarHBondContact O-N 3.08Å; P936-K938 VanDerWaalsContact O-N 3.08Å
939	R	34.8	Very low	75.9	Confident	309 Å²	309	105.9 Å²	105.9	100%	1.166	53%	0.529	S	S	*	.			trans	-120.7	0	-171.1	-157.5	-172.5	-154	-171.6	9.1	110.4	T937	T937-R939 PolarHBondContact O-N 3.18Å

Retrieved 939 of 939 residues in 372.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).