A0A087Y6R7_POEFO Loading...

U4/U6 small nuclear ribonucleoprotein Prp3

Plays a role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex).

AlphaFold DB , UniProt , Accession A0A087Y6R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 702 aa.

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	M	51.6	Low	75.8	Confident	210 Å²	210	105.1 Å²	105.1	100%	1.034	51%	0.513	S	S	*	.				0	122.5	0	-73.6	-58	-135.8	0	0	108
2	S	66.4	Low	76.5	Confident	91 Å²	91	106.6 Å²	106.6	64%	0.636	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-73.1	140	175.8	51.8	0	0	0	0	111.4	G39	S2-G39 CarbonylContact C-O 3.57Å; S2-G39 VanDerWaalsContact CA-O 3.25Å; S2-G39 WeakPolarHBondContact CA-O 3.29Å; S2-G39 VanDerWaalsContact CB-O 3.31Å; S2-G39 WeakPolarHBondContact CB-O 3.37Å
3	L	76.2	Confident	77.2	Confident	59 Å²	59	103.8 Å²	103.8	31%	0.309	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-84.9	142.2	177.9	-65	175.3	0	0	0	111.1	V8 L11 V38 G39	L3-V8 HydrophobicContact CB-CG2 3.83Å; L3-L11 HydrophobicContact CD1-CD1 3.9Å; L3-V38 HydrophobicContact CD1-CG1 3.93Å; L3-G39 PolarHBondContact N-O 2.68Å
4	P	80.4	Confident	77.5	Confident	71 Å²	71	98.8 Å²	98.8	46%	0.461	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.2	143.6	175.4	29.1	-34.4	0	0	0	110.4	R6 E7 V8	P4-R6 PolarHBondContact O-N 3.12Å; P4-E7 HydrophobicContact CG-CB 4.12Å; P4-E7 HydrophobicContact CG-CG 3.85Å; P4-E7 PolarHBondContact O-N 3.24Å; P4-V8 PolarHBondContact O-N 3.4Å
5	K	75	Confident	77.8	Confident	183 Å²	183	92.2 Å²	92.2	80%	0.796	45%	0.446	S	S	*	.	H	α-helix	trans	-45.8	-41.2	-173.2	-70.2	-175	175.6	-177.5	0	114.2	E7 V8 E9	K5-E7 PolarHBondContact O-N 2.93Å; K5-V8 WeakPolarHBondContact O-CB 3.21Å; K5-V8 PolarHBondContact O-N 3.31Å; K5-E9 PolarHBondContact O-N 3.29Å
6	R	79	Confident	78.3	Confident	185 Å²	185	90.6 Å²	90.6	70%	0.698	44%	0.438	S	S	*	.	H	α-helix	trans	-59.6	-40.3	177.8	-178.6	177.1	175.7	155.7	4.3	113.6	P4 E9 E10	P4-R6 PolarHBondContact O-N 3.12Å; R6-E9 PolarHBondContact O-N 3.14Å; R6-E10 IonicContact NE-OE1 3.5Å; R6-E10 WeakPolarHBondContact O-CG 3.25Å; R6-E10 PolarHBondContact O-N 3.25Å
7	E	79.4	Confident	78.7	Confident	89 Å²	89	94.5 Å²	94.5	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-72.7	-32.5	177.5	-71.3	176	-157	0	0	111.5	P4 K5 E10 L11	P4-E7 HydrophobicContact CG-CB 4.12Å; P4-E7 HydrophobicContact CG-CG 3.85Å; P4-E7 PolarHBondContact O-N 3.24Å; K5-E7 PolarHBondContact O-N 2.93Å; E7-E10 PolarHBondContact O-N 2.98Å; E7-L11 VanDerWaalsContact O-CG 3.31Å; E7-L11 WeakPolarHBondContact O-CG 3.31Å; E7-L11 PolarHBondContact O-N 2.85Å; E7-L11 VanDerWaalsContact O-N 3.11Å
8	V	79.5	Confident	78.8	Confident	23 Å²	23	89.9 Å²	89.9	14%	0.139	43%	0.426	C	S	.	.	H	α-helix	trans	-64.9	-42.9	172.9	-175.4	0	0	0	0	110.8	L3 P4 K5 L11 R12 L35	L3-V8 HydrophobicContact CB-CG2 3.83Å; P4-V8 PolarHBondContact O-N 3.4Å; K5-V8 WeakPolarHBondContact O-CB 3.21Å; K5-V8 PolarHBondContact O-N 3.31Å; V8-L11 PolarHBondContact O-N 3.21Å; V8-L11 VanDerWaalsContact O-N 3.16Å; V8-R12 PolarHBondContact O-N 3.48Å; V8-L35 HydrophobicContact CG1-CB 4.07Å; V8-L35 HydrophobicContact CG1-CD2 3.96Å
9	E	81.6	Confident	79.1	Confident	143 Å²	143	85.2 Å²	85.2	67%	0.668	40%	0.403	S	S	*	.	H	α-helix	trans	-64.5	-39.7	174	-71.8	-178.5	156.5	0	0	112.5	K5 R6 L11 R12	K5-E9 PolarHBondContact O-N 3.29Å; R6-E9 PolarHBondContact O-N 3.14Å; E9-L11 PolarHBondContact O-N 2.95Å; E9-R12 WeakPolarHBondContact O-CB 3.31Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-R12 VanDerWaalsContact O-N 3.15Å
10	E	84.8	Confident	79.3	Confident	89 Å²	89	86.9 Å²	86.9	42%	0.416	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-19.8	173.7	-73.3	-178.1	-163.4	0	0	113.8	R6 E7 R77	R6-E10 IonicContact NE-OE1 3.5Å; R6-E10 WeakPolarHBondContact O-CG 3.25Å; R6-E10 PolarHBondContact O-N 3.25Å; E7-E10 PolarHBondContact O-N 2.98Å; E10-R77 IonicContact OE2-CZ 3.82Å; E10-R77 IonicContact OE2-NH1 3.45Å; E10-R77 PolarHBondContact OE2-NH1 3.34Å; E10-R77 IonicContact OE2-NH2 2.68Å; E10-R77 PolarHBondContact OE2-NH2 3.34Å
11	L	80.3	Confident	79.5	Confident	13 Å²	13	90.5 Å²	90.5	7%	0.068	42%	0.423	C	S	.	.	H	α-helix	trans	-87.7	-18.3	174.1	-71.7	168.5	0	0	0	113.1	L3 E7 V8 E9 W14 V15 L35 V38 L70	L3-L11 HydrophobicContact CD1-CD1 3.9Å; E7-L11 VanDerWaalsContact O-CG 3.31Å; E7-L11 WeakPolarHBondContact O-CG 3.31Å; E7-L11 PolarHBondContact O-N 2.85Å; E7-L11 VanDerWaalsContact O-N 3.11Å; V8-L11 PolarHBondContact O-N 3.21Å; V8-L11 VanDerWaalsContact O-N 3.16Å; E9-L11 PolarHBondContact O-N 2.95Å; L11-W14 WeakPolarHBondContact O-CA 3.36Å; L11-W14 VanDerWaalsContact O-CB 3.31Å; L11-W14 WeakPolarHBondContact O-CB 3.45Å; L11-W14 PolarHBondContact O-N 3.15Å; L11-V15 PolarHBondContact O-N 3.44Å; L11-L35 HydrophobicContact CB-CD2 4.39Å; L11-V38 HydrophobicContact CD1-CG1 4.11Å; L11-L70 HydrophobicContact CD1-CD1 4.13Å; L11-L70 HydrophobicContact CD2-CG 4.47Å
12	R	84.2	Confident	80.8	Confident	123 Å²	123	82.2 Å²	82.2	46%	0.464	38%	0.384	S	S	.	.	H	α-helix	trans	-53.8	-50.6	-177.6	172.1	173.5	-177.5	162.2	6.4	114.1	V8 E9 W14 V15 E16 L35	V8-R12 PolarHBondContact O-N 3.48Å; E9-R12 WeakPolarHBondContact O-CB 3.31Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-R12 VanDerWaalsContact O-N 3.15Å; R12-W14 PolarHBondContact O-N 2.84Å; R12-V15 PolarHBondContact O-N 2.95Å; R12-E16 HydrophobicContact CG-CG 4.31Å; R12-E16 WeakPolarHBondContact CG-OE1 3.3Å; R12-E16 IonicContact CZ-OE1 3.3Å; R12-E16 IonicContact NE-OE1 2.7Å; R12-E16 PolarHBondContact NE-OE1 3.39Å; R12-E16 IonicContact NH2-OE1 3.81Å; R12-E16 WeakPolarHBondContact O-CB 3.5Å; R12-E16 WeakPolarHBondContact O-CG 3.47Å; R12-E16 PolarHBondContact O-N 3.15Å; R12-L35 HydrophobicContact CB-CD1 3.68Å; R12-L35 HydrophobicContact CB-CD2 4.33Å; R12-L35 HydrophobicContact CG-CD1 3.8Å
13	P	85	Confident	81.3	Confident	70 Å²	70	79.8 Å²	79.8	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-69.2	-4.4	177.9	-17	32	0	0	0	113.5	R17	P13-R17 VanDerWaalsContact O-CZ 3.23Å; P13-R17 PolarHBondContact O-NE 3.04Å; P13-R17 PolarHBondContact O-NH2 3.35Å
14	W	81	Confident	81.3	Confident	34 Å²	34	79.7 Å²	79.7	13%	0.129	38%	0.377	C	S	.	.	H	α-helix	trans	-94.5	-47.4	171.8	-174.7	88	0	0	0	110.9	L11 R12 E16 R17 T18 L66 A69 L70	L11-W14 WeakPolarHBondContact O-CA 3.36Å; L11-W14 VanDerWaalsContact O-CB 3.31Å; L11-W14 WeakPolarHBondContact O-CB 3.45Å; L11-W14 PolarHBondContact O-N 3.15Å; R12-W14 PolarHBondContact O-N 2.84Å; W14-E16 VanDerWaalsContact C-N 3.33Å; W14-E16 PolarHBondContact O-N 3.04Å; W14-R17 WeakPolarHBondContact O-CB 3.42Å; W14-R17 PolarHBondContact O-N 3.42Å; W14-R17 VanDerWaalsContact O-N 3.09Å; W14-T18 HydrophobicContact CH2-CG2 4.2Å; W14-T18 WeakPolarHBondContact CH2-OG1 3.47Å; W14-T18 WeakPolarHBondContact CZ2-OG1 3.35Å; W14-T18 PolarHBondContact O-N 3.42Å; W14-T18 VanDerWaalsContact O-N 3.14Å; W14-T18 PolarHBondContact O-OG1 2.83Å; W14-L66 WeakPolarHBondContact CH2-O 3.48Å; W14-L66 HydrophobicContact CZ3-CD1 4.09Å; W14-L66 WeakPolarHBondContact CZ3-O 3.03Å; W14-A69 VanDerWaalsContact CH2-C 3.42Å; W14-A69 HydrophobicContact CH2-CB 3.74Å; W14-A69 HydrophobicContact CZ2-CB 3.22Å; W14-A69 WeakPolarHBondContact CZ2-O 3.22Å; W14-L70 HydrophobicContact CZ3-CB 4.06Å
15	V	83.3	Confident	81.1	Confident	0 Å²	0	82 Å²	82	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58	-43.2	173.4	177.1	0	0	0	0	111.7	L11 R12 R17 T18 V19 V31 A34 L35 L66	L11-V15 PolarHBondContact O-N 3.44Å; R12-V15 PolarHBondContact O-N 2.95Å; V15-R17 VanDerWaalsContact C-N 3.25Å; V15-R17 PolarHBondContact O-N 2.82Å; V15-T18 PolarHBondContact O-N 3.12Å; V15-V19 HydrophobicContact CG1-CG2 4.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.44Å; V15-V19 PolarHBondContact O-N 3.14Å; V15-V31 HydrophobicContact CG1-CG1 4.45Å; V15-A34 HydrophobicContact CG1-CB 3.92Å; V15-L35 HydrophobicContact CB-CD2 4.21Å; V15-L35 HydrophobicContact CB-CG 4.36Å; V15-L35 HydrophobicContact CG1-CG 4.37Å; V15-L35 HydrophobicContact CG2-CD2 3.7Å; V15-L35 HydrophobicContact CG2-CG 4.27Å; V15-L66 HydrophobicContact CB-CD1 4.49Å; V15-L66 HydrophobicContact CG1-CD1 4.02Å; V15-L66 HydrophobicContact CG2-CD1 4.05Å
16	E	85.5	Confident	81.1	Confident	67 Å²	67	76.6 Å²	76.6	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-35.4	175.8	-73.4	168.6	175.4	0	0	112.9	R12 W14 K20 V31	R12-E16 HydrophobicContact CG-CG 4.31Å; R12-E16 WeakPolarHBondContact CG-OE1 3.3Å; R12-E16 IonicContact CZ-OE1 3.3Å; R12-E16 IonicContact NE-OE1 2.7Å; R12-E16 PolarHBondContact NE-OE1 3.39Å; R12-E16 IonicContact NH2-OE1 3.81Å; R12-E16 WeakPolarHBondContact O-CB 3.5Å; R12-E16 WeakPolarHBondContact O-CG 3.47Å; R12-E16 PolarHBondContact O-N 3.15Å; W14-E16 VanDerWaalsContact C-N 3.33Å; W14-E16 PolarHBondContact O-N 3.04Å; E16-K20 WeakPolarHBondContact O-CB 3.46Å; E16-K20 PolarHBondContact O-N 3.17Å; E16-K20 VanDerWaalsContact O-N 3.15Å; E16-V31 HydrophobicContact CB-CG2 4.45Å; E16-V31 HydrophobicContact CG-CB 4.37Å; E16-V31 HydrophobicContact CG-CG1 3.61Å; E16-V31 HydrophobicContact CG-CG2 3.82Å
17	R	84.2	Confident	81.3	Confident	157 Å²	157	70.8 Å²	70.8	59%	0.592	35%	0.346	S	S	*	.	H	α-helix	trans	-73.3	-33.5	174.5	-84.5	177.7	-74.7	146.9	-1.5	112.5	P13 W14 V15 K21	P13-R17 VanDerWaalsContact O-CZ 3.23Å; P13-R17 PolarHBondContact O-NE 3.04Å; P13-R17 PolarHBondContact O-NH2 3.35Å; W14-R17 WeakPolarHBondContact O-CB 3.42Å; W14-R17 PolarHBondContact O-N 3.42Å; W14-R17 VanDerWaalsContact O-N 3.09Å; V15-R17 VanDerWaalsContact C-N 3.25Å; V15-R17 PolarHBondContact O-N 2.82Å; R17-K21 VanDerWaalsContact O-CB 3.32Å; R17-K21 WeakPolarHBondContact O-CB 3.36Å; R17-K21 PolarHBondContact O-N 2.95Å
18	T	81.6	Confident	81.4	Confident	11 Å²	11	70.7 Å²	70.7	7%	0.067	35%	0.354	C	S	.	.	H	α-helix	trans	-73.8	-43.4	178.4	-59.5	0	0	0	0	111.3	W14 V15 K20 K21 V22 F62	W14-T18 HydrophobicContact CH2-CG2 4.2Å; W14-T18 WeakPolarHBondContact CH2-OG1 3.47Å; W14-T18 WeakPolarHBondContact CZ2-OG1 3.35Å; W14-T18 PolarHBondContact O-N 3.42Å; W14-T18 VanDerWaalsContact O-N 3.14Å; W14-T18 PolarHBondContact O-OG1 2.83Å; V15-T18 PolarHBondContact O-N 3.12Å; T18-K20 PolarHBondContact O-N 3.23Å; T18-K21 PolarHBondContact O-N 2.93Å; T18-K21 VanDerWaalsContact O-N 3.12Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 3.35Å; T18-F62 HydrophobicContact CG2-CE2 4.29Å
19	V	84.1	Confident	81.6	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-54.7	-52	170.3	174.3	0	0	0	0	110.1	V15 K21 V22 L23 V30 V31 F62	V15-V19 HydrophobicContact CG1-CG2 4.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.44Å; V15-V19 PolarHBondContact O-N 3.14Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 2.96Å; V19-V22 PolarHBondContact O-N 3.3Å; V19-V22 VanDerWaalsContact O-N 3.1Å; V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 PolarHBondContact O-N 3.05Å; V19-V30 HydrophobicContact CG1-CB 4.34Å; V19-V30 HydrophobicContact CG1-CG1 4.17Å; V19-V30 HydrophobicContact CG2-CG1 3.84Å; V19-V31 HydrophobicContact CB-CG2 4.06Å; V19-V31 HydrophobicContact CG1-CG2 4.28Å; V19-V31 HydrophobicContact CG2-CG2 3.75Å; V19-F62 HydrophobicContact CB-CE2 4.39Å; V19-F62 HydrophobicContact CG2-CE2 3.66Å; V19-F62 HydrophobicContact CG2-CZ 3.61Å
20	K	83.8	Confident	81.8	Confident	119 Å²	119	66.3 Å²	66.3	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-26.5	178	-168.5	164.5	-175.1	161	0	114.6	E16 T18 G24 F25	E16-K20 WeakPolarHBondContact O-CB 3.46Å; E16-K20 PolarHBondContact O-N 3.17Å; E16-K20 VanDerWaalsContact O-N 3.15Å; T18-K20 PolarHBondContact O-N 3.23Å; K20-G24 CarbonylContact O-C 3.46Å; K20-G24 VanDerWaalsContact O-CA 3.25Å; K20-G24 WeakPolarHBondContact O-CA 3.42Å; K20-G24 PolarHBondContact O-N 3.03Å; K20-F25 WeakPolarHBondContact CA-O 3.45Å
21	K	82.4	Confident	81.8	Confident	164 Å²	164	62.2 Å²	62.2	71%	0.713	32%	0.318	S	S	*	.	H	α-helix	trans	-76.4	-30.6	174.9	-173.2	-167.7	171.9	-161.7	0	112.3	R17 T18 V19	R17-K21 VanDerWaalsContact O-CB 3.32Å; R17-K21 WeakPolarHBondContact O-CB 3.36Å; R17-K21 PolarHBondContact O-N 2.95Å; T18-K21 PolarHBondContact O-N 2.93Å; T18-K21 VanDerWaalsContact O-N 3.12Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 2.96Å
22	V	78.3	Confident	82.2	Confident	35 Å²	35	65.6 Å²	65.6	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-93.6	-42.3	-175.5	177.7	0	0	0	0	112.3	T18 V19 F62 R65	T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 3.35Å; V19-V22 PolarHBondContact O-N 3.3Å; V19-V22 VanDerWaalsContact O-N 3.1Å; V22-F62 HydrophobicContact CB-CD2 4.03Å; V22-F62 HydrophobicContact CG1-CB 4.24Å; V22-F62 HydrophobicContact CG1-CD2 4.1Å; V22-F62 HydrophobicContact CG2-CD2 4.12Å; V22-R65 HydrophobicContact CG2-CB 4.49Å
23	L	76.9	Confident	82.3	Confident	40 Å²	40	60.9 Å²	60.9	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-97.4	-8.1	-178.4	-52.5	-179.4	0	0	0	113.5	V19 F25 V30 L55	V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 PolarHBondContact O-N 3.05Å; L23-F25 HydrophobicContact CB-CD1 4.33Å; L23-F25 HydrophobicContact CB-CE1 4.12Å; L23-F25 HydrophobicContact CB-CZ 4.33Å; L23-F25 WeakPolarHBondContact O-CD1 3.42Å; L23-F25 WeakPolarHBondContact O-CE1 3.41Å; L23-F25 PolarHBondContact O-N 3.47Å; L23-V30 HydrophobicContact CD1-CG1 4.45Å; L23-V30 HydrophobicContact CD1-CG2 4.3Å; L23-L55 HydrophobicContact CD1-CD2 3.73Å; L23-L55 HydrophobicContact CD2-CD2 4.13Å
24	G	76.3	Confident	82.3	Confident	57 Å²	57	57.5 Å²	57.5	59%	0.588	31%	0.305	S	S	*	.	S	Bend	trans	76.8	-35	-174.6	0	0	0	0	0	114.4	K20	K20-G24 CarbonylContact O-C 3.46Å; K20-G24 VanDerWaalsContact O-CA 3.25Å; K20-G24 WeakPolarHBondContact O-CA 3.42Å; K20-G24 PolarHBondContact O-N 3.03Å
25	F	77.8	Confident	82.6	Confident	121 Å²	121	56.8 Å²	56.8	53%	0.531	30%	0.303	S	S	.	.	S	Bend	trans	-105.7	166.8	171.2	62.3	-86.1	0	0	0	112.1	K20 L23 E27	K20-F25 WeakPolarHBondContact CA-O 3.45Å; L23-F25 HydrophobicContact CB-CD1 4.33Å; L23-F25 HydrophobicContact CB-CE1 4.12Å; L23-F25 HydrophobicContact CB-CZ 4.33Å; L23-F25 WeakPolarHBondContact O-CD1 3.42Å; L23-F25 WeakPolarHBondContact O-CE1 3.41Å; L23-F25 PolarHBondContact O-N 3.47Å; F25-E27 HydrophobicContact CD2-CB 4.19Å; F25-E27 HydrophobicContact CD2-CG 4.49Å; F25-E27 HydrophobicContact CE2-CB 3.93Å; F25-E27 HydrophobicContact CE2-CG 4.03Å
26	S	75.5	Confident	82.7	Confident	69 Å²	69	62.2 Å²	62.2	48%	0.483	33%	0.328	S	S	.	.			trans	-111.5	94.5	-177.8	51.3	0	0	0	0	110.8
27	E	81.7	Confident	82.8	Confident	62 Å²	62	59.1 Å²	59.1	29%	0.29	31%	0.314	S	S	.	.			trans	-88	122.8	179.4	-139.9	-167.3	132	0	0	111.4	F25 T29 V30 V31	F25-E27 HydrophobicContact CD2-CB 4.19Å; F25-E27 HydrophobicContact CD2-CG 4.49Å; F25-E27 HydrophobicContact CE2-CB 3.93Å; F25-E27 HydrophobicContact CE2-CG 4.03Å; E27-T29 VanDerWaalsContact C-N 3.34Å; E27-T29 VanDerWaalsContact CG-OG1 3.22Å; E27-T29 WeakPolarHBondContact CG-OG1 3.29Å; E27-T29 PolarHBondContact O-N 2.96Å; E27-T29 PolarHBondContact OE1-OG1 2.92Å; E27-V30 HydrophobicContact CB-CB 4.31Å; E27-V30 HydrophobicContact CB-CG2 3.96Å; E27-V30 PolarHBondContact O-N 3.08Å; E27-V31 WeakPolarHBondContact O-CG2 3.42Å; E27-V31 PolarHBondContact O-N 3.12Å
28	P	82	Confident	82.7	Confident	88 Å²	88	52.1 Å²	52.1	57%	0.571	29%	0.288	S	S	*	.	H	α-helix	trans	-72.6	-26.6	-173.7	28.5	-35	0	0	0	113.5	T32	P28-T32 WeakPolarHBondContact O-CB 3.47Å; P28-T32 PolarHBondContact O-N 3.43Å; P28-T32 PolarHBondContact O-OG1 3.18Å
29	T	84.4	Confident	82.9	Confident	73 Å²	73	52.2 Å²	52.2	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-54.9	-60.5	169.2	41.9	0	0	0	0	111.4	E27 V31 T32 A33	E27-T29 VanDerWaalsContact C-N 3.34Å; E27-T29 VanDerWaalsContact CG-OG1 3.22Å; E27-T29 WeakPolarHBondContact CG-OG1 3.29Å; E27-T29 PolarHBondContact O-N 2.96Å; E27-T29 PolarHBondContact OE1-OG1 2.92Å; T29-V31 VanDerWaalsContact C-N 3.33Å; T29-V31 PolarHBondContact O-N 2.73Å; T29-T32 PolarHBondContact O-N 3.04Å; T29-T32 VanDerWaalsContact O-N 3.09Å; T29-A33 PolarHBondContact O-N 2.98Å
30	V	84.3	Confident	82.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-45.1	178.7	179.4	0	0	0	0	110.9	V19 L23 E27 T32 A33 A34 I54 L55 F62	V19-V30 HydrophobicContact CG1-CB 4.34Å; V19-V30 HydrophobicContact CG1-CG1 4.17Å; V19-V30 HydrophobicContact CG2-CG1 3.84Å; L23-V30 HydrophobicContact CD1-CG1 4.45Å; L23-V30 HydrophobicContact CD1-CG2 4.3Å; E27-V30 HydrophobicContact CB-CB 4.31Å; E27-V30 HydrophobicContact CB-CG2 3.96Å; E27-V30 PolarHBondContact O-N 3.08Å; V30-T32 VanDerWaalsContact C-N 3.33Å; V30-T32 PolarHBondContact O-N 3.22Å; V30-A33 PolarHBondContact O-N 3.08Å; V30-A34 VanDerWaalsContact O-CB 3.23Å; V30-A34 WeakPolarHBondContact O-CB 3.4Å; V30-A34 PolarHBondContact O-N 2.84Å; V30-I54 HydrophobicContact CG2-CG2 3.76Å; V30-L55 HydrophobicContact CG1-CD1 4.08Å; V30-L55 HydrophobicContact CG1-CD2 3.95Å; V30-L55 HydrophobicContact CG1-CG 4.37Å; V30-L55 HydrophobicContact CG2-CD2 3.71Å; V30-F62 HydrophobicContact CG1-CE1 4.36Å; V30-F62 HydrophobicContact CG1-CZ 4.25Å
31	V	86.4	Confident	82.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-44.7	176	169.2	0	0	0	0	111.4	V15 E16 V19 E27 T29 L35	V15-V31 HydrophobicContact CG1-CG1 4.45Å; E16-V31 HydrophobicContact CB-CG2 4.45Å; E16-V31 HydrophobicContact CG-CB 4.37Å; E16-V31 HydrophobicContact CG-CG1 3.61Å; E16-V31 HydrophobicContact CG-CG2 3.82Å; V19-V31 HydrophobicContact CB-CG2 4.06Å; V19-V31 HydrophobicContact CG1-CG2 4.28Å; V19-V31 HydrophobicContact CG2-CG2 3.75Å; E27-V31 WeakPolarHBondContact O-CG2 3.42Å; E27-V31 PolarHBondContact O-N 3.12Å; T29-V31 VanDerWaalsContact C-N 3.33Å; T29-V31 PolarHBondContact O-N 2.73Å; V31-L35 HydrophobicContact CG1-CD1 3.79Å; V31-L35 WeakPolarHBondContact O-CB 3.12Å; V31-L35 WeakPolarHBondContact O-CD1 3.31Å; V31-L35 VanDerWaalsContact O-CG 3.24Å; V31-L35 WeakPolarHBondContact O-CG 3.44Å; V31-L35 PolarHBondContact O-N 3.18Å
32	T	88.3	Confident	82.8	Confident	84 Å²	84	47.8 Å²	47.8	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-69.8	-42.8	-178	-57	0	0	0	0	111.7	P28 T29 V30 L35 H36	P28-T32 WeakPolarHBondContact O-CB 3.47Å; P28-T32 PolarHBondContact O-N 3.43Å; P28-T32 PolarHBondContact O-OG1 3.18Å; T29-T32 PolarHBondContact O-N 3.04Å; T29-T32 VanDerWaalsContact O-N 3.09Å; V30-T32 VanDerWaalsContact C-N 3.33Å; V30-T32 PolarHBondContact O-N 3.22Å; T32-L35 PolarHBondContact O-N 2.82Å; T32-H36 WeakPolarHBondContact O-CB 3.44Å; T32-H36 PolarHBondContact O-N 3.04Å
33	A	86.2	Confident	83.1	Confident	24 Å²	24	50.6 Å²	50.6	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-44	175.8	0	0	0	0	0	111.9	T29 V30 H36 C37 L51 I54	T29-A33 PolarHBondContact O-N 2.98Å; V30-A33 PolarHBondContact O-N 3.08Å; A33-H36 PolarHBondContact O-N 3.14Å; A33-C37 PolarHBondContact O-N 3.47Å; A33-C37 PolarHBondContact O-SG 3.19Å; A33-L51 HydrophobicContact CB-CD2 3.56Å; A33-I54 HydrophobicContact CB-CD1 3.8Å
34	A	84.6	Confident	83.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-44.2	175.7	0	0	0	0	0	112.1	V15 V30 H36 C37 V38 L51 F62 L66	V15-A34 HydrophobicContact CG1-CB 3.92Å; V30-A34 VanDerWaalsContact O-CB 3.23Å; V30-A34 WeakPolarHBondContact O-CB 3.4Å; V30-A34 PolarHBondContact O-N 2.84Å; A34-H36 VanDerWaalsContact C-N 3.34Å; A34-H36 PolarHBondContact O-N 3.44Å; A34-C37 PolarHBondContact O-N 3.48Å; A34-V38 WeakPolarHBondContact O-CB 3.32Å; A34-V38 WeakPolarHBondContact O-CG2 3.4Å; A34-V38 PolarHBondContact O-N 3.11Å; A34-L51 HydrophobicContact CB-CD1 4.44Å; A34-F62 HydrophobicContact CB-CE1 4.19Å; A34-F62 HydrophobicContact CB-CZ 4.33Å; A34-L66 HydrophobicContact CB-CD2 3.99Å
35	L	86.6	Confident	83.9	Confident	19 Å²	19	58.7 Å²	58.7	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-34.1	176.2	-74.6	168	0	0	0	112.9	V8 L11 R12 V15 V31 T32 G39	V8-L35 HydrophobicContact CG1-CB 4.07Å; V8-L35 HydrophobicContact CG1-CD2 3.96Å; L11-L35 HydrophobicContact CB-CD2 4.39Å; R12-L35 HydrophobicContact CB-CD1 3.68Å; R12-L35 HydrophobicContact CB-CD2 4.33Å; R12-L35 HydrophobicContact CG-CD1 3.8Å; V15-L35 HydrophobicContact CB-CD2 4.21Å; V15-L35 HydrophobicContact CB-CG 4.36Å; V15-L35 HydrophobicContact CG1-CG 4.37Å; V15-L35 HydrophobicContact CG2-CD2 3.7Å; V15-L35 HydrophobicContact CG2-CG 4.27Å; V31-L35 HydrophobicContact CG1-CD1 3.79Å; V31-L35 WeakPolarHBondContact O-CB 3.12Å; V31-L35 WeakPolarHBondContact O-CD1 3.31Å; V31-L35 VanDerWaalsContact O-CG 3.24Å; V31-L35 WeakPolarHBondContact O-CG 3.44Å; V31-L35 PolarHBondContact O-N 3.18Å; T32-L35 PolarHBondContact O-N 2.82Å; L35-G39 PolarHBondContact O-N 3.39Å
36	H	86.9	Confident	84.3	Confident	114 Å²	114	58.2 Å²	58.2	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-43.6	173.8	169.9	-99.6	0	0	0	112.2	T32 A33 A34 G39 K40	T32-H36 WeakPolarHBondContact O-CB 3.44Å; T32-H36 PolarHBondContact O-N 3.04Å; A33-H36 PolarHBondContact O-N 3.14Å; A34-H36 VanDerWaalsContact C-N 3.34Å; A34-H36 PolarHBondContact O-N 3.44Å; H36-G39 PolarHBondContact O-N 3.43Å; H36-K40 PolarHBondContact CE1-NZ 3.27Å; H36-K40 PolarHBondContact NE2-NZ 3.02Å; H36-K40 PolarHBondContact O-N 3.04Å
37	C	86.3	Confident	84.8	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-45.3	175.8	-64.1	0	0	0	0	112	A33 A34 K40 G41 L42 T47	A33-C37 PolarHBondContact O-N 3.47Å; A33-C37 PolarHBondContact O-SG 3.19Å; A34-C37 PolarHBondContact O-N 3.48Å; C37-K40 PolarHBondContact O-N 3.48Å; C37-G41 PolarHBondContact O-N 3.2Å; C37-L42 HydrophobicContact CB-CD1 4.04Å; C37-L42 PolarHBondContact O-N 2.94Å; C37-L42 VanDerWaalsContact O-N 3.15Å; C37-T47 HydrophobicContact CB-CG2 3.75Å
38	V	83.6	Confident	85.1	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175	165.7	0	0	0	0	111.4	L3 L11 A34 G41 L66 L70	L3-V38 HydrophobicContact CD1-CG1 3.93Å; L11-V38 HydrophobicContact CD1-CG1 4.11Å; A34-V38 WeakPolarHBondContact O-CB 3.32Å; A34-V38 WeakPolarHBondContact O-CG2 3.4Å; A34-V38 PolarHBondContact O-N 3.11Å; V38-G41 WeakPolarHBondContact O-CA 3.44Å; V38-G41 PolarHBondContact O-N 2.96Å; V38-L66 HydrophobicContact CG2-CD2 4.3Å; V38-L70 HydrophobicContact CG1-CD1 3.66Å; V38-L70 HydrophobicContact CG2-CD1 4.01Å
39	G	84.1	Confident	85.3	Confident	14 Å²	14	54.3 Å²	54.3	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-39.7	177.7	0	0	0	0	0	113.2	S2 L3 L35 H36 G41	S2-G39 CarbonylContact C-O 3.57Å; S2-G39 VanDerWaalsContact CA-O 3.25Å; S2-G39 WeakPolarHBondContact CA-O 3.29Å; S2-G39 VanDerWaalsContact CB-O 3.31Å; S2-G39 WeakPolarHBondContact CB-O 3.37Å; L3-G39 PolarHBondContact N-O 2.68Å; L35-G39 PolarHBondContact O-N 3.39Å; H36-G39 PolarHBondContact O-N 3.43Å; G39-G41 PolarHBondContact O-N 3.23Å
40	K	83.7	Confident	85.3	Confident	114 Å²	114	55.9 Å²	55.9	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-70.4	-17.7	170.7	-76.7	-177.5	172	-177.3	0	113.3	H36 C37 L42	H36-K40 PolarHBondContact CE1-NZ 3.27Å; H36-K40 PolarHBondContact NE2-NZ 3.02Å; H36-K40 PolarHBondContact O-N 3.04Å; C37-K40 PolarHBondContact O-N 3.48Å; K40-L42 HydrophobicContact CB-CD2 4.4Å; K40-L42 HydrophobicContact CB-CG 4.15Å
41	G	81.8	Confident	85.4	Confident	31 Å²	31	55.9 Å²	55.9	32%	0.32	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	42.5	-178.7	0	0	0	0	0	112.4	C37 V38 G39	C37-G41 PolarHBondContact O-N 3.2Å; V38-G41 WeakPolarHBondContact O-CA 3.44Å; V38-G41 PolarHBondContact O-N 2.96Å; G39-G41 PolarHBondContact O-N 3.23Å
42	L	83.7	Confident	85.4	Confident	45 Å²	45	62.2 Å²	62.2	24%	0.236	31%	0.31	C	S	.	.			trans	-69.4	152.9	175.4	-62.1	-178.7	0	0	0	111.6	C37 K40 K46 Q50 F67	C37-L42 HydrophobicContact CB-CD1 4.04Å; C37-L42 PolarHBondContact O-N 2.94Å; C37-L42 VanDerWaalsContact O-N 3.15Å; K40-L42 HydrophobicContact CB-CD2 4.4Å; K40-L42 HydrophobicContact CB-CG 4.15Å; L42-K46 HydrophobicContact CB-CB 4.35Å; L42-Q50 HydrophobicContact CD1-CG 4.2Å; L42-F67 WeakPolarHBondContact O-CZ 3.31Å
43	D	84.7	Confident	85.2	Confident	93 Å²	93	63.3 Å²	63.3	50%	0.497	32%	0.319	S	S	.	.			trans	-70.8	161.4	174.8	-51	-66.8	0	0	0	111.7	K45 K46 T47	D43-K45 PolarHBondContact O-N 2.95Å; D43-K46 HydrophobicContact CB-CD 4.38Å; D43-K46 PolarHBondContact O-N 3.02Å; D43-K46 WeakPolarHBondContact OD2-CD 3.49Å; D43-K46 VanDerWaalsContact OD2-CE 3.29Å; D43-K46 WeakPolarHBondContact OD2-CE 3.24Å; D43-K46 IonicContact OD2-NZ 2.69Å; D43-K46 PolarHBondContact OD2-NZ 2.98Å; D43-T47 WeakPolarHBondContact O-CB 3.23Å; D43-T47 PolarHBondContact O-N 3.42Å; D43-T47 PolarHBondContact O-OG1 3.42Å
44	K	85.3	Confident	85	Confident	95 Å²	95	65.4 Å²	65.4	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-50.7	-53.2	178.5	-64.9	-173.4	-175.3	-173.5	0	111.8	K46 T47 T48 V63 F67	K44-K46 PolarHBondContact O-N 3.45Å; K44-T47 WeakPolarHBondContact O-CB 3.38Å; K44-T47 PolarHBondContact O-N 2.9Å; K44-T47 VanDerWaalsContact O-N 3.15Å; K44-T48 PolarHBondContact O-N 3.16Å; K44-T48 PolarHBondContact O-OG1 3.09Å; K44-V63 HydrophobicContact CB-CG1 4.33Å; K44-V63 WeakPolarHBondContact O-CG1 3.21Å; K44-F67 HydrophobicContact CD-CB 4.28Å; K44-F67 HydrophobicContact CD-CG 4.36Å; K44-F67 HydrophobicContact CG-CB 4.31Å; K44-F67 HydrophobicContact CG-CD1 4.01Å; K44-F67 HydrophobicContact CG-CD2 4Å; K44-F67 HydrophobicContact CG-CE1 4.32Å; K44-F67 HydrophobicContact CG-CE2 4.3Å; K44-F67 HydrophobicContact CG-CG 3.84Å; K44-F67 HydrophobicContact CG-CZ 4.45Å
45	K	85.2	Confident	84.8	Confident	172 Å²	172	66 Å²	66	75%	0.748	33%	0.329	S	S	*	.	H	α-helix	trans	-54.9	-55.7	178.8	-64.9	-171.4	177.6	-173.3	0	112.5	D43 T47 T48 D49	D43-K45 PolarHBondContact O-N 2.95Å; K45-T47 PolarHBondContact O-N 2.91Å; K45-T48 WeakPolarHBondContact O-CA 3.32Å; K45-T48 VanDerWaalsContact O-CB 3.3Å; K45-T48 WeakPolarHBondContact O-CB 3.27Å; K45-T48 PolarHBondContact O-N 3.09Å; K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 2.7Å; K45-D49 VanDerWaalsContact O-OD2 3.05Å
46	K	85.7	Confident	84.7	Confident	111 Å²	111	70.5 Å²	70.5	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-30.6	179.1	-63.4	172.3	-173	156.4	0	113	L42 D43 K44 Q50	L42-K46 HydrophobicContact CB-CB 4.35Å; D43-K46 HydrophobicContact CB-CD 4.38Å; D43-K46 PolarHBondContact O-N 3.02Å; D43-K46 WeakPolarHBondContact OD2-CD 3.49Å; D43-K46 VanDerWaalsContact OD2-CE 3.29Å; D43-K46 WeakPolarHBondContact OD2-CE 3.24Å; D43-K46 IonicContact OD2-NZ 2.69Å; D43-K46 PolarHBondContact OD2-NZ 2.98Å; K44-K46 PolarHBondContact O-N 3.45Å; K46-Q50 WeakPolarHBondContact O-CB 3.33Å; K46-Q50 WeakPolarHBondContact O-CG 3.37Å; K46-Q50 PolarHBondContact O-N 2.88Å; K46-Q50 VanDerWaalsContact O-N 3.12Å
47	T	86	Confident	84.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-73.2	-40	174.5	-52.8	0	0	0	0	111.2	C37 D43 K44 K45 Q50 L51 V63 F67	C37-T47 HydrophobicContact CB-CG2 3.75Å; D43-T47 WeakPolarHBondContact O-CB 3.23Å; D43-T47 PolarHBondContact O-N 3.42Å; D43-T47 PolarHBondContact O-OG1 3.42Å; K44-T47 WeakPolarHBondContact O-CB 3.38Å; K44-T47 PolarHBondContact O-N 2.9Å; K44-T47 VanDerWaalsContact O-N 3.15Å; K45-T47 PolarHBondContact O-N 2.91Å; T47-Q50 PolarHBondContact O-N 3.06Å; T47-L51 HydrophobicContact CG2-CD1 3.96Å; T47-L51 HydrophobicContact CG2-CG 4.47Å; T47-L51 WeakPolarHBondContact O-CB 3.19Å; T47-L51 WeakPolarHBondContact O-CG 3.46Å; T47-L51 PolarHBondContact O-N 3.43Å; T47-V63 HydrophobicContact CG2-CG1 4.18Å; T47-V63 HydrophobicContact CG2-CG2 3.82Å; T47-F67 HydrophobicContact CG2-CE2 4.1Å
48	T	86.8	Confident	83.6	Confident	33 Å²	33	73.8 Å²	73.8	20%	0.202	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-47.5	171.2	-55.2	0	0	0	0	110.7	K44 K45 Q50 L51 R52 A59	K44-T48 PolarHBondContact O-N 3.16Å; K44-T48 PolarHBondContact O-OG1 3.09Å; K45-T48 WeakPolarHBondContact O-CA 3.32Å; K45-T48 VanDerWaalsContact O-CB 3.3Å; K45-T48 WeakPolarHBondContact O-CB 3.27Å; K45-T48 PolarHBondContact O-N 3.09Å; T48-Q50 VanDerWaalsContact C-N 3.32Å; T48-Q50 PolarHBondContact O-N 2.86Å; T48-L51 PolarHBondContact O-N 2.97Å; T48-L51 VanDerWaalsContact O-N 3.14Å; T48-R52 WeakPolarHBondContact O-CB 3.45Å; T48-R52 PolarHBondContact O-N 3.39Å; T48-A59 HydrophobicContact CG2-CB 4.08Å
49	D	87.6	Confident	83.6	Confident	105 Å²	105	73.4 Å²	73.4	56%	0.561	38%	0.377	S	S	*	.	H	α-helix	trans	-61.3	-38.3	-179.9	-54.9	-40.5	0	0	0	112.3	K45	K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 2.7Å; K45-D49 VanDerWaalsContact O-OD2 3.05Å
50	Q	84.3	Confident	83.4	Confident	105 Å²	105	74 Å²	74	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-73.6	-25.6	176.4	-73.6	-77.6	-65	0	0	114	L42 K46 T47 T48	L42-Q50 HydrophobicContact CD1-CG 4.2Å; K46-Q50 WeakPolarHBondContact O-CB 3.33Å; K46-Q50 WeakPolarHBondContact O-CG 3.37Å; K46-Q50 PolarHBondContact O-N 2.88Å; K46-Q50 VanDerWaalsContact O-N 3.12Å; T47-Q50 PolarHBondContact O-N 3.06Å; T48-Q50 VanDerWaalsContact C-N 3.32Å; T48-Q50 PolarHBondContact O-N 2.86Å
51	L	85.3	Confident	83.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-99.3	-13.4	-179.9	-66	179.4	0	0	0	113.6	A33 A34 T47 T48 P53 I54 L55 A59 F62 V63	A33-L51 HydrophobicContact CB-CD2 3.56Å; A34-L51 HydrophobicContact CB-CD1 4.44Å; T47-L51 HydrophobicContact CG2-CD1 3.96Å; T47-L51 HydrophobicContact CG2-CG 4.47Å; T47-L51 WeakPolarHBondContact O-CB 3.19Å; T47-L51 WeakPolarHBondContact O-CG 3.46Å; T47-L51 PolarHBondContact O-N 3.43Å; T48-L51 PolarHBondContact O-N 2.97Å; T48-L51 VanDerWaalsContact O-N 3.14Å; L51-P53 VanDerWaalsContact C-CD 3.49Å; L51-P53 VanDerWaalsContact C-N 3.35Å; L51-I54 HydrophobicContact CD2-CD1 4.38Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-L55 HydrophobicContact CB-CD1 4.31Å; L51-L55 PolarHBondContact O-N 3.28Å; L51-A59 HydrophobicContact CB-CB 4.48Å; L51-F62 HydrophobicContact CD1-CD1 3.86Å; L51-F62 HydrophobicContact CD1-CE1 3.71Å; L51-V63 HydrophobicContact CD1-CG2 3.82Å
52	R	87.6	Confident	83.4	Confident	137 Å²	137	68.6 Å²	68.6	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-55.4	-39.3	176.3	-161	175.7	-169.4	-172.5	0.7	113.3	T48 I54 D56 D57 A59	T48-R52 WeakPolarHBondContact O-CB 3.45Å; T48-R52 PolarHBondContact O-N 3.39Å; R52-I54 PolarHBondContact O-N 3.29Å; R52-D56 WeakPolarHBondContact O-CA 3.46Å; R52-D56 PolarHBondContact O-N 2.97Å; R52-D57 IonicContact CZ-OD1 2.73Å; R52-D57 IonicContact NE-OD1 3.54Å; R52-D57 IonicContact NH2-OD1 2.68Å; R52-D57 PolarHBondContact NH2-OD1 3.29Å; R52-A59 HydrophobicContact CB-CB 4.31Å
53	P	84.1	Confident	83.6	Confident	106 Å²	106	66.5 Å²	66.5	69%	0.688	35%	0.349	S	S	*	.	H	α-helix	trans	-70.3	1.8	175.8	-19.6	33.9	0	0	0	115.7	L51	L51-P53 VanDerWaalsContact C-CD 3.49Å; L51-P53 VanDerWaalsContact C-N 3.35Å
54	I	82	Confident	83.7	Confident	69 Å²	69	68.4 Å²	68.4	35%	0.354	35%	0.354	S	S	.	.	H	α-helix	trans	-124.8	-28.5	-177.7	-43.5	178.3	0	0	0	111.1	V30 A33 L51 R52	V30-I54 HydrophobicContact CG2-CG2 3.76Å; A33-I54 HydrophobicContact CB-CD1 3.8Å; L51-I54 HydrophobicContact CD2-CD1 4.38Å; L51-I54 PolarHBondContact O-N 2.86Å; R52-I54 PolarHBondContact O-N 3.29Å
55	L	80.3	Confident	83.6	Confident	11 Å²	11	69.7 Å²	69.7	6%	0.058	36%	0.357	C	S	.	.	H	α-helix	trans	-121.6	1.4	-175.1	-61.4	-177.9	0	0	0	113.5	L23 V30 L51 S58 A59 F62	L23-L55 HydrophobicContact CD1-CD2 3.73Å; L23-L55 HydrophobicContact CD2-CD2 4.13Å; V30-L55 HydrophobicContact CG1-CD1 4.08Å; V30-L55 HydrophobicContact CG1-CD2 3.95Å; V30-L55 HydrophobicContact CG1-CG 4.37Å; V30-L55 HydrophobicContact CG2-CD2 3.71Å; L51-L55 HydrophobicContact CB-CD1 4.31Å; L51-L55 PolarHBondContact O-N 3.28Å; L55-S58 WeakPolarHBondContact O-CB 3.49Å; L55-S58 PolarHBondContact O-N 3.36Å; L55-S58 PolarHBondContact O-OG 3.24Å; L55-A59 HydrophobicContact CB-CB 3.97Å; L55-F62 HydrophobicContact CD1-CB 3.87Å; L55-F62 HydrophobicContact CD1-CD1 3.38Å; L55-F62 HydrophobicContact CD1-CD2 4.48Å; L55-F62 HydrophobicContact CD1-CE1 4.06Å; L55-F62 HydrophobicContact CD1-CG 3.64Å
56	D	82.8	Confident	83.6	Confident	115 Å²	115	61.5 Å²	61.5	62%	0.615	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	44.2	-135.8	-174.1	-59.9	-45.2	0	0	0	111.8	R52 S58 A59	R52-D56 WeakPolarHBondContact O-CA 3.46Å; R52-D56 PolarHBondContact O-N 2.97Å; D56-S58 PolarHBondContact O-N 3.06Å; D56-S58 VanDerWaalsContact O-N 3.16Å; D56-A59 WeakPolarHBondContact O-CB 3.36Å; D56-A59 PolarHBondContact O-N 3.31Å; D56-A59 VanDerWaalsContact O-N 3.09Å
57	D	74.6	Confident	83.6	Confident	129 Å²	129	57.7 Å²	57.7	69%	0.69	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10.3	-178.2	-63.2	-39.1	0	0	0	113.8	R52 A59	R52-D57 IonicContact CZ-OD1 2.73Å; R52-D57 IonicContact NE-OD1 3.54Å; R52-D57 IonicContact NH2-OD1 2.68Å; R52-D57 PolarHBondContact NH2-OD1 3.29Å; D57-A59 VanDerWaalsContact C-N 3.26Å; D57-A59 PolarHBondContact O-N 2.95Å
58	S	77.6	Confident	83.6	Confident	56 Å²	56	63.2 Å²	63.2	39%	0.392	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-76	-13.3	171.5	83.9	0	0	0	0	113.5	L55 D56 G60 G61 F62	L55-S58 WeakPolarHBondContact O-CB 3.49Å; L55-S58 PolarHBondContact O-N 3.36Å; L55-S58 PolarHBondContact O-OG 3.24Å; D56-S58 PolarHBondContact O-N 3.06Å; D56-S58 VanDerWaalsContact O-N 3.16Å; S58-G60 VanDerWaalsContact C-N 3.28Å; S58-G60 PolarHBondContact O-N 2.89Å; S58-G61 PolarHBondContact O-N 3.03Å; S58-F62 PolarHBondContact O-N 3.2Å
59	A	82.2	Confident	83.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-55	-39.5	-178.5	0	0	0	0	0	113.3	T48 L51 R52 L55 D56 D57 F62 V63	T48-A59 HydrophobicContact CG2-CB 4.08Å; L51-A59 HydrophobicContact CB-CB 4.48Å; R52-A59 HydrophobicContact CB-CB 4.31Å; L55-A59 HydrophobicContact CB-CB 3.97Å; D56-A59 WeakPolarHBondContact O-CB 3.36Å; D56-A59 PolarHBondContact O-N 3.31Å; D56-A59 VanDerWaalsContact O-N 3.09Å; D57-A59 VanDerWaalsContact C-N 3.26Å; D57-A59 PolarHBondContact O-N 2.95Å; A59-F62 PolarHBondContact O-N 3.14Å; A59-V63 WeakPolarHBondContact O-CB 3.38Å; A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.35Å
60	G	81.2	Confident	82.7	Confident	26 Å²	26	58.4 Å²	58.4	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-57	-179.6	0	0	0	0	0	112.3	S58 F62 V63 E64	S58-G60 VanDerWaalsContact C-N 3.28Å; S58-G60 PolarHBondContact O-N 2.89Å; G60-F62 VanDerWaalsContact C-N 3.25Å; G60-F62 PolarHBondContact O-N 2.9Å; G60-V63 PolarHBondContact O-N 3.44Å; G60-V63 VanDerWaalsContact O-N 3.12Å; G60-E64 PolarHBondContact O-N 2.89Å
61	G	80.4	Confident	82.5	Confident	32 Å²	32	58 Å²	58	33%	0.33	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-22.4	178.8	0	0	0	0	0	114	S58 R65	S58-G61 PolarHBondContact O-N 3.03Å; G61-R65 VanDerWaalsContact O-CD 3.27Å; G61-R65 WeakPolarHBondContact O-CD 3.48Å; G61-R65 VanDerWaalsContact O-CG 3.31Å; G61-R65 WeakPolarHBondContact O-CG 3.23Å
62	F	84.8	Confident	82.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.6	-49.2	167.4	174.5	-105.2	0	0	0	111.7	T18 V19 V22 V30 A34 L51 L55 S58 A59 G60 E64 R65 L66	T18-F62 HydrophobicContact CG2-CE2 4.29Å; V19-F62 HydrophobicContact CB-CE2 4.39Å; V19-F62 HydrophobicContact CG2-CE2 3.66Å; V19-F62 HydrophobicContact CG2-CZ 3.61Å; V22-F62 HydrophobicContact CB-CD2 4.03Å; V22-F62 HydrophobicContact CG1-CB 4.24Å; V22-F62 HydrophobicContact CG1-CD2 4.1Å; V22-F62 HydrophobicContact CG2-CD2 4.12Å; V30-F62 HydrophobicContact CG1-CE1 4.36Å; V30-F62 HydrophobicContact CG1-CZ 4.25Å; A34-F62 HydrophobicContact CB-CE1 4.19Å; A34-F62 HydrophobicContact CB-CZ 4.33Å; L51-F62 HydrophobicContact CD1-CD1 3.86Å; L51-F62 HydrophobicContact CD1-CE1 3.71Å; L55-F62 HydrophobicContact CD1-CB 3.87Å; L55-F62 HydrophobicContact CD1-CD1 3.38Å; L55-F62 HydrophobicContact CD1-CD2 4.48Å; L55-F62 HydrophobicContact CD1-CE1 4.06Å; L55-F62 HydrophobicContact CD1-CG 3.64Å; S58-F62 PolarHBondContact O-N 3.2Å; A59-F62 PolarHBondContact O-N 3.14Å; G60-F62 VanDerWaalsContact C-N 3.25Å; G60-F62 PolarHBondContact O-N 2.9Å; F62-E64 PolarHBondContact O-N 2.91Å; F62-R65 PolarHBondContact O-N 3.33Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.97Å; F62-L66 HydrophobicContact CZ-CB 4.48Å; F62-L66 HydrophobicContact CZ-CD1 4.07Å; F62-L66 HydrophobicContact CZ-CD2 4.34Å; F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 PolarHBondContact O-N 3.1Å
63	V	87.4	Confident	81.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-37.4	-175.8	168	0	0	0	0	112.4	K44 T47 L51 A59 G60 L66 F67	K44-V63 HydrophobicContact CB-CG1 4.33Å; K44-V63 WeakPolarHBondContact O-CG1 3.21Å; T47-V63 HydrophobicContact CG2-CG1 4.18Å; T47-V63 HydrophobicContact CG2-CG2 3.82Å; L51-V63 HydrophobicContact CD1-CG2 3.82Å; A59-V63 WeakPolarHBondContact O-CB 3.38Å; A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.35Å; G60-V63 PolarHBondContact O-N 3.44Å; G60-V63 VanDerWaalsContact O-N 3.12Å; V63-L66 WeakPolarHBondContact O-CB 3.41Å; V63-L66 PolarHBondContact O-N 3.37Å; V63-F67 HydrophobicContact CG1-CD2 3.88Å; V63-F67 HydrophobicContact CG1-CE2 3.97Å; V63-F67 WeakPolarHBondContact O-CD2 3.4Å; V63-F67 PolarHBondContact O-N 3.23Å
64	E	86.9	Confident	80.7	Confident	132 Å²	132	62.1 Å²	62.1	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-58.6	-51.3	174.2	-70.5	-176.5	150.3	0	0	111.6	G60 F62 L66 F67 E68	G60-E64 PolarHBondContact O-N 2.89Å; F62-E64 PolarHBondContact O-N 2.91Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.44Å; E64-F67 PolarHBondContact O-N 2.74Å; E64-E68 VanDerWaalsContact O-CB 3.27Å; E64-E68 WeakPolarHBondContact O-CB 3.27Å; E64-E68 PolarHBondContact O-N 2.72Å
65	R	82.6	Confident	80	Confident	122 Å²	122	64.6 Å²	64.6	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-28.4	177.8	-65.7	171.6	-178.6	165.1	0.8	113	V22 G61 F62	V22-R65 HydrophobicContact CG2-CB 4.49Å; G61-R65 VanDerWaalsContact O-CD 3.27Å; G61-R65 WeakPolarHBondContact O-CD 3.48Å; G61-R65 VanDerWaalsContact O-CG 3.31Å; G61-R65 WeakPolarHBondContact O-CG 3.23Å; F62-R65 PolarHBondContact O-N 3.33Å
66	L	84.9	Confident	79.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68.2	-45.3	174.7	-177.2	71.5	0	0	0	111.1	W14 V15 A34 V38 F62 V63 E64 L70	W14-L66 WeakPolarHBondContact CH2-O 3.48Å; W14-L66 HydrophobicContact CZ3-CD1 4.09Å; W14-L66 WeakPolarHBondContact CZ3-O 3.03Å; V15-L66 HydrophobicContact CB-CD1 4.49Å; V15-L66 HydrophobicContact CG1-CD1 4.02Å; V15-L66 HydrophobicContact CG2-CD1 4.05Å; A34-L66 HydrophobicContact CB-CD2 3.99Å; V38-L66 HydrophobicContact CG2-CD2 4.3Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.97Å; F62-L66 HydrophobicContact CZ-CB 4.48Å; F62-L66 HydrophobicContact CZ-CD1 4.07Å; F62-L66 HydrophobicContact CZ-CD2 4.34Å; F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 PolarHBondContact O-N 3.1Å; V63-L66 WeakPolarHBondContact O-CB 3.41Å; V63-L66 PolarHBondContact O-N 3.37Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.44Å; L66-L70 WeakPolarHBondContact O-CB 3.35Å; L66-L70 PolarHBondContact O-N 2.75Å
67	F	85.9	Confident	78.3	Confident	31 Å²	31	67.8 Å²	67.8	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-77.3	-44.8	179.6	-85	-100.9	0	0	0	112.9	L42 K44 T47 V63 E64 A69 L70 E71	L42-F67 WeakPolarHBondContact O-CZ 3.31Å; K44-F67 HydrophobicContact CD-CB 4.28Å; K44-F67 HydrophobicContact CD-CG 4.36Å; K44-F67 HydrophobicContact CG-CB 4.31Å; K44-F67 HydrophobicContact CG-CD1 4.01Å; K44-F67 HydrophobicContact CG-CD2 4Å; K44-F67 HydrophobicContact CG-CE1 4.32Å; K44-F67 HydrophobicContact CG-CE2 4.3Å; K44-F67 HydrophobicContact CG-CG 3.84Å; K44-F67 HydrophobicContact CG-CZ 4.45Å; T47-F67 HydrophobicContact CG2-CE2 4.1Å; V63-F67 HydrophobicContact CG1-CD2 3.88Å; V63-F67 HydrophobicContact CG1-CE2 3.97Å; V63-F67 WeakPolarHBondContact O-CD2 3.4Å; V63-F67 PolarHBondContact O-N 3.23Å; E64-F67 PolarHBondContact O-N 2.74Å; F67-A69 VanDerWaalsContact C-N 3.34Å; F67-A69 PolarHBondContact O-N 3.23Å; F67-L70 PolarHBondContact O-N 2.8Å; F67-L70 VanDerWaalsContact O-N 3.12Å; F67-E71 PolarHBondContact O-N 3.01Å
68	E	85.6	Confident	77.1	Confident	116 Å²	116	64.4 Å²	64.4	54%	0.542	34%	0.337	S	S	.	.	H	α-helix	trans	-46.6	-55	178.3	173.9	-169	-149.3	0	0	111.7	E64 E71 E72	E64-E68 VanDerWaalsContact O-CB 3.27Å; E64-E68 WeakPolarHBondContact O-CB 3.27Å; E64-E68 PolarHBondContact O-N 2.72Å; E68-E71 WeakPolarHBondContact O-CB 3.38Å; E68-E71 PolarHBondContact O-N 2.88Å; E68-E72 PolarHBondContact O-N 3.08Å
69	A	77.9	Confident	75.6	Confident	13 Å²	13	67 Å²	67	11%	0.107	36%	0.356	C	S	.	.	H	α-helix	trans	-92.6	-0.9	-175.1	0	0	0	0	0	113.9	W14 F67 E72 S73	W14-A69 VanDerWaalsContact CH2-C 3.42Å; W14-A69 HydrophobicContact CH2-CB 3.74Å; W14-A69 HydrophobicContact CZ2-CB 3.22Å; W14-A69 WeakPolarHBondContact CZ2-O 3.22Å; F67-A69 VanDerWaalsContact C-N 3.34Å; F67-A69 PolarHBondContact O-N 3.23Å; A69-E72 HydrophobicContact CB-CB 4.34Å; A69-E72 HydrophobicContact CB-CG 4.17Å; A69-E72 VanDerWaalsContact CB-OE2 3.28Å; A69-E72 WeakPolarHBondContact CB-OE2 3.37Å; A69-S73 WeakPolarHBondContact O-CB 3.36Å; A69-S73 PolarHBondContact O-N 3.25Å; A69-S73 VanDerWaalsContact O-N 3.1Å
70	L	78.8	Confident	73.8	Confident	25 Å²	25	76 Å²	76	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-76.2	-34.7	156.8	-172.1	151.9	0	0	0	110.7	L11 W14 V38 L66 F67 S73 R74	L11-L70 HydrophobicContact CD1-CD1 4.13Å; L11-L70 HydrophobicContact CD2-CG 4.47Å; W14-L70 HydrophobicContact CZ3-CB 4.06Å; V38-L70 HydrophobicContact CG1-CD1 3.66Å; V38-L70 HydrophobicContact CG2-CD1 4.01Å; L66-L70 WeakPolarHBondContact O-CB 3.35Å; L66-L70 PolarHBondContact O-N 2.75Å; F67-L70 PolarHBondContact O-N 2.8Å; F67-L70 VanDerWaalsContact O-N 3.12Å; L70-S73 WeakPolarHBondContact O-CB 3.11Å; L70-S73 PolarHBondContact O-N 2.7Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.37Å
71	E	79.9	Confident	71.7	Confident	95 Å²	95	78 Å²	78	44%	0.444	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-42.3	169.1	-68.9	166.4	-170.3	0	0	110.9	F67 E68 S73 R74 N75	F67-E71 PolarHBondContact O-N 3.01Å; E68-E71 WeakPolarHBondContact O-CB 3.38Å; E68-E71 PolarHBondContact O-N 2.88Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.42Å; E71-R74 PolarHBondContact O-N 3.12Å; E71-N75 WeakPolarHBondContact O-CB 3.36Å; E71-N75 VanDerWaalsContact O-CG 3.31Å; E71-N75 PolarHBondContact O-N 3.12Å
72	E	77.4	Confident	69.4	Low	129 Å²	129	80.2 Å²	80.2	60%	0.603	44%	0.438	S	S	*	.	H	α-helix	trans	-52.7	-48.7	167.4	-71.4	-168.8	134.9	0	0	111.7	E68 A69 R74 N75 S76	E68-E72 PolarHBondContact O-N 3.08Å; A69-E72 HydrophobicContact CB-CB 4.34Å; A69-E72 HydrophobicContact CB-CG 4.17Å; A69-E72 VanDerWaalsContact CB-OE2 3.28Å; A69-E72 WeakPolarHBondContact CB-OE2 3.37Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.27Å; E72-N75 PolarHBondContact O-N 3.33Å; E72-S76 WeakPolarHBondContact O-CB 3.38Å; E72-S76 PolarHBondContact O-N 3.3Å
73	S	70.1	Confident	67.1	Low	18 Å²	18	85.9 Å²	85.9	13%	0.126	48%	0.477	C	S	.	.	H	α-helix	trans	-58.4	-45.5	178.8	-178.6	0	0	0	0	111.2	A69 L70 E71 S76 R77	A69-S73 WeakPolarHBondContact O-CB 3.36Å; A69-S73 PolarHBondContact O-N 3.25Å; A69-S73 VanDerWaalsContact O-N 3.1Å; L70-S73 WeakPolarHBondContact O-CB 3.11Å; L70-S73 PolarHBondContact O-N 2.7Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.42Å; S73-S76 PolarHBondContact O-N 3.16Å; S73-S76 PolarHBondContact O-OG 2.9Å; S73-R77 WeakPolarHBondContact O-CG 3.33Å; S73-R77 PolarHBondContact O-N 3.26Å; S73-R77 VanDerWaalsContact O-N 3.14Å
74	R	71.4	Confident	64.8	Low	184 Å²	184	94.7 Å²	94.7	69%	0.694	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-41.7	179.2	-158.1	171.7	110.7	-174.1	2.8	112.2	L70 E71 E72 R77 G78	L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.37Å; E71-R74 PolarHBondContact O-N 3.12Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.27Å; R74-R77 PolarHBondContact O-N 2.83Å; R74-G78 PolarHBondContact O-N 3.48Å
75	N	68.2	Low	62.5	Low	120 Å²	120	97.9 Å²	97.9	64%	0.642	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-38.9	176.4	-69.7	-3.5	0	0	0	111.6	E71 E72 R77 G78 S79	E71-N75 WeakPolarHBondContact O-CB 3.36Å; E71-N75 VanDerWaalsContact O-CG 3.31Å; E71-N75 PolarHBondContact O-N 3.12Å; E72-N75 PolarHBondContact O-N 3.33Å; N75-R77 VanDerWaalsContact C-N 3.29Å; N75-R77 PolarHBondContact O-N 2.88Å; N75-G78 PolarHBondContact O-N 3.05Å; N75-S79 PolarHBondContact O-N 2.95Å
76	S	64.1	Low	60.2	Low	80 Å²	80	101.1 Å²	101.1	56%	0.559	55%	0.55	S	S	*	*	H	α-helix	trans	-64	-31	175.1	83.2	0	0	0	0	113.5	E72 S73	E72-S76 WeakPolarHBondContact O-CB 3.38Å; E72-S76 PolarHBondContact O-N 3.3Å; S73-S76 PolarHBondContact O-N 3.16Å; S73-S76 PolarHBondContact O-OG 2.9Å
77	R	62	Low	57.8	Low	114 Å²	114	113 Å²	113	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-76	-44.6	173.9	-69.5	170.5	178	-116.4	-1.4	111.5	E10 S73 R74 N75 S79 K80	E10-R77 IonicContact OE2-CZ 3.82Å; E10-R77 IonicContact OE2-NH1 3.45Å; E10-R77 PolarHBondContact OE2-NH1 3.34Å; E10-R77 IonicContact OE2-NH2 2.68Å; E10-R77 PolarHBondContact OE2-NH2 3.34Å; S73-R77 WeakPolarHBondContact O-CG 3.33Å; S73-R77 PolarHBondContact O-N 3.26Å; S73-R77 VanDerWaalsContact O-N 3.14Å; R74-R77 PolarHBondContact O-N 2.83Å; N75-R77 VanDerWaalsContact C-N 3.29Å; N75-R77 PolarHBondContact O-N 2.88Å; R77-S79 VanDerWaalsContact C-N 3.3Å; R77-S79 PolarHBondContact O-N 3.02Å; R77-K80 PolarHBondContact O-N 2.96Å; R77-K80 VanDerWaalsContact O-N 3.11Å
78	G	50.5	Low	55.3	Low	57 Å²	57	120.8 Å²	120.8	59%	0.588	63%	0.629	S	S	*	*	H	α-helix	trans	-55.7	-41	-178.8	0	0	0	0	0	113.6	R74 N75 K80 G81	R74-G78 PolarHBondContact O-N 3.48Å; N75-G78 PolarHBondContact O-N 3.05Å; G78-K80 PolarHBondContact O-N 3.21Å; G78-G81 PolarHBondContact O-N 3.15Å
79	S	45.4	Very low	52.7	Low	112 Å²	112	126.8 Å²	126.8	78%	0.783	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-13	178.4	-173.7	0	0	0	0	115.1	N75 R77	N75-S79 PolarHBondContact O-N 2.95Å; R77-S79 VanDerWaalsContact C-N 3.3Å; R77-S79 PolarHBondContact O-N 3.02Å
80	K	45.3	Very low	50.5	Low	190 Å²	190	135.3 Å²	135.3	83%	0.826	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-4.2	-178.3	-94.3	179.7	174.9	175.8	0	116.4	R77 G78	R77-K80 PolarHBondContact O-N 2.96Å; R77-K80 VanDerWaalsContact O-N 3.11Å; G78-K80 PolarHBondContact O-N 3.21Å
81	G	35.9	Very low	48.2	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-20.2	-172.7	0	0	0	0	0	116.7	G78	G78-G81 PolarHBondContact O-N 3.15Å
82	G	33.5	Very low	45.9	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	74%	0.736	S	S	*	*	S	Bend	trans	-82.8	-17	-157.7	0	0	0	0	0	118.4
83	S	35.7	Very low	43.9	Very low	118 Å²	118	148.3 Å²	148.3	83%	0.825	75%	0.746	S	S	*	*	S	Bend	trans	-93.5	-3.5	-158.4	61	0	0	0	0	117.6
84	E	38.1	Very low	42.2	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	77%	0.773	S	S	*	*	S	Bend	trans	-122.6	7.8	-164.3	-132.5	-176.1	-175.2	0	0	117.2
85	K	38.7	Very low	40.1	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	78%	0.784	S	S	*	*	S	Bend	trans	-116.2	-4.5	-175.7	-78.2	-168.9	175.6	-178.3	0	118.5
86	H	35	Very low	38.3	Very low	190 Å²	190	151.8 Å²	151.8	88%	0.88	79%	0.787	S	S	*	*			trans	-118.7	91.3	173.3	-92.2	-103.5	0	0	0	113
87	R	35	Very low	36.6	Very low	248 Å²	248	157.8 Å²	157.8	94%	0.936	81%	0.807	S	S	*	*			trans	-168.2	66.6	155.9	-113.9	166.4	-178.6	172.4	1.8	113.9
88	K	32.3	Very low	35	Very low	196 Å²	196	161.6 Å²	161.6	85%	0.852	83%	0.829	S	S	*	*			trans	-144.5	121.6	161.3	-81	-171.8	179.1	174.7	0	109.8
89	R	32.7	Very low	34.1	Very low	241 Å²	241	163.7 Å²	163.7	91%	0.909	84%	0.841	S	S	*	*			trans	68	153.5	-177.5	-50.1	177.4	172.1	153.8	-5	111.8
90	E	30.5	Very low	33.3	Very low	193 Å²	193	165.1 Å²	165.1	90%	0.902	84%	0.84	S	S	*	*			cis	-118.5	-171.2	10	-74.3	177.4	140.2	0	0	113.9
91	L	29.7	Very low	32.7	Very low	168 Å²	168	162.8 Å²	162.8	88%	0.88	84%	0.841	S	S	*	*			trans	-154.2	82	-175.3	-178.1	112.4	0	0	0	112.4
92	K	31.9	Very low	32.2	Very low	181 Å²	181	162.8 Å²	162.8	79%	0.787	84%	0.841	S	S	*	*			trans	-172	149.2	165.2	-144.8	110	176.3	-162.2	0	104.5
93	E	35.1	Very low	32	Very low	172 Å²	172	163.8 Å²	163.8	80%	0.804	84%	0.842	S	S	*	*			cis	-122.3	165.5	5	-73.7	161.2	157.8	0	0	108.4
94	V	34.5	Very low	31.6	Very low	113 Å²	113	164 Å²	164	69%	0.685	84%	0.838	S	S	*	*			cis	90.7	78.4	25.5	-172.5	0	0	0	0	114.4
95	F	28.6	Very low	31.2	Very low	215 Å²	215	163.7 Å²	163.7	94%	0.943	84%	0.837	S	S	*	*			trans	69.6	160.3	160.9	-73.8	-95.6	0	0	0	120.3
96	G	28.9	Very low	30.7	Very low	68 Å²	68	160.4 Å²	160.4	70%	0.701	83%	0.833	S	S	*	*			trans	97.9	98.8	-169.9	0	0	0	0	0	111.4
97	E	28.8	Very low	30.4	Very low	206 Å²	206	155.6 Å²	155.6	96%	0.963	83%	0.826	S	S	*	*				88.2	152.7	62.6	-78	-164.6	129	0	0	115.2
98	E	29.6	Very low	30.5	Very low	193 Å²	193	149.6 Å²	149.6	90%	0.902	82%	0.819	S	S	*	*			trans	-77.2	150.2	-163.8	-63.5	-83.7	127.2	0	0	114.4
99	A	31.6	Very low	30.2	Very low	101 Å²	101	147.7 Å²	147.7	84%	0.835	82%	0.818	S	S	*	*			trans	-167.3	145.6	136.8	0	0	0	0	0	112.5
100	D	28.9	Very low	30	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	81%	0.813	S	S	*	*			trans	-79.6	155.4	175.5	172.8	45.4	0	0	0	113.2
101	T	31.3	Very low	29.8	Very low	140 Å²	140	135 Å²	135	86%	0.859	81%	0.805	S	S	*	*			trans	-176.9	145.1	135.1	18.6	0	0	0	0	111.1
102	G	25.9	Very low	29.6	Very low	67 Å²	67	135.3 Å²	135.3	69%	0.691	81%	0.808	S	S	*	*			trans	-114.4	-142.3	-172.3	0	0	0	0	0	116.3
103	A	28.2	Very low	29.3	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	80%	0.795	S	S	*	*			trans	74.1	149.7	-169.4	0	0	0	0	0	115.8
104	V	27.4	Very low	29	Very low	121 Å²	121	127.2 Å²	127.2	73%	0.733	80%	0.795	S	S	*	*			cis	164.1	160.4	-33.4	142.3	0	0	0	0	106.7
105	Q	30	Very low	28.8	Very low	180 Å²	180	128.7 Å²	128.7	84%	0.841	81%	0.805	S	S	*	*			trans	70.4	153.8	174.8	-78.3	168.4	36	0	0	117.2
106	V	27.8	Very low	28.9	Very low	132 Å²	132	124.9 Å²	124.9	80%	0.8	80%	0.799	S	S	*	*			cis	-160.7	164.5	-34.7	107	0	0	0	0	108.7
107	A	30.2	Very low	28.9	Very low	88 Å²	88	128.7 Å²	128.7	73%	0.727	80%	0.796	S	S	*	*			trans	-102.2	150.3	175.3	0	0	0	0	0	112.5
108	P	36.7	Very low	29	Very low	122 Å²	122	130.4 Å²	130.4	79%	0.792	79%	0.794	S	S	*	*				-132.9	158.8	104.1	24.2	-6.9	0	0	0	111.7
109	D	26.4	Very low	29	Very low	156 Å²	156	131 Å²	131	83%	0.834	79%	0.794	S	S	*	*			cis	108.5	143.1	23.5	-165.9	36	0	0	0	113.2
110	A	28.6	Very low	28.9	Very low	95 Å²	95	138 Å²	138	79%	0.785	80%	0.799	S	S	*	*			trans	58.4	151.9	-169.4	0	0	0	0	0	116.7
111	G	25.7	Very low	29.1	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	80%	0.799	S	S	*	*			cis	-174.9	134.3	-9.5	0	0	0	0	0	113.9
112	D	25.8	Very low	29.2	Very low	176 Å²	176	136.1 Å²	136.1	94%	0.941	79%	0.794	S	S	*	*			trans	72.6	171.4	150	-157.2	22.1	0	0	0	120.5
113	G	26.3	Very low	29.2	Very low	51 Å²	51	142.9 Å²	142.9	53%	0.526	80%	0.798	S	S	.	*			trans	127.9	34.1	156.4	0	0	0	0	0	120.7
114	T	28	Very low	29.2	Very low	131 Å²	131	147 Å²	147	80%	0.804	80%	0.797	S	S	*	*			trans	56	132.6	156	67.6	0	0	0	0	121.5
115	T	29.3	Very low	29.4	Very low	144 Å²	144	147.3 Å²	147.3	88%	0.883	79%	0.791	S	S	*	*			trans	-131.1	126.5	162.1	57.9	0	0	0	0	113.3
116	V	31.6	Very low	29.5	Very low	136 Å²	136	147 Å²	147	82%	0.824	79%	0.789	S	S	*	*			trans	-86.5	122.8	-174	178.6	0	0	0	0	112.1	R118	V116-R118 PolarHBondContact O-N 2.91Å
117	K	28.6	Very low	29.7	Very low	147 Å²	147	146.5 Å²	146.5	64%	0.639	79%	0.787	S	S	*	*			trans	-71	113	175.5	-63.4	169.5	-173.5	162.3	0	111.5	E628	K117-E628 IonicContact NZ-OE1 3.4Å; K117-E628 PolarHBondContact NZ-OE1 3.44Å; K117-E628 IonicContact NZ-OE2 2.69Å; K117-E628 PolarHBondContact NZ-OE2 3.35Å
118	R	31.4	Very low	29.9	Very low	242 Å²	242	151.4 Å²	151.4	91%	0.913	80%	0.795	S	S	*	*			trans	-78.6	143.1	169.6	-80.4	-174.2	166.4	177.4	-2.9	112.6	V116	V116-R118 PolarHBondContact O-N 2.91Å
119	K	30.4	Very low	29.7	Very low	206 Å²	206	154.3 Å²	154.3	90%	0.896	80%	0.798	S	S	*	*			trans	-64	150.2	179.2	-70.9	173.4	178.2	169.6	0	111.9
120	R	29	Very low	30.3	Very low	249 Å²	249	152.6 Å²	152.6	94%	0.94	80%	0.795	S	S	*	*			trans	-106.7	122.6	168.9	-163.2	-178.9	-165	-168	4.3	109
121	V	31.9	Very low	30.5	Very low	126 Å²	126	157.5 Å²	157.5	76%	0.764	80%	0.802	S	S	*	*			trans	-95.4	135.7	175.1	-179.7	0	0	0	0	108.9
122	P	33.5	Very low	31	Very low	116 Å²	116	160.7 Å²	160.7	75%	0.753	81%	0.806	S	S	*	*			trans	-80.6	123.4	170.5	31.6	-30.7	0	0	0	110.2	F124	P122-F124 PolarHBondContact O-N 3.38Å
123	R	27.5	Very low	31.7	Very low	209 Å²	209	159.8 Å²	159.8	79%	0.789	80%	0.8	S	S	*	*			trans	-89.6	94	166.6	-175.7	175.5	-178.1	164.7	-1.5	108.4
124	F	26.7	Very low	32.2	Very low	187 Å²	187	163.5 Å²	163.5	82%	0.82	82%	0.815	S	S	*	*			trans	-67.8	142.8	147.7	-118.8	-109.6	0	0	0	107	P122	P122-F124 PolarHBondContact O-N 3.38Å
125	Q	32.2	Very low	32.8	Very low	128 Å²	128	160.2 Å²	160.2	60%	0.598	81%	0.807	S	S	*	*			trans	-143.1	103.8	158.9	-174.4	155.5	-1.2	0	0	107.9
126	E	32.9	Very low	33.6	Very low	173 Å²	173	159.4 Å²	159.4	81%	0.808	81%	0.805	S	S	*	*			trans	-63.8	141.4	167.7	-151.7	146.6	-141	0	0	108.2
127	V	31.9	Very low	34.1	Very low	123 Å²	123	158.9 Å²	158.9	75%	0.745	80%	0.804	S	S	*	*			trans	-131.1	126.8	172.7	178	0	0	0	0	106.4
128	E	33.5	Very low	34.9	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90	120.5	-169.8	-166.2	167.2	-157	0	0	108.9
129	E	33	Very low	35.4	Very low	183 Å²	183	154.7 Å²	154.7	86%	0.855	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.2	131	173.9	-69.8	-172.2	146.5	0	0	109.4
130	P	38.7	Very low	35.8	Very low	121 Å²	121	149.7 Å²	149.7	79%	0.786	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77.9	154.2	-177.2	31.6	-35.5	0	0	0	113
131	E	32.8	Very low	36.8	Very low	198 Å²	198	144.5 Å²	144.5	93%	0.925	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.3	143.8	-176.5	-56.9	-177.1	129.5	0	0	113.6
132	V	35.7	Very low	38	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	80%	0.8	S	S	*	*			trans	-134.7	133.3	165.3	-178.2	0	0	0	0	109.4
133	I	41.4	Very low	38.7	Very low	158 Å²	158	144.4 Å²	144.4	81%	0.81	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.8	140.7	-170.2	-61.8	165.2	0	0	0	111.3	G135	I133-G135 PolarHBondContact O-N 3.12Å
134	P	36.6	Very low	40.4	Very low	128 Å²	128	138.9 Å²	138.9	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75	124.8	-178	-14.4	30	0	0	0	113.6
135	G	40.8	Very low	42.8	Very low	63 Å²	63	133.6 Å²	133.6	65%	0.649	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-97.7	155.2	162.1	0	0	0	0	0	112	I133	I133-G135 PolarHBondContact O-N 3.12Å
136	P	46.5	Very low	44.5	Very low	127 Å²	127	136.2 Å²	136.2	83%	0.825	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.1	141.4	-179.6	29.9	-34.7	0	0	0	112.1
137	P	41.1	Very low	46.6	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-79.2	136.4	-178.9	31.5	-34.5	0	0	0	112.4
138	S	45.4	Very low	48.6	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-88.1	133.8	165	47.8	0	0	0	0	110.7
139	E	41.5	Very low	50.6	Low	191 Å²	191	126.8 Å²	126.8	89%	0.893	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-76.6	127.4	-178.4	-63.2	-167.5	150.1	0	0	111.1
140	S	39.3	Very low	53	Low	101 Å²	101	124 Å²	124	71%	0.706	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-103.2	143.3	176.1	-67.8	0	0	0	0	111.1	G142	S140-G142 PolarHBondContact O-N 3.31Å
141	P	50.3	Low	55.3	Low	139 Å²	139	123.2 Å²	123.2	90%	0.903	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	124.8	-165.9	28.3	-35.3	0	0	0	112.6
142	G	56.1	Low	57.5	Low	78 Å²	78	119.3 Å²	119.3	80%	0.804	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.7	-20.7	177.2	0	0	0	0	0	114.9	S140	S140-G142 PolarHBondContact O-N 3.31Å
143	M	48.7	Very low	59.5	Low	162 Å²	162	118.5 Å²	118.5	80%	0.798	67%	0.674	S	S	*	*	S	Bend	trans	-80	131.5	170.7	-70.9	-61.5	-65.1	0	0	110.8	T145	M143-T145 PolarHBondContact O-N 3.02Å
144	L	63.5	Low	61.5	Low	93 Å²	93	115.7 Å²	115.7	49%	0.487	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-60	131.3	165.7	-75.9	167.7	0	0	0	109.1	Q148 I149 M152	L144-Q148 HydrophobicContact CB-CB 4.46Å; L144-Q148 HydrophobicContact CD2-CB 4.29Å; L144-I149 HydrophobicContact CB-CG1 4.24Å; L144-I149 WeakPolarHBondContact O-CD1 3.19Å; L144-M152 HydrophobicContact CD1-CE 4.09Å
145	T	77.2	Confident	63.8	Low	77 Å²	77	112.1 Å²	112.1	47%	0.472	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-63.6	155.2	-175.9	60.3	0	0	0	0	111.5	M143 M147 Q148 I149	M143-T145 PolarHBondContact O-N 3.02Å; T145-M147 PolarHBondContact O-N 2.81Å; T145-M147 VanDerWaalsContact O-N 3.1Å; T145-Q148 PolarHBondContact O-N 3.04Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.64Å; T145-Q148 PolarHBondContact OG1-OE1 3.21Å; T145-I149 PolarHBondContact O-N 3.46Å
146	K	66.9	Low	65.6	Low	183 Å²	183	111.4 Å²	111.4	80%	0.796	63%	0.627	S	S	*	*	H	α-helix	trans	-55.3	-30.1	175.5	-68.9	173.5	-178.3	165.1	0	112.4	K150	K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.45Å
147	M	78.8	Confident	67	Low	131 Å²	131	109.6 Å²	109.6	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-48.7	170.9	-87.7	-175	63.5	0	0	113.1	T145 I149 K150 Q151	T145-M147 PolarHBondContact O-N 2.81Å; T145-M147 VanDerWaalsContact O-N 3.1Å; M147-I149 VanDerWaalsContact C-N 3.3Å; M147-I149 PolarHBondContact O-N 3.5Å; M147-K150 PolarHBondContact O-N 2.58Å; M147-Q151 WeakPolarHBondContact O-CB 3.37Å; M147-Q151 WeakPolarHBondContact O-CG 3.22Å; M147-Q151 PolarHBondContact O-N 2.77Å
148	Q	73.6	Confident	69.3	Low	84 Å²	84	109.5 Å²	109.5	39%	0.393	60%	0.601	S	S	.	*	H	α-helix	trans	-63.3	-37.5	179.1	-72.3	162.4	-50.2	0	0	111.8	L144 T145 M152	L144-Q148 HydrophobicContact CB-CB 4.46Å; L144-Q148 HydrophobicContact CD2-CB 4.29Å; T145-Q148 PolarHBondContact O-N 3.04Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.64Å; T145-Q148 PolarHBondContact OG1-OE1 3.21Å; Q148-M152 VanDerWaalsContact O-CB 3.31Å; Q148-M152 WeakPolarHBondContact O-CB 3.23Å; Q148-M152 PolarHBondContact O-N 2.59Å
149	I	75.4	Confident	70.9	Confident	72 Å²	72	109.9 Å²	109.9	37%	0.369	59%	0.59	S	S	.	*	H	α-helix	trans	-65.6	-41.6	174.3	-64.9	171.4	0	0	0	111	L144 T145 M147 M152 M153	L144-I149 HydrophobicContact CB-CG1 4.24Å; L144-I149 WeakPolarHBondContact O-CD1 3.19Å; T145-I149 PolarHBondContact O-N 3.46Å; M147-I149 VanDerWaalsContact C-N 3.3Å; M147-I149 PolarHBondContact O-N 3.5Å; I149-M152 PolarHBondContact O-N 3.27Å; I149-M153 HydrophobicContact CG2-CE 3.89Å; I149-M153 PolarHBondContact O-N 3.2Å; I149-M153 VanDerWaalsContact O-N 3.16Å
150	K	81.8	Confident	72.6	Confident	124 Å²	124	106 Å²	106	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-62.6	-50.5	174.7	-178.3	-178.6	166.4	-177.2	0	111.5	K146 M147 M152 M153 E154	K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.45Å; M147-K150 PolarHBondContact O-N 2.58Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 3.23Å; K150-M153 PolarHBondContact O-N 3.23Å; K150-M153 VanDerWaalsContact O-N 3.11Å; K150-E154 WeakPolarHBondContact CE-OE1 3.5Å; K150-E154 WeakPolarHBondContact CE-OE2 3.44Å; K150-E154 HydrophobicContact CG-CG 4.42Å; K150-E154 IonicContact NZ-OE1 2.83Å; K150-E154 PolarHBondContact NZ-OE1 3.46Å; K150-E154 PolarHBondContact O-N 2.88Å
151	Q	88.4	Confident	74.4	Confident	105 Å²	105	107.9 Å²	107.9	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-58.8	-38.4	178.3	-73.5	171.5	-26	0	0	112.3	M147 E154 A155	M147-Q151 WeakPolarHBondContact O-CB 3.37Å; M147-Q151 WeakPolarHBondContact O-CG 3.22Å; M147-Q151 PolarHBondContact O-N 2.77Å; Q151-E154 PolarHBondContact O-N 2.89Å; Q151-A155 WeakPolarHBondContact O-CB 3.27Å; Q151-A155 PolarHBondContact O-N 2.8Å
152	M	78.3	Confident	76	Confident	117 Å²	117	105.7 Å²	105.7	58%	0.576	55%	0.55	S	S	*	.	H	α-helix	trans	-64.5	-40.2	175.9	-168.7	-171.2	-54.4	0	0	112.1	L144 Q148 I149 K150 A156	L144-M152 HydrophobicContact CD1-CE 4.09Å; Q148-M152 VanDerWaalsContact O-CB 3.31Å; Q148-M152 WeakPolarHBondContact O-CB 3.23Å; Q148-M152 PolarHBondContact O-N 2.59Å; I149-M152 PolarHBondContact O-N 3.27Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 3.23Å; M152-A156 WeakPolarHBondContact O-CB 3.17Å; M152-A156 PolarHBondContact O-N 3.41Å; M152-A156 VanDerWaalsContact O-N 3.09Å
153	M	77.1	Confident	76.7	Confident	121 Å²	121	109.7 Å²	109.7	60%	0.596	54%	0.541	S	S	*	.	H	α-helix	trans	-71.6	-39.4	174.8	-76.9	-167.1	-81.6	0	0	112.8	I149 K150 A155 A156 T157	I149-M153 HydrophobicContact CG2-CE 3.89Å; I149-M153 PolarHBondContact O-N 3.2Å; I149-M153 VanDerWaalsContact O-N 3.16Å; K150-M153 PolarHBondContact O-N 3.23Å; K150-M153 VanDerWaalsContact O-N 3.11Å; M153-A155 VanDerWaalsContact C-N 3.35Å; M153-A156 PolarHBondContact O-N 3.31Å; M153-T157 PolarHBondContact O-N 3.09Å; M153-T157 PolarHBondContact O-OG1 3.16Å
154	E	84	Confident	77.9	Confident	98 Å²	98	109 Å²	109	46%	0.458	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-35.8	175.7	-72.8	174.7	148.8	0	0	112.2	K150 Q151 T157 K158	K150-E154 WeakPolarHBondContact CE-OE1 3.5Å; K150-E154 WeakPolarHBondContact CE-OE2 3.44Å; K150-E154 HydrophobicContact CG-CG 4.42Å; K150-E154 IonicContact NZ-OE1 2.83Å; K150-E154 PolarHBondContact NZ-OE1 3.46Å; K150-E154 PolarHBondContact O-N 2.88Å; Q151-E154 PolarHBondContact O-N 2.89Å; E154-T157 PolarHBondContact O-OG1 3.23Å; E154-T157 VanDerWaalsContact O-OG1 3.08Å; E154-K158 VanDerWaalsContact O-CB 3.31Å; E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 PolarHBondContact O-N 3.24Å; E154-K158 VanDerWaalsContact O-N 3.09Å
155	A	85.4	Confident	78.5	Confident	53 Å²	53	111.5 Å²	111.5	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-66.6	-39.9	171	0	0	0	0	0	112.1	Q151 M153 K158 Q159	Q151-A155 WeakPolarHBondContact O-CB 3.27Å; Q151-A155 PolarHBondContact O-N 2.8Å; M153-A155 VanDerWaalsContact C-N 3.35Å; A155-K158 PolarHBondContact O-N 3Å; A155-Q159 PolarHBondContact O-N 3.03Å; A155-Q159 VanDerWaalsContact O-N 3.08Å
156	A	79.3	Confident	77.8	Confident	49 Å²	49	114.2 Å²	114.2	41%	0.405	55%	0.547	S	S	.	.	H	α-helix	trans	-67.8	-42.4	178.3	0	0	0	0	0	112.7	M152 M153 Q159 I160	M152-A156 WeakPolarHBondContact O-CB 3.17Å; M152-A156 PolarHBondContact O-N 3.41Å; M152-A156 VanDerWaalsContact O-N 3.09Å; M153-A156 PolarHBondContact O-N 3.31Å; A156-Q159 PolarHBondContact O-N 2.98Å; A156-I160 WeakPolarHBondContact O-CG1 3.28Å; A156-I160 PolarHBondContact O-N 2.93Å
157	T	75.9	Confident	77.1	Confident	88 Å²	88	112 Å²	112	54%	0.54	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-42.3	174.8	52.3	0	0	0	0	111.3	M153 E154 Q159 I160 E161	M153-T157 PolarHBondContact O-N 3.09Å; M153-T157 PolarHBondContact O-OG1 3.16Å; E154-T157 PolarHBondContact O-OG1 3.23Å; E154-T157 VanDerWaalsContact O-OG1 3.08Å; T157-Q159 PolarHBondContact O-N 3.08Å; T157-I160 WeakPolarHBondContact O-CB 3.1Å; T157-I160 PolarHBondContact O-N 2.84Å; T157-I160 VanDerWaalsContact O-N 3.11Å; T157-E161 PolarHBondContact O-N 3.31Å
158	K	88	Confident	76	Confident	124 Å²	124	109.9 Å²	109.9	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-60.3	-41.1	177	-170.2	175.2	178.6	-176.3	0	112.8	E154 A155 I160 E161 E162	E154-K158 VanDerWaalsContact O-CB 3.31Å; E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 PolarHBondContact O-N 3.24Å; E154-K158 VanDerWaalsContact O-N 3.09Å; A155-K158 PolarHBondContact O-N 3Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.85Å; K158-E161 PolarHBondContact O-N 2.85Å; K158-E162 VanDerWaalsContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 WeakPolarHBondContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CG 3.47Å; K158-E162 PolarHBondContact O-N 3.49Å
159	Q	79.4	Confident	74.7	Confident	118 Å²	118	113.9 Å²	113.9	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-66.1	-31.5	174.5	-75.2	-171.1	2.7	0	0	113.8	A155 A156 T157 R163	A155-Q159 PolarHBondContact O-N 3.03Å; A155-Q159 VanDerWaalsContact O-N 3.08Å; A156-Q159 PolarHBondContact O-N 2.98Å; T157-Q159 PolarHBondContact O-N 3.08Å; Q159-R163 WeakPolarHBondContact O-CB 3.28Å; Q159-R163 PolarHBondContact O-N 3.11Å; Q159-R163 VanDerWaalsContact O-N 3.11Å
160	I	76.9	Confident	73.1	Confident	108 Å²	108	115.7 Å²	115.7	55%	0.554	57%	0.573	S	S	*	*	H	α-helix	trans	-70.3	-38.9	174.3	-67.9	164.6	0	0	0	110.2	A156 T157 K158 K164	A156-I160 WeakPolarHBondContact O-CG1 3.28Å; A156-I160 PolarHBondContact O-N 2.93Å; T157-I160 WeakPolarHBondContact O-CB 3.1Å; T157-I160 PolarHBondContact O-N 2.84Å; T157-I160 VanDerWaalsContact O-N 3.11Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.85Å; I160-K164 PolarHBondContact O-N 3.04Å
161	E	77.9	Confident	71	Confident	141 Å²	141	115.1 Å²	115.1	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-71.1	-41.9	178.7	-165.6	159.4	-121.8	0	0	112.4	T157 K158 K164 K165	T157-E161 PolarHBondContact O-N 3.31Å; K158-E161 PolarHBondContact O-N 2.85Å; E161-K164 WeakPolarHBondContact O-CB 3.44Å; E161-K164 PolarHBondContact O-N 3.47Å; E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 PolarHBondContact O-N 3.43Å
162	E	84.2	Confident	68.7	Low	93 Å²	93	116.5 Å²	116.5	44%	0.435	60%	0.602	S	S	.	*	H	α-helix	trans	-61.8	-42.1	171.7	-75.8	174.3	177.5	0	0	111.8	K158 K164 K165 Q166	K158-E162 VanDerWaalsContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 WeakPolarHBondContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CG 3.47Å; K158-E162 PolarHBondContact O-N 3.49Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-K165 PolarHBondContact O-N 3Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.15Å
163	R	70.9	Confident	66.4	Low	163 Å²	163	115.7 Å²	115.7	62%	0.615	61%	0.614	S	S	*	*	H	α-helix	trans	-62.8	-39.8	172.7	-87.6	-166.6	170	100	-2.2	113	Q159 K165 Q166 L167	Q159-R163 WeakPolarHBondContact O-CB 3.28Å; Q159-R163 PolarHBondContact O-N 3.11Å; Q159-R163 VanDerWaalsContact O-N 3.11Å; R163-K165 VanDerWaalsContact C-N 3.34Å; R163-Q166 PolarHBondContact O-N 2.77Å; R163-L167 WeakPolarHBondContact O-CG 3.4Å; R163-L167 PolarHBondContact O-N 3.27Å
164	K	73.4	Confident	64.3	Low	148 Å²	148	115.9 Å²	115.9	64%	0.643	62%	0.622	S	S	*	*	H	α-helix	trans	-61.7	-42.5	173	-82.8	-174.5	171.3	-173.8	0	111.7	I160 E161 E162 Q166 L167 S168	I160-K164 PolarHBondContact O-N 3.04Å; E161-K164 WeakPolarHBondContact O-CB 3.44Å; E161-K164 PolarHBondContact O-N 3.47Å; E162-K164 PolarHBondContact O-N 2.97Å; K164-Q166 VanDerWaalsContact C-N 3.34Å; K164-Q166 PolarHBondContact O-N 2.9Å; K164-L167 PolarHBondContact O-N 2.84Å; K164-S168 PolarHBondContact O-N 3.41Å; K164-S168 PolarHBondContact O-OG 2.89Å
165	K	75.2	Confident	61.6	Low	145 Å²	145	119.3 Å²	119.3	63%	0.63	64%	0.642	S	S	*	*	H	α-helix	trans	-68.1	-30.6	179.5	-165.9	174.3	-177.1	178.9	0	113.2	E161 E162 R163 S168	E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 PolarHBondContact O-N 3.43Å; E162-K165 PolarHBondContact O-N 3Å; R163-K165 VanDerWaalsContact C-N 3.34Å; K165-S168 WeakPolarHBondContact CA-OG 3.45Å; K165-S168 PolarHBondContact O-OG 3.11Å; K165-S168 VanDerWaalsContact O-OG 3.05Å
166	Q	63.2	Low	58.8	Low	133 Å²	133	122.6 Å²	122.6	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-70.2	-43.1	170.5	-72.2	167.5	-0.4	0	0	111.5	E162 R163 K164 S168 F169	E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.15Å; R163-Q166 PolarHBondContact O-N 2.77Å; K164-Q166 VanDerWaalsContact C-N 3.34Å; K164-Q166 PolarHBondContact O-N 2.9Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.8Å; Q166-F169 PolarHBondContact O-N 3.36Å
167	L	52.9	Low	56.2	Low	137 Å²	137	125 Å²	125	72%	0.717	67%	0.67	S	S	*	*	H	α-helix	trans	-68.1	-23.5	177.6	-74.8	165.5	0	0	0	113.9	R163 K164 F169	R163-L167 WeakPolarHBondContact O-CG 3.4Å; R163-L167 PolarHBondContact O-N 3.27Å; K164-L167 PolarHBondContact O-N 2.84Å; L167-F169 VanDerWaalsContact C-N 3.31Å; L167-F169 PolarHBondContact O-N 3.46Å
168	S	54.8	Low	53.9	Low	86 Å²	86	125.6 Å²	125.6	60%	0.601	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	3.3	176.9	63.7	0	0	0	0	114.8	K164 K165 Q166	K164-S168 PolarHBondContact O-N 3.41Å; K164-S168 PolarHBondContact O-OG 2.89Å; K165-S168 WeakPolarHBondContact CA-OG 3.45Å; K165-S168 PolarHBondContact O-OG 3.11Å; K165-S168 VanDerWaalsContact O-OG 3.05Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.8Å
169	F	46.8	Very low	50.8	Low	168 Å²	168	126.9 Å²	126.9	74%	0.737	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	5.6	-174.2	-111.8	-78.8	0	0	0	115	Q166 L167	Q166-F169 PolarHBondContact O-N 3.36Å; L167-F169 VanDerWaalsContact C-N 3.31Å; L167-F169 PolarHBondContact O-N 3.46Å
170	T	40.4	Very low	48.5	Very low	111 Å²	111	130 Å²	130	68%	0.681	70%	0.7	S	S	*	*			trans	-119.5	88	-178.4	53.8	0	0	0	0	112.4
171	S	38	Very low	46.6	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	70%	0.704	S	S	*	*			trans	-154.6	104.4	167.4	58.5	0	0	0	0	112.4
172	P	39.8	Very low	44.5	Very low	134 Å²	134	131.1 Å²	131.1	87%	0.87	71%	0.713	S	S	*	*			trans	-91.2	169.7	158.7	35.5	-30	0	0	0	111.1
173	A	31.3	Very low	42.3	Very low	100 Å²	100	130.9 Å²	130.9	83%	0.826	72%	0.722	S	S	*	*			trans	-119.6	171.3	-163	0	0	0	0	0	115.9
174	T	31.6	Very low	40.4	Very low	126 Å²	126	132.1 Å²	132.1	77%	0.773	73%	0.734	S	S	*	*			trans	-34.1	145.6	168.4	-43.3	0	0	0	0	117.4
175	I	29	Very low	38.3	Very low	170 Å²	170	128.2 Å²	128.2	87%	0.872	74%	0.737	S	S	*	*			trans	-167.7	170.8	135.2	-102	157.6	0	0	0	111.1
176	T	26.6	Very low	36	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	75%	0.75	S	S	*	*			trans	-120.8	157.3	-148	-32.6	0	0	0	0	115.3
177	C	24.5	Very low	34.5	Very low	100 Å²	100	125.9 Å²	125.9	68%	0.676	75%	0.749	S	S	*	*			trans	82.7	120.3	143.7	-131.2	0	0	0	0	123.3
178	C	26	Very low	33.4	Very low	100 Å²	100	124 Å²	124	68%	0.676	75%	0.747	S	S	*	*				69.8	123.3	113.7	-45.9	0	0	0	0	123.4
179	L	24.5	Very low	32.2	Very low	151 Å²	151	130.6 Å²	130.6	79%	0.791	76%	0.759	S	S	*	*				-166.8	127.4	119.1	-120.2	68.5	0	0	0	109.2
180	F	30.9	Very low	31.3	Very low	184 Å²	184	129.1 Å²	129.1	81%	0.807	76%	0.758	S	S	*	*				66.3	140.9	102.9	-82.5	-132.2	0	0	0	116.3
181	S	36.9	Very low	30.7	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	77%	0.766	S	S	*	*			cis	-163.4	-176.3	-16	-88.4	0	0	0	0	106.1
182	Q	33.8	Very low	30	Very low	180 Å²	180	129.5 Å²	129.5	84%	0.841	76%	0.763	S	S	*	*			cis	-154.2	-179.2	24.7	-80	-167.7	49.6	0	0	107.3
183	S	37.2	Very low	29.4	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	76%	0.763	S	S	*	*			cis	-167.6	175	-24.1	54.8	0	0	0	0	105.2
184	Q	31.1	Very low	29.1	Very low	189 Å²	189	128 Å²	128	88%	0.883	76%	0.762	S	S	*	*			cis	-114.1	-133.5	4.2	-50.6	178.9	13	0	0	108
185	G	29.4	Very low	28.9	Very low	67 Å²	67	127.2 Å²	127.2	69%	0.691	77%	0.768	S	S	*	*			cis	129.4	128.2	-6.1	0	0	0	0	0	113
186	D	28.1	Very low	28.7	Very low	169 Å²	169	123.1 Å²	123.1	90%	0.904	77%	0.768	S	S	*	*			cis	-156.8	158.4	-15.9	-172.8	38.4	0	0	0	112.1
187	G	29.9	Very low	28.8	Very low	59 Å²	59	121.3 Å²	121.3	61%	0.608	77%	0.773	S	S	*	*			trans	81.5	174	154.9	0	0	0	0	0	119.1
188	S	30.6	Very low	29.3	Very low	97 Å²	97	121.4 Å²	121.4	68%	0.678	78%	0.781	S	S	*	*			cis	-165	113.4	-26.7	-165	0	0	0	0	112.8
189	R	29.5	Very low	29.8	Very low	226 Å²	226	122.6 Å²	122.6	85%	0.853	79%	0.791	S	S	*	*			trans	67	155.4	156	-63.8	177.3	-177.1	-174.7	0.9	116.7
190	L	27.8	Very low	30.5	Very low	136 Å²	136	121 Å²	121	71%	0.712	79%	0.792	S	S	*	*			cis	-161.4	160.1	-5.8	-117	169.4	0	0	0	110.9
191	L	27.8	Very low	31.3	Very low	161 Å²	161	118.9 Å²	118.9	84%	0.843	79%	0.788	S	S	*	*			trans	62	127.3	158.8	-58.3	178.6	0	0	0	122.9
192	G	24.3	Very low	32.2	Very low	70 Å²	70	117 Å²	117	72%	0.722	78%	0.778	S	S	*	*				95.8	79.7	97.8	0	0	0	0	0	123.4
193	A	25.9	Very low	32.9	Very low	105 Å²	105	114 Å²	114	87%	0.868	77%	0.774	S	S	*	*			trans	66.8	147.8	137.8	0	0	0	0	0	124.6
194	A	26.1	Very low	33.9	Very low	97 Å²	97	114 Å²	114	80%	0.802	77%	0.774	S	S	*	*			trans	87	112.9	147.7	0	0	0	0	0	123.5
195	A	26.8	Very low	35.1	Very low	110 Å²	110	110.2 Å²	110.2	91%	0.909	76%	0.756	S	S	*	*			trans	72.4	149	132.9	0	0	0	0	0	123.2
196	G	26	Very low	36.3	Very low	84 Å²	84	109.3 Å²	109.3	87%	0.866	74%	0.742	S	S	*	*			trans	104	129.3	169.4	0	0	0	0	0	114.5
197	G	28.4	Very low	37.8	Very low	83 Å²	83	103.5 Å²	103.5	86%	0.856	72%	0.718	S	S	*	*			cis	-167.2	157.3	-7.7	0	0	0	0	0	111.5
198	A	33.4	Very low	39.4	Very low	101 Å²	101	103.9 Å²	103.9	84%	0.835	71%	0.711	S	S	*	*			trans	-117.4	149.1	176.5	0	0	0	0	0	110.6
199	S	37	Very low	40.9	Very low	126 Å²	126	106.2 Å²	106.2	88%	0.881	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-64.9	130.6	-175.8	50.3	0	0	0	0	112.9
200	S	40	Very low	42.4	Very low	118 Å²	118	101.1 Å²	101.1	83%	0.825	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-91.9	153	-178.5	50.9	0	0	0	0	113.2
201	I	46.4	Very low	44.6	Very low	139 Å²	139	99.6 Å²	99.6	71%	0.713	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-100	140	173.1	-65.3	172	0	0	0	108.8
202	A	55.7	Low	46.8	Very low	53 Å²	53	95.3 Å²	95.3	44%	0.438	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-63.3	139	-176.4	0	0	0	0	0	112.9	S204 Q205	A202-S204 VanDerWaalsContact C-N 3.27Å; A202-S204 PolarHBondContact O-N 2.85Å; A202-S204 VanDerWaalsContact O-N 3.15Å; A202-Q205 PolarHBondContact O-N 3.27Å
203	P	50	Low	48.8	Very low	116 Å²	116	94.8 Å²	94.8	75%	0.753	66%	0.656	S	S	*	*	H	α-helix	trans	-66.5	-21.7	-167.7	24.3	-34.5	0	0	0	114.9	Q205 A206	P203-Q205 VanDerWaalsContact C-N 3.33Å; P203-Q205 PolarHBondContact O-N 2.81Å; P203-A206 PolarHBondContact O-N 2.88Å
204	S	57.6	Low	51	Low	89 Å²	89	94.8 Å²	94.8	62%	0.622	64%	0.641	S	S	*	*	H	α-helix	trans	-65.1	-32.3	178.4	53.2	0	0	0	0	113.5	A202	A202-S204 VanDerWaalsContact C-N 3.27Å; A202-S204 PolarHBondContact O-N 2.85Å; A202-S204 VanDerWaalsContact O-N 3.15Å
205	Q	56.3	Low	53.5	Low	108 Å²	108	95.3 Å²	95.3	51%	0.505	63%	0.627	S	S	.	*	H	α-helix	trans	-79.7	-32.2	-179.6	-61.4	-172.9	11.1	0	0	112.3	A202 P203 A207 S208 F209	A202-Q205 PolarHBondContact O-N 3.27Å; P203-Q205 VanDerWaalsContact C-N 3.33Å; P203-Q205 PolarHBondContact O-N 2.81Å; Q205-A207 VanDerWaalsContact C-N 3.27Å; Q205-A207 PolarHBondContact O-N 2.77Å; Q205-S208 PolarHBondContact O-N 3.48Å; Q205-S208 PolarHBondContact O-OG 3.26Å; Q205-F209 WeakPolarHBondContact O-CD2 3.41Å; Q205-F209 PolarHBondContact O-N 3.44Å
206	A	54	Low	55.7	Low	48 Å²	48	96 Å²	96	40%	0.397	61%	0.609	S	S	.	*	H	α-helix	trans	-62.8	-35.2	176	0	0	0	0	0	112.3	P203 M210	P203-A206 PolarHBondContact O-N 2.88Å; A206-M210 PolarHBondContact O-N 3.14Å
207	A	59.7	Low	57.6	Low	47 Å²	47	94.9 Å²	94.9	39%	0.388	59%	0.592	S	S	.	*	H	α-helix	trans	-67.8	-40.6	178.6	0	0	0	0	0	113.2	Q205 M210 N211	Q205-A207 VanDerWaalsContact C-N 3.27Å; Q205-A207 PolarHBondContact O-N 2.77Å; A207-M210 PolarHBondContact O-N 3Å; A207-N211 PolarHBondContact O-N 3.43Å; A207-N211 VanDerWaalsContact O-N 3.1Å; A207-N211 PolarHBondContact O-ND2 2.74Å
208	S	63.6	Low	60.1	Low	68 Å²	68	100.4 Å²	100.4	48%	0.476	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-38.4	179.1	55.1	0	0	0	0	112.4	Q205 M210 N211 D212	Q205-S208 PolarHBondContact O-N 3.48Å; Q205-S208 PolarHBondContact O-OG 3.26Å; S208-M210 PolarHBondContact O-N 3.09Å; S208-N211 PolarHBondContact O-N 2.88Å; S208-D212 PolarHBondContact O-N 3.41Å
209	F	61.5	Low	62.2	Low	145 Å²	145	101.4 Å²	101.4	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-63.6	-37.9	172.9	-73.4	-59.9	0	0	0	113.1	Q205 A213	Q205-F209 WeakPolarHBondContact O-CD2 3.41Å; Q205-F209 PolarHBondContact O-N 3.44Å; F209-A213 WeakPolarHBondContact O-CB 3.49Å; F209-A213 PolarHBondContact O-N 3.15Å; F209-A213 VanDerWaalsContact O-N 3.08Å
210	M	62.4	Low	63.4	Low	119 Å²	119	98 Å²	98	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-41.1	174.7	-78.6	-168.6	-87.3	0	0	112.5	A206 A207 S208 A213 I214	A206-M210 PolarHBondContact O-N 3.14Å; A207-M210 PolarHBondContact O-N 3Å; S208-M210 PolarHBondContact O-N 3.09Å; M210-A213 PolarHBondContact O-N 3.24Å; M210-I214 WeakPolarHBondContact O-CD1 3.46Å; M210-I214 VanDerWaalsContact O-CG1 3.27Å; M210-I214 WeakPolarHBondContact O-CG1 3.25Å; M210-I214 PolarHBondContact O-N 2.89Å
211	N	72.9	Confident	64.9	Low	104 Å²	104	94.9 Å²	94.9	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-42.6	178.1	-74.3	-34.1	0	0	0	112.8	A207 S208 A213 I214 E215	A207-N211 PolarHBondContact O-N 3.43Å; A207-N211 VanDerWaalsContact O-N 3.1Å; A207-N211 PolarHBondContact O-ND2 2.74Å; S208-N211 PolarHBondContact O-N 2.88Å; N211-A213 VanDerWaalsContact C-N 3.35Å; N211-A213 PolarHBondContact O-N 2.89Å; N211-I214 PolarHBondContact O-N 3.12Å; N211-E215 PolarHBondContact O-N 3.4Å
212	D	74.9	Confident	66.4	Low	71 Å²	71	94 Å²	94	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-35.5	175.4	173.4	51.9	0	0	0	112.3	S208 K216	S208-D212 PolarHBondContact O-N 3.41Å; D212-K216 WeakPolarHBondContact O-CB 3.17Å; D212-K216 WeakPolarHBondContact O-CD 3.23Å; D212-K216 WeakPolarHBondContact O-CG 3.41Å; D212-K216 PolarHBondContact O-N 3.1Å; D212-K216 WeakPolarHBondContact OD1-CE 3.37Å; D212-K216 IonicContact OD1-NZ 2.71Å; D212-K216 PolarHBondContact OD1-NZ 3.02Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.45Å
213	A	66.9	Low	67	Low	59 Å²	59	96.7 Å²	96.7	49%	0.488	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-41.1	171.6	0	0	0	0	0	112.5	F209 M210 N211 K216 A217	F209-A213 WeakPolarHBondContact O-CB 3.49Å; F209-A213 PolarHBondContact O-N 3.15Å; F209-A213 VanDerWaalsContact O-N 3.08Å; M210-A213 PolarHBondContact O-N 3.24Å; N211-A213 VanDerWaalsContact C-N 3.35Å; N211-A213 PolarHBondContact O-N 2.89Å; A213-K216 PolarHBondContact O-N 3.26Å; A213-A217 WeakPolarHBondContact O-CB 3.35Å; A213-A217 PolarHBondContact O-N 2.61Å
214	I	72.2	Confident	67.6	Low	106 Å²	106	97.1 Å²	97.1	54%	0.544	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-43.3	177.6	-69.4	163.6	0	0	0	111.2	M210 N211 K216 A217 R218	M210-I214 WeakPolarHBondContact O-CD1 3.46Å; M210-I214 VanDerWaalsContact O-CG1 3.27Å; M210-I214 WeakPolarHBondContact O-CG1 3.25Å; M210-I214 PolarHBondContact O-N 2.89Å; N211-I214 PolarHBondContact O-N 3.12Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.37Å; I214-A217 PolarHBondContact O-N 2.97Å; I214-R218 WeakPolarHBondContact O-CB 3.26Å; I214-R218 PolarHBondContact O-N 3.25Å
215	E	76.8	Confident	68.2	Low	108 Å²	108	95.5 Å²	95.5	51%	0.505	52%	0.517	S	S	.	.	H	α-helix	trans	-57.8	-44.6	172.7	-87.8	-114.7	147.6	0	0	112.4	N211 R218 K219	N211-E215 PolarHBondContact O-N 3.4Å; E215-R218 PolarHBondContact O-N 2.77Å; E215-K219 PolarHBondContact O-N 3.12Å; E215-K219 IonicContact OE2-NZ 3.03Å; E215-K219 PolarHBondContact OE2-NZ 2.91Å
216	K	74.8	Confident	69.1	Low	123 Å²	123	97.9 Å²	97.9	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-66.2	-40	178.3	-77.5	164.4	177.9	157.7	0	112	D212 A213 I214 A220	D212-K216 WeakPolarHBondContact O-CB 3.17Å; D212-K216 WeakPolarHBondContact O-CD 3.23Å; D212-K216 WeakPolarHBondContact O-CG 3.41Å; D212-K216 PolarHBondContact O-N 3.1Å; D212-K216 WeakPolarHBondContact OD1-CE 3.37Å; D212-K216 IonicContact OD1-NZ 2.71Å; D212-K216 PolarHBondContact OD1-NZ 3.02Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.45Å; A213-K216 PolarHBondContact O-N 3.26Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.37Å; K216-A220 WeakPolarHBondContact O-CB 3.5Å; K216-A220 PolarHBondContact O-N 2.84Å
217	A	65.9	Low	69.6	Low	62 Å²	62	99.8 Å²	99.8	51%	0.512	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-42.5	171.8	0	0	0	0	0	111.8	A213 I214 A220 A221	A213-A217 WeakPolarHBondContact O-CB 3.35Å; A213-A217 PolarHBondContact O-N 2.61Å; I214-A217 PolarHBondContact O-N 2.97Å; A217-A220 PolarHBondContact O-N 3.3Å; A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 3.05Å
218	R	80.1	Confident	69.7	Low	198 Å²	198	104 Å²	104	75%	0.747	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-45.3	179	-152.2	174.8	-164.5	171	4.7	112.1	I214 E215 A221 E222	I214-R218 WeakPolarHBondContact O-CB 3.26Å; I214-R218 PolarHBondContact O-N 3.25Å; E215-R218 PolarHBondContact O-N 2.77Å; R218-A221 PolarHBondContact O-N 3.11Å; R218-E222 PolarHBondContact O-N 3.43Å
219	K	78	Confident	69.7	Low	123 Å²	123	104.1 Å²	104.1	54%	0.535	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-35.5	174.3	-79.4	162.8	178.5	148.9	0	112.7	E215 L223	E215-K219 PolarHBondContact O-N 3.12Å; E215-K219 IonicContact OE2-NZ 3.03Å; E215-K219 PolarHBondContact OE2-NZ 2.91Å; K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 3.38Å
220	A	61.8	Low	69.5	Low	53 Å²	53	103.9 Å²	103.9	44%	0.438	54%	0.537	S	S	.	.	H	α-helix	trans	-67.3	-42.2	174.6	0	0	0	0	0	112.4	K216 A217 L223 Q224	K216-A220 WeakPolarHBondContact O-CB 3.5Å; K216-A220 PolarHBondContact O-N 2.84Å; A217-A220 PolarHBondContact O-N 3.3Å; A220-L223 PolarHBondContact O-N 2.81Å; A220-Q224 PolarHBondContact O-N 3.18Å
221	A	71.3	Confident	68.9	Low	54 Å²	54	104.2 Å²	104.2	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-65.3	-42.3	175.5	0	0	0	0	0	112.2	A217 R218 L223 Q224 A225	A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 3.05Å; R218-A221 PolarHBondContact O-N 3.11Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.4Å; A221-Q224 PolarHBondContact O-N 3Å; A221-A225 WeakPolarHBondContact O-CB 3.32Å; A221-A225 PolarHBondContact O-N 2.93Å
222	E	77.5	Confident	67.7	Low	119 Å²	119	103.3 Å²	103.3	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-60.7	-42.6	174.2	-166.8	-165.4	146.5	0	0	111.5	R218 Q224 A225 R226	R218-E222 PolarHBondContact O-N 3.43Å; E222-Q224 PolarHBondContact O-N 3.32Å; E222-A225 PolarHBondContact O-N 3.35Å; E222-R226 VanDerWaalsContact O-CB 3.28Å; E222-R226 WeakPolarHBondContact O-CB 3.35Å; E222-R226 PolarHBondContact O-N 2.96Å
223	L	69.5	Low	66.5	Low	111 Å²	111	107.9 Å²	107.9	58%	0.581	57%	0.566	S	S	*	*	H	α-helix	trans	-62	-42.3	175.7	-167.7	74.2	0	0	0	111.8	K219 A220 A221 R226 I227	K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 3.38Å; A220-L223 PolarHBondContact O-N 2.81Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.4Å; L223-R226 PolarHBondContact O-N 3.34Å; L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CD1 3.36Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 3.15Å
224	Q	61.9	Low	65.5	Low	125 Å²	125	113.5 Å²	113.5	58%	0.584	58%	0.58	S	S	*	*	H	α-helix	trans	-65	-44.9	175.6	-76.8	-176.8	-40.5	0	0	112.3	A220 A221 E222 R226 I227 Q228	A220-Q224 PolarHBondContact O-N 3.18Å; A221-Q224 PolarHBondContact O-N 3Å; E222-Q224 PolarHBondContact O-N 3.32Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 2.96Å; Q224-I227 PolarHBondContact O-N 3.48Å; Q224-Q228 WeakPolarHBondContact O-CG 3.41Å; Q224-Q228 PolarHBondContact O-N 2.89Å
225	A	71.4	Confident	63.9	Low	55 Å²	55	115 Å²	115	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-60.5	-38.3	175.7	0	0	0	0	0	111.9	A221 E222 Q228 S229	A221-A225 WeakPolarHBondContact O-CB 3.32Å; A221-A225 PolarHBondContact O-N 2.93Å; E222-A225 PolarHBondContact O-N 3.35Å; A225-Q228 PolarHBondContact O-N 3.33Å; A225-S229 PolarHBondContact O-N 3.22Å; A225-S229 PolarHBondContact O-OG 3.46Å
226	R	73.1	Confident	61.9	Low	158 Å²	158	113.1 Å²	113.1	60%	0.596	61%	0.606	S	S	*	*	H	α-helix	trans	-70.7	-29.8	176.8	-166	170.6	-173.1	149.2	0.6	113.5	E222 L223 Q224 S229 Q230	E222-R226 VanDerWaalsContact O-CB 3.28Å; E222-R226 WeakPolarHBondContact O-CB 3.35Å; E222-R226 PolarHBondContact O-N 2.96Å; L223-R226 PolarHBondContact O-N 3.34Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 2.96Å; R226-S229 PolarHBondContact O-OG 3.03Å; R226-Q230 WeakPolarHBondContact O-CG 3.37Å; R226-Q230 PolarHBondContact O-N 3.48Å
227	I	65.4	Low	60.1	Low	88 Å²	88	115.2 Å²	115.2	45%	0.451	62%	0.621	S	S	.	*	H	α-helix	trans	-72.5	-42.5	170.7	-71	163.6	0	0	0	110.3	L223 Q224 Q230 L231	L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CD1 3.36Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 3.15Å; Q224-I227 PolarHBondContact O-N 3.48Å; I227-Q230 PolarHBondContact O-N 2.86Å; I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; I227-L231 PolarHBondContact O-N 2.67Å
228	Q	60.9	Low	58.4	Low	136 Å²	136	120 Å²	120	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-64	-42.4	177.6	-72.3	173.9	-4.9	0	0	112.3	Q224 A225 Q230 L231 A232	Q224-Q228 WeakPolarHBondContact O-CG 3.41Å; Q224-Q228 PolarHBondContact O-N 2.89Å; A225-Q228 PolarHBondContact O-N 3.33Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 2.91Å; Q228-L231 PolarHBondContact O-N 2.79Å; Q228-A232 PolarHBondContact O-N 2.77Å
229	S	65.5	Low	56	Low	70 Å²	70	117.5 Å²	117.5	49%	0.49	64%	0.638	S	S	.	*	H	α-helix	trans	-67.9	-30.6	177.1	64.6	0	0	0	0	113.4	A225 R226	A225-S229 PolarHBondContact O-N 3.22Å; A225-S229 PolarHBondContact O-OG 3.46Å; R226-S229 PolarHBondContact O-OG 3.03Å
230	Q	57	Low	53.7	Low	140 Å²	140	116.1 Å²	116.1	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-72.5	-29.5	170.7	-75.9	-170.8	-10.8	0	0	113.5	R226 I227 Q228	R226-Q230 WeakPolarHBondContact O-CG 3.37Å; R226-Q230 PolarHBondContact O-N 3.48Å; I227-Q230 PolarHBondContact O-N 2.86Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 2.91Å
231	L	48.3	Very low	52.2	Low	126 Å²	126	123 Å²	123	66%	0.66	66%	0.661	S	S	*	*	H	α-helix	trans	-74.2	-31.8	174.7	-75.2	164.4	0	0	0	112.4	I227 Q228 Q233	I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; I227-L231 PolarHBondContact O-N 2.67Å; Q228-L231 PolarHBondContact O-N 2.79Å; L231-Q233 PolarHBondContact O-N 3.18Å
232	A	48.8	Very low	50.2	Low	84 Å²	84	126.6 Å²	126.6	69%	0.694	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-21	179	0	0	0	0	0	114.4	Q228 K234	Q228-A232 PolarHBondContact O-N 2.77Å; A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 3.26Å
233	Q	50.1	Low	48.1	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	15	-177.4	-67.7	-168.9	-21.7	0	0	114.9	L231	L231-Q233 PolarHBondContact O-N 3.18Å
234	K	44.7	Very low	46.2	Very low	177 Å²	177	129.2 Å²	129.2	77%	0.77	70%	0.701	S	S	*	*			trans	-138.9	107.6	174.3	-76.3	-176.4	177.3	173.5	0	112.7	A232	A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 3.26Å
235	P	40	Very low	44.6	Very low	138 Å²	138	126.3 Å²	126.3	90%	0.896	70%	0.704	S	S	*	*			trans	-76.3	124.9	169.4	30.7	-32	0	0	0	110.4
236	G	34.6	Very low	43.5	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	72%	0.722	S	S	*	*			trans	152.2	105.2	167.3	0	0	0	0	0	116.8
237	I	36.5	Very low	41.9	Very low	167 Å²	167	128.3 Å²	128.3	86%	0.856	73%	0.733	S	S	*	*			trans	63.3	89.9	151.5	-43	169.2	0	0	0	117
238	L	30.9	Very low	40.4	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	75%	0.752	S	S	*	*				-156.5	151.3	119	-143.5	81.6	0	0	0	110.8
239	N	29.7	Very low	39	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	76%	0.76	S	S	*	*			trans	-145	151.9	165.7	-164.3	3.2	0	0	0	109.1
240	T	30	Very low	37.6	Very low	94 Å²	94	136.3 Å²	136.3	58%	0.577	78%	0.78	S	S	*	*			trans	62.6	115.9	-170.1	73.6	0	0	0	0	113
241	F	28.4	Very low	36.4	Very low	197 Å²	197	134 Å²	134	86%	0.864	79%	0.785	S	S	*	*				-160.1	134.6	51.6	-99.8	-86.8	0	0	0	112.9
242	V	29.1	Very low	35.6	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	80%	0.799	S	S	*	*			trans	-153.8	141.7	169.5	175.6	0	0	0	0	104.1
243	N	33.8	Very low	35.2	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	80%	0.8	S	S	*	*			cis	-134	-162.2	10.5	-133	-18.3	0	0	0	108.8
244	T	29.3	Very low	34.4	Very low	141 Å²	141	136.5 Å²	136.5	87%	0.865	80%	0.804	S	S	*	*			cis	-154.4	155.8	37.3	44.2	0	0	0	0	113.6
245	G	29.8	Very low	34	Very low	63 Å²	63	136 Å²	136	65%	0.649	81%	0.809	S	S	*	*			trans	-175.1	126.8	166.3	0	0	0	0	0	109
246	P	47.7	Very low	33.8	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	81%	0.811	S	S	*	*			trans	-97.9	155.5	-154.5	36.2	-37	0	0	0	116.4
247	P	39.1	Very low	33.9	Very low	128 Å²	128	139.4 Å²	139.4	83%	0.831	81%	0.807	S	S	*	*			trans	-88.8	176.2	166.4	38.3	-35.4	0	0	0	112.6
248	N	34.4	Very low	34	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	81%	0.81	S	S	*	*			trans	-127.7	160.8	169	-161.6	6.4	0	0	0	111.2
249	L	32.1	Very low	34.6	Very low	150 Å²	150	136.4 Å²	136.4	79%	0.785	81%	0.807	S	S	*	*			trans	-108.7	130	-162.4	-73.8	153.3	0	0	0	114.1
250	V	35.4	Very low	34.9	Very low	152 Å²	152	137.9 Å²	137.9	92%	0.921	81%	0.813	S	S	*	*			trans	-154.3	106.8	136.2	-176.2	0	0	0	0	108.6
251	A	31.3	Very low	35.3	Very low	91 Å²	91	137.5 Å²	137.5	75%	0.752	82%	0.82	S	S	*	*			trans	170.8	72.1	157.1	0	0	0	0	0	112.2
252	L	33.2	Very low	35.9	Very low	184 Å²	184	133.9 Å²	133.9	96%	0.963	82%	0.816	S	S	*	*			trans	-138.5	65	166.1	-92.8	179.2	0	0	0	111.2
253	A	39	Very low	36.5	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	82%	0.816	S	S	*	*	S	Bend	trans	-133.6	141.4	160.7	0	0	0	0	0	107.8
254	N	34.6	Very low	36.7	Very low	159 Å²	159	136.4 Å²	136.4	85%	0.85	82%	0.822	S	S	*	*			trans	61.5	86.4	178.2	-59.2	-9.7	0	0	0	117.1
255	L	34.8	Very low	36.8	Very low	167 Å²	167	136.1 Å²	136.1	87%	0.874	82%	0.82	S	S	*	*			trans	-154.4	84.3	130.5	-113.4	174.9	0	0	0	109.9
256	H	36.2	Very low	37	Very low	204 Å²	204	140.5 Å²	140.5	94%	0.944	83%	0.829	S	S	*	*			trans	-116.8	68.9	179.4	-154.3	-120.9	0	0	0	109.7
257	A	37.8	Very low	36.6	Very low	74 Å²	74	142.6 Å²	142.6	61%	0.612	83%	0.831	S	S	*	*			trans	-152.4	153.7	178.2	0	0	0	0	0	109.7
258	M	37.3	Very low	36.5	Very low	190 Å²	190	145.9 Å²	145.9	94%	0.936	83%	0.832	S	S	*	*	S	Bend	trans	62.1	60.8	-180	-49.9	-91	70	0	0	114.1
259	G	44.5	Very low	36.9	Very low	77 Å²	77	146.6 Å²	146.6	79%	0.794	83%	0.83	S	S	*	*			trans	-82.9	145.5	-179.4	0	0	0	0	0	115.2
260	I	35.7	Very low	37.2	Very low	174 Å²	174	146.1 Å²	146.1	89%	0.892	83%	0.833	S	S	*	*			trans	-139	134.9	162.3	-79.2	163.9	0	0	0	106.6
261	A	38.3	Very low	37.5	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	82%	0.824	S	S	*	*			trans	-82.2	154	178.1	0	0	0	0	0	112
262	P	40.4	Very low	38.4	Very low	120 Å²	120	149.7 Å²	149.7	78%	0.779	83%	0.826	S	S	*	*				-138.9	-151.9	110.7	45	-31.8	0	0	0	111.5
263	P	42.4	Very low	39.3	Very low	122 Å²	122	147 Å²	147	79%	0.792	82%	0.819	S	S	*	*				-110.2	169.4	-123.8	13	12.9	0	0	0	115.4
264	K	37.1	Very low	40.1	Very low	206 Å²	206	148.2 Å²	148.2	90%	0.896	82%	0.818	S	S	*	*			trans	-72.4	132.9	177.3	-60.8	176.1	178.9	178.7	0	112.5
265	V	31.7	Very low	41.3	Very low	135 Å²	135	145.9 Å²	145.9	82%	0.818	81%	0.811	S	S	*	*			trans	-143.2	149.2	146.7	-160	0	0	0	0	108.7
266	D	34.3	Very low	42.8	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	80%	0.801	S	S	*	*			trans	-53.8	148.8	-159.2	-50.5	-53.3	0	0	0	118.8
267	I	39.8	Very low	44	Very low	170 Å²	170	138.3 Å²	138.3	87%	0.872	78%	0.777	S	S	*	*			trans	-85.6	132.9	171.9	-59.6	170.5	0	0	0	109.4
268	K	36.8	Very low	45.6	Very low	198 Å²	198	139.2 Å²	139.2	86%	0.861	77%	0.771	S	S	*	*			trans	-130.1	146.2	166.1	-116	176.9	-179	175	0	111.3
269	E	42	Very low	47.2	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	74%	0.737	S	S	*	*			trans	-68.7	133.3	-165.8	-59.4	174	119.1	0	0	113.2	N271	E269-N271 PolarHBondContact O-N 3.37Å; E269-N271 VanDerWaalsContact O-N 3.14Å
270	V	39.8	Very low	48.6	Very low	140 Å²	140	137 Å²	137	85%	0.848	75%	0.745	S	S	*	*			trans	-77.8	100.4	172.5	-179.8	0	0	0	0	109	K272	V270-K272 PolarHBondContact O-N 2.96Å
271	N	40.8	Very low	50.1	Low	134 Å²	134	137 Å²	137	72%	0.717	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-60	132.5	173.7	-100.1	-98.2	0	0	0	111.2	E269	E269-N271 PolarHBondContact O-N 3.37Å; E269-N271 VanDerWaalsContact O-N 3.14Å
272	K	51.3	Low	51.5	Low	183 Å²	183	135.4 Å²	135.4	80%	0.796	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-74.6	147.5	161.3	-61.8	168.8	-174.2	170.3	0	107.6	V270 T274	V270-K272 PolarHBondContact O-N 2.96Å; K272-T274 PolarHBondContact O-N 2.78Å
273	P	51.6	Low	53	Low	127 Å²	127	134.7 Å²	134.7	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-62.3	125.8	177.8	25.8	-33.7	0	0	0	110.7
274	T	55.9	Low	54.4	Low	114 Å²	114	130 Å²	130	70%	0.699	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.2	137.1	179.6	-43.1	0	0	0	0	110.8	K272	K272-T274 PolarHBondContact O-N 2.78Å
275	P	59.1	Low	56.1	Low	109 Å²	109	121.2 Å²	121.2	71%	0.708	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63	141.9	173.8	26.9	-34.9	0	0	0	111.2	I277	P275-I277 PolarHBondContact O-N 3.36Å
276	L	65.7	Low	57.9	Low	124 Å²	124	119.2 Å²	119.2	65%	0.649	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-75.7	120.3	-179.1	-168.2	71.6	0	0	0	110.2	L278 T284	L276-L278 HydrophobicContact CD2-CD2 4.44Å; L276-T284 HydrophobicContact CD1-CG2 3.85Å; L276-T284 HydrophobicContact CD2-CG2 3.8Å; L276-T284 HydrophobicContact CG-CG2 3.93Å
277	I	62.9	Low	59.5	Low	88 Å²	88	116.2 Å²	116.2	45%	0.451	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	134.2	178.9	-54.1	177.7	0	0	0	109.1	P275 V285	P275-I277 PolarHBondContact O-N 3.36Å; I277-V285 HydrophobicContact CB-CG2 4.2Å; I277-V285 HydrophobicContact CG2-CG2 3.79Å; I277-V285 PolarHBondContact O-N 3.23Å; I277-V285 VanDerWaalsContact O-N 3.15Å
278	L	71.3	Confident	60.8	Low	94 Å²	94	114 Å²	114	49%	0.492	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	145	177.4	-59.2	177	0	0	0	109.7	L276 R283 T284	L276-L278 HydrophobicContact CD2-CD2 4.44Å; L278-R283 VanDerWaalsContact CA-O 3.29Å; L278-R283 WeakPolarHBondContact CA-O 3.41Å; L278-T284 HydrophobicContact CD2-CG2 3.65Å
279	D	70.9	Confident	62.2	Low	41 Å²	41	107.3 Å²	107.3	22%	0.219	61%	0.609	C	S	.	*			trans	-74.7	170	168.2	78.6	-10	0	0	0	112.1	K281 G282 R283	D279-K281 PolarHBondContact O-N 3.33Å; D279-K281 WeakPolarHBondContact OD1-CA 3.32Å; D279-K281 WeakPolarHBondContact OD1-CB 3.28Å; D279-K281 PolarHBondContact OD1-N 2.6Å; D279-G282 PolarHBondContact O-N 3.24Å; D279-G282 PolarHBondContact OD1-N 3.21Å; D279-R283 PolarHBondContact N-O 2.97Å; D279-R283 WeakPolarHBondContact OD1-CB 3.27Å; D279-R283 PolarHBondContact OD1-N 3.19Å; D279-R283 IonicContact OD1-NE 3.78Å; D279-R283 IonicContact OD2-CZ 2.86Å; D279-R283 VanDerWaalsContact OD2-CZ 3.3Å; D279-R283 IonicContact OD2-NE 2.79Å; D279-R283 PolarHBondContact OD2-NE 3.06Å; D279-R283 IonicContact OD2-NH2 2.57Å; D279-R283 PolarHBondContact OD2-NH2 3.22Å
280	D	72.9	Confident	63.3	Low	178 Å²	178	106.6 Å²	106.6	95%	0.952	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	0.5	176.6	-61.2	-43	0	0	0	114
281	K	67.6	Low	64.7	Low	174 Å²	174	105.5 Å²	105.5	76%	0.757	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	9	176.5	-60	177.4	-176.7	173.1	0	112	D279	D279-K281 PolarHBondContact O-N 3.33Å; D279-K281 WeakPolarHBondContact OD1-CA 3.32Å; D279-K281 WeakPolarHBondContact OD1-CB 3.28Å; D279-K281 PolarHBondContact OD1-N 2.6Å
282	G	68.1	Low	65.9	Low	55 Å²	55	101.8 Å²	101.8	57%	0.567	57%	0.568	S	S	*	*	S	Bend	trans	81.9	19	172	0	0	0	0	0	115.8	D279	D279-G282 PolarHBondContact O-N 3.24Å; D279-G282 PolarHBondContact OD1-N 3.21Å
283	R	71.4	Confident	66.3	Low	104 Å²	104	101.6 Å²	101.6	39%	0.392	57%	0.57	S	S	.	*			trans	-105.3	141	-173.9	-55.6	177.9	-59.3	146	9.6	112.1	L278 D279 V285 E291	L278-R283 VanDerWaalsContact CA-O 3.29Å; L278-R283 WeakPolarHBondContact CA-O 3.41Å; D279-R283 PolarHBondContact N-O 2.97Å; D279-R283 WeakPolarHBondContact OD1-CB 3.27Å; D279-R283 PolarHBondContact OD1-N 3.19Å; D279-R283 IonicContact OD1-NE 3.78Å; D279-R283 IonicContact OD2-CZ 2.86Å; D279-R283 VanDerWaalsContact OD2-CZ 3.3Å; D279-R283 IonicContact OD2-NE 2.79Å; D279-R283 PolarHBondContact OD2-NE 3.06Å; D279-R283 IonicContact OD2-NH2 2.57Å; D279-R283 PolarHBondContact OD2-NH2 3.22Å; R283-V285 PolarHBondContact O-N 3.11Å; R283-E291 WeakPolarHBondContact CD-OE1 3.09Å; R283-E291 IonicContact CZ-OE1 2.79Å; R283-E291 IonicContact CZ-OE2 2.65Å; R283-E291 IonicContact NE-OE1 3.14Å; R283-E291 IonicContact NH1-OE1 2.71Å; R283-E291 PolarHBondContact NH1-OE1 3.01Å; R283-E291 IonicContact NH1-OE2 3.16Å; R283-E291 PolarHBondContact NH1-OE2 3.27Å; R283-E291 IonicContact NH2-OE2 4Å
284	T	72.1	Confident	66.8	Low	23 Å²	23	101 Å²	101	14%	0.141	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.4	121.9	-178.3	39.1	0	0	0	0	112.8	L276 L278 I292 L294	L276-T284 HydrophobicContact CD1-CG2 3.85Å; L276-T284 HydrophobicContact CD2-CG2 3.8Å; L276-T284 HydrophobicContact CG-CG2 3.93Å; L278-T284 HydrophobicContact CD2-CG2 3.65Å; T284-I292 PolarHBondContact O-N 3.01Å; T284-I292 PolarHBondContact OG1-O 3.24Å; T284-L294 HydrophobicContact CG2-CD1 4.44Å
285	V	73.1	Confident	66.8	Low	23 Å²	23	101.7 Å²	101.7	14%	0.139	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	145.7	176.9	-70.3	0	0	0	0	111.3	I277 R283 K290	I277-V285 HydrophobicContact CB-CG2 4.2Å; I277-V285 HydrophobicContact CG2-CG2 3.79Å; I277-V285 PolarHBondContact O-N 3.23Å; I277-V285 VanDerWaalsContact O-N 3.15Å; R283-V285 PolarHBondContact O-N 3.11Å; V285-K290 CarbonylContact C-O 3.56Å; V285-K290 VanDerWaalsContact CA-O 3.26Å; V285-K290 WeakPolarHBondContact CA-O 3.31Å
286	D	68.4	Low	66.4	Low	92 Å²	92	104 Å²	104	49%	0.492	56%	0.564	S	S	.	*			trans	-69	165.8	171.1	-106.2	-43	0	0	0	111	T288 G289 K290 I292	D286-T288 PolarHBondContact O-N 2.77Å; D286-G289 PolarHBondContact O-N 3.08Å; D286-K290 PolarHBondContact N-O 3.1Å; D286-I292 HydrophobicContact CB-CD1 4.07Å; D286-I292 HydrophobicContact CB-CG1 4.21Å
287	A	68.5	Low	65.9	Low	93 Å²	93	109.3 Å²	109.3	77%	0.769	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-5	177.4	0	0	0	0	0	114.8
288	T	67.5	Low	65.1	Low	124 Å²	124	111.9 Å²	111.9	76%	0.761	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	10.1	174	56.1	0	0	0	0	113.6	D286 K290	D286-T288 PolarHBondContact O-N 2.77Å; T288-K290 PolarHBondContact O-N 3.32Å
289	G	64.4	Low	63.9	Low	57 Å²	57	113.9 Å²	113.9	59%	0.588	61%	0.607	S	S	*	*	S	Bend	trans	78.8	10.2	173.2	0	0	0	0	0	115.9	D286	D286-G289 PolarHBondContact O-N 3.08Å
290	K	66.8	Low	63.1	Low	162 Å²	162	116.7 Å²	116.7	70%	0.704	63%	0.625	S	S	*	*			trans	-88.8	143.9	170.9	-80	-172.3	173.8	-178.3	0	111.8	V285 D286 T288	V285-K290 CarbonylContact C-O 3.56Å; V285-K290 VanDerWaalsContact CA-O 3.26Å; V285-K290 WeakPolarHBondContact CA-O 3.31Å; D286-K290 PolarHBondContact N-O 3.1Å; T288-K290 PolarHBondContact O-N 3.32Å
291	E	68	Low	62.2	Low	116 Å²	116	116 Å²	116	54%	0.542	62%	0.621	S	S	.	*	B	Isolated β-bridge	trans	-73.1	134.6	-178.3	-175.9	163.9	-166.6	0	0	112	R283	R283-E291 WeakPolarHBondContact CD-OE1 3.09Å; R283-E291 IonicContact CZ-OE1 2.79Å; R283-E291 IonicContact CZ-OE2 2.65Å; R283-E291 IonicContact NE-OE1 3.14Å; R283-E291 IonicContact NH1-OE1 2.71Å; R283-E291 PolarHBondContact NH1-OE1 3.01Å; R283-E291 IonicContact NH1-OE2 3.16Å; R283-E291 PolarHBondContact NH1-OE2 3.27Å; R283-E291 IonicContact NH2-OE2 4Å
292	I	66.1	Low	61.6	Low	57 Å²	57	115.8 Å²	115.8	29%	0.292	62%	0.62	S	S	.	*			trans	-109.6	118.4	-178.9	-43.4	173.7	0	0	0	109.8	T284 D286 L294	T284-I292 PolarHBondContact O-N 3.01Å; T284-I292 PolarHBondContact OG1-O 3.24Å; D286-I292 HydrophobicContact CB-CD1 4.07Å; D286-I292 HydrophobicContact CB-CG1 4.21Å; I292-L294 HydrophobicContact CB-CD1 4.26Å; I292-L294 HydrophobicContact CG2-CD1 3.99Å; I292-L294 PolarHBondContact O-N 3.37Å; I292-L294 VanDerWaalsContact O-N 3.16Å
293	E	59.7	Low	60.5	Low	178 Å²	178	116.3 Å²	116.3	83%	0.832	62%	0.619	S	S	*	*			trans	-75.9	98.8	171.8	-69.3	-166.5	165.1	0	0	111.6	T295	E293-T295 PolarHBondContact O-N 3.19Å; E293-T295 VanDerWaalsContact O-N 3.11Å
294	L	62.8	Low	59.5	Low	116 Å²	116	114.3 Å²	114.3	61%	0.607	62%	0.624	S	S	*	*			trans	-70.4	104.5	172.1	-96.9	65.6	0	0	0	110.9	T284 I292 H296	T284-L294 HydrophobicContact CG2-CD1 4.44Å; I292-L294 HydrophobicContact CB-CD1 4.26Å; I292-L294 HydrophobicContact CG2-CD1 3.99Å; I292-L294 PolarHBondContact O-N 3.37Å; I292-L294 VanDerWaalsContact O-N 3.16Å; L294-H296 PolarHBondContact O-N 3.36Å
295	T	56	Low	58.7	Low	127 Å²	127	118.6 Å²	118.6	78%	0.779	65%	0.647	S	S	*	*			trans	-70.4	84.7	-174.5	50	0	0	0	0	113.9	E293 R297	E293-T295 PolarHBondContact O-N 3.19Å; E293-T295 VanDerWaalsContact O-N 3.11Å; T295-R297 PolarHBondContact O-N 3.37Å
296	H	50.5	Low	57.9	Low	157 Å²	157	123.3 Å²	123.3	73%	0.727	67%	0.67	S	S	*	*			trans	-64.7	102	178.8	-179.3	-72.2	0	0	0	112.9	L294 M298	L294-H296 PolarHBondContact O-N 3.36Å; H296-M298 WeakPolarHBondContact ND1-CG 3.27Å; H296-M298 PolarHBondContact O-N 3.45Å
297	R	54.8	Low	57.4	Low	237 Å²	237	128.4 Å²	128.4	89%	0.894	68%	0.682	S	S	*	*			trans	-71.3	94.1	175.3	-82.6	-170.1	169.1	-131.9	-0.9	112.9	T295	T295-R297 PolarHBondContact O-N 3.37Å
298	M	45.9	Very low	57.1	Low	141 Å²	141	125.9 Å²	125.9	70%	0.695	66%	0.662	S	S	*	*			trans	-69	140.5	164.4	-60.5	-174.7	79.3	0	0	111.3	H296 T300	H296-M298 WeakPolarHBondContact ND1-CG 3.27Å; H296-M298 PolarHBondContact O-N 3.45Å; M298-T300 PolarHBondContact O-N 2.98Å
299	P	46.9	Very low	57	Low	137 Å²	137	123.7 Å²	123.7	89%	0.89	65%	0.647	S	S	*	*			trans	-69.6	113.4	175.2	-16.7	30.8	0	0	0	111.3
300	T	53.8	Low	57.1	Low	100 Å²	100	128.3 Å²	128.3	61%	0.613	65%	0.652	S	S	*	*			trans	-110.5	148.9	177.2	59.7	0	0	0	0	112.2	M298 K302	M298-T300 PolarHBondContact O-N 2.98Å; T300-K302 PolarHBondContact O-N 3.05Å
301	L	53.8	Low	57.1	Low	163 Å²	163	129.5 Å²	129.5	85%	0.853	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-10.8	-170.3	-65.4	168.7	0	0	0	115.1	A303 A304	L301-A303 PolarHBondContact O-N 2.83Å; L301-A303 VanDerWaalsContact O-N 3.15Å; L301-A304 WeakPolarHBondContact O-CB 3.31Å; L301-A304 PolarHBondContact O-N 3.14Å
302	K	54.1	Low	57	Low	169 Å²	169	128.5 Å²	128.5	74%	0.735	65%	0.647	S	S	*	*	H	α-helix	trans	-60	-26.2	-177.4	-66.2	-176.4	176.9	-179.3	0	113.6	T300 A304 N305	T300-K302 PolarHBondContact O-N 3.05Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.76Å; K302-N305 PolarHBondContact O-N 2.6Å
303	A	45.6	Very low	56.9	Low	66 Å²	66	130.5 Å²	130.5	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-67.4	-22.8	176.7	0	0	0	0	0	114.1	L301	L301-A303 PolarHBondContact O-N 2.83Å; L301-A303 VanDerWaalsContact O-N 3.15Å
304	A	50.4	Low	57	Low	62 Å²	62	128.4 Å²	128.4	51%	0.512	64%	0.643	S	S	.	*	H	α-helix	trans	-71.4	-46.5	175.9	0	0	0	0	0	111.4	L301 K302 I306 R307 A308	L301-A304 WeakPolarHBondContact O-CB 3.31Å; L301-A304 PolarHBondContact O-N 3.14Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.76Å; A304-I306 VanDerWaalsContact C-N 3.32Å; A304-I306 PolarHBondContact O-N 3.35Å; A304-R307 PolarHBondContact O-N 3.01Å; A304-R307 VanDerWaalsContact O-N 3.09Å; A304-A308 PolarHBondContact O-N 2.99Å
305	N	55.9	Low	57.1	Low	114 Å²	114	131 Å²	131	61%	0.61	65%	0.645	S	S	*	*	H	α-helix	trans	-62.6	-35.5	-179.1	-81.7	14.6	0	0	0	112.8	K302 R307 A308 V309	K302-N305 PolarHBondContact O-N 2.6Å; N305-R307 PolarHBondContact O-N 3.1Å; N305-A308 PolarHBondContact O-N 2.79Å; N305-A308 VanDerWaalsContact O-N 3.1Å; N305-V309 WeakPolarHBondContact O-CG2 3.46Å; N305-V309 PolarHBondContact O-N 3.1Å
306	I	56.5	Low	57.1	Low	122 Å²	122	131 Å²	131	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-60.2	-37.1	176.4	-62.2	171.5	0	0	0	111	A304 K310	A304-I306 VanDerWaalsContact C-N 3.32Å; A304-I306 PolarHBondContact O-N 3.35Å; I306-K310 PolarHBondContact O-N 2.87Å
307	R	58.1	Low	57.4	Low	198 Å²	198	130.8 Å²	130.8	75%	0.747	64%	0.635	S	S	*	*	H	α-helix	trans	-77.7	-27	176	-66.3	-177.5	178	-178.5	-0.6	113.1	A304 N305 R311	A304-R307 PolarHBondContact O-N 3.01Å; A304-R307 VanDerWaalsContact O-N 3.09Å; N305-R307 PolarHBondContact O-N 3.1Å; R307-R311 PolarHBondContact O-N 2.79Å
308	A	60.5	Low	57.4	Low	41 Å²	41	125.8 Å²	125.8	34%	0.339	63%	0.626	S	S	.	*	H	α-helix	trans	-70.2	-53.2	171.5	0	0	0	0	0	111.1	A304 N305 K310 R311 E312	A304-A308 PolarHBondContact O-N 2.99Å; N305-A308 PolarHBondContact O-N 2.79Å; N305-A308 VanDerWaalsContact O-N 3.1Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.28Å; A308-R311 CarbonylContact O-C 3.54Å; A308-R311 WeakPolarHBondContact O-CA 3.39Å; A308-R311 WeakPolarHBondContact O-CB 3.22Å; A308-R311 PolarHBondContact O-N 3.46Å; A308-E312 PolarHBondContact O-N 3.26Å
309	V	65.6	Low	57.7	Low	77 Å²	77	127.9 Å²	127.9	47%	0.467	63%	0.631	S	S	.	*	H	α-helix	trans	-57.6	-42.2	179.1	172.6	0	0	0	0	111.6	N305 R311 E312 Q313	N305-V309 WeakPolarHBondContact O-CG2 3.46Å; N305-V309 PolarHBondContact O-N 3.1Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 2.86Å; V309-E312 WeakPolarHBondContact O-CB 3.32Å; V309-E312 PolarHBondContact O-N 2.65Å; V309-E312 VanDerWaalsContact O-N 3.16Å; V309-Q313 HydrophobicContact CG1-CG 4.3Å; V309-Q313 WeakPolarHBondContact O-CB 3.43Å; V309-Q313 WeakPolarHBondContact O-CG 3.38Å; V309-Q313 PolarHBondContact O-N 3Å
310	K	66.6	Low	57.9	Low	155 Å²	155	129.4 Å²	129.4	67%	0.674	63%	0.626	S	S	*	*	H	α-helix	trans	-65	-28.6	176.1	-126.3	177.6	-175.7	-179.8	0	113.5	I306 A308 F314	I306-K310 PolarHBondContact O-N 2.87Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.28Å; K310-F314 WeakPolarHBondContact O-CB 3.32Å; K310-F314 PolarHBondContact O-N 3.38Å
311	R	68	Low	57.6	Low	187 Å²	187	134.3 Å²	134.3	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-76.8	-35.7	173.2	-171.8	-172.8	-65.3	143.9	-3	111.6	R307 A308 V309 R315	R307-R311 PolarHBondContact O-N 2.79Å; A308-R311 CarbonylContact O-C 3.54Å; A308-R311 WeakPolarHBondContact O-CA 3.39Å; A308-R311 WeakPolarHBondContact O-CB 3.22Å; A308-R311 PolarHBondContact O-N 3.46Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 2.86Å; R311-R315 WeakPolarHBondContact O-CB 3.44Å; R311-R315 PolarHBondContact O-N 3.46Å
312	E	65.4	Low	57.1	Low	94 Å²	94	131.9 Å²	131.9	44%	0.439	63%	0.633	S	S	.	*	H	α-helix	trans	-66.3	-48	175.6	-153.5	94.8	-111.8	0	0	111.1	A308 V309 F314 R315 Q316	A308-E312 PolarHBondContact O-N 3.26Å; V309-E312 WeakPolarHBondContact O-CB 3.32Å; V309-E312 PolarHBondContact O-N 2.65Å; V309-E312 VanDerWaalsContact O-N 3.16Å; E312-F314 VanDerWaalsContact C-N 3.34Å; E312-F314 PolarHBondContact O-N 2.79Å; E312-R315 CarbonylContact O-C 3.58Å; E312-R315 WeakPolarHBondContact O-CA 3.3Å; E312-R315 WeakPolarHBondContact O-CB 3.31Å; E312-R315 PolarHBondContact O-N 3.4Å; E312-R315 IonicContact OE1-CZ 3.83Å; E312-R315 IonicContact OE1-NE 2.6Å; E312-R315 IonicContact OE1-NH2 3.85Å; E312-R315 PolarHBondContact OE1-NH2 3.43Å; E312-Q316 PolarHBondContact O-N 3.41Å
313	Q	64.4	Low	56.8	Low	99 Å²	99	127.3 Å²	127.3	46%	0.463	63%	0.634	S	S	.	*	H	α-helix	trans	-58	-43.5	174.7	-73.3	172.4	-25.4	0	0	111.8	V309 R315 Q316 Q317	V309-Q313 HydrophobicContact CG1-CG 4.3Å; V309-Q313 WeakPolarHBondContact O-CB 3.43Å; V309-Q313 WeakPolarHBondContact O-CG 3.38Å; V309-Q313 PolarHBondContact O-N 3Å; Q313-R315 VanDerWaalsContact C-N 3.28Å; Q313-R315 PolarHBondContact O-N 2.95Å; Q313-Q316 PolarHBondContact O-N 2.57Å; Q313-Q317 WeakPolarHBondContact O-CG 3.39Å; Q313-Q317 PolarHBondContact O-N 3.23Å
314	F	61	Low	56.5	Low	135 Å²	135	131.7 Å²	131.7	59%	0.592	65%	0.648	S	S	*	*	H	α-helix	trans	-64.6	-31.5	174.6	-168.5	-99.3	0	0	0	112.6	K310 E312 L318	K310-F314 WeakPolarHBondContact O-CB 3.32Å; K310-F314 PolarHBondContact O-N 3.38Å; E312-F314 VanDerWaalsContact C-N 3.34Å; E312-F314 PolarHBondContact O-N 2.79Å; F314-L318 HydrophobicContact CD1-CD1 4.05Å; F314-L318 HydrophobicContact CE1-CD1 3.73Å; F314-L318 HydrophobicContact CZ-CD1 4.4Å; F314-L318 PolarHBondContact O-N 2.93Å
315	R	64.8	Low	56.3	Low	171 Å²	171	136.8 Å²	136.8	65%	0.645	67%	0.667	S	S	*	*	H	α-helix	trans	-77.9	-25.4	175.4	-165.1	171.7	68.7	138.8	-3.1	113	R311 E312 Q313	R311-R315 WeakPolarHBondContact O-CB 3.44Å; R311-R315 PolarHBondContact O-N 3.46Å; E312-R315 CarbonylContact O-C 3.58Å; E312-R315 WeakPolarHBondContact O-CA 3.3Å; E312-R315 WeakPolarHBondContact O-CB 3.31Å; E312-R315 PolarHBondContact O-N 3.4Å; E312-R315 IonicContact OE1-CZ 3.83Å; E312-R315 IonicContact OE1-NE 2.6Å; E312-R315 IonicContact OE1-NH2 3.85Å; E312-R315 PolarHBondContact OE1-NH2 3.43Å; Q313-R315 VanDerWaalsContact C-N 3.28Å; Q313-R315 PolarHBondContact O-N 2.95Å
316	Q	57.3	Low	55.9	Low	125 Å²	125	139 Å²	139	58%	0.584	68%	0.677	S	S	*	*	H	α-helix	trans	-77.2	-42.6	171.7	-73.3	171.4	-29	0	0	111.6	E312 Q313 L318 K319	E312-Q316 PolarHBondContact O-N 3.41Å; Q313-Q316 PolarHBondContact O-N 2.57Å; Q316-L318 PolarHBondContact O-N 2.91Å; Q316-L318 VanDerWaalsContact O-N 3.16Å; Q316-K319 PolarHBondContact O-N 3.21Å
317	Q	55	Low	55.6	Low	153 Å²	153	141.8 Å²	141.8	72%	0.715	69%	0.688	S	S	*	*	H	α-helix	trans	-62	-20.8	173.7	-74.5	-178.8	-22.4	0	0	113.8	Q313 K319	Q313-Q317 WeakPolarHBondContact O-CG 3.39Å; Q313-Q317 PolarHBondContact O-N 3.23Å; Q317-K319 VanDerWaalsContact C-N 3.33Å
318	L	55.3	Low	55.2	Low	133 Å²	133	138.1 Å²	138.1	70%	0.696	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	4.6	171.2	-82.8	167.2	0	0	0	114.2	F314 Q316	F314-L318 HydrophobicContact CD1-CD1 4.05Å; F314-L318 HydrophobicContact CE1-CD1 3.73Å; F314-L318 HydrophobicContact CZ-CD1 4.4Å; F314-L318 PolarHBondContact O-N 2.93Å; Q316-L318 PolarHBondContact O-N 2.91Å; Q316-L318 VanDerWaalsContact O-N 3.16Å
319	K	51.7	Low	54.6	Low	185 Å²	185	142.2 Å²	142.2	80%	0.804	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-6.6	-178.9	-154.9	174.3	179.2	-171.8	0	114.3	Q316 Q317	Q316-K319 PolarHBondContact O-N 3.21Å; Q317-K319 VanDerWaalsContact C-N 3.33Å
320	E	51.1	Low	54.2	Low	169 Å²	169	143.3 Å²	143.3	79%	0.79	72%	0.724	S	S	*	*			trans	-127.5	92.3	175.9	-70	-174.1	158.7	0	0	112
321	K	47.5	Very low	53.8	Low	203 Å²	203	146.3 Å²	146.3	88%	0.883	73%	0.733	S	S	*	*			trans	-148.3	159.3	146.5	-98.3	-138.4	167.7	-169.7	0	109.7
322	P	43.3	Very low	53.3	Low	112 Å²	112	144.3 Å²	144.3	73%	0.727	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.5	165.3	-161.4	-18.6	33	0	0	0	113.6
323	G	48.5	Very low	53.4	Low	73 Å²	73	143.4 Å²	143.4	75%	0.753	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-76.3	138.1	161.7	0	0	0	0	0	110.4
324	D	38.8	Very low	53.5	Low	157 Å²	157	147.2 Å²	147.2	84%	0.84	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-92.5	134	155.1	-66.5	-53.5	0	0	0	107.1
325	D	46.5	Very low	53.8	Low	170 Å²	170	150.9 Å²	150.9	91%	0.909	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-64.8	137.4	-179.5	-72.7	-64.7	0	0	0	111.9
326	I	48.5	Very low	53.9	Low	160 Å²	160	147 Å²	147	82%	0.821	75%	0.75	S	S	*	*			trans	-124.2	122.6	167.3	-62.8	179.8	0	0	0	107.4
327	E	49.4	Very low	54	Low	181 Å²	181	149.3 Å²	149.3	85%	0.846	77%	0.766	S	S	*	*			trans	-60.7	151.1	-175.2	-63.2	176.4	123.1	0	0	112.9	T329	E327-T329 PolarHBondContact O-N 3.1Å
328	S	50.3	Low	54.5	Low	120 Å²	120	147.8 Å²	147.8	84%	0.839	76%	0.761	S	S	*	*			trans	-50.1	114.4	-174.1	40.8	0	0	0	0	115.1
329	T	46.8	Very low	54.9	Low	128 Å²	128	147.6 Å²	147.6	79%	0.785	77%	0.766	S	S	*	*			trans	-96.4	113.3	158.1	52	0	0	0	0	110	E327 Y331	E327-T329 PolarHBondContact O-N 3.1Å; T329-Y331 PolarHBondContact O-N 3.48Å
330	S	57	Low	55.4	Low	100 Å²	100	144.1 Å²	144.1	70%	0.699	76%	0.762	S	S	*	*	S	Bend	trans	-76.8	13.9	-163.7	46	0	0	0	0	116.7
331	Y	58.7	Low	55.9	Low	217 Å²	217	140.7 Å²	140.7	85%	0.851	76%	0.763	S	S	*	*			trans	-137.8	80.3	-172.9	-63.9	-78.9	0	0	0	112.6	T329	T329-Y331 PolarHBondContact O-N 3.48Å
332	F	58.4	Low	56.5	Low	146 Å²	146	140.6 Å²	140.6	64%	0.64	77%	0.765	S	S	*	*			trans	-147.4	119.2	172.3	-167.8	-95.3	0	0	0	111.7	I338	F332-I338 HydrophobicContact CE2-CD1 4.27Å
333	D	66.4	Low	57.4	Low	74 Å²	74	146 Å²	146	40%	0.396	77%	0.771	S	S	.	*			trans	-91	116.3	176.7	-169.2	-34.3	0	0	0	110.6	R335 V336	D333-R335 PolarHBondContact O-N 2.92Å; D333-R335 VanDerWaalsContact O-N 3.08Å; D333-R335 VanDerWaalsContact OD1-CB 3.28Å; D333-R335 WeakPolarHBondContact OD1-CB 3.35Å; D333-R335 WeakPolarHBondContact OD1-CG 3.25Å; D333-R335 IonicContact OD1-CZ 3.37Å; D333-R335 PolarHBondContact OD1-N 3.5Å; D333-R335 IonicContact OD1-NE 2.67Å; D333-R335 PolarHBondContact OD1-NE 3.36Å; D333-R335 IonicContact OD1-NH2 2.61Å; D333-R335 IonicContact OD2-CZ 2.72Å; D333-R335 IonicContact OD2-NE 3.3Å; D333-R335 PolarHBondContact OD2-NE 2.77Å; D333-R335 IonicContact OD2-NH2 3.76Å; D333-R335 PolarHBondContact OD2-NH2 2.9Å; D333-V336 PolarHBondContact O-N 3.05Å
334	Q	66.6	Low	58	Low	180 Å²	180	149 Å²	149	84%	0.841	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-10.9	-176.5	-62.6	-178.3	0.3	0	0	114.1	V336	Q334-V336 VanDerWaalsContact C-N 3.29Å; Q334-V336 PolarHBondContact O-N 3.06Å
335	R	68.5	Low	59.2	Low	212 Å²	212	153.5 Å²	153.5	80%	0.8	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-8	179.2	-62.8	172.1	-70.9	-169.9	1.4	113.6	D333	D333-R335 PolarHBondContact O-N 2.92Å; D333-R335 VanDerWaalsContact O-N 3.08Å; D333-R335 VanDerWaalsContact OD1-CB 3.28Å; D333-R335 WeakPolarHBondContact OD1-CB 3.35Å; D333-R335 WeakPolarHBondContact OD1-CG 3.25Å; D333-R335 IonicContact OD1-CZ 3.37Å; D333-R335 PolarHBondContact OD1-N 3.5Å; D333-R335 IonicContact OD1-NE 2.67Å; D333-R335 PolarHBondContact OD1-NE 3.36Å; D333-R335 IonicContact OD1-NH2 2.61Å; D333-R335 IonicContact OD2-CZ 2.72Å; D333-R335 IonicContact OD2-NE 3.3Å; D333-R335 PolarHBondContact OD2-NE 2.77Å; D333-R335 IonicContact OD2-NH2 3.76Å; D333-R335 PolarHBondContact OD2-NH2 2.9Å
336	V	65.5	Low	60.2	Low	88 Å²	88	157 Å²	157	53%	0.533	78%	0.781	S	S	.	*			trans	-102.6	103.8	-178.6	-171.2	0	0	0	0	111.2	D333 Q334 I338	D333-V336 PolarHBondContact O-N 3.05Å; Q334-V336 VanDerWaalsContact C-N 3.29Å; Q334-V336 PolarHBondContact O-N 3.06Å; V336-I338 HydrophobicContact CG1-CG1 3.92Å; V336-I338 PolarHBondContact O-N 3.34Å
337	L	59.3	Low	61.4	Low	175 Å²	175	152.5 Å²	152.5	92%	0.916	77%	0.774	S	S	*	*			trans	-72.4	87.9	175.4	-87.8	157.8	0	0	0	111.8	T339	L337-T339 PolarHBondContact O-N 2.96Å
338	I	67.3	Low	62.1	Low	121 Å²	121	152.8 Å²	152.8	62%	0.621	77%	0.773	S	S	*	*			trans	-84.7	105.8	174.9	-55.6	178.3	0	0	0	110.1	F332 V336	F332-I338 HydrophobicContact CE2-CD1 4.27Å; V336-I338 HydrophobicContact CG1-CG1 3.92Å; V336-I338 PolarHBondContact O-N 3.34Å
339	T	63.1	Low	63.3	Low	128 Å²	128	156.1 Å²	156.1	79%	0.785	77%	0.772	S	S	*	*			trans	-65.5	124.6	172.1	-52.4	0	0	0	0	110.6	L337 A341	L337-T339 PolarHBondContact O-N 2.96Å; T339-A341 PolarHBondContact O-N 2.98Å
340	P	61.1	Low	64.8	Low	112 Å²	112	158.6 Å²	158.6	73%	0.727	77%	0.772	S	S	*	*			trans	-66	132.3	-176.4	25.3	-34	0	0	0	112	Q342	P340-Q342 PolarHBondContact O-N 3.22Å
341	A	62.3	Low	66	Low	97 Å²	97	158.8 Å²	158.8	80%	0.802	76%	0.762	S	S	*	*			trans	-68.4	105.8	-174.5	0	0	0	0	0	112	T339 R343	T339-A341 PolarHBondContact O-N 2.98Å; A341-R343 PolarHBondContact O-N 3.43Å
342	Q	59.5	Low	67.2	Low	202 Å²	202	155.8 Å²	155.8	94%	0.944	76%	0.755	S	S	*	*			trans	-72.9	29.6	-172.6	-149.9	-178.6	28	0	0	115.2	P340	P340-Q342 PolarHBondContact O-N 3.22Å
343	R	62.5	Low	68.2	Low	226 Å²	226	155.1 Å²	155.1	85%	0.853	77%	0.766	S	S	*	*	S	Bend	trans	-112.4	122.4	172.5	-74.8	-174.2	177.5	177.4	1.4	109.8	A341 R345	A341-R343 PolarHBondContact O-N 3.43Å; R343-R345 PolarHBondContact O-N 2.79Å
344	T	61.8	Low	69.2	Low	135 Å²	135	152.3 Å²	152.3	83%	0.828	76%	0.755	S	S	*	*			trans	-57	124.4	169.7	42.2	0	0	0	0	110.2	R346	T344-R346 PolarHBondContact O-N 3Å; T344-R346 VanDerWaalsContact O-N 3.15Å
345	R	64.1	Low	70.2	Confident	252 Å²	252	149.2 Å²	149.2	95%	0.951	74%	0.735	S	S	*	*			trans	-62.3	117.4	174.7	-78	-173.8	169.3	-168.8	-3.1	108.6	R343 G347	R343-R345 PolarHBondContact O-N 2.79Å; R345-G347 PolarHBondContact O-N 3.2Å; R345-G347 VanDerWaalsContact O-N 3.14Å
346	R	67.1	Low	71.1	Confident	243 Å²	243	144.8 Å²	144.8	92%	0.917	72%	0.722	S	S	*	*			trans	-71.1	105.8	173.7	-70.1	-175.9	176.1	-170.9	-1.2	108.5	T344	T344-R346 PolarHBondContact O-N 3Å; T344-R346 VanDerWaalsContact O-N 3.15Å
347	G	73.3	Confident	72.2	Confident	65 Å²	65	146.8 Å²	146.8	67%	0.67	73%	0.725	S	S	*	*			trans	-62.5	148.2	171.7	0	0	0	0	0	111.8	R345 K349	R345-G347 PolarHBondContact O-N 3.2Å; R345-G347 VanDerWaalsContact O-N 3.14Å; G347-K349 PolarHBondContact O-N 2.75Å
348	F	65.3	Low	73.7	Confident	188 Å²	188	145.1 Å²	145.1	83%	0.825	71%	0.711	S	S	*	*			trans	-67.3	102.5	175.9	-82.3	-94.1	0	0	0	110.5	F350	F348-F350 HydrophobicContact CB-CD2 4.38Å; F348-F350 HydrophobicContact CB-CE2 3.94Å; F348-F350 HydrophobicContact CB-CZ 4.47Å; F348-F350 PolarHBondContact O-N 2.9Å
349	K	74.9	Confident	74.8	Confident	189 Å²	189	142.8 Å²	142.8	82%	0.822	70%	0.699	S	S	*	*			trans	-86.2	96	162.4	-73.4	-163	173.3	-167.2	0	108.7	G347	G347-K349 PolarHBondContact O-N 2.75Å
350	F	78.9	Confident	76.1	Confident	180 Å²	180	138.4 Å²	138.4	79%	0.789	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.8	142.4	166.8	-69.7	-86.4	0	0	0	109.7	F348	F348-F350 HydrophobicContact CB-CD2 4.38Å; F348-F350 HydrophobicContact CB-CE2 3.94Å; F348-F350 HydrophobicContact CB-CZ 4.47Å; F348-F350 PolarHBondContact O-N 2.9Å
351	H	81.3	Confident	77.7	Confident	105 Å²	105	138.2 Å²	138.2	49%	0.486	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-102.9	140.8	174.1	-72.9	-56	0	0	0	108.9	R355 F356	H351-R355 PolarHBondContact CE1-NH1 2.87Å; H351-R355 PolarHBondContact ND1-NH1 3.46Å; H351-F356 HydrophobicContact CB-CD2 4.33Å; H351-F356 HydrophobicContact CB-CE2 3.65Å; H351-F356 HydrophobicContact CB-CZ 4.33Å; H351-F356 AromaticContact CD2-CE2 3.37Å; H351-F356 WeakPolarHBondContact CD2-CE2 3.37Å; H351-F356 AromaticContact CD2-CZ 3.36Å; H351-F356 WeakPolarHBondContact CD2-CZ 3.42Å; H351-F356 AromaticContact CG-CE2 3.7Å; H351-F356 AromaticContact CG-CZ 3.91Å; H351-F356 AromaticContact NE2-CZ 3.93Å
352	E	83.2	Confident	79.1	Confident	153 Å²	153	142 Å²	142	72%	0.715	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-53.7	139.8	-179.9	-64.6	164.4	166	0	0	111.5	R355	E352-R355 WeakPolarHBondContact O-CB 3.4Å; E352-R355 PolarHBondContact O-N 2.91Å; E352-R355 VanDerWaalsContact O-N 3.13Å
353	P	80.8	Confident	80.7	Confident	132 Å²	132	136.8 Å²	136.8	86%	0.857	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	145.3	178.4	24.3	-33.5	0	0	0	110.9	R355	P353-R355 PolarHBondContact O-N 3.4Å; P353-R355 VanDerWaalsContact O-N 3.14Å
354	G	86	Confident	82.2	Confident	16 Å²	16	134 Å²	134	17%	0.165	63%	0.63	C	S	.	*	T	Hydrogen-bonded Turn	trans	72.3	-8.6	-175	0	0	0	0	0	116.2	F356 E357 K358	G354-F356 PolarHBondContact O-N 2.85Å; G354-E357 WeakPolarHBondContact CA-OE2 3.43Å; G354-E357 PolarHBondContact O-N 2.99Å; G354-K358 WeakPolarHBondContact O-CB 3.15Å; G354-K358 WeakPolarHBondContact O-CG 3.43Å; G354-K358 PolarHBondContact O-N 3.22Å
355	R	88.5	Confident	83.6	Confident	115 Å²	115	130.9 Å²	130.9	43%	0.434	61%	0.611	S	S	.	*	H	α-helix	trans	-59.8	-47.2	177.4	-175	177.3	-174.9	-106.9	-0.3	111.9	H351 E352 P353 I359	H351-R355 PolarHBondContact CE1-NH1 2.87Å; H351-R355 PolarHBondContact ND1-NH1 3.46Å; E352-R355 WeakPolarHBondContact O-CB 3.4Å; E352-R355 PolarHBondContact O-N 2.91Å; E352-R355 VanDerWaalsContact O-N 3.13Å; P353-R355 PolarHBondContact O-N 3.4Å; P353-R355 VanDerWaalsContact O-N 3.14Å; R355-I359 HydrophobicContact CG-CD1 4.44Å; R355-I359 WeakPolarHBondContact O-CD1 3.29Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.25Å; R355-I359 PolarHBondContact O-N 3.01Å
356	F	87.3	Confident	85	Confident	118 Å²	118	124.8 Å²	124.8	52%	0.518	59%	0.591	S	S	.	*	H	α-helix	trans	-76.5	-27	177.3	-69.5	-64.4	0	0	0	113.3	H351 G354 I359 A360	H351-F356 HydrophobicContact CB-CD2 4.33Å; H351-F356 HydrophobicContact CB-CE2 3.65Å; H351-F356 HydrophobicContact CB-CZ 4.33Å; H351-F356 AromaticContact CD2-CE2 3.37Å; H351-F356 WeakPolarHBondContact CD2-CE2 3.37Å; H351-F356 AromaticContact CD2-CZ 3.36Å; H351-F356 WeakPolarHBondContact CD2-CZ 3.42Å; H351-F356 AromaticContact CG-CE2 3.7Å; H351-F356 AromaticContact CG-CZ 3.91Å; H351-F356 AromaticContact NE2-CZ 3.93Å; G354-F356 PolarHBondContact O-N 2.85Å; F356-I359 HydrophobicContact CD1-CD1 4.14Å; F356-I359 PolarHBondContact O-N 2.76Å; F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.25Å; F356-A360 PolarHBondContact O-N 2.96Å
357	E	88.9	Confident	86.2	Confident	130 Å²	130	115.4 Å²	115.4	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-66.3	-45.8	174.7	-60.8	173.9	165.9	0	0	110.8	G354 I359 A360 Q361	G354-E357 WeakPolarHBondContact CA-OE2 3.43Å; G354-E357 PolarHBondContact O-N 2.99Å; E357-I359 VanDerWaalsContact C-N 3.27Å; E357-I359 PolarHBondContact O-N 2.87Å; E357-A360 PolarHBondContact O-N 3.14Å; E357-Q361 WeakPolarHBondContact O-CB 3.45Å; E357-Q361 VanDerWaalsContact O-CG 3.26Å; E357-Q361 WeakPolarHBondContact O-CG 3.1Å; E357-Q361 PolarHBondContact O-N 2.97Å
358	K	90.3	Very high	87	Confident	140 Å²	140	118 Å²	118	61%	0.609	56%	0.56	S	S	*	*	H	α-helix	trans	-61.8	-34.1	174	-69.9	170.8	-176.9	174.9	0	112.2	G354 R362	G354-K358 WeakPolarHBondContact O-CB 3.15Å; G354-K358 WeakPolarHBondContact O-CG 3.43Å; G354-K358 PolarHBondContact O-N 3.22Å; K358-R362 WeakPolarHBondContact O-CB 3.2Å; K358-R362 PolarHBondContact O-N 3.01Å; K358-R362 VanDerWaalsContact O-N 3.13Å
359	I	90.7	Very high	88.2	Confident	72 Å²	72	114.6 Å²	114.6	37%	0.369	55%	0.55	S	S	.	.	H	α-helix	trans	-69.4	-47.5	172.5	-68.1	165.2	0	0	0	110.7	R355 F356 E357 R362 V363	R355-I359 HydrophobicContact CG-CD1 4.44Å; R355-I359 WeakPolarHBondContact O-CD1 3.29Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.25Å; R355-I359 PolarHBondContact O-N 3.01Å; F356-I359 HydrophobicContact CD1-CD1 4.14Å; F356-I359 PolarHBondContact O-N 2.76Å; E357-I359 VanDerWaalsContact C-N 3.27Å; E357-I359 PolarHBondContact O-N 2.87Å; I359-R362 PolarHBondContact O-N 3.39Å; I359-V363 WeakPolarHBondContact O-CG2 3Å; I359-V363 PolarHBondContact O-N 3.07Å
360	A	90.6	Very high	88.9	Confident	36 Å²	36	109.9 Å²	109.9	30%	0.298	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-39.8	179.7	0	0	0	0	0	112.3	F356 E357 V363 R364	F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.25Å; F356-A360 PolarHBondContact O-N 2.96Å; E357-A360 PolarHBondContact O-N 3.14Å; A360-V363 PolarHBondContact O-N 3.34Å; A360-R364 WeakPolarHBondContact O-CB 3.34Å; A360-R364 VanDerWaalsContact O-CG 3.26Å; A360-R364 WeakPolarHBondContact O-CG 3.42Å; A360-R364 PolarHBondContact O-N 3.41Å
361	Q	93.9	Very high	89.4	Confident	108 Å²	108	110.7 Å²	110.7	51%	0.505	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-48	171	-74.9	169.3	-10.4	0	0	110.8	E357 V363 R364 T365	E357-Q361 WeakPolarHBondContact O-CB 3.45Å; E357-Q361 VanDerWaalsContact O-CG 3.26Å; E357-Q361 WeakPolarHBondContact O-CG 3.1Å; E357-Q361 PolarHBondContact O-N 2.97Å; Q361-V363 VanDerWaalsContact C-N 3.31Å; Q361-V363 PolarHBondContact O-N 3.22Å; Q361-R364 PolarHBondContact O-N 3.36Å; Q361-T365 PolarHBondContact O-N 2.78Å; Q361-T365 PolarHBondContact O-OG1 2.93Å
362	R	92.3	Very high	89.7	Confident	178 Å²	178	110 Å²	110	67%	0.672	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-34.8	176.2	-172.1	-178.2	-64.2	153.8	0.1	113.1	K358 I359 T365 K366	K358-R362 WeakPolarHBondContact O-CB 3.2Å; K358-R362 PolarHBondContact O-N 3.01Å; K358-R362 VanDerWaalsContact O-N 3.13Å; I359-R362 PolarHBondContact O-N 3.39Å; R362-T365 PolarHBondContact O-OG1 3.47Å; R362-K366 WeakPolarHBondContact O-CB 3.26Å; R362-K366 PolarHBondContact O-N 2.79Å
363	V	93.8	Very high	89.6	Confident	92 Å²	92	109.2 Å²	109.2	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-68.9	-43	173.6	169.8	0	0	0	0	111	I359 A360 Q361 K366 A367	I359-V363 WeakPolarHBondContact O-CG2 3Å; I359-V363 PolarHBondContact O-N 3.07Å; A360-V363 PolarHBondContact O-N 3.34Å; Q361-V363 VanDerWaalsContact C-N 3.31Å; Q361-V363 PolarHBondContact O-N 3.22Å; V363-K366 PolarHBondContact O-N 3.27Å; V363-A367 WeakPolarHBondContact O-CB 3.4Å; V363-A367 PolarHBondContact O-N 3.05Å
364	R	93.4	Very high	89.8	Confident	167 Å²	167	107.6 Å²	107.6	63%	0.63	51%	0.508	S	S	*	.	H	α-helix	trans	-62.6	-47	176	-71.2	167.8	-171.8	163	2.6	112	A360 Q361 A367 Q368	A360-R364 WeakPolarHBondContact O-CB 3.34Å; A360-R364 VanDerWaalsContact O-CG 3.26Å; A360-R364 WeakPolarHBondContact O-CG 3.42Å; A360-R364 PolarHBondContact O-N 3.41Å; Q361-R364 PolarHBondContact O-N 3.36Å; R364-A367 PolarHBondContact O-N 3.4Å; R364-Q368 WeakPolarHBondContact O-CG 3.18Å; R364-Q368 PolarHBondContact O-N 2.99Å
365	T	90.6	Very high	89.8	Confident	70 Å²	70	112.8 Å²	112.8	43%	0.429	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-36.3	178.7	56.8	0	0	0	0	112.2	Q361 R362 Q368 L369	Q361-T365 PolarHBondContact O-N 2.78Å; Q361-T365 PolarHBondContact O-OG1 2.93Å; R362-T365 PolarHBondContact O-OG1 3.47Å; T365-Q368 PolarHBondContact O-N 3.05Å; T365-L369 WeakPolarHBondContact O-CG 3.25Å; T365-L369 PolarHBondContact O-N 2.68Å
366	K	94.2	Very high	89.4	Confident	123 Å²	123	112.9 Å²	112.9	54%	0.535	54%	0.536	S	S	.	.	H	α-helix	trans	-58.8	-48.5	169.1	-169.8	-161.2	174.2	-99.6	0	111	R362 V363 Q368 L369 E370	R362-K366 WeakPolarHBondContact O-CB 3.26Å; R362-K366 PolarHBondContact O-N 2.79Å; V363-K366 PolarHBondContact O-N 3.27Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 PolarHBondContact O-N 3.47Å; K366-L369 PolarHBondContact O-N 3.39Å; K366-E370 IonicContact NZ-OE1 3.44Å; K366-E370 PolarHBondContact NZ-OE1 3.41Å; K366-E370 IonicContact NZ-OE2 2.72Å; K366-E370 PolarHBondContact NZ-OE2 3.34Å; K366-E370 VanDerWaalsContact O-CB 3.29Å; K366-E370 WeakPolarHBondContact O-CB 3.36Å; K366-E370 PolarHBondContact O-N 2.71Å
367	A	91.5	Very high	88.8	Confident	46 Å²	46	109.5 Å²	109.5	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-65.3	-31.6	-179.9	0	0	0	0	0	113.1	V363 R364 R371	V363-A367 WeakPolarHBondContact O-CB 3.4Å; V363-A367 PolarHBondContact O-N 3.05Å; R364-A367 PolarHBondContact O-N 3.4Å; A367-R371 WeakPolarHBondContact O-CB 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.21Å; A367-R371 PolarHBondContact O-N 3.48Å
368	Q	90.3	Very high	88.3	Confident	120 Å²	120	108.9 Å²	108.9	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-68.6	-44.5	171.7	-75	172.5	-49.3	0	0	111.9	R364 T365 K366 E370 R371 L372	R364-Q368 WeakPolarHBondContact O-CG 3.18Å; R364-Q368 PolarHBondContact O-N 2.99Å; T365-Q368 PolarHBondContact O-N 3.05Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 PolarHBondContact O-N 3.47Å; Q368-E370 VanDerWaalsContact C-N 3.33Å; Q368-E370 PolarHBondContact O-N 2.79Å; Q368-R371 PolarHBondContact O-N 3.29Å; Q368-L372 WeakPolarHBondContact O-CG 3.17Å; Q368-L372 PolarHBondContact O-N 2.74Å
369	L	91.1	Very high	87.7	Confident	116 Å²	116	104.7 Å²	104.7	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-38.6	174.5	-71.7	169.8	0	0	0	112	T365 K366 L372 Q373	T365-L369 WeakPolarHBondContact O-CG 3.25Å; T365-L369 PolarHBondContact O-N 2.68Å; K366-L369 PolarHBondContact O-N 3.39Å; L369-L372 PolarHBondContact O-N 3.23Å; L369-Q373 VanDerWaalsContact O-CB 3.25Å; L369-Q373 WeakPolarHBondContact O-CB 3.2Å; L369-Q373 PolarHBondContact O-N 3.24Å
370	E	90.1	Very high	86.6	Confident	91 Å²	91	102.3 Å²	102.3	43%	0.425	51%	0.51	S	S	.	.	H	α-helix	trans	-68.5	-36.3	177	-168.7	157.4	-153.5	0	0	111.7	K366 Q368 N374	K366-E370 IonicContact NZ-OE1 3.44Å; K366-E370 PolarHBondContact NZ-OE1 3.41Å; K366-E370 IonicContact NZ-OE2 2.72Å; K366-E370 PolarHBondContact NZ-OE2 3.34Å; K366-E370 VanDerWaalsContact O-CB 3.29Å; K366-E370 WeakPolarHBondContact O-CB 3.36Å; K366-E370 PolarHBondContact O-N 2.71Å; Q368-E370 VanDerWaalsContact C-N 3.33Å; Q368-E370 PolarHBondContact O-N 2.79Å; E370-N374 WeakPolarHBondContact O-CB 3.42Å; E370-N374 VanDerWaalsContact O-CG 3.27Å; E370-N374 PolarHBondContact O-N 2.88Å; E370-N374 PolarHBondContact O-ND2 2.93Å
371	R	88.1	Confident	85.4	Confident	196 Å²	196	108.3 Å²	108.3	74%	0.74	53%	0.529	S	S	*	.	H	α-helix	trans	-64.8	-50.8	168.7	-80.3	-179.3	177.5	178.1	-1.2	112.3	A367 Q368 Q373 N374 E375	A367-R371 WeakPolarHBondContact O-CB 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.21Å; A367-R371 PolarHBondContact O-N 3.48Å; Q368-R371 PolarHBondContact O-N 3.29Å; R371-Q373 VanDerWaalsContact C-N 3.28Å; R371-Q373 PolarHBondContact O-N 2.89Å; R371-N374 CarbonylContact O-C 3.58Å; R371-N374 PolarHBondContact O-N 2.82Å; R371-N374 VanDerWaalsContact O-N 3.13Å; R371-E375 WeakPolarHBondContact O-CB 3.41Å; R371-E375 PolarHBondContact O-N 2.92Å
372	L	87.4	Confident	84.4	Confident	90 Å²	90	111.7 Å²	111.7	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-59	-40.1	177.4	-75.3	166.9	0	0	0	111.7	Q368 L369 E375 I376	Q368-L372 WeakPolarHBondContact O-CG 3.17Å; Q368-L372 PolarHBondContact O-N 2.74Å; L369-L372 PolarHBondContact O-N 3.23Å; L372-E375 PolarHBondContact O-N 3.49Å; L372-I376 WeakPolarHBondContact O-CB 3.35Å; L372-I376 WeakPolarHBondContact O-CD1 3.22Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 2.91Å
373	Q	82.9	Confident	83.3	Confident	138 Å²	138	107.5 Å²	107.5	65%	0.645	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-41.6	175.7	-173.9	172.7	18.8	0	0	112	L369 R371 A377	L369-Q373 VanDerWaalsContact O-CB 3.25Å; L369-Q373 WeakPolarHBondContact O-CB 3.2Å; L369-Q373 PolarHBondContact O-N 3.24Å; R371-Q373 VanDerWaalsContact C-N 3.28Å; R371-Q373 PolarHBondContact O-N 2.89Å; Q373-A377 VanDerWaalsContact O-CB 3.27Å; Q373-A377 WeakPolarHBondContact O-CB 3.43Å; Q373-A377 PolarHBondContact O-N 2.85Å
374	N	84	Confident	81.7	Confident	97 Å²	97	104.6 Å²	104.6	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-68.6	-36.8	174.9	-75.4	-27.8	0	0	0	112.4	E370 R371 A377 Q378	E370-N374 WeakPolarHBondContact O-CB 3.42Å; E370-N374 VanDerWaalsContact O-CG 3.27Å; E370-N374 PolarHBondContact O-N 2.88Å; E370-N374 PolarHBondContact O-ND2 2.93Å; R371-N374 CarbonylContact O-C 3.58Å; R371-N374 PolarHBondContact O-N 2.82Å; R371-N374 VanDerWaalsContact O-N 3.13Å; N374-A377 PolarHBondContact O-N 3.02Å; N374-Q378 WeakPolarHBondContact O-CB 3.38Å; N374-Q378 WeakPolarHBondContact O-CG 3.39Å; N374-Q378 PolarHBondContact O-N 2.84Å
375	E	86.3	Confident	80.3	Confident	125 Å²	125	101.5 Å²	101.5	58%	0.584	52%	0.52	S	S	*	.	H	α-helix	trans	-68.2	-44.8	177.5	-173.6	166.7	-153.4	0	0	111.4	R371 L372 A377 Q378 A379	R371-E375 WeakPolarHBondContact O-CB 3.41Å; R371-E375 PolarHBondContact O-N 2.92Å; L372-E375 PolarHBondContact O-N 3.49Å; E375-A377 VanDerWaalsContact C-N 3.33Å; E375-A377 PolarHBondContact O-N 3.01Å; E375-Q378 PolarHBondContact O-N 2.79Å; E375-A379 WeakPolarHBondContact O-CB 2.95Å; E375-A379 PolarHBondContact O-N 3.23Å
376	I	80.3	Confident	79	Confident	118 Å²	118	103.5 Å²	103.5	61%	0.605	52%	0.524	S	S	*	.	H	α-helix	trans	-60.1	-42.7	170.5	-69	164.3	0	0	0	110.7	L372 A379 A380	L372-I376 WeakPolarHBondContact O-CB 3.35Å; L372-I376 WeakPolarHBondContact O-CD1 3.22Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 2.91Å; I376-A379 PolarHBondContact O-N 2.93Å; I376-A380 VanDerWaalsContact O-CB 3.28Å; I376-A380 WeakPolarHBondContact O-CB 2.8Å; I376-A380 PolarHBondContact O-N 3.04Å
377	A	74.7	Confident	77.4	Confident	46 Å²	46	99.5 Å²	99.5	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-36.2	177	0	0	0	0	0	112.8	Q373 N374 E375 K381	Q373-A377 VanDerWaalsContact O-CB 3.27Å; Q373-A377 WeakPolarHBondContact O-CB 3.43Å; Q373-A377 PolarHBondContact O-N 2.85Å; N374-A377 PolarHBondContact O-N 3.02Å; E375-A377 VanDerWaalsContact C-N 3.33Å; E375-A377 PolarHBondContact O-N 3.01Å; A377-K381 WeakPolarHBondContact O-CG 3.46Å; A377-K381 PolarHBondContact O-N 2.89Å
378	Q	79.1	Confident	75.6	Confident	117 Å²	117	101 Å²	101	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-70	-40.6	173.6	-76.3	-177.4	12.2	0	0	111.9	N374 E375 K381 K382	N374-Q378 WeakPolarHBondContact O-CB 3.38Å; N374-Q378 WeakPolarHBondContact O-CG 3.39Å; N374-Q378 PolarHBondContact O-N 2.84Å; E375-Q378 PolarHBondContact O-N 2.79Å; Q378-K381 PolarHBondContact O-N 2.9Å; Q378-K382 WeakPolarHBondContact O-CB 3.49Å; Q378-K382 WeakPolarHBondContact O-CG 3.36Å; Q378-K382 PolarHBondContact O-N 2.92Å
379	A	77.1	Confident	74.3	Confident	52 Å²	52	98.7 Å²	98.7	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-46.6	173.7	0	0	0	0	0	111.2	E375 I376 K381 K382 T383	E375-A379 WeakPolarHBondContact O-CB 2.95Å; E375-A379 PolarHBondContact O-N 3.23Å; I376-A379 PolarHBondContact O-N 2.93Å; A379-K381 VanDerWaalsContact C-N 3.28Å; A379-K381 PolarHBondContact O-N 2.94Å; A379-K382 PolarHBondContact O-N 2.92Å; A379-K382 VanDerWaalsContact O-N 3.12Å; A379-T383 PolarHBondContact O-N 3.01Å; A379-T383 PolarHBondContact O-OG1 3.37Å
380	A	67.5	Low	72.8	Confident	22 Å²	22	96.4 Å²	96.4	18%	0.182	50%	0.502	C	S	.	.	H	α-helix	trans	-68.1	-23.1	178.6	0	0	0	0	0	113.9	I376 T383 Q386	I376-A380 VanDerWaalsContact O-CB 3.28Å; I376-A380 WeakPolarHBondContact O-CB 2.8Å; I376-A380 PolarHBondContact O-N 3.04Å; A380-T383 PolarHBondContact O-OG1 3.05Å; A380-Q386 HydrophobicContact CB-CG 3.62Å; A380-Q386 WeakPolarHBondContact O-CG 3.47Å; A380-Q386 PolarHBondContact O-N 3.17Å
381	K	65.9	Low	71.5	Confident	163 Å²	163	95 Å²	95	71%	0.709	50%	0.496	S	S	*	.	H	α-helix	trans	-72.7	-50.4	165.2	-78	-179.3	176.3	-169.5	0	111.4	A377 Q378 A379 T383 G384	A377-K381 WeakPolarHBondContact O-CG 3.46Å; A377-K381 PolarHBondContact O-N 2.89Å; Q378-K381 PolarHBondContact O-N 2.9Å; A379-K381 VanDerWaalsContact C-N 3.28Å; A379-K381 PolarHBondContact O-N 2.94Å; K381-T383 PolarHBondContact O-N 2.78Å; K381-G384 PolarHBondContact O-N 2.97Å
382	K	72.5	Confident	70.2	Confident	179 Å²	179	88.7 Å²	88.7	78%	0.778	49%	0.486	S	S	*	.	H	α-helix	trans	-60.8	-27.5	-178.6	-75.7	177.1	178.3	-179.6	0	113.8	Q378 A379 G384	Q378-K382 WeakPolarHBondContact O-CB 3.49Å; Q378-K382 WeakPolarHBondContact O-CG 3.36Å; Q378-K382 PolarHBondContact O-N 2.92Å; A379-K382 PolarHBondContact O-N 2.92Å; A379-K382 VanDerWaalsContact O-N 3.12Å; K382-G384 VanDerWaalsContact C-N 3.31Å
383	T	69.6	Low	69	Low	90 Å²	90	91.1 Å²	91.1	55%	0.552	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	0.9	174.8	56	0	0	0	0	114.1	A379 A380 K381 I385	A379-T383 PolarHBondContact O-N 3.01Å; A379-T383 PolarHBondContact O-OG1 3.37Å; A380-T383 PolarHBondContact O-OG1 3.05Å; K381-T383 PolarHBondContact O-N 2.78Å; T383-I385 PolarHBondContact O-N 2.94Å
384	G	58.7	Low	67.9	Low	31 Å²	31	85.7 Å²	85.7	32%	0.32	47%	0.474	S	S	.	.	S	Bend	trans	70.4	-16.8	-179.9	0	0	0	0	0	115.4	K381 K382 Q386 A387 S388	K381-G384 PolarHBondContact O-N 2.97Å; K382-G384 VanDerWaalsContact C-N 3.31Å; G384-Q386 VanDerWaalsContact C-N 3.27Å; G384-Q386 PolarHBondContact O-N 2.69Å; G384-A387 WeakPolarHBondContact O-CB 3.41Å; G384-A387 PolarHBondContact O-N 2.68Å; G384-S388 PolarHBondContact O-N 3.22Å
385	I	65.4	Low	66.3	Low	102 Å²	102	83.8 Å²	83.8	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-53.1	-43.5	-176.4	-59.4	174.2	0	0	0	111.2	T383 A387 S388 T389	T383-I385 PolarHBondContact O-N 2.94Å; I385-A387 VanDerWaalsContact C-N 3.32Å; I385-A387 PolarHBondContact O-N 2.88Å; I385-S388 PolarHBondContact O-N 3.21Å; I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.02Å; I385-T389 PolarHBondContact O-OG1 3.43Å
386	Q	62.7	Low	64.6	Low	111 Å²	111	82.8 Å²	82.8	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-34.2	178.6	-68.4	-69.6	-51.8	0	0	113.2	A380 G384 K390	A380-Q386 HydrophobicContact CB-CG 3.62Å; A380-Q386 WeakPolarHBondContact O-CG 3.47Å; A380-Q386 PolarHBondContact O-N 3.17Å; G384-Q386 VanDerWaalsContact C-N 3.27Å; G384-Q386 PolarHBondContact O-N 2.69Å; Q386-K390 WeakPolarHBondContact O-CB 3.18Å; Q386-K390 PolarHBondContact O-N 3.39Å; Q386-K390 VanDerWaalsContact O-N 3.09Å
387	A	59.4	Low	63	Low	39 Å²	39	84.7 Å²	84.7	32%	0.322	48%	0.48	S	S	.	.	H	α-helix	trans	-70.7	-50.2	175.7	0	0	0	0	0	110.5	G384 I385 T389 K390 L391	G384-A387 WeakPolarHBondContact O-CB 3.41Å; G384-A387 PolarHBondContact O-N 2.68Å; I385-A387 VanDerWaalsContact C-N 3.32Å; I385-A387 PolarHBondContact O-N 2.88Å; A387-T389 PolarHBondContact O-N 3.08Å; A387-K390 PolarHBondContact O-N 3.06Å; A387-K390 VanDerWaalsContact O-N 3.17Å; A387-L391 WeakPolarHBondContact O-CB 2.8Å; A387-L391 WeakPolarHBondContact O-CG 3.24Å; A387-L391 PolarHBondContact O-N 3.08Å
388	S	55.4	Low	61.9	Low	78 Å²	78	90.3 Å²	90.3	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-42.7	179.1	-57.6	0	0	0	0	113	G384 I385 L391 A392	G384-S388 PolarHBondContact O-N 3.22Å; I385-S388 PolarHBondContact O-N 3.21Å; S388-L391 PolarHBondContact O-N 3.16Å; S388-A392 WeakPolarHBondContact O-CB 3.43Å; S388-A392 PolarHBondContact O-N 3.27Å
389	T	61.5	Low	60.3	Low	72 Å²	72	91 Å²	91	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-38.6	174.2	-59.2	0	0	0	0	111.5	I385 A387 A392 L393	I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.02Å; I385-T389 PolarHBondContact O-OG1 3.43Å; A387-T389 PolarHBondContact O-N 3.08Å; T389-A392 PolarHBondContact O-N 2.91Å; T389-L393 HydrophobicContact CG2-CD1 4.15Å; T389-L393 WeakPolarHBondContact O-CG 3.29Å; T389-L393 PolarHBondContact O-N 3.1Å; T389-L393 VanDerWaalsContact O-N 3.11Å
390	K	60.2	Low	58.9	Low	68 Å²	68	94.8 Å²	94.8	30%	0.296	51%	0.511	S	S	.	.	H	α-helix	trans	-70.7	-38.4	177.7	-172	166.7	-173.8	176.2	0	112.1	Q386 A387 L393 I394 E672 V696	Q386-K390 WeakPolarHBondContact O-CB 3.18Å; Q386-K390 PolarHBondContact O-N 3.39Å; Q386-K390 VanDerWaalsContact O-N 3.09Å; A387-K390 PolarHBondContact O-N 3.06Å; A387-K390 VanDerWaalsContact O-N 3.17Å; K390-L393 PolarHBondContact O-N 3.39Å; K390-I394 HydrophobicContact CD-CD1 4.26Å; K390-I394 HydrophobicContact CG-CD1 3.6Å; K390-I394 HydrophobicContact CG-CG1 4.4Å; K390-I394 WeakPolarHBondContact O-CB 3.43Å; K390-I394 WeakPolarHBondContact O-CD1 3.36Å; K390-I394 VanDerWaalsContact O-CG1 3.29Å; K390-I394 WeakPolarHBondContact O-CG1 3.37Å; K390-I394 PolarHBondContact O-N 3.31Å; K390-E672 VanDerWaalsContact CE-OE1 3.22Å; K390-E672 WeakPolarHBondContact CE-OE1 3.45Å; K390-E672 IonicContact NZ-OE1 3.51Å; K390-E672 PolarHBondContact NZ-OE1 2.89Å; K390-E672 IonicContact NZ-OE2 2.92Å; K390-V696 HydrophobicContact CD-CG2 4.05Å; K390-V696 HydrophobicContact CG-CG2 4.32Å
391	L	62.3	Low	58	Low	60 Å²	60	95.8 Å²	95.8	31%	0.314	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-44.1	170.3	-74.6	168.3	0	0	0	111.3	A387 S388 L393 I394 A395 V696 L697	A387-L391 WeakPolarHBondContact O-CB 2.8Å; A387-L391 WeakPolarHBondContact O-CG 3.24Å; A387-L391 PolarHBondContact O-N 3.08Å; S388-L391 PolarHBondContact O-N 3.16Å; L391-L393 PolarHBondContact O-N 3.14Å; L391-I394 PolarHBondContact O-N 3.16Å; L391-I394 VanDerWaalsContact O-N 3.16Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.39Å; L391-A395 PolarHBondContact O-N 3.23Å; L391-V696 HydrophobicContact CD2-CB 4.45Å; L391-V696 HydrophobicContact CD2-CG1 3.71Å; L391-V696 HydrophobicContact CG-CG1 3.92Å; L391-L697 HydrophobicContact CD2-CD2 4.26Å
392	A	60.5	Low	57.3	Low	64 Å²	64	97.5 Å²	97.5	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-18.7	176.4	0	0	0	0	0	114.5	S388 T389	S388-A392 WeakPolarHBondContact O-CB 3.43Å; S388-A392 PolarHBondContact O-N 3.27Å; T389-A392 PolarHBondContact O-N 2.91Å
393	L	63.2	Low	56.4	Low	141 Å²	141	91.7 Å²	91.7	74%	0.738	53%	0.525	S	S	*	.	H	α-helix	trans	-93	-21.2	173.6	-72.4	166.7	0	0	0	113.6	T389 K390 L391	T389-L393 HydrophobicContact CG2-CD1 4.15Å; T389-L393 WeakPolarHBondContact O-CG 3.29Å; T389-L393 PolarHBondContact O-N 3.1Å; T389-L393 VanDerWaalsContact O-N 3.11Å; K390-L393 PolarHBondContact O-N 3.39Å; L391-L393 PolarHBondContact O-N 3.14Å
394	I	59.4	Low	55.9	Low	25 Å²	25	94.1 Å²	94.1	13%	0.128	53%	0.534	C	S	.	.	H	α-helix	trans	-97.8	-36.2	-178.4	-70.9	165.6	0	0	0	112	K390 L391 P396 L692 V696	K390-I394 HydrophobicContact CD-CD1 4.26Å; K390-I394 HydrophobicContact CG-CD1 3.6Å; K390-I394 HydrophobicContact CG-CG1 4.4Å; K390-I394 WeakPolarHBondContact O-CB 3.43Å; K390-I394 WeakPolarHBondContact O-CD1 3.36Å; K390-I394 VanDerWaalsContact O-CG1 3.29Å; K390-I394 WeakPolarHBondContact O-CG1 3.37Å; K390-I394 PolarHBondContact O-N 3.31Å; L391-I394 PolarHBondContact O-N 3.16Å; L391-I394 VanDerWaalsContact O-N 3.16Å; I394-P396 VanDerWaalsContact O-CD 3.32Å; I394-P396 WeakPolarHBondContact O-CD 3.38Å; I394-P396 VanDerWaalsContact O-N 3.07Å; I394-L692 HydrophobicContact CD1-CD1 4.17Å; I394-L692 HydrophobicContact CD1-CD2 4.13Å; I394-L692 HydrophobicContact CD1-CG 3.76Å; I394-L692 HydrophobicContact CG1-CD2 3.89Å; I394-L692 HydrophobicContact CG1-CG 3.99Å; I394-L692 HydrophobicContact CG2-CG 4.39Å; I394-V696 HydrophobicContact CD1-CB 4.07Å; I394-V696 HydrophobicContact CD1-CG1 4.42Å; I394-V696 HydrophobicContact CD1-CG2 3.44Å; I394-V696 VanDerWaalsContact CD1-CG2 3.44Å
395	A	50.5	Low	56.3	Low	57 Å²	57	98.6 Å²	98.6	47%	0.471	56%	0.555	S	S	.	*	S	Bend	trans	-50	119.8	161.9	0	0	0	0	0	106.3	L391 K397	L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.39Å; L391-A395 PolarHBondContact O-N 3.23Å; A395-K397 PolarHBondContact O-N 2.99Å
396	P	50.6	Low	56.7	Low	103 Å²	103	97.8 Å²	97.8	67%	0.669	56%	0.557	S	S	*	*			trans	-65.7	100.1	173.7	27.1	-31.6	0	0	0	105.9	I394 K398	I394-P396 VanDerWaalsContact O-CD 3.32Å; I394-P396 WeakPolarHBondContact O-CD 3.38Å; I394-P396 VanDerWaalsContact O-N 3.07Å; P396-K398 PolarHBondContact O-N 3.39Å
397	K	47.1	Very low	57.3	Low	159 Å²	159	99.7 Å²	99.7	69%	0.691	57%	0.57	S	S	*	*			trans	-56.7	73.1	137.4	-81.9	-173.6	151.5	-141.6	0	107.7	A395 E399	A395-K397 PolarHBondContact O-N 2.99Å; K397-E399 WeakPolarHBondContact CD-OE1 3.15Å; K397-E399 IonicContact NZ-OE1 3.51Å; K397-E399 PolarHBondContact NZ-OE1 2.78Å; K397-E399 PolarHBondContact O-N 2.85Å
398	K	50.3	Low	58.2	Low	163 Å²	163	99.7 Å²	99.7	71%	0.709	56%	0.564	S	S	*	*				-56.8	78.5	120.1	-145.7	-171.3	178.9	-166.2	0	105.3	P396 I400	P396-K398 PolarHBondContact O-N 3.39Å; K398-I400 HydrophobicContact CB-CG1 4.43Å; K398-I400 HydrophobicContact CD-CD1 4.46Å; K398-I400 HydrophobicContact CD-CG1 3.73Å; K398-I400 HydrophobicContact CG-CG1 3.86Å; K398-I400 PolarHBondContact O-N 3.4Å
399	E	46.6	Very low	59.7	Low	133 Å²	133	100.3 Å²	100.3	62%	0.621	56%	0.559	S	S	*	*				-50.4	82.9	121.1	-75.8	160.4	-154.2	0	0	104.7	K397 G401	K397-E399 WeakPolarHBondContact CD-OE1 3.15Å; K397-E399 IonicContact NZ-OE1 3.51Å; K397-E399 PolarHBondContact NZ-OE1 2.78Å; K397-E399 PolarHBondContact O-N 2.85Å; E399-G401 PolarHBondContact O-N 2.97Å
400	I	47.9	Very low	60.8	Low	130 Å²	130	106.9 Å²	106.9	67%	0.667	58%	0.576	S	S	*	*				-45.2	97.9	123.2	-54.8	167.1	0	0	0	100.9	K398	K398-I400 HydrophobicContact CB-CG1 4.43Å; K398-I400 HydrophobicContact CD-CD1 4.46Å; K398-I400 HydrophobicContact CD-CG1 3.73Å; K398-I400 HydrophobicContact CG-CG1 3.86Å; K398-I400 PolarHBondContact O-N 3.4Å
401	G	48.8	Very low	61.9	Low	43 Å²	43	109.5 Å²	109.5	44%	0.443	58%	0.584	S	S	.	*			trans	-59	151.4	-178.9	0	0	0	0	0	107.1	E399 G403	E399-G401 PolarHBondContact O-N 2.97Å; G401-G403 PolarHBondContact O-N 3.38Å
402	E	49.9	Very low	62.8	Low	200 Å²	200	108.8 Å²	108.8	94%	0.935	58%	0.58	S	S	*	*			trans	-69.2	54.4	143.7	-65.1	166.2	128.2	0	0	107.9
403	G	53.5	Low	63.7	Low	57 Å²	57	109.2 Å²	109.2	59%	0.588	58%	0.58	S	S	*	*	S	Bend	trans	-77.3	113.7	143	0	0	0	0	0	103.1	G401 V405	G401-G403 PolarHBondContact O-N 3.38Å; G403-V405 PolarHBondContact O-N 3.42Å
404	D	59	Low	64.5	Low	140 Å²	140	110 Å²	110	75%	0.749	57%	0.574	S	S	*	*			trans	-42.7	128.1	-161.6	-50.2	-81.3	0	0	0	111.3	P406	D404-P406 WeakPolarHBondContact O-CD 3.34Å
405	V	68.1	Low	65.6	Low	125 Å²	125	110.9 Å²	110.9	76%	0.758	58%	0.579	S	S	*	*			trans	-53.1	112.5	172.9	176.4	0	0	0	0	106	G403 N407	G403-V405 PolarHBondContact O-N 3.42Å; V405-N407 PolarHBondContact O-N 3.15Å
406	P	73.9	Confident	66.7	Low	86 Å²	86	110.9 Å²	110.9	56%	0.558	57%	0.57	S	S	*	*			trans	-60.7	129.3	-169.6	-27.2	37	0	0	0	109	D404 I408	D404-P406 WeakPolarHBondContact O-CD 3.34Å; P406-I408 WeakPolarHBondContact CB-O 3.37Å; P406-I408 CarbonylContact O-C 3.51Å; P406-I408 PolarHBondContact O-N 3.21Å
407	N	76.1	Confident	67.3	Low	150 Å²	150	109.9 Å²	109.9	80%	0.802	57%	0.566	S	S	*	*	S	Bend	trans	-54.4	-17	-177.4	-64.9	-18.4	0	0	0	113.5	V405 F419	V405-N407 PolarHBondContact O-N 3.15Å; N407-F419 HydrophobicContact CB-CE1 4.4Å
408	I	78.5	Confident	67.8	Low	39 Å²	39	107 Å²	107	20%	0.2	56%	0.562	C	S	.	*	S	Bend	trans	-139.2	123	174.9	-59.8	-177.6	0	0	0	105.4	P406 D412 L416 F419	P406-I408 WeakPolarHBondContact CB-O 3.37Å; P406-I408 CarbonylContact O-C 3.51Å; P406-I408 PolarHBondContact O-N 3.21Å; I408-D412 HydrophobicContact CG2-CB 3.45Å; I408-D412 VanDerWaalsContact CG2-CB 3.45Å; I408-L416 HydrophobicContact CD1-CD1 4.47Å; I408-L416 HydrophobicContact CG2-CD1 4.38Å; I408-F419 HydrophobicContact CD1-CD1 4.22Å; I408-F419 HydrophobicContact CD1-CD2 4.08Å; I408-F419 HydrophobicContact CD1-CE1 3.9Å; I408-F419 HydrophobicContact CD1-CE2 3.75Å; I408-F419 HydrophobicContact CD1-CG 4.31Å; I408-F419 HydrophobicContact CD1-CZ 3.65Å; I408-F419 HydrophobicContact CG1-CE1 4.31Å; I408-F419 HydrophobicContact CG1-CZ 4.08Å
409	E	86.8	Confident	68	Low	92 Å²	92	106.6 Å²	106.6	43%	0.43	56%	0.56	S	S	.	*			trans	-71.7	163.4	176.2	-76.3	-160.4	-147.3	0	0	111.4	W411 D412 S413	E409-W411 HydrophobicContact CB-CD2 4.4Å; E409-W411 HydrophobicContact CB-CG 4.46Å; E409-W411 HydrophobicContact CB-CZ2 4.1Å; E409-W411 VanDerWaalsContact CB-NE1 3.32Å; E409-W411 HydrophobicContact CG-CZ2 4.42Å; E409-W411 PolarHBondContact O-N 3.19Å; E409-W411 VanDerWaalsContact O-N 3.1Å; E409-W411 PolarHBondContact OE2-NE1 3.1Å; E409-D412 PolarHBondContact O-N 2.96Å; E409-D412 VanDerWaalsContact O-N 3.13Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 3.46Å
410	W	84.3	Confident	68.5	Low	209 Å²	209	106.1 Å²	106.1	79%	0.792	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-26.8	-174.2	64.3	-89.1	0	0	0	113.6	S413	W410-S413 PolarHBondContact O-OG 3.25Å
411	W	83.6	Confident	68.8	Low	123 Å²	123	104.8 Å²	104.8	47%	0.466	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-40.4	176	48.6	-86.4	0	0	0	112.3	E409 S413 Y414	E409-W411 HydrophobicContact CB-CD2 4.4Å; E409-W411 HydrophobicContact CB-CG 4.46Å; E409-W411 HydrophobicContact CB-CZ2 4.1Å; E409-W411 VanDerWaalsContact CB-NE1 3.32Å; E409-W411 HydrophobicContact CG-CZ2 4.42Å; E409-W411 PolarHBondContact O-N 3.19Å; E409-W411 VanDerWaalsContact O-N 3.1Å; E409-W411 PolarHBondContact OE2-NE1 3.1Å; W411-S413 VanDerWaalsContact C-N 3.27Å; W411-S413 PolarHBondContact O-N 2.93Å; W411-Y414 PolarHBondContact O-N 3.01Å
412	D	80.5	Confident	69.3	Low	45 Å²	45	108.5 Å²	108.5	24%	0.241	57%	0.568	C	S	.	*	H	α-helix	trans	-60	-37.8	169.5	-68.7	-59.7	0	0	0	111.8	I408 E409 Y414 I415 L416	I408-D412 HydrophobicContact CG2-CB 3.45Å; I408-D412 VanDerWaalsContact CG2-CB 3.45Å; E409-D412 PolarHBondContact O-N 2.96Å; E409-D412 VanDerWaalsContact O-N 3.13Å; D412-Y414 PolarHBondContact O-N 2.82Å; D412-Y414 VanDerWaalsContact O-N 3.08Å; D412-I415 PolarHBondContact O-N 3.32Å; D412-L416 HydrophobicContact CB-CD1 4.31Å; D412-L416 PolarHBondContact O-N 2.91Å
413	S	80.2	Confident	69.7	Low	74 Å²	74	104.3 Å²	104.3	52%	0.517	55%	0.552	S	S	.	*	H	α-helix	trans	-64.6	-14.7	-175.6	78.3	0	0	0	0	114.6	E409 W410 W411	E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 3.46Å; W410-S413 PolarHBondContact O-OG 3.25Å; W411-S413 VanDerWaalsContact C-N 3.27Å; W411-S413 PolarHBondContact O-N 2.93Å
414	Y	79.9	Confident	69.9	Low	156 Å²	156	108.1 Å²	108.1	61%	0.612	57%	0.569	S	S	*	*	H	α-helix	trans	-85.8	-27.9	172.2	178.8	-106.1	0	0	0	112.7	W411 D412	W411-Y414 PolarHBondContact O-N 3.01Å; D412-Y414 PolarHBondContact O-N 2.82Å; D412-Y414 VanDerWaalsContact O-N 3.08Å
415	I	80.5	Confident	69.7	Low	45 Å²	45	110.4 Å²	110.4	23%	0.231	58%	0.575	C	S	.	*	H	α-helix	trans	-90.8	-40.3	-175.2	-59.4	169.3	0	0	0	110.6	D412 S417 L433 F434 V436	D412-I415 PolarHBondContact O-N 3.32Å; I415-S417 PolarHBondContact O-N 3.14Å; I415-L433 HydrophobicContact CG2-CB 3.97Å; I415-L433 HydrophobicContact CG2-CD2 3.92Å; I415-L433 HydrophobicContact CG2-CG 4.01Å; I415-F434 PolarHBondContact O-N 3.4Å; I415-F434 VanDerWaalsContact O-N 3.14Å; I415-V436 HydrophobicContact CG2-CG2 3.92Å
416	L	74.8	Confident	69.2	Low	56 Å²	56	106.8 Å²	106.8	29%	0.293	56%	0.556	S	S	.	*			trans	-90.7	93.7	-176	-60.9	178.5	0	0	0	111.5	I408 D412 T418	I408-L416 HydrophobicContact CD1-CD1 4.47Å; I408-L416 HydrophobicContact CG2-CD1 4.38Å; D412-L416 HydrophobicContact CB-CD1 4.31Å; D412-L416 PolarHBondContact O-N 2.91Å; L416-T418 VanDerWaalsContact C-N 3.26Å; L416-T418 PolarHBondContact O-N 2.71Å
417	S	62.2	Low	68.5	Low	83 Å²	83	109 Å²	109	58%	0.58	56%	0.557	S	S	*	*			trans	-73	-7.3	-176.6	-70.8	0	0	0	0	115.4	I415 F434	I415-S417 PolarHBondContact O-N 3.14Å; S417-F434 WeakPolarHBondContact OG-CB 3.39Å
418	T	57.6	Low	67.7	Low	99 Å²	99	110.1 Å²	110.1	61%	0.607	55%	0.554	S	S	*	*	S	Bend	trans	-147.8	143.3	174.2	-56.1	0	0	0	0	111.1	L416 M420	L416-T418 VanDerWaalsContact C-N 3.26Å; L416-T418 PolarHBondContact O-N 2.71Å; T418-M420 HydrophobicContact CG2-CE 3.81Å; T418-M420 PolarHBondContact O-N 3Å
419	F	55.8	Low	66.8	Low	153 Å²	153	116.7 Å²	116.7	67%	0.671	58%	0.584	S	S	*	*			trans	-66.2	88.3	168.6	-104.6	-87.6	0	0	0	111	N407 I408	N407-F419 HydrophobicContact CB-CE1 4.4Å; I408-F419 HydrophobicContact CD1-CD1 4.22Å; I408-F419 HydrophobicContact CD1-CD2 4.08Å; I408-F419 HydrophobicContact CD1-CE1 3.9Å; I408-F419 HydrophobicContact CD1-CE2 3.75Å; I408-F419 HydrophobicContact CD1-CG 4.31Å; I408-F419 HydrophobicContact CD1-CZ 3.65Å; I408-F419 HydrophobicContact CG1-CE1 4.31Å; I408-F419 HydrophobicContact CG1-CZ 4.08Å
420	M	56.4	Low	65.4	Low	123 Å²	123	119.8 Å²	119.8	61%	0.606	60%	0.599	S	S	*	*			trans	-102.6	131.9	169	-74.2	-66.9	104.7	0	0	110.1	T418 I422	T418-M420 HydrophobicContact CG2-CE 3.81Å; T418-M420 PolarHBondContact O-N 3Å; M420-I422 PolarHBondContact O-N 3.05Å
421	P	55.4	Low	64.4	Low	102 Å²	102	112.7 Å²	112.7	66%	0.662	57%	0.574	S	S	*	*			trans	-72	112	176.3	29	-32.7	0	0	0	110.1	N423	P421-N423 PolarHBondContact O-N 2.7Å; P421-N423 VanDerWaalsContact O-N 3.13Å
422	I	57.3	Low	63.4	Low	122 Å²	122	114.1 Å²	114.1	63%	0.626	59%	0.59	S	S	*	*			trans	-72.1	105.6	179.5	-55.7	173.6	0	0	0	109.2	M420 F431	M420-I422 PolarHBondContact O-N 3.05Å; I422-F431 HydrophobicContact CG1-CE1 4.33Å; I422-F431 HydrophobicContact CG1-CZ 4.44Å
423	N	59.2	Low	62.8	Low	112 Å²	112	114.5 Å²	114.5	60%	0.599	59%	0.592	S	S	*	*			trans	-89.6	152.3	168.7	-76.2	-35.7	0	0	0	110.2	P421 E425 S426	P421-N423 PolarHBondContact O-N 2.7Å; P421-N423 VanDerWaalsContact O-N 3.13Å; N423-E425 PolarHBondContact O-N 3.23Å; N423-S426 WeakPolarHBondContact O-CB 3.46Å; N423-S426 PolarHBondContact O-N 3.21Å; N423-S426 PolarHBondContact O-OG 3.49Å
424	S	57.8	Low	62.4	Low	136 Å²	136	116.7 Å²	116.7	95%	0.951	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-4.1	-176.3	-49.7	0	0	0	0	115.6
425	E	54.8	Low	62.1	Low	188 Å²	188	111.6 Å²	111.6	88%	0.879	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-7	177.3	-60.7	-174.6	139.5	0	0	113.2	N423 K427	N423-E425 PolarHBondContact O-N 3.23Å; E425-K427 PolarHBondContact O-N 3.4Å
426	S	57.3	Low	62.2	Low	49 Å²	49	113.4 Å²	113.4	34%	0.343	60%	0.601	S	S	.	*			trans	-68.4	124.8	178.9	-63	0	0	0	0	111.2	N423	N423-S426 WeakPolarHBondContact O-CB 3.46Å; N423-S426 PolarHBondContact O-N 3.21Å; N423-S426 PolarHBondContact O-OG 3.49Å
427	K	59.4	Low	62.6	Low	134 Å²	134	115 Å²	115	58%	0.583	61%	0.613	S	S	*	*			trans	-78.8	139.4	-178.2	-68.4	-177.7	-179.8	180	0	111.5	E425 E429 E430 F431	E425-K427 PolarHBondContact O-N 3.4Å; K427-E429 PolarHBondContact O-N 2.89Å; K427-E429 VanDerWaalsContact O-N 3.1Å; K427-E430 HydrophobicContact CB-CB 4.49Å; K427-E430 WeakPolarHBondContact O-CB 3.41Å; K427-E430 PolarHBondContact O-N 3.09Å; K427-F431 WeakPolarHBondContact O-CD2 3.47Å; K427-F431 WeakPolarHBondContact O-CE2 3.37Å
428	F	58.9	Low	63.7	Low	172 Å²	172	118.5 Å²	118.5	75%	0.754	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-57.2	-25.9	175.1	-115.8	-87.8	0	0	0	113.8	E430	F428-E430 PolarHBondContact O-N 3.49Å
429	E	59.2	Low	65.2	Low	178 Å²	178	120.4 Å²	120.4	83%	0.832	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-73.3	-12.4	177.7	-57.9	172.7	141.3	0	0	113.7	K427	K427-E429 PolarHBondContact O-N 2.89Å; K427-E429 VanDerWaalsContact O-N 3.1Å
430	E	57.6	Low	66.8	Low	156 Å²	156	118.9 Å²	118.9	73%	0.729	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-98.7	-1.8	-174.2	-157.5	162.2	-139.4	0	0	112.6	K427 F428	K427-E430 HydrophobicContact CB-CB 4.49Å; K427-E430 WeakPolarHBondContact O-CB 3.41Å; K427-E430 PolarHBondContact O-N 3.09Å; F428-E430 PolarHBondContact O-N 3.49Å
431	F	63.1	Low	68.1	Low	60 Å²	60	121 Å²	121	26%	0.263	64%	0.642	S	S	.	*	S	Bend	trans	-98.8	131.4	176.6	-64.3	-95	0	0	0	110.8	I422 K427 L433	I422-F431 HydrophobicContact CG1-CE1 4.33Å; I422-F431 HydrophobicContact CG1-CZ 4.44Å; K427-F431 WeakPolarHBondContact O-CD2 3.47Å; K427-F431 WeakPolarHBondContact O-CE2 3.37Å; F431-L433 HydrophobicContact CB-CD1 3.54Å; F431-L433 WeakPolarHBondContact O-CD1 3.29Å; F431-L433 PolarHBondContact O-N 3.01Å
432	D	62.9	Low	69.7	Low	153 Å²	153	124 Å²	124	82%	0.818	65%	0.647	S	S	*	*			trans	-86.9	86.9	169.6	-168.2	12	0	0	0	109.3	F434	D432-F434 PolarHBondContact O-N 3.01Å; D432-F434 VanDerWaalsContact O-N 3.14Å
433	L	69.1	Low	71.3	Confident	54 Å²	54	123.5 Å²	123.5	28%	0.283	65%	0.652	S	S	.	*			trans	-75.9	98.1	-177.6	-76.3	85.1	0	0	0	110.6	I415 F431 G435 V436	I415-L433 HydrophobicContact CG2-CB 3.97Å; I415-L433 HydrophobicContact CG2-CD2 3.92Å; I415-L433 HydrophobicContact CG2-CG 4.01Å; F431-L433 HydrophobicContact CB-CD1 3.54Å; F431-L433 WeakPolarHBondContact O-CD1 3.29Å; F431-L433 PolarHBondContact O-N 3.01Å; L433-G435 PolarHBondContact O-N 3.14Å; L433-V436 HydrophobicContact CB-CB 3.88Å; L433-V436 HydrophobicContact CB-CG2 3.9Å; L433-V436 HydrophobicContact CD2-CB 4.41Å; L433-V436 HydrophobicContact CD2-CG2 3.97Å; L433-V436 PolarHBondContact O-N 3.16Å
434	F	70.9	Confident	72.6	Confident	119 Å²	119	122.4 Å²	122.4	52%	0.522	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	132.1	-179.9	-167.8	-99.3	0	0	0	111.4	I415 S417 D432 V436	I415-F434 PolarHBondContact O-N 3.4Å; I415-F434 VanDerWaalsContact O-N 3.14Å; S417-F434 WeakPolarHBondContact OG-CB 3.39Å; D432-F434 PolarHBondContact O-N 3.01Å; D432-F434 VanDerWaalsContact O-N 3.14Å; F434-V436 VanDerWaalsContact C-N 3.26Å; F434-V436 PolarHBondContact O-N 3.09Å
435	G	74.8	Confident	74.1	Confident	49 Å²	49	125.3 Å²	125.3	51%	0.505	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.7	-9.7	-180	0	0	0	0	0	116.1	L433	L433-G435 PolarHBondContact O-N 3.14Å
436	V	81.6	Confident	75.6	Confident	84 Å²	84	123.7 Å²	123.7	51%	0.509	65%	0.653	S	S	.	*			trans	-84.1	121	174.9	179.3	0	0	0	0	109.7	I415 L433 F434	I415-V436 HydrophobicContact CG2-CG2 3.92Å; L433-V436 HydrophobicContact CB-CB 3.88Å; L433-V436 HydrophobicContact CB-CG2 3.9Å; L433-V436 HydrophobicContact CD2-CB 4.41Å; L433-V436 HydrophobicContact CD2-CG2 3.97Å; L433-V436 PolarHBondContact O-N 3.16Å; F434-V436 VanDerWaalsContact C-N 3.26Å; F434-V436 PolarHBondContact O-N 3.09Å
437	T	83.1	Confident	76.7	Confident	90 Å²	90	125.4 Å²	125.4	55%	0.552	67%	0.665	S	S	*	*			trans	-139	175.3	-179.6	68	0	0	0	0	110.9	L439	T437-L439 PolarHBondContact O-N 3.12Å; T437-L439 WeakPolarHBondContact OG1-CB 3.36Å; T437-L439 PolarHBondContact OG1-N 3.14Å
438	N	86.1	Confident	77.9	Confident	156 Å²	156	122.6 Å²	122.6	83%	0.834	66%	0.66	S	S	*	*	S	Bend	trans	-77.3	6.6	172	65.8	-19.4	0	0	0	113.9
439	L	88.8	Confident	78.6	Confident	138 Å²	138	119.5 Å²	119.5	72%	0.723	66%	0.657	S	S	*	*			trans	-89.7	127.3	179	-57.3	178.1	0	0	0	110.7	T437	T437-L439 PolarHBondContact O-N 3.12Å; T437-L439 WeakPolarHBondContact OG1-CB 3.36Å; T437-L439 PolarHBondContact OG1-N 3.14Å
440	V	87.9	Confident	78.9	Confident	121 Å²	121	114.4 Å²	114.4	73%	0.733	64%	0.638	S	S	*	*			trans	-102.2	106.5	177.1	-178.8	0	0	0	0	109.8	H442	V440-H442 PolarHBondContact O-ND1 3.18Å
441	E	84.9	Confident	79.3	Confident	169 Å²	169	112.7 Å²	112.7	79%	0.79	63%	0.634	S	S	*	*			trans	-66.3	134.6	170.7	-172.4	178	173.9	0	0	110.5
442	H	88.8	Confident	79.4	Confident	163 Å²	163	113.1 Å²	113.1	76%	0.755	64%	0.642	S	S	*	*			trans	-95.2	110.8	168.6	-70	58.4	0	0	0	107.7	V440	V440-H442 PolarHBondContact O-ND1 3.18Å
443	P	90.6	Very high	79.4	Confident	112 Å²	112	113.5 Å²	113.5	73%	0.727	64%	0.644	S	S	*	*			trans	-63.1	143.9	-171.6	25.1	-34.6	0	0	0	111.6	Q445	P443-Q445 PolarHBondContact O-N 3.14Å
444	A	87.6	Confident	79.6	Confident	90 Å²	90	118.6 Å²	118.6	74%	0.744	66%	0.664	S	S	*	*			trans	-53.1	122	-174.3	0	0	0	0	0	112.6	I446	A444-I446 PolarHBondContact O-N 3.07Å
445	Q	87.7	Confident	79.8	Confident	196 Å²	196	118.4 Å²	118.4	92%	0.916	67%	0.674	S	S	*	*			trans	-71.4	99.2	-176.4	-172.6	179.6	3.9	0	0	111.6	P443	P443-Q445 PolarHBondContact O-N 3.14Å
446	I	86.5	Confident	80.1	Confident	154 Å²	154	122.3 Å²	122.3	79%	0.79	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-75.5	132.8	173.5	-55.9	174.8	0	0	0	109.4	A444	A444-I446 PolarHBondContact O-N 3.07Å
447	S	81.8	Confident	80.2	Confident	86 Å²	86	124.9 Å²	124.9	60%	0.601	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.1	146.4	175.8	52.3	0	0	0	0	112.2
448	P	82.9	Confident	80.4	Confident	75 Å²	75	127.8 Å²	127.8	49%	0.487	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-60.9	128.6	-179.8	-22.7	33.3	0	0	0	111.6	V450 D451	P448-V450 PolarHBondContact O-N 2.65Å; P448-D451 HydrophobicContact CB-CB 4.3Å; P448-D451 PolarHBondContact O-N 2.86Å
449	P	74.6	Confident	80.6	Confident	106 Å²	106	122.7 Å²	122.7	69%	0.688	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	5.5	-170.2	29	-37	0	0	0	115.2
450	V	65.9	Low	80.9	Confident	72 Å²	72	122.2 Å²	122.2	44%	0.436	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.2	-25.9	-178.3	-177.6	0	0	0	0	112	P448 T452 N561	P448-V450 PolarHBondContact O-N 2.65Å; V450-T452 PolarHBondContact O-N 2.91Å; V450-N561 HydrophobicContact CG1-CB 4.3Å
451	D	65.2	Low	81.2	Confident	119 Å²	119	126.8 Å²	126.8	64%	0.636	71%	0.707	S	S	*	*			trans	-83.8	97.4	177.6	-74.5	-47.4	0	0	0	110	P448	P448-D451 HydrophobicContact CB-CB 4.3Å; P448-D451 PolarHBondContact O-N 2.86Å
452	T	64.9	Low	81.7	Confident	69 Å²	69	122 Å²	122	42%	0.423	69%	0.687	S	S	.	*			trans	-70.9	138.3	168.2	66.6	0	0	0	0	109.6	V450 K454 T560	V450-T452 PolarHBondContact O-N 2.91Å; T452-K454 PolarHBondContact O-N 3Å; T452-T560 HydrophobicContact CG2-CG2 3.98Å
453	D	62.9	Low	82.2	Confident	161 Å²	161	118 Å²	118	86%	0.861	67%	0.674	S	S	*	*	S	Bend	trans	-62.6	6.7	-177.1	-40.6	-83.8	0	0	0	115.6	P455	D453-P455 WeakPolarHBondContact O-CD 3.43Å
454	K	73	Confident	82.5	Confident	162 Å²	162	120.5 Å²	120.5	70%	0.704	67%	0.674	S	S	*	*	S	Bend	trans	-81.5	115.2	177.6	-67.6	167.5	-174.8	164.3	0	108.3	T452 V456	T452-K454 PolarHBondContact O-N 3Å; K454-V456 PolarHBondContact O-N 2.88Å
455	P	76.8	Confident	83	Confident	114 Å²	114	126.6 Å²	126.6	74%	0.74	68%	0.677	S	S	*	*			trans	-58.1	134.4	-177.8	23.2	-33.6	0	0	0	111	D453 T457	D453-P455 WeakPolarHBondContact O-CD 3.43Å; P455-T457 PolarHBondContact O-N 3.42Å
456	V	79.4	Confident	83.5	Confident	131 Å²	131	121.7 Å²	121.7	79%	0.794	66%	0.655	S	S	*	*			trans	-62.4	108.7	-175.1	179.8	0	0	0	0	109.8	K454 L458	K454-V456 PolarHBondContact O-N 2.88Å; V456-L458 PolarHBondContact O-N 3.38Å
457	T	84.5	Confident	84	Confident	138 Å²	138	117.4 Å²	117.4	85%	0.847	63%	0.631	S	S	*	*			trans	-75	95.5	-176.8	44.5	0	0	0	0	111	P455 G459	P455-T457 PolarHBondContact O-N 3.42Å; T457-G459 PolarHBondContact O-N 2.8Å
458	L	88.4	Confident	84.7	Confident	152 Å²	152	119.6 Å²	119.6	80%	0.796	63%	0.63	S	S	*	*			trans	-62.6	126.2	176.3	-62.2	179.9	0	0	0	110.8	V456 V460	V456-L458 PolarHBondContact O-N 3.38Å; L458-V460 PolarHBondContact O-N 3.12Å
459	G	90.5	Very high	85.5	Confident	48 Å²	48	122.7 Å²	122.7	50%	0.495	64%	0.636	S	S	.	*			trans	-68.8	120.1	177.5	0	0	0	0	0	111.5	T457 Y461	T457-G459 PolarHBondContact O-N 2.8Å; G459-Y461 WeakPolarHBondContact O-CD2 3.24Å; G459-Y461 WeakPolarHBondContact O-CE2 3.33Å; G459-Y461 PolarHBondContact O-N 3.32Å
460	V	93.9	Very high	86.5	Confident	128 Å²	128	121.9 Å²	121.9	78%	0.776	63%	0.625	S	S	*	*			trans	-73.6	109.1	179.9	-174.1	0	0	0	0	110.7	L458 L462	L458-V460 PolarHBondContact O-N 3.12Å; V460-L462 HydrophobicContact CG1-CD1 4.07Å
461	Y	94.1	Very high	88.1	Confident	217 Å²	217	126.6 Å²	126.6	85%	0.851	64%	0.635	S	S	*	*			trans	-95.4	110.9	177.9	-63	-79	0	0	0	111.6	G459	G459-Y461 WeakPolarHBondContact O-CD2 3.24Å; G459-Y461 WeakPolarHBondContact O-CE2 3.33Å; G459-Y461 PolarHBondContact O-N 3.32Å
462	L	96.8	Very high	89.6	Confident	69 Å²	69	128.9 Å²	128.9	36%	0.361	64%	0.635	S	S	.	*			trans	-85.7	139.1	175.6	-71.6	77.6	0	0	0	111.2	V460 E466 Q467 L470	V460-L462 HydrophobicContact CG1-CD1 4.07Å; L462-E466 HydrophobicContact CB-CB 4.22Å; L462-E466 HydrophobicContact CD2-CB 4.26Å; L462-Q467 HydrophobicContact CB-CG 3.82Å; L462-Q467 PolarHBondContact O-NE2 2.99Å; L462-L470 HydrophobicContact CD2-CD2 3.95Å
463	T	97.6	Very high	91.1	Very high	78 Å²	78	129 Å²	129	48%	0.479	63%	0.63	S	S	.	*			trans	-65.1	164.5	171.3	70.6	0	0	0	0	112	R465 E466 Q467	T463-R465 PolarHBondContact O-N 2.93Å; T463-R465 PolarHBondContact OG1-N 2.97Å; T463-E466 WeakPolarHBondContact CA-OE2 3.33Å; T463-E466 WeakPolarHBondContact CB-OE2 3.41Å; T463-E466 VanDerWaalsContact CG2-OE2 3.23Å; T463-E466 WeakPolarHBondContact CG2-OE2 3.4Å; T463-E466 PolarHBondContact N-OE2 2.86Å; T463-E466 PolarHBondContact O-N 2.88Å; T463-E466 PolarHBondContact OG1-N 3.46Å; T463-E466 PolarHBondContact OG1-OE2 3.27Å; T463-Q467 WeakPolarHBondContact O-CB 3.42Å; T463-Q467 VanDerWaalsContact O-CG 3.27Å; T463-Q467 WeakPolarHBondContact O-CG 3.17Å; T463-Q467 PolarHBondContact O-N 3.04Å
464	K	98	Very high	92.8	Very high	166 Å²	166	124.9 Å²	124.9	72%	0.722	61%	0.611	S	S	*	*	H	α-helix	trans	-63	-24.9	175.3	-58.2	-56.9	-178.9	-175.3	0	113.3	K468	K464-K468 WeakPolarHBondContact O-CB 2.97Å; K464-K468 PolarHBondContact O-N 3.41Å
465	R	97.8	Very high	93.9	Very high	218 Å²	218	126 Å²	126	82%	0.823	61%	0.611	S	S	*	*	H	α-helix	trans	-71.1	-46.7	174.4	-68.5	178.6	74.5	173.9	1.6	110.6	T463 K468 K469	T463-R465 PolarHBondContact O-N 2.93Å; T463-R465 PolarHBondContact OG1-N 2.97Å; R465-K468 CarbonylContact O-C 3.5Å; R465-K468 WeakPolarHBondContact O-CB 3.23Å; R465-K468 PolarHBondContact O-N 3.37Å; R465-K469 PolarHBondContact O-N 2.86Å
466	E	97.3	Very high	94.9	Very high	93 Å²	93	128.4 Å²	128.4	44%	0.435	61%	0.605	S	S	.	*	H	α-helix	trans	-70.1	-42	179	-65.6	151.2	137.5	0	0	111.9	L462 T463 K468 K469 L470	L462-E466 HydrophobicContact CB-CB 4.22Å; L462-E466 HydrophobicContact CD2-CB 4.26Å; T463-E466 WeakPolarHBondContact CA-OE2 3.33Å; T463-E466 WeakPolarHBondContact CB-OE2 3.41Å; T463-E466 VanDerWaalsContact CG2-OE2 3.23Å; T463-E466 WeakPolarHBondContact CG2-OE2 3.4Å; T463-E466 PolarHBondContact N-OE2 2.86Å; T463-E466 PolarHBondContact O-N 2.88Å; T463-E466 PolarHBondContact OG1-N 3.46Å; T463-E466 PolarHBondContact OG1-OE2 3.27Å; E466-K468 PolarHBondContact O-N 3.49Å; E466-K468 VanDerWaalsContact O-N 3.16Å; E466-K469 WeakPolarHBondContact O-CB 3.22Å; E466-K469 PolarHBondContact O-N 2.8Å; E466-L470 WeakPolarHBondContact O-CB 3.35Å; E466-L470 PolarHBondContact O-N 3.09Å
467	Q	96.9	Very high	95.8	Very high	64 Å²	64	126.7 Å²	126.7	30%	0.299	59%	0.589	S	S	.	*	H	α-helix	trans	-55.1	-34.1	171.2	-70	179.2	25.2	0	0	111.8	L462 T463 R471	L462-Q467 HydrophobicContact CB-CG 3.82Å; L462-Q467 PolarHBondContact O-NE2 2.99Å; T463-Q467 WeakPolarHBondContact O-CB 3.42Å; T463-Q467 VanDerWaalsContact O-CG 3.27Å; T463-Q467 WeakPolarHBondContact O-CG 3.17Å; T463-Q467 PolarHBondContact O-N 3.04Å; Q467-R471 VanDerWaalsContact O-CB 3.25Å; Q467-R471 WeakPolarHBondContact O-CB 3.45Å; Q467-R471 VanDerWaalsContact O-CD 3.28Å; Q467-R471 WeakPolarHBondContact O-CD 3.32Å; Q467-R471 WeakPolarHBondContact O-CG 3.35Å; Q467-R471 PolarHBondContact O-N 2.73Å
468	K	98	Very high	96.4	Very high	132 Å²	132	122.3 Å²	122.3	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-79.3	-32.4	175.5	-171.3	177.6	-179.4	-178.6	0	112.7	K464 R465 E466 R472	K464-K468 WeakPolarHBondContact O-CB 2.97Å; K464-K468 PolarHBondContact O-N 3.41Å; R465-K468 CarbonylContact O-C 3.5Å; R465-K468 WeakPolarHBondContact O-CB 3.23Å; R465-K468 PolarHBondContact O-N 3.37Å; E466-K468 PolarHBondContact O-N 3.49Å; E466-K468 VanDerWaalsContact O-N 3.16Å; K468-R472 WeakPolarHBondContact O-CB 3.33Å; K468-R472 VanDerWaalsContact O-CG 3.27Å; K468-R472 WeakPolarHBondContact O-CG 3.42Å; K468-R472 PolarHBondContact O-N 3.04Å
469	K	98.1	Very high	96.7	Very high	140 Å²	140	121.1 Å²	121.1	61%	0.609	56%	0.557	S	S	*	*	H	α-helix	trans	-67.8	-55.1	174.3	-167.9	-170.3	172.4	-177.8	0	110.6	R465 E466 R471 R472 Q473	R465-K469 PolarHBondContact O-N 2.86Å; E466-K469 WeakPolarHBondContact O-CB 3.22Å; E466-K469 PolarHBondContact O-N 2.8Å; K469-R471 PolarHBondContact O-N 3.13Å; K469-R472 WeakPolarHBondContact O-CA 3.46Å; K469-R472 WeakPolarHBondContact O-CB 3.3Å; K469-R472 PolarHBondContact O-N 2.85Å; K469-Q473 PolarHBondContact O-N 3.04Å
470	L	97.4	Very high	97	Very high	89 Å²	89	124.3 Å²	124.3	47%	0.466	56%	0.557	S	S	.	*	H	α-helix	trans	-56.3	-51.1	177.4	-177.6	63.1	0	0	0	111.6	L462 E466 R472 Q473 T474	L462-L470 HydrophobicContact CD2-CD2 3.95Å; E466-L470 WeakPolarHBondContact O-CB 3.35Å; E466-L470 PolarHBondContact O-N 3.09Å; L470-R472 PolarHBondContact O-N 3.49Å; L470-R472 VanDerWaalsContact O-N 3.08Å; L470-Q473 PolarHBondContact O-N 3.38Å; L470-Q473 VanDerWaalsContact O-N 3.09Å; L470-T474 PolarHBondContact O-N 3.16Å; L470-T474 PolarHBondContact O-OG1 3.48Å; L470-T474 VanDerWaalsContact O-OG1 3.12Å
471	R	97.8	Very high	97.1	Very high	171 Å²	171	122.8 Å²	122.8	65%	0.645	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-19.3	176	-72.9	173.2	-172.1	-94.6	4.2	114.3	Q467 K469 R475	Q467-R471 VanDerWaalsContact O-CB 3.25Å; Q467-R471 WeakPolarHBondContact O-CB 3.45Å; Q467-R471 VanDerWaalsContact O-CD 3.28Å; Q467-R471 WeakPolarHBondContact O-CD 3.32Å; Q467-R471 WeakPolarHBondContact O-CG 3.35Å; Q467-R471 PolarHBondContact O-N 2.73Å; K469-R471 PolarHBondContact O-N 3.13Å; R471-R475 WeakPolarHBondContact O-CB 3.35Å; R471-R475 VanDerWaalsContact O-CD 3.26Å; R471-R475 WeakPolarHBondContact O-CD 3.45Å; R471-R475 WeakPolarHBondContact O-CG 3.48Å
472	R	97.3	Very high	97.1	Very high	166 Å²	166	115.7 Å²	115.7	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-87	-39.2	173.1	-79.6	175.6	168	-152.1	-7.1	111.8	K468 K469 L470 R476	K468-R472 WeakPolarHBondContact O-CB 3.33Å; K468-R472 VanDerWaalsContact O-CG 3.27Å; K468-R472 WeakPolarHBondContact O-CG 3.42Å; K468-R472 PolarHBondContact O-N 3.04Å; K469-R472 WeakPolarHBondContact O-CA 3.46Å; K469-R472 WeakPolarHBondContact O-CB 3.3Å; K469-R472 PolarHBondContact O-N 2.85Å; L470-R472 PolarHBondContact O-N 3.49Å; L470-R472 VanDerWaalsContact O-N 3.08Å; R472-R476 WeakPolarHBondContact O-CB 3.33Å; R472-R476 PolarHBondContact O-N 3.21Å
473	Q	97.1	Very high	97	Very high	72 Å²	72	118.1 Å²	118.1	34%	0.336	53%	0.53	S	S	.	.	H	α-helix	trans	-60.6	-60.3	173.2	-76.7	179.6	-92.5	0	0	110.7	K469 L470 R475 R476 E477	K469-Q473 PolarHBondContact O-N 3.04Å; L470-Q473 PolarHBondContact O-N 3.38Å; L470-Q473 VanDerWaalsContact O-N 3.09Å; Q473-R475 PolarHBondContact O-N 2.91Å; Q473-R476 CarbonylContact O-C 3.54Å; Q473-R476 WeakPolarHBondContact O-CA 3.03Å; Q473-R476 WeakPolarHBondContact O-CB 3.14Å; Q473-R476 PolarHBondContact O-N 3.41Å; Q473-E477 VanDerWaalsContact C-OE2 3.26Å; Q473-E477 WeakPolarHBondContact CA-OE1 3.44Å; Q473-E477 VanDerWaalsContact CB-OE1 3.28Å; Q473-E477 WeakPolarHBondContact CB-OE1 3.39Å; Q473-E477 PolarHBondContact O-N 3.03Å
474	T	97.8	Very high	96.9	Very high	74 Å²	74	117.7 Å²	117.7	45%	0.454	52%	0.522	S	S	.	.	H	α-helix	trans	-57.7	-30.1	179.8	-44.1	0	0	0	0	113.6	L470 E477 A478	L470-T474 PolarHBondContact O-N 3.16Å; L470-T474 PolarHBondContact O-OG1 3.48Å; L470-T474 VanDerWaalsContact O-OG1 3.12Å; T474-E477 VanDerWaalsContact CA-OE2 3.22Å; T474-E477 WeakPolarHBondContact CA-OE2 3.35Å; T474-E477 PolarHBondContact N-OE2 3.11Å; T474-A478 VanDerWaalsContact O-CB 3.3Å; T474-A478 WeakPolarHBondContact O-CB 3.18Å; T474-A478 PolarHBondContact O-N 3.17Å
475	R	97.6	Very high	96.9	Very high	185 Å²	185	113.2 Å²	113.2	70%	0.698	50%	0.503	S	S	*	.	H	α-helix	trans	-72.5	-40.3	172.7	-80.4	179.8	177.2	-168.6	-2.8	112.8	R471 Q473 Q479	R471-R475 WeakPolarHBondContact O-CB 3.35Å; R471-R475 VanDerWaalsContact O-CD 3.26Å; R471-R475 WeakPolarHBondContact O-CD 3.45Å; R471-R475 WeakPolarHBondContact O-CG 3.48Å; Q473-R475 PolarHBondContact O-N 2.91Å; R475-Q479 WeakPolarHBondContact O-CB 3.37Å; R475-Q479 VanDerWaalsContact O-CG 3.23Å; R475-Q479 WeakPolarHBondContact O-CG 3.18Å; R475-Q479 PolarHBondContact O-N 2.96Å; R475-Q479 PolarHBondContact O-OE1 3.36Å
476	R	97.7	Very high	96.7	Very high	165 Å²	165	104.9 Å²	104.9	62%	0.623	48%	0.476	S	S	*	.	H	α-helix	trans	-67	-43.5	175.5	-172.9	-165.5	-66.6	139.7	-11.7	110.8	R472 Q473 Q479 K480	R472-R476 WeakPolarHBondContact O-CB 3.33Å; R472-R476 PolarHBondContact O-N 3.21Å; Q473-R476 CarbonylContact O-C 3.54Å; Q473-R476 WeakPolarHBondContact O-CA 3.03Å; Q473-R476 WeakPolarHBondContact O-CB 3.14Å; Q473-R476 PolarHBondContact O-N 3.41Å; R476-Q479 PolarHBondContact O-N 3.33Å; R476-K480 WeakPolarHBondContact O-CB 3.47Å; R476-K480 PolarHBondContact O-N 2.85Å
477	E	97.8	Very high	96.6	Very high	96 Å²	96	109.3 Å²	109.3	45%	0.449	49%	0.489	S	S	.	.	H	α-helix	trans	-58.6	-53	174.9	-74.9	126.5	-137.5	0	0	111.1	Q473 T474 Q479 K480 E481	Q473-E477 VanDerWaalsContact C-OE2 3.26Å; Q473-E477 WeakPolarHBondContact CA-OE1 3.44Å; Q473-E477 VanDerWaalsContact CB-OE1 3.28Å; Q473-E477 WeakPolarHBondContact CB-OE1 3.39Å; Q473-E477 PolarHBondContact O-N 3.03Å; T474-E477 VanDerWaalsContact CA-OE2 3.22Å; T474-E477 WeakPolarHBondContact CA-OE2 3.35Å; T474-E477 PolarHBondContact N-OE2 3.11Å; E477-Q479 VanDerWaalsContact C-N 3.29Å; E477-Q479 PolarHBondContact O-N 3.41Å; E477-K480 WeakPolarHBondContact O-CB 3.29Å; E477-K480 PolarHBondContact O-N 3.28Å; E477-K480 VanDerWaalsContact O-N 3.11Å; E477-E481 WeakPolarHBondContact O-CB 3.4Å; E477-E481 PolarHBondContact O-N 3.21Å
478	A	96.1	Very high	96.6	Very high	46 Å²	46	112.3 Å²	112.3	38%	0.38	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-32.2	177	0	0	0	0	0	113.5	T474 V482	T474-A478 VanDerWaalsContact O-CB 3.3Å; T474-A478 WeakPolarHBondContact O-CB 3.18Å; T474-A478 PolarHBondContact O-N 3.17Å; A478-V482 VanDerWaalsContact O-CG2 3.31Å; A478-V482 WeakPolarHBondContact O-CG2 3.41Å; A478-V482 PolarHBondContact O-N 3.4Å; A478-V482 VanDerWaalsContact O-N 3.11Å
479	Q	95.2	Very high	96.4	Very high	127 Å²	127	109 Å²	109	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-70.3	-39.7	172.9	-78	176.3	-40.4	0	0	112.3	R475 R476 E477 V482 Q483	R475-Q479 WeakPolarHBondContact O-CB 3.37Å; R475-Q479 VanDerWaalsContact O-CG 3.23Å; R475-Q479 WeakPolarHBondContact O-CG 3.18Å; R475-Q479 PolarHBondContact O-N 2.96Å; R475-Q479 PolarHBondContact O-OE1 3.36Å; R476-Q479 PolarHBondContact O-N 3.33Å; E477-Q479 VanDerWaalsContact C-N 3.29Å; E477-Q479 PolarHBondContact O-N 3.41Å; Q479-V482 PolarHBondContact O-N 2.97Å; Q479-Q483 WeakPolarHBondContact O-CB 3.31Å; Q479-Q483 VanDerWaalsContact O-CG 3.29Å; Q479-Q483 WeakPolarHBondContact O-CG 3.28Å; Q479-Q483 PolarHBondContact O-N 2.89Å
480	K	97	Very high	96.2	Very high	115 Å²	115	108.6 Å²	108.6	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-44.9	175.3	-176.4	176.4	179.2	-71.2	0	110.9	R476 E477 V482 Q483 E484	R476-K480 WeakPolarHBondContact O-CB 3.47Å; R476-K480 PolarHBondContact O-N 2.85Å; E477-K480 WeakPolarHBondContact O-CB 3.29Å; E477-K480 PolarHBondContact O-N 3.28Å; E477-K480 VanDerWaalsContact O-N 3.11Å; K480-V482 PolarHBondContact O-N 2.92Å; K480-Q483 CarbonylContact O-C 3.52Å; K480-Q483 PolarHBondContact O-N 3.25Å; K480-E484 VanDerWaalsContact CE-OE1 3.25Å; K480-E484 WeakPolarHBondContact CE-OE1 3.36Å; K480-E484 WeakPolarHBondContact CG-OE1 3.39Å; K480-E484 IonicContact NZ-OE1 3.63Å; K480-E484 PolarHBondContact NZ-OE1 3.45Å; K480-E484 IonicContact NZ-OE2 3.07Å; K480-E484 PolarHBondContact NZ-OE2 2.99Å; K480-E484 WeakPolarHBondContact O-CB 3.29Å; K480-E484 WeakPolarHBondContact O-CG 3.34Å; K480-E484 PolarHBondContact O-N 2.82Å
481	E	95.8	Very high	95.8	Very high	95 Å²	95	107.4 Å²	107.4	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-58.5	-43.8	175.2	-172.5	-165.6	169.6	0	0	112.1	E477 E484 K485	E477-E481 WeakPolarHBondContact O-CB 3.4Å; E477-E481 PolarHBondContact O-N 3.21Å; E481-E484 PolarHBondContact O-N 3.45Å; E481-K485 HydrophobicContact CG-CD 4.46Å; E481-K485 WeakPolarHBondContact O-CG 3.28Å; E481-K485 PolarHBondContact O-N 2.96Å; E481-K485 WeakPolarHBondContact OE1-CE 3.01Å; E481-K485 IonicContact OE1-NZ 2.75Å; E481-K485 PolarHBondContact OE1-NZ 3.31Å
482	V	94.4	Very high	95.5	Very high	69 Å²	69	104.6 Å²	104.6	42%	0.418	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-44.3	174.4	166.7	0	0	0	0	111.3	A478 Q479 K480 E484 K485 V486 M491	A478-V482 VanDerWaalsContact O-CG2 3.31Å; A478-V482 WeakPolarHBondContact O-CG2 3.41Å; A478-V482 PolarHBondContact O-N 3.4Å; A478-V482 VanDerWaalsContact O-N 3.11Å; Q479-V482 PolarHBondContact O-N 2.97Å; K480-V482 PolarHBondContact O-N 2.92Å; V482-E484 VanDerWaalsContact C-N 3.29Å; V482-E484 PolarHBondContact O-N 3.03Å; V482-K485 PolarHBondContact O-N 3.2Å; V482-V486 WeakPolarHBondContact O-CG2 3.46Å; V482-V486 PolarHBondContact O-N 3.44Å; V482-M491 HydrophobicContact CG1-SD 4.05Å
483	Q	94.3	Very high	95.2	Very high	120 Å²	120	101.5 Å²	101.5	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-34.9	175.9	-73.7	172.4	1.9	0	0	112.5	Q479 K480 R487	Q479-Q483 WeakPolarHBondContact O-CB 3.31Å; Q479-Q483 VanDerWaalsContact O-CG 3.29Å; Q479-Q483 WeakPolarHBondContact O-CG 3.28Å; Q479-Q483 PolarHBondContact O-N 2.89Å; K480-Q483 CarbonylContact O-C 3.52Å; K480-Q483 PolarHBondContact O-N 3.25Å; Q483-R487 WeakPolarHBondContact O-CB 3.15Å; Q483-R487 PolarHBondContact O-N 3.16Å
484	E	96	Very high	94.7	Very high	68 Å²	68	103.4 Å²	103.4	32%	0.318	53%	0.53	S	S	.	.	H	α-helix	trans	-72	-41.1	177.1	-76.3	166.4	171.6	0	0	111.5	K480 E481 V482 V486 R487 L488	K480-E484 VanDerWaalsContact CE-OE1 3.25Å; K480-E484 WeakPolarHBondContact CE-OE1 3.36Å; K480-E484 WeakPolarHBondContact CG-OE1 3.39Å; K480-E484 IonicContact NZ-OE1 3.63Å; K480-E484 PolarHBondContact NZ-OE1 3.45Å; K480-E484 IonicContact NZ-OE2 3.07Å; K480-E484 PolarHBondContact NZ-OE2 2.99Å; K480-E484 WeakPolarHBondContact O-CB 3.29Å; K480-E484 WeakPolarHBondContact O-CG 3.34Å; K480-E484 PolarHBondContact O-N 2.82Å; E481-E484 PolarHBondContact O-N 3.45Å; V482-E484 VanDerWaalsContact C-N 3.29Å; V482-E484 PolarHBondContact O-N 3.03Å; E484-V486 VanDerWaalsContact C-N 3.34Å; E484-V486 PolarHBondContact O-N 2.95Å; E484-R487 PolarHBondContact O-N 3.07Å; E484-L488 WeakPolarHBondContact O-CB 3.24Å; E484-L488 VanDerWaalsContact O-CG 3.25Å; E484-L488 WeakPolarHBondContact O-CG 3.13Å; E484-L488 PolarHBondContact O-N 3.16Å
485	K	96.5	Very high	94	Very high	73 Å²	73	104.3 Å²	104.3	32%	0.317	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-33.3	172.6	-69.7	174.5	-172.9	175	0	113	E481 V482 G489 L490 M491	E481-K485 HydrophobicContact CG-CD 4.46Å; E481-K485 WeakPolarHBondContact O-CG 3.28Å; E481-K485 PolarHBondContact O-N 2.96Å; E481-K485 WeakPolarHBondContact OE1-CE 3.01Å; E481-K485 IonicContact OE1-NZ 2.75Å; E481-K485 PolarHBondContact OE1-NZ 3.31Å; V482-K485 PolarHBondContact O-N 3.2Å; K485-G489 PolarHBondContact O-N 3.38Å; K485-L490 HydrophobicContact CB-CB 4.4Å; K485-L490 PolarHBondContact O-N 3.03Å; K485-M491 HydrophobicContact CB-CE 3.77Å; K485-M491 HydrophobicContact CB-CG 3.79Å; K485-M491 HydrophobicContact CB-SD 3.83Å; K485-M491 HydrophobicContact CD-CE 3.7Å; K485-M491 HydrophobicContact CG-CE 4.37Å; K485-M491 PolarHBondContact O-N 3.21Å
486	V	95.4	Very high	93.4	Very high	42 Å²	42	100 Å²	100	26%	0.255	53%	0.525	S	S	.	.	H	α-helix	trans	-67.8	-45.9	169.7	173.4	0	0	0	0	110.9	V482 E484 L488 G489 M491 P493	V482-V486 WeakPolarHBondContact O-CG2 3.46Å; V482-V486 PolarHBondContact O-N 3.44Å; E484-V486 VanDerWaalsContact C-N 3.34Å; E484-V486 PolarHBondContact O-N 2.95Å; V486-L488 VanDerWaalsContact C-N 3.27Å; V486-L488 PolarHBondContact O-N 2.78Å; V486-G489 PolarHBondContact O-N 3.18Å; V486-M491 HydrophobicContact CG2-CG 3.69Å; V486-M491 HydrophobicContact CG2-SD 4.09Å; V486-P493 HydrophobicContact CG1-CB 4.49Å; V486-P493 HydrophobicContact CG1-CG 4Å
487	R	94.7	Very high	92.9	Very high	186 Å²	186	99.9 Å²	99.9	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-61.5	-33.6	178.8	-176.5	-179.6	-67.4	114.3	0.2	112.8	Q483 E484 G489	Q483-R487 WeakPolarHBondContact O-CB 3.15Å; Q483-R487 PolarHBondContact O-N 3.16Å; E484-R487 PolarHBondContact O-N 3.07Å; R487-G489 VanDerWaalsContact C-N 3.31Å
488	L	96.5	Very high	92.4	Very high	127 Å²	127	95.6 Å²	95.6	67%	0.665	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.2	175.5	-65.5	168.1	0	0	0	113.5	E484 V486 L490	E484-L488 WeakPolarHBondContact O-CB 3.24Å; E484-L488 VanDerWaalsContact O-CG 3.25Å; E484-L488 WeakPolarHBondContact O-CG 3.13Å; E484-L488 PolarHBondContact O-N 3.16Å; V486-L488 VanDerWaalsContact C-N 3.27Å; V486-L488 PolarHBondContact O-N 2.78Å; L488-L490 HydrophobicContact CB-CD1 3.77Å; L488-L490 WeakPolarHBondContact O-CD1 3.44Å; L488-L490 PolarHBondContact O-N 3.06Å
489	G	93.2	Very high	92	Very high	62 Å²	62	99.9 Å²	99.9	64%	0.639	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-0.8	-179.2	0	0	0	0	0	115.9	K485 V486 R487 M491	K485-G489 PolarHBondContact O-N 3.38Å; V486-G489 PolarHBondContact O-N 3.18Å; R487-G489 VanDerWaalsContact C-N 3.31Å; G489-M491 PolarHBondContact O-N 2.93Å
490	L	93.9	Very high	91.6	Very high	133 Å²	133	97.7 Å²	97.7	70%	0.696	51%	0.507	S	S	*	.	S	Bend	trans	-66.2	-17	179.9	-88.8	73.7	0	0	0	113.7	K485 L488	K485-L490 HydrophobicContact CB-CB 4.4Å; K485-L490 PolarHBondContact O-N 3.03Å; L488-L490 HydrophobicContact CB-CD1 3.77Å; L488-L490 WeakPolarHBondContact O-CD1 3.44Å; L488-L490 PolarHBondContact O-N 3.06Å
491	M	90	Very high	91.1	Very high	63 Å²	63	96.1 Å²	96.1	31%	0.31	51%	0.511	S	S	.	.	S	Bend	trans	-143.9	137.7	170.5	56.9	178.6	54.5	0	0	111.1	V482 K485 V486 G489	V482-M491 HydrophobicContact CG1-SD 4.05Å; K485-M491 HydrophobicContact CB-CE 3.77Å; K485-M491 HydrophobicContact CB-CG 3.79Å; K485-M491 HydrophobicContact CB-SD 3.83Å; K485-M491 HydrophobicContact CD-CE 3.7Å; K485-M491 HydrophobicContact CG-CE 4.37Å; K485-M491 PolarHBondContact O-N 3.21Å; V486-M491 HydrophobicContact CG2-CG 3.69Å; V486-M491 HydrophobicContact CG2-SD 4.09Å; G489-M491 PolarHBondContact O-N 2.93Å
492	P	90.6	Very high	90.6	Very high	113 Å²	113	94.7 Å²	94.7	73%	0.734	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-58.5	149.3	170.9	-24.8	34.7	0	0	0	112.1
493	P	91.4	Very high	90.1	Very high	101 Å²	101	92.2 Å²	92.2	66%	0.656	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-54.2	136.8	170.1	-24.8	33.9	0	0	0	111.6	V486 E495	V486-P493 HydrophobicContact CG1-CB 4.49Å; V486-P493 HydrophobicContact CG1-CG 4Å; P493-E495 PolarHBondContact O-N 2.82Å
494	P	87.1	Confident	89.5	Confident	111 Å²	111	92.2 Å²	92.2	72%	0.721	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-69.2	129.3	-176.7	26.8	-34.2	0	0	0	112.2
495	E	83.9	Confident	89	Confident	94 Å²	94	99.9 Å²	99.9	44%	0.439	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-50.3	137.2	-179.2	-60.3	166.8	-142.7	0	0	113.2	P493 Q525 K528	P493-E495 PolarHBondContact O-N 2.82Å; E495-Q525 WeakPolarHBondContact OE2-CG 3.08Å; E495-Q525 PolarHBondContact OE2-NE2 3.39Å; E495-K528 IonicContact OE1-NZ 3.75Å; E495-K528 PolarHBondContact OE1-NZ 3.17Å
496	P	84.6	Confident	88.3	Confident	94 Å²	94	99.9 Å²	99.9	61%	0.61	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60	143.2	-178.2	25.4	-34.7	0	0	0	112.1	V498 R529	P496-V498 VanDerWaalsContact C-N 3.3Å; P496-V498 PolarHBondContact O-N 3.47Å; P496-R529 PolarHBondContact O-NH2 2.91Å
497	K	87	Confident	87.6	Confident	162 Å²	162	99.6 Å²	99.6	70%	0.704	52%	0.521	S	S	*	.			trans	-79.5	71.8	-172.1	-163.7	-175.5	176.6	177.6	0	113.4
498	V	86.9	Confident	86.8	Confident	6 Å²	6	92 Å²	92	4%	0.036	50%	0.5	C	S	.	.			trans	-64.5	142.5	169.6	-154.5	0	0	0	0	110.4	P496 V506 V522 R529	P496-V498 VanDerWaalsContact C-N 3.3Å; P496-V498 PolarHBondContact O-N 3.47Å; V498-V506 HydrophobicContact CG1-CB 4.45Å; V498-V506 HydrophobicContact CG2-CG1 4.14Å; V498-V522 HydrophobicContact CB-CG1 4.19Å; V498-V522 HydrophobicContact CB-CG2 3.91Å; V498-V522 HydrophobicContact CG1-CB 4.46Å; V498-V522 HydrophobicContact CG1-CG1 3.97Å; V498-V522 HydrophobicContact CG1-CG2 3.55Å; V498-R529 PolarHBondContact O-NH1 2.98Å
499	R	87.1	Confident	86.1	Confident	137 Å²	137	91.5 Å²	91.5	52%	0.517	50%	0.503	S	S	.	.			trans	-131.9	157.4	169.7	-63.1	178	71.1	-169.4	0.2	106.7	S501 N502 L503	R499-S501 WeakPolarHBondContact CB-OG 3.49Å; R499-S501 PolarHBondContact O-N 3.26Å; R499-N502 HydrophobicContact CB-CB 4.43Å; R499-N502 CarbonylContact O-C 3.57Å; R499-N502 WeakPolarHBondContact O-CA 3.38Å; R499-N502 PolarHBondContact O-N 3.43Å; R499-L503 PolarHBondContact O-N 2.65Å
500	I	86.4	Confident	85.4	Confident	80 Å²	80	93.6 Å²	93.6	41%	0.41	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-53.3	-41.8	173.2	-59.8	167.6	0	0	0	110.9	N502 L503 V522 R523 M526	I500-N502 PolarHBondContact O-N 2.98Å; I500-N502 VanDerWaalsContact O-N 3.08Å; I500-L503 VanDerWaalsContact O-CB 3.29Å; I500-L503 WeakPolarHBondContact O-CB 3.46Å; I500-L503 PolarHBondContact O-N 2.83Å; I500-V522 HydrophobicContact CG1-CG1 4.39Å; I500-R523 HydrophobicContact CD1-CG 4.31Å; I500-M526 HydrophobicContact CD1-SD 4.4Å; I500-M526 HydrophobicContact CG1-SD 4.08Å
501	S	86.8	Confident	84.7	Confident	83 Å²	83	87.4 Å²	87.4	58%	0.58	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.2	-17.1	174.1	59.8	0	0	0	0	115.8	R499	R499-S501 WeakPolarHBondContact CB-OG 3.49Å; R499-S501 PolarHBondContact O-N 3.26Å
502	N	85.6	Confident	84.3	Confident	64 Å²	64	90.1 Å²	90.1	34%	0.342	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-115.7	-3.4	-176.8	-68.3	58.6	0	0	0	111.9	R499 I500 M504 R505 V506	R499-N502 HydrophobicContact CB-CB 4.43Å; R499-N502 CarbonylContact O-C 3.57Å; R499-N502 WeakPolarHBondContact O-CA 3.38Å; R499-N502 PolarHBondContact O-N 3.43Å; I500-N502 PolarHBondContact O-N 2.98Å; I500-N502 VanDerWaalsContact O-N 3.08Å; N502-M504 PolarHBondContact O-N 3.24Å; N502-R505 PolarHBondContact O-N 3.38Å; N502-V506 HydrophobicContact CB-CG2 4.27Å; N502-V506 WeakPolarHBondContact O-CG2 3.37Å; N502-V506 PolarHBondContact O-N 2.9Å; N502-V506 VanDerWaalsContact O-N 3.08Å
503	L	83.6	Confident	84.1	Confident	17 Å²	17	92.3 Å²	92.3	9%	0.089	48%	0.484	C	S	.	.	H	α-helix	trans	-51.2	-59.1	-173.8	-179.8	69.7	0	0	0	111.5	R499 I500 R505 V506 L507 V518 E519 V522	R499-L503 PolarHBondContact O-N 2.65Å; I500-L503 VanDerWaalsContact O-CB 3.29Å; I500-L503 WeakPolarHBondContact O-CB 3.46Å; I500-L503 PolarHBondContact O-N 2.83Å; L503-R505 PolarHBondContact O-N 2.91Å; L503-R505 VanDerWaalsContact O-N 3.12Å; L503-V506 PolarHBondContact O-N 3.47Å; L503-V506 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD1-CD1 4.35Å; L503-L507 PolarHBondContact O-N 3.14Å; L503-V518 HydrophobicContact CD1-CB 4.08Å; L503-V518 HydrophobicContact CD1-CG2 3.89Å; L503-V518 HydrophobicContact CD2-CG2 4.21Å; L503-V518 HydrophobicContact CG-CG2 4.33Å; L503-E519 HydrophobicContact CD2-CB 4.4Å; L503-E519 HydrophobicContact CD2-CG 4.31Å; L503-V522 HydrophobicContact CD1-CB 4.23Å; L503-V522 HydrophobicContact CD1-CG2 3.66Å
504	M	82.1	Confident	83.9	Confident	121 Å²	121	91 Å²	91	60%	0.596	47%	0.472	S	S	*	.	H	α-helix	trans	-61.1	-21.7	-179.7	-57.8	-92.7	75.3	0	0	113.9	N502 G508 A511	N502-M504 PolarHBondContact O-N 3.24Å; M504-G508 WeakPolarHBondContact O-CA 3.45Å; M504-A511 HydrophobicContact CE-CB 3.37Å
505	R	85	Confident	83.8	Confident	228 Å²	228	89.4 Å²	89.4	86%	0.86	46%	0.461	S	S	*	.	H	α-helix	trans	-93.3	-16.2	179.3	-69.1	-170.1	178.8	-141.6	0.6	114.1	N502 L503	N502-R505 PolarHBondContact O-N 3.38Å; L503-R505 PolarHBondContact O-N 2.91Å; L503-R505 VanDerWaalsContact O-N 3.12Å
506	V	81.9	Confident	84.1	Confident	74 Å²	74	90.4 Å²	90.4	45%	0.448	47%	0.474	S	S	.	.	H	α-helix	trans	-113.7	-33.9	-174	178.2	0	0	0	0	111.9	V498 N502 L503	V498-V506 HydrophobicContact CG1-CB 4.45Å; V498-V506 HydrophobicContact CG2-CG1 4.14Å; N502-V506 HydrophobicContact CB-CG2 4.27Å; N502-V506 WeakPolarHBondContact O-CG2 3.37Å; N502-V506 PolarHBondContact O-N 2.9Å; N502-V506 VanDerWaalsContact O-N 3.08Å; L503-V506 PolarHBondContact O-N 3.47Å; L503-V506 VanDerWaalsContact O-N 3.12Å
507	L	80.8	Confident	84.3	Confident	36 Å²	36	92.6 Å²	92.6	19%	0.188	47%	0.474	C	S	.	.	S	Bend	trans	-124.2	28.4	-179.7	-59.3	176.1	0	0	0	111.2	L503 T509 E510 A511 V522	L503-L507 HydrophobicContact CD1-CD1 4.35Å; L503-L507 PolarHBondContact O-N 3.14Å; L507-T509 VanDerWaalsContact C-N 3.28Å; L507-T509 PolarHBondContact O-N 3.41Å; L507-T509 VanDerWaalsContact O-N 3.14Å; L507-E510 PolarHBondContact O-N 3.22Å; L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 3.46Å; L507-V522 HydrophobicContact CD1-CG2 4.18Å
508	G	78.3	Confident	84.3	Confident	25 Å²	25	85.4 Å²	85.4	26%	0.258	44%	0.444	S	S	.	.	H	α-helix	trans	-54.3	-37.5	-167.5	0	0	0	0	0	115.1	M504 V512	M504-G508 WeakPolarHBondContact O-CA 3.45Å; G508-V512 VanDerWaalsContact O-CG2 3.31Å; G508-V512 WeakPolarHBondContact O-CG2 3.5Å; G508-V512 PolarHBondContact O-N 3.08Å
509	T	81.5	Confident	84.3	Confident	117 Å²	117	87.6 Å²	87.6	72%	0.718	45%	0.453	S	S	*	.	H	α-helix	trans	-68.8	-49.3	177.2	43.2	0	0	0	0	112.8	L507 A511 V512	L507-T509 VanDerWaalsContact C-N 3.28Å; L507-T509 PolarHBondContact O-N 3.41Å; L507-T509 VanDerWaalsContact O-N 3.14Å; T509-A511 VanDerWaalsContact C-N 3.31Å; T509-A511 PolarHBondContact O-N 3.5Å; T509-V512 PolarHBondContact O-N 3.12Å
510	E	78.6	Confident	84.5	Confident	106 Å²	106	83.7 Å²	83.7	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-66.6	-34.5	176.5	-60.8	178.6	175	0	0	111.8	L507 V512 Q513 D514 V518	L507-E510 PolarHBondContact O-N 3.22Å; E510-V512 VanDerWaalsContact C-N 3.31Å; E510-V512 PolarHBondContact O-N 2.91Å; E510-Q513 PolarHBondContact O-N 3.34Å; E510-Q513 VanDerWaalsContact O-N 3.14Å; E510-D514 PolarHBondContact O-N 3.39Å; E510-V518 HydrophobicContact CB-CG1 4Å
511	A	79.4	Confident	84.6	Confident	3 Å²	3	85.2 Å²	85.2	3%	0.025	46%	0.455	C	S	.	.	H	α-helix	trans	-73.2	-20.2	-178.1	0	0	0	0	0	114.1	M504 L507 T509 P515 V518	M504-A511 HydrophobicContact CE-CB 3.37Å; L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 3.46Å; T509-A511 VanDerWaalsContact C-N 3.31Å; T509-A511 PolarHBondContact O-N 3.5Å; A511-P515 WeakPolarHBondContact O-CA 3.49Å; A511-V518 HydrophobicContact CB-CG2 3.63Å
512	V	82.7	Confident	84.7	Confident	121 Å²	121	81.2 Å²	81.2	73%	0.733	43%	0.428	S	S	*	.	H	α-helix	trans	-80.2	-24.8	170.1	166.3	0	0	0	0	111.3	G508 T509 E510	G508-V512 VanDerWaalsContact O-CG2 3.31Å; G508-V512 WeakPolarHBondContact O-CG2 3.5Å; G508-V512 PolarHBondContact O-N 3.08Å; T509-V512 PolarHBondContact O-N 3.12Å; E510-V512 VanDerWaalsContact C-N 3.31Å; E510-V512 PolarHBondContact O-N 2.91Å
513	Q	84.9	Confident	85.1	Confident	158 Å²	158	85 Å²	85	74%	0.738	44%	0.437	S	S	*	.	H	α-helix	trans	-80.9	-59.7	176	-65.1	-179.5	-10.1	0	0	111.9	E510	E510-Q513 PolarHBondContact O-N 3.34Å; E510-Q513 VanDerWaalsContact O-N 3.14Å
514	D	86.9	Confident	85.4	Confident	75 Å²	75	87 Å²	87	40%	0.401	46%	0.456	S	S	.	.			trans	-125.5	74.5	-177.4	-75.5	-42.1	0	0	0	111.6	E510 T516 K517 V518	E510-D514 PolarHBondContact O-N 3.39Å; D514-T516 VanDerWaalsContact C-N 3.33Å; D514-T516 PolarHBondContact O-N 2.83Å; D514-K517 HydrophobicContact CB-CB 3.56Å; D514-K517 HydrophobicContact CB-CD 3.61Å; D514-K517 HydrophobicContact CB-CG 4.31Å; D514-K517 WeakPolarHBondContact O-CB 3.42Å; D514-K517 PolarHBondContact O-N 2.85Å; D514-K517 VanDerWaalsContact O-N 3.08Å; D514-K517 WeakPolarHBondContact OD2-CD 3.18Å; D514-K517 WeakPolarHBondContact OD2-CE 3.27Å; D514-K517 IonicContact OD2-NZ 2.87Å; D514-K517 PolarHBondContact OD2-NZ 3.33Å; D514-V518 PolarHBondContact O-N 2.9Å; D514-V518 VanDerWaalsContact O-N 3.12Å
515	P	85.6	Confident	85.9	Confident	76 Å²	76	81.8 Å²	81.8	49%	0.494	43%	0.43	S	S	.	.	H	α-helix	trans	-55.9	-43.2	-174.6	19.4	-32	0	0	0	113.3	A511 K517 V518 E519	A511-P515 WeakPolarHBondContact O-CA 3.49Å; P515-K517 VanDerWaalsContact C-N 3.34Å; P515-K517 PolarHBondContact O-N 3.05Å; P515-V518 VanDerWaalsContact O-CG2 3.25Å; P515-V518 WeakPolarHBondContact O-CG2 3.47Å; P515-E519 WeakPolarHBondContact O-CB 3.32Å; P515-E519 PolarHBondContact O-N 3.09Å
516	T	89.6	Confident	86.2	Confident	115 Å²	115	74.5 Å²	74.5	71%	0.706	41%	0.407	S	S	*	.	H	α-helix	trans	-64.5	-35.8	179.1	-47.6	0	0	0	0	112.7	D514 A520	D514-T516 VanDerWaalsContact C-N 3.33Å; D514-T516 PolarHBondContact O-N 2.83Å; T516-A520 VanDerWaalsContact O-CB 3.23Å; T516-A520 WeakPolarHBondContact O-CB 3.34Å; T516-A520 PolarHBondContact O-N 3.39Å
517	K	89.4	Confident	86.7	Confident	141 Å²	141	73.6 Å²	73.6	61%	0.613	41%	0.407	S	S	*	.	H	α-helix	trans	-74.2	-44.8	-176.9	-172.1	-173.1	-173.9	-176.8	0	111.3	D514 P515 E519 A520 H521	D514-K517 HydrophobicContact CB-CB 3.56Å; D514-K517 HydrophobicContact CB-CD 3.61Å; D514-K517 HydrophobicContact CB-CG 4.31Å; D514-K517 WeakPolarHBondContact O-CB 3.42Å; D514-K517 PolarHBondContact O-N 2.85Å; D514-K517 VanDerWaalsContact O-N 3.08Å; D514-K517 WeakPolarHBondContact OD2-CD 3.18Å; D514-K517 WeakPolarHBondContact OD2-CE 3.27Å; D514-K517 IonicContact OD2-NZ 2.87Å; D514-K517 PolarHBondContact OD2-NZ 3.33Å; P515-K517 VanDerWaalsContact C-N 3.34Å; P515-K517 PolarHBondContact O-N 3.05Å; K517-E519 VanDerWaalsContact C-N 3.33Å; K517-A520 PolarHBondContact O-N 3.25Å; K517-H521 WeakPolarHBondContact O-CB 3.45Å; K517-H521 PolarHBondContact O-N 3.45Å
518	V	86.9	Confident	87.3	Confident	11 Å²	11	77.7 Å²	77.7	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-68.1	-34.6	174.7	-59.6	0	0	0	0	111.3	L503 E510 A511 D514 P515 H521 V522	L503-V518 HydrophobicContact CD1-CB 4.08Å; L503-V518 HydrophobicContact CD1-CG2 3.89Å; L503-V518 HydrophobicContact CD2-CG2 4.21Å; L503-V518 HydrophobicContact CG-CG2 4.33Å; E510-V518 HydrophobicContact CB-CG1 4Å; A511-V518 HydrophobicContact CB-CG2 3.63Å; D514-V518 PolarHBondContact O-N 2.9Å; D514-V518 VanDerWaalsContact O-N 3.12Å; P515-V518 VanDerWaalsContact O-CG2 3.25Å; P515-V518 WeakPolarHBondContact O-CG2 3.47Å; V518-H521 PolarHBondContact O-N 3.2Å; V518-V522 WeakPolarHBondContact O-CB 3.49Å; V518-V522 WeakPolarHBondContact O-CG2 3.45Å; V518-V522 PolarHBondContact O-N 2.91Å
519	E	87.8	Confident	87.9	Confident	51 Å²	51	79.9 Å²	79.9	24%	0.238	42%	0.424	C	S	.	.	H	α-helix	trans	-68.7	-43.9	175.2	-151.6	-145.1	159.4	0	0	110.9	L503 P515 K517 H521 V522 R523	L503-E519 HydrophobicContact CD2-CB 4.4Å; L503-E519 HydrophobicContact CD2-CG 4.31Å; P515-E519 WeakPolarHBondContact O-CB 3.32Å; P515-E519 PolarHBondContact O-N 3.09Å; K517-E519 VanDerWaalsContact C-N 3.33Å; E519-H521 VanDerWaalsContact C-N 3.33Å; E519-H521 PolarHBondContact O-N 3.08Å; E519-V522 PolarHBondContact O-N 3.44Å; E519-R523 WeakPolarHBondContact O-CB 3.35Å; E519-R523 VanDerWaalsContact O-CG 3.27Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 2.89Å; E519-R523 IonicContact OE1-CZ 3.14Å; E519-R523 IonicContact OE1-NE 3.57Å; E519-R523 PolarHBondContact OE1-NE 3.25Å; E519-R523 IonicContact OE1-NH2 2.65Å; E519-R523 PolarHBondContact OE1-NH2 2.82Å; E519-R523 IonicContact OE2-CZ 3.78Å; E519-R523 IonicContact OE2-NE 3.23Å; E519-R523 IonicContact OE2-NH2 2.72Å; E519-R523 PolarHBondContact OE2-NH2 2.78Å
520	A	91.1	Very high	88.6	Confident	55 Å²	55	80 Å²	80	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-58.8	-43.4	173.5	0	0	0	0	0	111.8	T516 K517 R523 A524	T516-A520 VanDerWaalsContact O-CB 3.23Å; T516-A520 WeakPolarHBondContact O-CB 3.34Å; T516-A520 PolarHBondContact O-N 3.39Å; K517-A520 PolarHBondContact O-N 3.25Å; A520-R523 PolarHBondContact O-N 3.31Å; A520-A524 VanDerWaalsContact O-CB 3.29Å; A520-A524 WeakPolarHBondContact O-CB 3.45Å; A520-A524 PolarHBondContact O-N 2.82Å
521	H	88.1	Confident	89.4	Confident	112 Å²	112	80.9 Å²	80.9	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.8	-175.8	89.6	0	0	0	111.8	K517 V518 E519 A524 Q525	K517-H521 WeakPolarHBondContact O-CB 3.45Å; K517-H521 PolarHBondContact O-N 3.45Å; V518-H521 PolarHBondContact O-N 3.2Å; E519-H521 VanDerWaalsContact C-N 3.33Å; E519-H521 PolarHBondContact O-N 3.08Å; H521-A524 PolarHBondContact O-N 2.72Å; H521-Q525 WeakPolarHBondContact O-CB 3.24Å; H521-Q525 PolarHBondContact O-N 2.75Å
522	V	89.8	Confident	90.1	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-71	-34.1	179.9	171.5	0	0	0	0	112.4	V498 I500 L503 L507 V518 E519 Q525 M526	V498-V522 HydrophobicContact CB-CG1 4.19Å; V498-V522 HydrophobicContact CB-CG2 3.91Å; V498-V522 HydrophobicContact CG1-CB 4.46Å; V498-V522 HydrophobicContact CG1-CG1 3.97Å; V498-V522 HydrophobicContact CG1-CG2 3.55Å; I500-V522 HydrophobicContact CG1-CG1 4.39Å; L503-V522 HydrophobicContact CD1-CB 4.23Å; L503-V522 HydrophobicContact CD1-CG2 3.66Å; L507-V522 HydrophobicContact CD1-CG2 4.18Å; V518-V522 WeakPolarHBondContact O-CB 3.49Å; V518-V522 WeakPolarHBondContact O-CG2 3.45Å; V518-V522 PolarHBondContact O-N 2.91Å; E519-V522 PolarHBondContact O-N 3.44Å; V522-Q525 PolarHBondContact O-N 2.87Å; V522-M526 HydrophobicContact CG1-SD 4.36Å; V522-M526 WeakPolarHBondContact O-CB 3.28Å; V522-M526 WeakPolarHBondContact O-CG 3.27Å; V522-M526 PolarHBondContact O-N 3.01Å
523	R	92.4	Very high	90.7	Very high	143 Å²	143	82.8 Å²	82.8	54%	0.54	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-47.6	168.3	-75.3	179.7	-174.4	-172.6	12.2	110.5	I500 E519 A520 Q525 M526 A527	I500-R523 HydrophobicContact CD1-CG 4.31Å; E519-R523 WeakPolarHBondContact O-CB 3.35Å; E519-R523 VanDerWaalsContact O-CG 3.27Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 2.89Å; E519-R523 IonicContact OE1-CZ 3.14Å; E519-R523 IonicContact OE1-NE 3.57Å; E519-R523 PolarHBondContact OE1-NE 3.25Å; E519-R523 IonicContact OE1-NH2 2.65Å; E519-R523 PolarHBondContact OE1-NH2 2.82Å; E519-R523 IonicContact OE2-CZ 3.78Å; E519-R523 IonicContact OE2-NE 3.23Å; E519-R523 IonicContact OE2-NH2 2.72Å; E519-R523 PolarHBondContact OE2-NH2 2.78Å; A520-R523 PolarHBondContact O-N 3.31Å; R523-Q525 VanDerWaalsContact C-N 3.35Å; R523-Q525 PolarHBondContact O-N 3.22Å; R523-M526 PolarHBondContact O-N 2.7Å; R523-A527 WeakPolarHBondContact O-CB 3.28Å; R523-A527 PolarHBondContact O-N 3.27Å
524	A	91.6	Very high	91.3	Very high	59 Å²	59	80.2 Å²	80.2	49%	0.488	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.2	0	0	0	0	0	112.1	A520 H521 A527 K528	A520-A524 VanDerWaalsContact O-CB 3.29Å; A520-A524 WeakPolarHBondContact O-CB 3.45Å; A520-A524 PolarHBondContact O-N 2.82Å; H521-A524 PolarHBondContact O-N 2.72Å; A524-A527 PolarHBondContact O-N 2.8Å; A524-K528 VanDerWaalsContact O-CB 3.25Å; A524-K528 WeakPolarHBondContact O-CB 3.27Å; A524-K528 PolarHBondContact O-N 2.69Å
525	Q	91.2	Very high	91.7	Very high	12 Å²	12	81.6 Å²	81.6	6%	0.056	42%	0.42	C	S	.	.	H	α-helix	trans	-68.7	-36.4	176	-154.8	-165.7	48.8	0	0	112.1	E495 H521 V522 R523 R529	E495-Q525 WeakPolarHBondContact OE2-CG 3.08Å; E495-Q525 PolarHBondContact OE2-NE2 3.39Å; H521-Q525 WeakPolarHBondContact O-CB 3.24Å; H521-Q525 PolarHBondContact O-N 2.75Å; V522-Q525 PolarHBondContact O-N 2.87Å; R523-Q525 VanDerWaalsContact C-N 3.35Å; R523-Q525 PolarHBondContact O-N 3.22Å; Q525-R529 VanDerWaalsContact CD-CZ 3.47Å; Q525-R529 VanDerWaalsContact O-CG 3.29Å; Q525-R529 WeakPolarHBondContact O-CG 3.41Å; Q525-R529 PolarHBondContact O-N 3.11Å; Q525-R529 VanDerWaalsContact O-N 3.15Å; Q525-R529 VanDerWaalsContact OE1-CZ 3.22Å
526	M	91.6	Very high	92.1	Very high	74 Å²	74	79.6 Å²	79.6	37%	0.365	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-44.2	170.9	-79	179.2	45	0	0	111.5	I500 V522 R523 R529 Q530	I500-M526 HydrophobicContact CD1-SD 4.4Å; I500-M526 HydrophobicContact CG1-SD 4.08Å; V522-M526 HydrophobicContact CG1-SD 4.36Å; V522-M526 WeakPolarHBondContact O-CB 3.28Å; V522-M526 WeakPolarHBondContact O-CG 3.27Å; V522-M526 PolarHBondContact O-N 3.01Å; R523-M526 PolarHBondContact O-N 2.7Å; M526-R529 PolarHBondContact O-N 3.07Å; M526-Q530 PolarHBondContact O-N 2.82Å
527	A	93.3	Very high	92.4	Very high	55 Å²	55	77.3 Å²	77.3	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.4	0	0	0	0	0	111.9	R523 A524 R529 Q530 K531	R523-A527 WeakPolarHBondContact O-CB 3.28Å; R523-A527 PolarHBondContact O-N 3.27Å; A524-A527 PolarHBondContact O-N 2.8Å; A527-R529 VanDerWaalsContact C-N 3.31Å; A527-R529 PolarHBondContact O-N 3.16Å; A527-Q530 PolarHBondContact O-N 3.38Å; A527-K531 WeakPolarHBondContact O-CB 3.29Å; A527-K531 PolarHBondContact O-N 3Å
528	K	92.9	Very high	92.5	Very high	123 Å²	123	73.5 Å²	73.5	54%	0.535	39%	0.388	S	S	.	.	H	α-helix	trans	-55.7	-43.1	173.1	-176.1	-178.4	179.4	-175	0	111.5	E495 A524 A532	E495-K528 IonicContact OE1-NZ 3.75Å; E495-K528 PolarHBondContact OE1-NZ 3.17Å; A524-K528 VanDerWaalsContact O-CB 3.25Å; A524-K528 WeakPolarHBondContact O-CB 3.27Å; A524-K528 PolarHBondContact O-N 2.69Å; K528-A532 VanDerWaalsContact O-CB 3.25Å; K528-A532 WeakPolarHBondContact O-CB 3.5Å; K528-A532 PolarHBondContact O-N 2.94Å
529	R	91.8	Very high	92.9	Very high	71 Å²	71	77.4 Å²	77.4	27%	0.268	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-39.9	175.6	-70.7	171.1	-174.8	124.8	4.6	113.2	P496 V498 Q525 M526 A527 H533	P496-R529 PolarHBondContact O-NH2 2.91Å; V498-R529 PolarHBondContact O-NH1 2.98Å; Q525-R529 VanDerWaalsContact CD-CZ 3.47Å; Q525-R529 VanDerWaalsContact O-CG 3.29Å; Q525-R529 WeakPolarHBondContact O-CG 3.41Å; Q525-R529 PolarHBondContact O-N 3.11Å; Q525-R529 VanDerWaalsContact O-N 3.15Å; Q525-R529 VanDerWaalsContact OE1-CZ 3.22Å; M526-R529 PolarHBondContact O-N 3.07Å; A527-R529 VanDerWaalsContact C-N 3.31Å; A527-R529 PolarHBondContact O-N 3.16Å; R529-H533 WeakPolarHBondContact O-CB 3.45Å; R529-H533 PolarHBondContact O-N 3.09Å; R529-H533 VanDerWaalsContact O-N 3.1Å
530	Q	94.2	Very high	93.1	Very high	118 Å²	118	83.5 Å²	83.5	55%	0.551	44%	0.442	S	S	*	.	H	α-helix	trans	-67.4	-49	177.3	177.9	168.2	-13.9	0	0	110.9	M526 A527 A532 H533 E534	M526-Q530 PolarHBondContact O-N 2.82Å; A527-Q530 PolarHBondContact O-N 3.38Å; Q530-A532 PolarHBondContact O-N 3.16Å; Q530-H533 WeakPolarHBondContact O-CB 3.36Å; Q530-H533 PolarHBondContact O-N 3.02Å; Q530-H533 VanDerWaalsContact O-N 3.11Å; Q530-E534 HydrophobicContact CG-CG 4.45Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.42Å; Q530-E534 PolarHBondContact NE2-OE1 2.91Å; Q530-E534 WeakPolarHBondContact O-CG 3.41Å; Q530-E534 PolarHBondContact O-N 2.97Å
531	K	95.9	Very high	93.1	Very high	125 Å²	125	88 Å²	88	54%	0.543	45%	0.451	S	S	.	.	H	α-helix	trans	-54.3	-51.6	173.5	178	170	173.2	175.1	0	111.3	A527 H533 E534 E535	A527-K531 WeakPolarHBondContact O-CB 3.29Å; A527-K531 PolarHBondContact O-N 3Å; K531-H533 VanDerWaalsContact C-N 3.27Å; K531-H533 PolarHBondContact O-N 2.84Å; K531-E534 CarbonylContact O-C 3.35Å; K531-E534 PolarHBondContact O-N 3.16Å; K531-E534 VanDerWaalsContact O-N 3.08Å; K531-E535 WeakPolarHBondContact CE-OE1 3.14Å; K531-E535 HydrophobicContact CG-CG 4.16Å; K531-E535 IonicContact NZ-OE1 2.8Å; K531-E535 WeakPolarHBondContact O-CB 3.18Å; K531-E535 VanDerWaalsContact O-CG 3.29Å; K531-E535 WeakPolarHBondContact O-CG 3.29Å; K531-E535 PolarHBondContact O-N 3.29Å
532	A	95.1	Very high	93.4	Very high	52 Å²	52	85.5 Å²	85.5	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-32.7	177.5	0	0	0	0	0	113.6	K528 Q530 A536	K528-A532 VanDerWaalsContact O-CB 3.25Å; K528-A532 WeakPolarHBondContact O-CB 3.5Å; K528-A532 PolarHBondContact O-N 2.94Å; Q530-A532 PolarHBondContact O-N 3.16Å; A532-A536 WeakPolarHBondContact O-CB 3.32Å; A532-A536 PolarHBondContact O-N 3.44Å
533	H	95.7	Very high	93.5	Very high	113 Å²	113	88.5 Å²	88.5	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-71.2	-41.6	173	168.9	-106.1	0	0	0	112.3	R529 Q530 K531 N537	R529-H533 WeakPolarHBondContact O-CB 3.45Å; R529-H533 PolarHBondContact O-N 3.09Å; R529-H533 VanDerWaalsContact O-N 3.1Å; Q530-H533 WeakPolarHBondContact O-CB 3.36Å; Q530-H533 PolarHBondContact O-N 3.02Å; Q530-H533 VanDerWaalsContact O-N 3.11Å; K531-H533 VanDerWaalsContact C-N 3.27Å; K531-H533 PolarHBondContact O-N 2.84Å; H533-N537 PolarHBondContact CD2-ND2 3.38Å; H533-N537 PolarHBondContact CE1-ND2 3.09Å; H533-N537 PolarHBondContact NE2-ND2 3.36Å; H533-N537 WeakPolarHBondContact O-CB 2.92Å; H533-N537 PolarHBondContact O-N 3.13Å; H533-N537 PolarHBondContact O-ND2 3.1Å
534	E	96.3	Very high	93.5	Very high	103 Å²	103	85 Å²	85	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-69	-41.4	177.7	-73.2	169.9	-170.1	0	0	111.8	Q530 K531 N537 A538	Q530-E534 HydrophobicContact CG-CG 4.45Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.42Å; Q530-E534 PolarHBondContact NE2-OE1 2.91Å; Q530-E534 WeakPolarHBondContact O-CG 3.41Å; Q530-E534 PolarHBondContact O-N 2.97Å; K531-E534 CarbonylContact O-C 3.35Å; K531-E534 PolarHBondContact O-N 3.16Å; K531-E534 VanDerWaalsContact O-N 3.08Å; E534-N537 CarbonylContact O-C 3.59Å; E534-N537 PolarHBondContact O-N 3.12Å; E534-A538 WeakPolarHBondContact O-CB 3.31Å; E534-A538 PolarHBondContact O-N 3.46Å
535	E	96.1	Very high	93.6	Very high	105 Å²	105	89.4 Å²	89.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-61.7	-47.5	171.6	-72.3	171	153.9	0	0	111.5	K531 N537 A538 A539	K531-E535 WeakPolarHBondContact CE-OE1 3.14Å; K531-E535 HydrophobicContact CG-CG 4.16Å; K531-E535 IonicContact NZ-OE1 2.8Å; K531-E535 WeakPolarHBondContact O-CB 3.18Å; K531-E535 VanDerWaalsContact O-CG 3.29Å; K531-E535 WeakPolarHBondContact O-CG 3.29Å; K531-E535 PolarHBondContact O-N 3.29Å; E535-N537 PolarHBondContact O-N 3.47Å; E535-A538 PolarHBondContact O-N 3Å; E535-A538 VanDerWaalsContact O-N 3.14Å; E535-A539 WeakPolarHBondContact O-CB 3.39Å; E535-A539 PolarHBondContact O-N 3.49Å
536	A	94.3	Very high	93.6	Very high	34 Å²	34	93.1 Å²	93.1	28%	0.281	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-29.2	175.4	0	0	0	0	0	112.6	A532 R540	A532-A536 WeakPolarHBondContact O-CB 3.32Å; A532-A536 PolarHBondContact O-N 3.44Å; A536-R540 VanDerWaalsContact O-CD 3.26Å; A536-R540 WeakPolarHBondContact O-CD 3.36Å; A536-R540 WeakPolarHBondContact O-CG 3.31Å; A536-R540 PolarHBondContact O-N 3.23Å
537	N	95.3	Very high	93.7	Very high	66 Å²	66	95.7 Å²	95.7	35%	0.353	50%	0.495	S	S	.	.	H	α-helix	trans	-80.8	-34.2	173.9	-70.7	-28.6	0	0	0	112.2	H533 E534 E535 R540 K541	H533-N537 PolarHBondContact CD2-ND2 3.38Å; H533-N537 PolarHBondContact CE1-ND2 3.09Å; H533-N537 PolarHBondContact NE2-ND2 3.36Å; H533-N537 WeakPolarHBondContact O-CB 2.92Å; H533-N537 PolarHBondContact O-N 3.13Å; H533-N537 PolarHBondContact O-ND2 3.1Å; E534-N537 CarbonylContact O-C 3.59Å; E534-N537 PolarHBondContact O-N 3.12Å; E535-N537 PolarHBondContact O-N 3.47Å; N537-R540 PolarHBondContact O-N 3.11Å; N537-K541 WeakPolarHBondContact O-CB 3.49Å; N537-K541 PolarHBondContact O-N 2.87Å
538	A	92.2	Very high	93.6	Very high	62 Å²	62	100 Å²	100	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-46	173.5	0	0	0	0	0	111.3	E534 E535 R540 K541	E534-A538 WeakPolarHBondContact O-CB 3.31Å; E534-A538 PolarHBondContact O-N 3.46Å; E535-A538 PolarHBondContact O-N 3Å; E535-A538 VanDerWaalsContact O-N 3.14Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 3.23Å; A538-K541 WeakPolarHBondContact O-CB 3.39Å; A538-K541 PolarHBondContact O-N 3.32Å
539	A	93.9	Very high	93.5	Very high	92 Å²	92	100.1 Å²	100.1	76%	0.76	51%	0.506	S	S	*	.	H	α-helix	trans	-62.3	-33.3	175.6	0	0	0	0	0	113	E535	E535-A539 WeakPolarHBondContact O-CB 3.39Å; E535-A539 PolarHBondContact O-N 3.49Å
540	R	91.6	Very high	93.5	Very high	179 Å²	179	103.1 Å²	103.1	68%	0.675	52%	0.521	S	S	*	.	H	α-helix	trans	-78.8	-20.4	173	-70.9	170	-172.7	144.6	2.1	113.7	A536 N537 A538 L542	A536-R540 VanDerWaalsContact O-CD 3.26Å; A536-R540 WeakPolarHBondContact O-CD 3.36Å; A536-R540 WeakPolarHBondContact O-CG 3.31Å; A536-R540 PolarHBondContact O-N 3.23Å; N537-R540 PolarHBondContact O-N 3.11Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 3.23Å; R540-L542 PolarHBondContact O-N 3.28Å
541	K	92.6	Very high	93.2	Very high	149 Å²	149	104.5 Å²	104.5	65%	0.648	53%	0.525	S	S	*	.	S	Bend	trans	-81.6	97.9	-177.4	179	-175.1	-178.7	-176.6	0	108.6	N537 A538 T543	N537-K541 WeakPolarHBondContact O-CB 3.49Å; N537-K541 PolarHBondContact O-N 2.87Å; A538-K541 WeakPolarHBondContact O-CB 3.39Å; A538-K541 PolarHBondContact O-N 3.32Å; K541-T543 PolarHBondContact O-N 3.39Å
542	L	93.1	Very high	92.8	Very high	60 Å²	60	100 Å²	100	31%	0.314	51%	0.508	S	S	.	.			trans	-38.5	138.5	176.7	-79.4	71.4	0	0	0	111.9	R540 Q546 R547 K550	R540-L542 PolarHBondContact O-N 3.28Å; L542-Q546 HydrophobicContact CB-CB 4.07Å; L542-Q546 HydrophobicContact CD2-CB 4.25Å; L542-Q546 HydrophobicContact CG-CB 4.28Å; L542-R547 HydrophobicContact CB-CG 3.81Å; L542-R547 HydrophobicContact CD2-CG 4.34Å; L542-R547 VanDerWaalsContact O-CZ 3.27Å; L542-R547 PolarHBondContact O-NE 3.11Å; L542-R547 PolarHBondContact O-NH2 3.2Å; L542-K550 HydrophobicContact CD2-CD 3.75Å
543	T	92.9	Very high	92.4	Very high	63 Å²	63	103.3 Å²	103.3	39%	0.387	51%	0.513	S	S	.	.			trans	-58.2	162.3	175.3	73.3	0	0	0	0	110.7	K541 E545 Q546 R547	K541-T543 PolarHBondContact O-N 3.39Å; T543-E545 PolarHBondContact O-N 3.41Å; T543-Q546 VanDerWaalsContact N-OE1 3.11Å; T543-Q546 PolarHBondContact O-N 2.86Å; T543-Q546 VanDerWaalsContact OG1-CG 3.32Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.32Å; T543-Q546 PolarHBondContact OG1-N 3.26Å; T543-Q546 VanDerWaalsContact OG1-N 3.07Å; T543-R547 PolarHBondContact O-N 2.96Å; T543-R547 PolarHBondContact O-NE 2.89Å
544	A	92.5	Very high	91.9	Very high	70 Å²	70	104.6 Å²	104.6	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-58.4	-35.5	177.1	0	0	0	0	0	111.4	K548	A544-K548 PolarHBondContact O-N 2.97Å
545	E	92.1	Very high	91.1	Very high	151 Å²	151	100.5 Å²	100.5	71%	0.706	50%	0.498	S	S	*	.	H	α-helix	trans	-69.7	-50.7	177.7	-63.7	161.8	159.7	0	0	111.8	T543 R547 K548 E549	T543-E545 PolarHBondContact O-N 3.41Å; E545-R547 PolarHBondContact O-N 3.44Å; E545-K548 CarbonylContact O-C 3.52Å; E545-K548 WeakPolarHBondContact O-CA 3.37Å; E545-K548 WeakPolarHBondContact O-CB 3.38Å; E545-K548 PolarHBondContact O-N 2.87Å; E545-E549 WeakPolarHBondContact O-CB 3.28Å; E545-E549 PolarHBondContact O-N 3.46Å
546	Q	93.2	Very high	90.3	Very high	90 Å²	90	101.3 Å²	101.3	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-33.7	175	-71.1	168.3	-4.4	0	0	112.1	L542 T543 K550	L542-Q546 HydrophobicContact CB-CB 4.07Å; L542-Q546 HydrophobicContact CD2-CB 4.25Å; L542-Q546 HydrophobicContact CG-CB 4.28Å; T543-Q546 VanDerWaalsContact N-OE1 3.11Å; T543-Q546 PolarHBondContact O-N 2.86Å; T543-Q546 VanDerWaalsContact OG1-CG 3.32Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.32Å; T543-Q546 PolarHBondContact OG1-N 3.26Å; T543-Q546 VanDerWaalsContact OG1-N 3.07Å; Q546-K550 WeakPolarHBondContact O-CB 3.46Å; Q546-K550 WeakPolarHBondContact O-CG 3.45Å; Q546-K550 PolarHBondContact O-N 3.36Å
547	R	93.1	Very high	88.8	Confident	129 Å²	129	104.6 Å²	104.6	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-69.6	-39.6	172.2	-83.6	178.8	-84.3	138.1	-2.8	112.6	L542 T543 E545 K551	L542-R547 HydrophobicContact CB-CG 3.81Å; L542-R547 HydrophobicContact CD2-CG 4.34Å; L542-R547 VanDerWaalsContact O-CZ 3.27Å; L542-R547 PolarHBondContact O-NE 3.11Å; L542-R547 PolarHBondContact O-NH2 3.2Å; T543-R547 PolarHBondContact O-N 2.96Å; T543-R547 PolarHBondContact O-NE 2.89Å; E545-R547 PolarHBondContact O-N 3.44Å; R547-K551 WeakPolarHBondContact O-CB 3.39Å; R547-K551 PolarHBondContact O-N 2.81Å
548	K	90.6	Very high	87.5	Confident	146 Å²	146	102.3 Å²	102.3	64%	0.635	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-51.1	172.7	-178.4	-176.3	175.7	-173.2	0	110	A544 E545 K551 V552	A544-K548 PolarHBondContact O-N 2.97Å; E545-K548 CarbonylContact O-C 3.52Å; E545-K548 WeakPolarHBondContact O-CA 3.37Å; E545-K548 WeakPolarHBondContact O-CB 3.38Å; E545-K548 PolarHBondContact O-N 2.87Å; K548-K551 CarbonylContact O-C 3.57Å; K548-K551 WeakPolarHBondContact O-CB 3.31Å; K548-K551 PolarHBondContact O-N 3.13Å; K548-K551 VanDerWaalsContact O-N 3.14Å; K548-V552 HydrophobicContact CG-CG2 4.47Å; K548-V552 WeakPolarHBondContact O-CG2 3.48Å; K548-V552 PolarHBondContact O-N 3.03Å
549	E	91.8	Very high	86.4	Confident	125 Å²	125	101.7 Å²	101.7	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-58.4	-52.8	-179.5	-168.6	-162.7	175.8	0	0	112.2	E545 K551 V552 K553	E545-E549 WeakPolarHBondContact O-CB 3.28Å; E545-E549 PolarHBondContact O-N 3.46Å; E549-K551 PolarHBondContact O-N 3.35Å; E549-V552 CarbonylContact O-C 3.58Å; E549-V552 PolarHBondContact O-N 2.96Å; E549-K553 WeakPolarHBondContact O-CB 3.48Å; E549-K553 PolarHBondContact O-N 3.4Å
550	K	91.3	Very high	85.1	Confident	134 Å²	134	101.5 Å²	101.5	58%	0.583	48%	0.475	S	S	*	.	H	α-helix	trans	-62	-28	177.3	-69.4	-168.8	-172.2	-171.9	0	113	L542 Q546 K554	L542-K550 HydrophobicContact CD2-CD 3.75Å; Q546-K550 WeakPolarHBondContact O-CB 3.46Å; Q546-K550 WeakPolarHBondContact O-CG 3.45Å; Q546-K550 PolarHBondContact O-N 3.36Å; K550-K554 VanDerWaalsContact O-CB 3.3Å; K550-K554 WeakPolarHBondContact O-CB 3.39Å; K550-K554 PolarHBondContact O-N 3.33Å
551	K	87.6	Confident	84	Confident	147 Å²	147	98.7 Å²	98.7	64%	0.639	47%	0.473	S	S	*	.	H	α-helix	trans	-73.1	-38.4	171.8	-174.3	-173.2	175.4	-167.6	0	112.1	R547 K548 E549 L555	R547-K551 WeakPolarHBondContact O-CB 3.39Å; R547-K551 PolarHBondContact O-N 2.81Å; K548-K551 CarbonylContact O-C 3.57Å; K548-K551 WeakPolarHBondContact O-CB 3.31Å; K548-K551 PolarHBondContact O-N 3.13Å; K548-K551 VanDerWaalsContact O-N 3.14Å; E549-K551 PolarHBondContact O-N 3.35Å; K551-L555 WeakPolarHBondContact O-CG 3.35Å; K551-L555 PolarHBondContact O-N 3.2Å
552	V	87.1	Confident	83.5	Confident	30 Å²	30	92.3 Å²	92.3	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-68.6	-47.5	176	172.3	0	0	0	0	110.8	K548 E549 K554 L555 K556 Y590	K548-V552 HydrophobicContact CG-CG2 4.47Å; K548-V552 WeakPolarHBondContact O-CG2 3.48Å; K548-V552 PolarHBondContact O-N 3.03Å; E549-V552 CarbonylContact O-C 3.58Å; E549-V552 PolarHBondContact O-N 2.96Å; V552-K554 PolarHBondContact O-N 2.96Å; V552-L555 PolarHBondContact O-N 2.98Å; V552-K556 HydrophobicContact CG1-CD 4.13Å; V552-K556 HydrophobicContact CG1-CG 4.34Å; V552-K556 PolarHBondContact O-N 3.31Å; V552-Y590 HydrophobicContact CB-CE2 4.27Å; V552-Y590 HydrophobicContact CG1-CE2 3.9Å; V552-Y590 HydrophobicContact CG2-CE2 3.91Å; V552-Y590 WeakPolarHBondContact CG2-OH 3.48Å
553	K	88.1	Confident	83.3	Confident	121 Å²	121	89.9 Å²	89.9	53%	0.526	44%	0.437	S	S	.	.	H	α-helix	trans	-54.5	-50.7	176	178.7	156.5	178.4	167.6	0	110.9	E549 L555 K556 E557	E549-K553 WeakPolarHBondContact O-CB 3.48Å; E549-K553 PolarHBondContact O-N 3.4Å; K553-L555 PolarHBondContact O-N 3.47Å; K553-K556 PolarHBondContact O-N 3.36Å; K553-E557 WeakPolarHBondContact CE-OE1 3.16Å; K553-E557 HydrophobicContact CG-CG 4.04Å; K553-E557 VanDerWaalsContact CG-OE1 3.24Å; K553-E557 WeakPolarHBondContact CG-OE1 3.41Å; K553-E557 IonicContact NZ-OE1 3.92Å; K553-E557 VanDerWaalsContact O-CG 3.29Å; K553-E557 WeakPolarHBondContact O-CG 3.43Å; K553-E557 PolarHBondContact O-N 2.93Å
554	K	84.7	Confident	83.3	Confident	140 Å²	140	89.8 Å²	89.8	61%	0.609	43%	0.432	S	S	*	.	H	α-helix	trans	-61.7	-13.7	174.4	-177.4	163.3	-177.7	166.1	0	115.7	K550 V552 E557	K550-K554 VanDerWaalsContact O-CB 3.3Å; K550-K554 WeakPolarHBondContact O-CB 3.39Å; K550-K554 PolarHBondContact O-N 3.33Å; V552-K554 PolarHBondContact O-N 2.96Å; K554-E557 WeakPolarHBondContact CA-OE2 3.46Å; K554-E557 PolarHBondContact N-OE2 2.69Å
555	L	79.2	Confident	83.4	Confident	18 Å²	18	86.4 Å²	86.4	9%	0.094	41%	0.405	C	S	.	.	H	α-helix	trans	-97.3	-26.1	172	-70.6	168.5	0	0	0	112.6	K551 V552 K553 L589 Y590	K551-L555 WeakPolarHBondContact O-CG 3.35Å; K551-L555 PolarHBondContact O-N 3.2Å; V552-L555 PolarHBondContact O-N 2.98Å; K553-L555 PolarHBondContact O-N 3.47Å; L555-L589 HydrophobicContact CD2-CD2 4.39Å; L555-Y590 HydrophobicContact CB-CD2 3.97Å; L555-Y590 HydrophobicContact CD1-CD2 4.09Å; L555-Y590 HydrophobicContact CD1-CE2 4.32Å
556	K	78.4	Confident	83.5	Confident	122 Å²	122	79.3 Å²	79.3	53%	0.53	37%	0.371	S	S	.	.	H	α-helix	trans	-84.7	-31.8	177.4	-71.2	-171.4	173.5	-168	0	113.5	V552 K553 D558	V552-K556 HydrophobicContact CG1-CD 4.13Å; V552-K556 HydrophobicContact CG1-CG 4.34Å; V552-K556 PolarHBondContact O-N 3.31Å; K553-K556 PolarHBondContact O-N 3.36Å; K556-D558 PolarHBondContact O-N 3.24Å
557	E	64.2	Low	83.7	Confident	103 Å²	103	75 Å²	75	48%	0.481	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-64.3	-16.9	178.1	-72.9	166	148	0	0	113.2	K553 K554 L559	K553-E557 WeakPolarHBondContact CE-OE1 3.16Å; K553-E557 HydrophobicContact CG-CG 4.04Å; K553-E557 VanDerWaalsContact CG-OE1 3.24Å; K553-E557 WeakPolarHBondContact CG-OE1 3.41Å; K553-E557 IonicContact NZ-OE1 3.92Å; K553-E557 VanDerWaalsContact O-CG 3.29Å; K553-E557 WeakPolarHBondContact O-CG 3.43Å; K553-E557 PolarHBondContact O-N 2.93Å; K554-E557 WeakPolarHBondContact CA-OE2 3.46Å; K554-E557 PolarHBondContact N-OE2 2.69Å; E557-L559 PolarHBondContact O-N 3.08Å; E557-L559 VanDerWaalsContact O-N 3.1Å
558	D	66.5	Low	83.8	Confident	18 Å²	18	68.9 Å²	68.9	10%	0.096	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-76.6	14	-179.1	-72.3	-13.2	0	0	0	114.1	K556 G609 P610 K611	K556-D558 PolarHBondContact O-N 3.24Å; D558-G609 WeakPolarHBondContact O-CA 3.37Å; D558-P610 WeakPolarHBondContact O-CD 3.29Å; D558-K611 IonicContact OD1-NZ 2.8Å; D558-K611 PolarHBondContact OD1-NZ 3.18Å; D558-K611 WeakPolarHBondContact OD2-CB 3.29Å; D558-K611 WeakPolarHBondContact OD2-CD 3.42Å; D558-K611 WeakPolarHBondContact OD2-CG 3.25Å; D558-K611 IonicContact OD2-NZ 3.19Å
559	L	69.3	Low	83.9	Confident	48 Å²	48	62.6 Å²	62.6	25%	0.251	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-112.5	-3	-173.1	-70.4	168.9	0	0	0	114.9	E557	E557-L559 PolarHBondContact O-N 3.08Å; E557-L559 VanDerWaalsContact O-N 3.1Å
560	T	67.3	Low	83.9	Confident	89 Å²	89	56.6 Å²	56.6	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-31.6	-172.8	-58.3	0	0	0	0	113.5	T452 G562	T452-T560 HydrophobicContact CG2-CG2 3.98Å; T560-G562 VanDerWaalsContact C-N 3.27Å; T560-G562 PolarHBondContact O-N 2.95Å
561	N	69.3	Low	83.7	Confident	120 Å²	120	54.4 Å²	54.4	64%	0.642	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	40.5	-176.2	-58.9	64	0	0	0	112	V450	V450-N561 HydrophobicContact CG1-CB 4.3Å
562	G	81.1	Confident	83.6	Confident	15 Å²	15	49.2 Å²	49.2	16%	0.155	24%	0.24	C	C	.	.			trans	78.1	-179.4	-170.9	0	0	0	0	0	114.2	T560	T560-G562 VanDerWaalsContact C-N 3.27Å; T560-G562 PolarHBondContact O-N 2.95Å
563	V	89.3	Confident	83.6	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.8	-171.2	-176.8	0	0	0	0	109.7	V565 E607 T655 A656 R659	V563-V565 HydrophobicContact CG1-CG2 4.24Å; V563-E607 HydrophobicContact CG1-CB 3.87Å; V563-T655 CarbonylContact O-C 3.49Å; V563-T655 VanDerWaalsContact O-CA 3.3Å; V563-T655 WeakPolarHBondContact O-CA 3.47Å; V563-A656 PolarHBondContact N-O 3.07Å; V563-A656 PolarHBondContact O-N 3.43Å; V563-R659 HydrophobicContact CG1-CG 4.04Å; V563-R659 HydrophobicContact CG2-CG 3.71Å
564	H	92.6	Very high	83.5	Confident	61 Å²	61	48 Å²	48	28%	0.282	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.4	170	-70.8	-99.4	0	0	0	110	E607 G608 Q613 G654 T655	H564-E607 CarbonylContact O-C 3.55Å; H564-E607 WeakPolarHBondContact O-CA 3.27Å; H564-G608 WeakPolarHBondContact CA-O 3.32Å; H564-G608 WeakPolarHBondContact CB-O 3.17Å; H564-G608 PolarHBondContact N-O 3.13Å; H564-G608 PolarHBondContact O-N 2.86Å; H564-G608 VanDerWaalsContact O-O 3.04Å; H564-Q613 HydrophobicContact CB-CG 3.94Å; H564-Q613 PolarHBondContact O-NE2 2.97Å; H564-G654 CarbonylContact C-O 3.59Å; H564-G654 WeakPolarHBondContact CA-O 3.43Å; H564-T655 VanDerWaalsContact CE1-CG2 3.49Å; H564-T655 WeakPolarHBondContact CE1-CG2 3.2Å; H564-T655 WeakPolarHBondContact ND1-CG2 3.33Å
565	V	94.2	Very high	83.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.6	-177.9	-174.8	0	0	0	0	109.2	V563 V605 V606 E607 W652 E653 G654 A656 Y687	V563-V565 HydrophobicContact CG1-CG2 4.24Å; V565-V605 HydrophobicContact CG1-CG1 4.16Å; V565-V606 CarbonylContact C-O 3.59Å; V565-V606 WeakPolarHBondContact CA-O 3.22Å; V565-E607 HydrophobicContact CG1-CG 4.23Å; V565-E607 HydrophobicContact CG2-CB 4.48Å; V565-E607 HydrophobicContact CG2-CG 4.04Å; V565-W652 HydrophobicContact CB-CE3 4.49Å; V565-W652 HydrophobicContact CB-CH2 4.42Å; V565-W652 HydrophobicContact CB-CZ3 3.68Å; V565-W652 HydrophobicContact CG1-CE3 4.38Å; V565-W652 HydrophobicContact CG1-CZ3 3.82Å; V565-E653 WeakPolarHBondContact O-CA 3.17Å; V565-G654 PolarHBondContact N-O 2.92Å; V565-G654 PolarHBondContact O-N 3.23Å; V565-A656 HydrophobicContact CG2-CB 3.92Å; V565-Y687 HydrophobicContact CG1-CE2 4.17Å
566	T	95.6	Very high	84.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.9	171.9	54	0	0	0	0	110.7	Y568 V606 Q613 L650 W652 E653	T566-Y568 WeakPolarHBondContact CB-OH 3.33Å; T566-Y568 WeakPolarHBondContact OG1-CE2 3.35Å; T566-Y568 PolarHBondContact OG1-OH 3.28Å; T566-V606 PolarHBondContact N-O 2.98Å; T566-V606 PolarHBondContact O-N 3.1Å; T566-Q613 PolarHBondContact OG1-OE1 2.93Å; T566-L650 HydrophobicContact CG2-CD1 4.3Å; T566-W652 WeakPolarHBondContact CA-O 3.43Å; T566-E653 HydrophobicContact CG2-CB 3.96Å; T566-E653 HydrophobicContact CG2-CG 3.74Å
567	V	95.9	Very high	84.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.5	-179	179.1	0	0	0	0	108.4	I603 V605 I651 W652 Y687	V567-I603 HydrophobicContact CG1-CG2 3.89Å; V567-V605 HydrophobicContact CG1-CG2 4.28Å; V567-V605 HydrophobicContact CG2-CG1 4.26Å; V567-V605 HydrophobicContact CG2-CG2 4.13Å; V567-I651 HydrophobicContact CG1-CB 4.28Å; V567-I651 HydrophobicContact CG1-CD1 3.99Å; V567-I651 PolarHBondContact O-N 3.01Å; V567-W652 HydrophobicContact CB-CB 4.31Å; V567-W652 HydrophobicContact CG2-CE3 4.08Å; V567-W652 PolarHBondContact N-O 3.26Å; V567-W652 PolarHBondContact O-N 3.04Å; V567-Y687 HydrophobicContact CG2-CD1 3.84Å; V567-Y687 HydrophobicContact CG2-CD2 4.24Å; V567-Y687 HydrophobicContact CG2-CE1 4.38Å; V567-Y687 HydrophobicContact CG2-CG 3.8Å
568	Y	95.6	Very high	85.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.4	176.7	-47.6	-96.6	0	0	0	110.9	T566 I603 V604 F616 K617 M620 M621 W649 L650	T566-Y568 WeakPolarHBondContact CB-OH 3.33Å; T566-Y568 WeakPolarHBondContact OG1-CE2 3.35Å; T566-Y568 PolarHBondContact OG1-OH 3.28Å; Y568-I603 WeakPolarHBondContact O-CA 3.34Å; Y568-V604 HydrophobicContact CD2-CB 4.41Å; Y568-V604 HydrophobicContact CD2-CG1 4.27Å; Y568-V604 WeakPolarHBondContact CD2-O 3.21Å; Y568-V604 PolarHBondContact N-O 3.42Å; Y568-V604 PolarHBondContact O-N 3.28Å; Y568-F616 HydrophobicContact CD2-CE1 4.3Å; Y568-F616 AromaticContact CE2-CD1 3.81Å; Y568-F616 HydrophobicContact CE2-CD1 3.81Å; Y568-F616 AromaticContact CE2-CE1 3.81Å; Y568-F616 HydrophobicContact CE2-CE1 3.81Å; Y568-K617 WeakPolarHBondContact OH-CA 3.41Å; Y568-K617 PolarHBondContact OH-N 3.28Å; Y568-M620 HydrophobicContact CD1-CB 3.93Å; Y568-M620 HydrophobicContact CD1-CG 4.18Å; Y568-M620 HydrophobicContact CD2-CE 4.29Å; Y568-M620 HydrophobicContact CD2-CG 4.29Å; Y568-M620 HydrophobicContact CE1-CB 3.82Å; Y568-M620 HydrophobicContact CE1-CG 4.02Å; Y568-M620 HydrophobicContact CE2-CG 4.16Å; Y568-M620 HydrophobicContact CG-CB 4.5Å; Y568-M620 HydrophobicContact CG-CE 4.16Å; Y568-M620 HydrophobicContact CG-CG 4.33Å; Y568-M621 HydrophobicContact CD1-SD 4.2Å; Y568-M621 HydrophobicContact CE1-SD 4.35Å; Y568-W649 CarbonylContact C-O 3.53Å; Y568-W649 WeakPolarHBondContact CA-O 3.35Å; Y568-L650 HydrophobicContact CD1-CB 4.28Å; Y568-L650 HydrophobicContact CD1-CD1 4Å; Y568-L650 HydrophobicContact CE1-CB 4.38Å; Y568-L650 HydrophobicContact CE1-CD1 3.71Å
569	R	92.4	Very high	87.2	Confident	13 Å²	13	40.3 Å²	40.3	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139	168.2	156.8	175.1	169	-101.1	-0.3	109.7	V601 N602 C648 W649 I651 E698	R569-V601 HydrophobicContact CG-CG1 4.47Å; R569-N602 WeakPolarHBondContact CA-O 3.49Å; R569-C648 WeakPolarHBondContact O-CA 3.36Å; R569-W649 HydrophobicContact CG-CE3 4.35Å; R569-W649 PolarHBondContact N-O 3.05Å; R569-W649 PolarHBondContact O-N 2.83Å; R569-I651 HydrophobicContact CB-CD1 3.34Å; R569-I651 HydrophobicContact CB-CG1 4.01Å; R569-E698 IonicContact CZ-OE2 3.4Å; R569-E698 IonicContact NH1-OE2 2.69Å; R569-E698 PolarHBondContact NH1-OE2 3.14Å; R569-E698 IonicContact NH2-OE2 3.38Å; R569-E698 PolarHBondContact NH2-OE2 3.46Å
570	I	92.2	Very high	88.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132	177.3	-63.4	156.1	0	0	0	107.9	L573 N602 V604 M620 W626 C648	I570-L573 HydrophobicContact CD1-CD1 4.41Å; I570-L573 HydrophobicContact CD1-CD2 4.04Å; I570-L573 HydrophobicContact CG2-CB 4.22Å; I570-N602 HydrophobicContact CB-CB 4.38Å; I570-N602 PolarHBondContact N-O 3.39Å; I570-N602 VanDerWaalsContact O-CB 3.31Å; I570-N602 WeakPolarHBondContact O-CB 3.45Å; I570-N602 PolarHBondContact O-N 3.43Å; I570-N602 PolarHBondContact O-ND2 3.13Å; I570-V604 HydrophobicContact CD1-CG2 3.9Å; I570-M620 HydrophobicContact CD1-CE 3.8Å; I570-W626 HydrophobicContact CD1-CE3 4.38Å; I570-W626 HydrophobicContact CD1-CH2 3.47Å; I570-W626 VanDerWaalsContact CD1-CH2 3.47Å; I570-W626 HydrophobicContact CD1-CZ2 3.91Å; I570-W626 HydrophobicContact CD1-CZ3 3.74Å; I570-W626 HydrophobicContact CG1-CE3 4.47Å; I570-W626 HydrophobicContact CG1-CH2 4.31Å; I570-W626 HydrophobicContact CG1-CZ2 4.49Å; I570-W626 HydrophobicContact CG1-CZ3 4.31Å; I570-W626 HydrophobicContact CG2-CE3 3.86Å; I570-W626 HydrophobicContact CG2-CZ3 4.01Å; I570-C648 HydrophobicContact CG1-CB 3.92Å
571	R	87.5	Confident	89.6	Confident	88 Å²	88	44.4 Å²	44.4	33%	0.332	23%	0.226	S	C	.	.	S	Bend	trans	-63.9	-49.8	-178.3	-155.2	172.7	-171.8	150.3	1.9	110.7	D600 N602 N645 W649	R571-D600 CarbonylContact O-C 3.6Å; R571-N602 PolarHBondContact O-ND2 3.13Å; R571-N645 WeakPolarHBondContact CD-O 3.44Å; R571-W649 HydrophobicContact CB-CZ3 4.33Å
572	N	86	Confident	90.8	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	20%	0.195	C	C	.	.			trans	-133.6	112.3	176.3	-176.1	-26.4	0	0	0	112.9	Q574 N646	N572-Q574 PolarHBondContact ND2-OE1 3.42Å; N572-Q574 VanDerWaalsContact ND2-OE1 3.13Å; N572-Q574 WeakPolarHBondContact OD1-CB 3.38Å; N572-Q574 WeakPolarHBondContact OD1-CG 3.36Å; N572-Q574 PolarHBondContact OD1-N 3.1Å; N572-Q574 PolarHBondContact OD1-OE1 3.41Å; N572-N646 PolarHBondContact N-OD1 2.99Å; N572-N646 PolarHBondContact O-ND2 3.32Å; N572-N646 PolarHBondContact O-OD1 3.42Å
573	L	86.8	Confident	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.			trans	-105.1	20.7	176	-175.2	48.9	0	0	0	113.5	I570 N575 K578 K579 V595 L597 N602 V604 W626	I570-L573 HydrophobicContact CD1-CD1 4.41Å; I570-L573 HydrophobicContact CD1-CD2 4.04Å; I570-L573 HydrophobicContact CG2-CB 4.22Å; L573-N575 PolarHBondContact O-N 2.81Å; L573-K578 HydrophobicContact CD1-CB 4.25Å; L573-K579 HydrophobicContact CD1-CG 4.19Å; L573-K579 HydrophobicContact CG-CG 4.25Å; L573-K579 WeakPolarHBondContact O-CE 3.49Å; L573-K579 VanDerWaalsContact O-CG 3.32Å; L573-K579 WeakPolarHBondContact O-CG 3.34Å; L573-V595 HydrophobicContact CD2-CG1 3.57Å; L573-L597 HydrophobicContact CB-CD2 3.98Å; L573-L597 HydrophobicContact CD2-CD2 3.91Å; L573-L597 HydrophobicContact CG-CD2 3.92Å; L573-N602 HydrophobicContact CB-CB 3.7Å; L573-N602 HydrophobicContact CD2-CB 4.34Å; L573-N602 PolarHBondContact N-ND2 3.22Å; L573-V604 HydrophobicContact CD2-CG2 3.76Å; L573-W626 HydrophobicContact CD1-CH2 4.15Å; L573-W626 HydrophobicContact CD1-CZ3 3.81Å
574	Q	84.6	Confident	91.7	Very high	124 Å²	124	41.7 Å²	41.7	58%	0.579	21%	0.207	S	C	*	.			trans	-63.9	-37.1	-175.3	-67.6	165.7	-4.6	0	0	113.5	N572 P576 K579	N572-Q574 PolarHBondContact ND2-OE1 3.42Å; N572-Q574 VanDerWaalsContact ND2-OE1 3.13Å; N572-Q574 WeakPolarHBondContact OD1-CB 3.38Å; N572-Q574 WeakPolarHBondContact OD1-CG 3.36Å; N572-Q574 PolarHBondContact OD1-N 3.1Å; N572-Q574 PolarHBondContact OD1-OE1 3.41Å; Q574-P576 WeakPolarHBondContact O-CD 3.22Å; Q574-K579 VanDerWaalsContact O-CE 3.25Å; Q574-K579 WeakPolarHBondContact O-CE 3.33Å; Q574-K579 PolarHBondContact O-NZ 3.02Å
575	N	86.8	Confident	91.9	Very high	29 Å²	29	40.2 Å²	40.2	16%	0.155	20%	0.201	C	C	.	.			trans	-55.2	115.3	-174.5	179.5	-30.3	0	0	0	113.2	L573 A577 K578 K579	L573-N575 PolarHBondContact O-N 2.81Å; N575-A577 VanDerWaalsContact C-N 3.29Å; N575-A577 PolarHBondContact O-N 2.9Å; N575-A577 WeakPolarHBondContact OD1-CB 3.41Å; N575-A577 PolarHBondContact OD1-N 3.06Å; N575-K578 HydrophobicContact CB-CB 4.24Å; N575-K578 HydrophobicContact CB-CD 4.06Å; N575-K578 HydrophobicContact CB-CG 4.09Å; N575-K578 PolarHBondContact O-N 2.97Å; N575-K578 PolarHBondContact OD1-N 2.72Å; N575-K579 PolarHBondContact O-N 2.86Å
576	P	89.8	Confident	91.9	Very high	94 Å²	94	40.2 Å²	40.2	61%	0.61	20%	0.201	S	C	*	.	H	α-helix	trans	-58.3	-34.4	-177.4	-27.1	35.5	0	0	0	114.7	Q574 K578 K579 F580	Q574-P576 WeakPolarHBondContact O-CD 3.22Å; P576-K578 VanDerWaalsContact C-N 3.27Å; P576-K578 PolarHBondContact O-N 3.23Å; P576-K579 PolarHBondContact O-N 3.39Å; P576-F580 WeakPolarHBondContact O-CB 3.44Å; P576-F580 PolarHBondContact O-N 3.25Å
577	A	91	Very high	91.8	Very high	46 Å²	46	42.4 Å²	42.4	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-75.6	-15	178.9	0	0	0	0	0	113.2	N575 K581	N575-A577 VanDerWaalsContact C-N 3.29Å; N575-A577 PolarHBondContact O-N 2.9Å; N575-A577 WeakPolarHBondContact OD1-CB 3.41Å; N575-A577 PolarHBondContact OD1-N 3.06Å; A577-K581 WeakPolarHBondContact O-CD 3.37Å; A577-K581 WeakPolarHBondContact O-CE 3.48Å; A577-K581 VanDerWaalsContact O-CG 3.24Å; A577-K581 WeakPolarHBondContact O-CG 3.25Å
578	K	91.1	Very high	91.5	Very high	14 Å²	14	48.7 Å²	48.7	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-86.5	-45.7	168.1	-63.4	-179.3	-173.6	168.1	0	110	L573 N575 P576 F580 K581 V582 I624 K625 W626 E628	L573-K578 HydrophobicContact CD1-CB 4.25Å; N575-K578 HydrophobicContact CB-CB 4.24Å; N575-K578 HydrophobicContact CB-CD 4.06Å; N575-K578 HydrophobicContact CB-CG 4.09Å; N575-K578 PolarHBondContact O-N 2.97Å; N575-K578 PolarHBondContact OD1-N 2.72Å; P576-K578 VanDerWaalsContact C-N 3.27Å; P576-K578 PolarHBondContact O-N 3.23Å; K578-F580 PolarHBondContact O-N 3.2Å; K578-K581 PolarHBondContact O-N 3.03Å; K578-K581 VanDerWaalsContact O-N 3.15Å; K578-V582 PolarHBondContact O-N 3.49Å; K578-V582 VanDerWaalsContact O-N 3.14Å; K578-I624 HydrophobicContact CD-CG2 4.3Å; K578-I624 HydrophobicContact CG-CG2 4.11Å; K578-K625 VanDerWaalsContact CE-O 3.23Å; K578-K625 WeakPolarHBondContact CE-O 3.38Å; K578-K625 PolarHBondContact NZ-O 3.15Å; K578-W626 HydrophobicContact CB-CH2 4.49Å; K578-W626 HydrophobicContact CB-CZ3 3.99Å; K578-W626 HydrophobicContact CD-CE3 3.86Å; K578-W626 HydrophobicContact CD-CZ3 3.94Å; K578-W626 HydrophobicContact CG-CZ3 4.38Å; K578-W626 PolarHBondContact NZ-O 3.09Å; K578-E628 VanDerWaalsContact CE-O 3.29Å; K578-E628 WeakPolarHBondContact CE-O 3.31Å; K578-E628 PolarHBondContact NZ-O 3.49Å
579	K	92.1	Very high	91.4	Very high	57 Å²	57	49.9 Å²	49.9	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-51.3	-55.5	172.3	-67.5	-177.7	-179.1	175.7	0	112.6	L573 Q574 N575 P576 K581 V582 E583 F666	L573-K579 HydrophobicContact CD1-CG 4.19Å; L573-K579 HydrophobicContact CG-CG 4.25Å; L573-K579 WeakPolarHBondContact O-CE 3.49Å; L573-K579 VanDerWaalsContact O-CG 3.32Å; L573-K579 WeakPolarHBondContact O-CG 3.34Å; Q574-K579 VanDerWaalsContact O-CE 3.25Å; Q574-K579 WeakPolarHBondContact O-CE 3.33Å; Q574-K579 PolarHBondContact O-NZ 3.02Å; N575-K579 PolarHBondContact O-N 2.86Å; P576-K579 PolarHBondContact O-N 3.39Å; K579-K581 PolarHBondContact O-N 3.34Å; K579-V582 WeakPolarHBondContact O-CB 3.43Å; K579-V582 PolarHBondContact O-N 3.42Å; K579-V582 VanDerWaalsContact O-N 3.08Å; K579-E583 PolarHBondContact O-N 2.92Å; K579-F666 HydrophobicContact CB-CE1 4Å; K579-F666 HydrophobicContact CB-CZ 3.76Å; K579-F666 HydrophobicContact CD-CE1 4.38Å; K579-F666 HydrophobicContact CG-CE1 3.97Å; K579-F666 HydrophobicContact CG-CZ 4.26Å
580	F	94.1	Very high	91.3	Very high	133 Å²	133	53.8 Å²	53.8	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-59.7	-32.2	-180	178.3	-102.9	0	0	0	113.2	P576 K578 A584	P576-F580 WeakPolarHBondContact O-CB 3.44Å; P576-F580 PolarHBondContact O-N 3.25Å; K578-F580 PolarHBondContact O-N 3.2Å; F580-A584 HydrophobicContact CD2-CB 4.46Å; F580-A584 HydrophobicContact CE1-CB 4.27Å; F580-A584 HydrophobicContact CE2-CB 4.12Å; F580-A584 HydrophobicContact CZ-CB 4.02Å; F580-A584 WeakPolarHBondContact O-CB 3.32Å; F580-A584 PolarHBondContact O-N 3.05Å
581	K	94.6	Very high	91.3	Very high	91 Å²	91	54 Å²	54	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-68.3	-43.6	175.2	-74.2	170.7	-169.6	170.1	0	111.6	A577 K578 K579 N585 I624	A577-K581 WeakPolarHBondContact O-CD 3.37Å; A577-K581 WeakPolarHBondContact O-CE 3.48Å; A577-K581 VanDerWaalsContact O-CG 3.24Å; A577-K581 WeakPolarHBondContact O-CG 3.25Å; K578-K581 PolarHBondContact O-N 3.03Å; K578-K581 VanDerWaalsContact O-N 3.15Å; K579-K581 PolarHBondContact O-N 3.34Å; K581-N585 VanDerWaalsContact O-CB 3.28Å; K581-N585 WeakPolarHBondContact O-CB 3.27Å; K581-N585 PolarHBondContact O-N 3.34Å; K581-N585 VanDerWaalsContact O-N 3.16Å; K581-N585 PolarHBondContact O-ND2 3.43Å; K581-I624 HydrophobicContact CB-CD1 3.95Å; K581-I624 HydrophobicContact CB-CG1 4.43Å; K581-I624 HydrophobicContact CD-CG1 4.21Å
582	V	94.7	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-56.9	176.1	169.6	0	0	0	0	109.7	K578 K579 A586 V595 V604 F616 M620 I624 W626 M664	K578-V582 PolarHBondContact O-N 3.49Å; K578-V582 VanDerWaalsContact O-N 3.14Å; K579-V582 WeakPolarHBondContact O-CB 3.43Å; K579-V582 PolarHBondContact O-N 3.42Å; K579-V582 VanDerWaalsContact O-N 3.08Å; V582-A586 WeakPolarHBondContact O-CB 3.4Å; V582-A586 PolarHBondContact O-N 2.83Å; V582-V595 HydrophobicContact CG1-CG2 3.95Å; V582-V604 HydrophobicContact CG1-CG1 3.94Å; V582-V604 HydrophobicContact CG1-CG2 4.45Å; V582-F616 HydrophobicContact CG1-CZ 4.21Å; V582-M620 HydrophobicContact CG2-CE 4.14Å; V582-M620 HydrophobicContact CG2-SD 3.91Å; V582-I624 HydrophobicContact CG2-CD1 4.21Å; V582-W626 HydrophobicContact CG2-CH2 4.27Å; V582-M664 HydrophobicContact CG1-CE 3.94Å
583	E	94.3	Very high	92	Very high	71 Å²	71	48.9 Å²	48.9	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-59.2	-179.2	-176.3	179.4	-145.5	0	0	113	K579 N585 A586 N587 F666	K579-E583 PolarHBondContact O-N 2.92Å; E583-N585 VanDerWaalsContact C-N 3.28Å; E583-N585 PolarHBondContact O-N 3.31Å; E583-A586 WeakPolarHBondContact O-CB 3.33Å; E583-A586 PolarHBondContact O-N 3.42Å; E583-A586 VanDerWaalsContact O-N 3.08Å; E583-N587 PolarHBondContact O-N 3.49Å; E583-N587 PolarHBondContact O-OD1 3.43Å; E583-F666 HydrophobicContact CB-CE2 3.8Å; E583-F666 HydrophobicContact CB-CZ 4.15Å; E583-F666 HydrophobicContact CG-CE2 4.08Å
584	A	94.8	Very high	92.3	Very high	15 Å²	15	49 Å²	49	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-30.2	-173.9	0	0	0	0	0	112.6	F580 Q588	F580-A584 HydrophobicContact CD2-CB 4.46Å; F580-A584 HydrophobicContact CE1-CB 4.27Å; F580-A584 HydrophobicContact CE2-CB 4.12Å; F580-A584 HydrophobicContact CZ-CB 4.02Å; F580-A584 WeakPolarHBondContact O-CB 3.32Å; F580-A584 PolarHBondContact O-N 3.05Å; A584-Q588 WeakPolarHBondContact O-CB 3.34Å; A584-Q588 WeakPolarHBondContact O-CG 3.33Å; A584-Q588 PolarHBondContact O-N 2.96Å; A584-Q588 VanDerWaalsContact O-N 3.1Å; A584-Q588 PolarHBondContact O-NE2 2.84Å
585	N	95.6	Very high	92.8	Very high	30 Å²	30	43 Å²	43	16%	0.16	22%	0.218	C	C	.	.	H	α-helix	trans	-78.5	-31.5	175	-73.7	-112.5	0	0	0	112	K581 E583 L589 L619 R623	K581-N585 VanDerWaalsContact O-CB 3.28Å; K581-N585 WeakPolarHBondContact O-CB 3.27Å; K581-N585 PolarHBondContact O-N 3.34Å; K581-N585 VanDerWaalsContact O-N 3.16Å; K581-N585 PolarHBondContact O-ND2 3.43Å; E583-N585 VanDerWaalsContact C-N 3.28Å; E583-N585 PolarHBondContact O-N 3.31Å; N585-L589 VanDerWaalsContact O-CB 3.29Å; N585-L589 WeakPolarHBondContact O-CB 3.44Å; N585-L589 WeakPolarHBondContact O-CD1 3.36Å; N585-L589 WeakPolarHBondContact O-CG 3.38Å; N585-L589 PolarHBondContact O-N 2.9Å; N585-L619 HydrophobicContact CB-CD2 3.41Å; N585-L619 VanDerWaalsContact CB-CD2 3.41Å; N585-R623 PolarHBondContact OD1-NH1 3.26Å
586	A	94.7	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-53.8	172.8	0	0	0	0	0	110.3	V582 E583 Q588 L589 Y590 L591 F616 M664	V582-A586 WeakPolarHBondContact O-CB 3.4Å; V582-A586 PolarHBondContact O-N 2.83Å; E583-A586 WeakPolarHBondContact O-CB 3.33Å; E583-A586 PolarHBondContact O-N 3.42Å; E583-A586 VanDerWaalsContact O-N 3.08Å; A586-Q588 PolarHBondContact O-N 2.9Å; A586-L589 CarbonylContact O-C 3.55Å; A586-L589 PolarHBondContact O-N 3.24Å; A586-Y590 PolarHBondContact O-N 2.88Å; A586-Y590 VanDerWaalsContact O-N 3.16Å; A586-L591 HydrophobicContact CB-CB 4.31Å; A586-L591 PolarHBondContact O-N 3.22Å; A586-F616 HydrophobicContact CB-CE2 4.08Å; A586-M664 HydrophobicContact CB-CB 4.12Å; A586-M664 HydrophobicContact CB-CE 4.49Å; A586-M664 HydrophobicContact CB-CG 4.06Å
587	N	92.7	Very high	93.3	Very high	47 Å²	47	38 Å²	38	25%	0.251	19%	0.186	S	C	.	.	H	α-helix	trans	-68.5	-36.9	-175.5	-56.7	15.7	0	0	0	111.2	E583 L589 Y590 E663 M664	E583-N587 PolarHBondContact O-N 3.49Å; E583-N587 PolarHBondContact O-OD1 3.43Å; N587-L589 PolarHBondContact O-N 3.36Å; N587-Y590 PolarHBondContact O-N 3.4Å; N587-E663 PolarHBondContact ND2-OE1 2.86Å; N587-M664 VanDerWaalsContact OD1-CB 3.29Å; N587-M664 WeakPolarHBondContact OD1-CB 3.38Å
588	Q	91.3	Very high	93.2	Very high	133 Å²	133	37 Å²	37	62%	0.621	17%	0.173	S	C	*	.	H	α-helix	trans	-66.1	-18.1	172.5	-75	170.5	32.1	0	0	114.5	A584 A586	A584-Q588 WeakPolarHBondContact O-CB 3.34Å; A584-Q588 WeakPolarHBondContact O-CG 3.33Å; A584-Q588 PolarHBondContact O-N 2.96Å; A584-Q588 VanDerWaalsContact O-N 3.1Å; A584-Q588 PolarHBondContact O-NE2 2.84Å; A586-Q588 PolarHBondContact O-N 2.9Å
589	L	92.3	Very high	92.6	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.126	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.2	176.9	-70.2	175.7	0	0	0	113.2	L555 N585 A586 N587 L591 A612 K615 F616	L555-L589 HydrophobicContact CD2-CD2 4.39Å; N585-L589 VanDerWaalsContact O-CB 3.29Å; N585-L589 WeakPolarHBondContact O-CB 3.44Å; N585-L589 WeakPolarHBondContact O-CD1 3.36Å; N585-L589 WeakPolarHBondContact O-CG 3.38Å; N585-L589 PolarHBondContact O-N 2.9Å; A586-L589 CarbonylContact O-C 3.55Å; A586-L589 PolarHBondContact O-N 3.24Å; N587-L589 PolarHBondContact O-N 3.36Å; L589-L591 HydrophobicContact CB-CD1 3.85Å; L589-L591 HydrophobicContact CB-CG 3.91Å; L589-L591 HydrophobicContact CD1-CD1 3.98Å; L589-L591 PolarHBondContact O-N 2.94Å; L589-A612 HydrophobicContact CB-CB 4.23Å; L589-K615 HydrophobicContact CD1-CB 3.99Å; L589-K615 HydrophobicContact CD2-CD 3.65Å; L589-F616 HydrophobicContact CD1-CB 4.49Å
590	Y	90.8	Very high	91.9	Very high	96 Å²	96	45.6 Å²	45.6	38%	0.376	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	30	-172.4	-61.2	-79.3	0	0	0	114.1	V552 L555 A586 N587 R659	V552-Y590 HydrophobicContact CB-CE2 4.27Å; V552-Y590 HydrophobicContact CG1-CE2 3.9Å; V552-Y590 HydrophobicContact CG2-CE2 3.91Å; V552-Y590 WeakPolarHBondContact CG2-OH 3.48Å; L555-Y590 HydrophobicContact CB-CD2 3.97Å; L555-Y590 HydrophobicContact CD1-CD2 4.09Å; L555-Y590 HydrophobicContact CD1-CE2 4.32Å; A586-Y590 PolarHBondContact O-N 2.88Å; A586-Y590 VanDerWaalsContact O-N 3.16Å; N587-Y590 PolarHBondContact O-N 3.4Å; Y590-R659 PolarHBondContact O-NH2 3.27Å
591	L	92.7	Very high	91.5	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	19%	0.19	C	C	.	.			trans	-79.7	140.3	171	-63.9	168.4	0	0	0	109.7	A586 L589 V606 E607 A612 Q613 F616	A586-L591 HydrophobicContact CB-CB 4.31Å; A586-L591 PolarHBondContact O-N 3.22Å; L589-L591 HydrophobicContact CB-CD1 3.85Å; L589-L591 HydrophobicContact CB-CG 3.91Å; L589-L591 HydrophobicContact CD1-CD1 3.98Å; L589-L591 PolarHBondContact O-N 2.94Å; L591-V606 HydrophobicContact CB-CG1 3.72Å; L591-V606 HydrophobicContact CD1-CG1 3.77Å; L591-V606 HydrophobicContact CD2-CG1 4.26Å; L591-V606 HydrophobicContact CG-CG1 4.11Å; L591-E607 CarbonylContact C-O 3.58Å; L591-E607 VanDerWaalsContact CA-O 3.31Å; L591-E607 WeakPolarHBondContact CA-O 3.49Å; L591-E607 WeakPolarHBondContact CD2-O 3.48Å; L591-A612 HydrophobicContact CD1-CB 4.31Å; L591-A612 HydrophobicContact CD2-CB 3.58Å; L591-A612 HydrophobicContact CG-CB 3.98Å; L591-Q613 HydrophobicContact CD2-CG 4.32Å; L591-F616 HydrophobicContact CD1-CB 3.72Å; L591-F616 HydrophobicContact CD1-CD2 3.78Å; L591-F616 HydrophobicContact CD1-CG 3.9Å
592	T	93.1	Very high	91.3	Very high	15 Å²	15	35.5 Å²	35.5	9%	0.092	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	167.8	172.6	44.8	0	0	0	0	109.6	V606 E607 R659 F661 G662	T592-V606 CarbonylContact O-C 3.35Å; T592-V606 WeakPolarHBondContact O-CA 3.41Å; T592-E607 PolarHBondContact N-O 2.84Å; T592-E607 PolarHBondContact O-N 3.08Å; T592-E607 WeakPolarHBondContact OG1-CB 3.47Å; T592-E607 PolarHBondContact OG1-O 3.18Å; T592-E607 PolarHBondContact OG1-OE2 3.46Å; T592-R659 VanDerWaalsContact OG1-CZ 3.29Å; T592-R659 PolarHBondContact OG1-NE 3.47Å; T592-R659 PolarHBondContact OG1-NH2 2.69Å; T592-F661 VanDerWaalsContact CB-O 3.28Å; T592-F661 WeakPolarHBondContact CB-O 3.25Å; T592-G662 VanDerWaalsContact CA-O 3.27Å; T592-G662 WeakPolarHBondContact CA-O 3.47Å; T592-G662 WeakPolarHBondContact CB-O 3.41Å; T592-G662 VanDerWaalsContact CG2-O 3.27Å; T592-G662 WeakPolarHBondContact CG2-O 3.28Å
593	G	94.1	Very high	91.3	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151	-166.2	177.8	0	0	0	0	0	115.8	V605 F661 G662 M664	G593-V605 VanDerWaalsContact CA-O 3.24Å; G593-V605 WeakPolarHBondContact CA-O 3.44Å; G593-F661 VanDerWaalsContact CA-CB 3.46Å; G593-G662 PolarHBondContact N-O 3.18Å; G593-G662 VanDerWaalsContact N-O 3.12Å; G593-M664 VanDerWaalsContact C-SD 3.52Å; G593-M664 WeakPolarHBondContact O-CA 3.27Å
594	T	94.3	Very high	91.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.7	173.4	-170.1	0	0	0	0	112	V596 V605 F661 M664 K665 H678 F679	T594-V596 HydrophobicContact CG2-CG2 4.44Å; T594-V605 PolarHBondContact N-O 2.91Å; T594-V605 PolarHBondContact O-N 2.92Å; T594-F661 HydrophobicContact CG2-CD1 3.93Å; T594-F661 HydrophobicContact CG2-CE1 3.43Å; T594-F661 VanDerWaalsContact CG2-CE1 3.43Å; T594-F661 HydrophobicContact CG2-CE2 4.43Å; T594-F661 HydrophobicContact CG2-CZ 3.73Å; T594-M664 PolarHBondContact N-SD 3.2Å; T594-K665 WeakPolarHBondContact CA-O 3.46Å; T594-K665 PolarHBondContact OG1-O 3.35Å; T594-H678 PolarHBondContact OG1-CE1 2.87Å; T594-F679 HydrophobicContact CG2-CE1 3.7Å; T594-F679 HydrophobicContact CG2-CZ 3.84Å
595	V	94.9	Very high	91.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.5	168.1	-177.4	0	0	0	0	108.9	L573 V582 L597 I603 V604 M664 K665 F666 K667	L573-V595 HydrophobicContact CD2-CG1 3.57Å; V582-V595 HydrophobicContact CG1-CG2 3.95Å; V595-L597 HydrophobicContact CG1-CD2 3.79Å; V595-L597 HydrophobicContact CG1-CG 4.38Å; V595-I603 CarbonylContact C-O 3.59Å; V595-I603 VanDerWaalsContact CA-O 3.29Å; V595-I603 WeakPolarHBondContact CA-O 3.33Å; V595-V604 HydrophobicContact CG1-CG2 3.93Å; V595-V604 HydrophobicContact CG2-CG1 4.26Å; V595-V604 HydrophobicContact CG2-CG2 4.05Å; V595-M664 HydrophobicContact CG2-CE 3.48Å; V595-M664 VanDerWaalsContact CG2-CE 3.48Å; V595-M664 HydrophobicContact CG2-SD 3.96Å; V595-K665 PolarHBondContact N-O 3.1Å; V595-F666 HydrophobicContact CB-CD1 3.5Å; V595-F666 VanDerWaalsContact CB-CD1 3.5Å; V595-F666 HydrophobicContact CB-CE1 3.74Å; V595-F666 HydrophobicContact CB-CG 4.22Å; V595-F666 HydrophobicContact CG1-CD1 3.57Å; V595-F666 HydrophobicContact CG1-CE1 3.66Å; V595-F666 HydrophobicContact CG2-CD1 4.06Å; V595-F666 HydrophobicContact CG2-CE1 3.82Å; V595-F666 HydrophobicContact CG2-CZ 4.32Å; V595-F666 CarbonylContact O-C 3.53Å; V595-F666 WeakPolarHBondContact O-CA 2.78Å; V595-K667 PolarHBondContact O-N 2.81Å
596	V	93.7	Very high	91.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.2	172.3	179.4	0	0	0	0	109.5	T594 N602 I603 K667 C669 A675 F679 W688	T594-V596 HydrophobicContact CG2-CG2 4.44Å; V596-N602 WeakPolarHBondContact O-CA 3.38Å; V596-I603 PolarHBondContact N-O 3.25Å; V596-I603 PolarHBondContact O-N 3.37Å; V596-K667 CarbonylContact C-O 3.57Å; V596-K667 WeakPolarHBondContact CA-O 3.34Å; V596-K667 HydrophobicContact CG2-CB 4.48Å; V596-C669 HydrophobicContact CG1-CB 4.01Å; V596-A675 HydrophobicContact CG1-CB 3.82Å; V596-F679 HydrophobicContact CB-CE2 3.98Å; V596-F679 HydrophobicContact CB-CZ 4.4Å; V596-F679 HydrophobicContact CG2-CD2 4.29Å; V596-F679 HydrophobicContact CG2-CE2 3.39Å; V596-F679 HydrophobicContact CG2-CZ 3.7Å; V596-W688 HydrophobicContact CG1-CZ3 4.08Å
597	L	92.3	Very high	91.3	Very high	18 Å²	18	30 Å²	30	9%	0.094	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114	178	-56.2	177	0	0	0	109.5	L573 V595 N602 F666 K667 C669	L573-L597 HydrophobicContact CB-CD2 3.98Å; L573-L597 HydrophobicContact CD2-CD2 3.91Å; L573-L597 HydrophobicContact CG-CD2 3.92Å; V595-L597 HydrophobicContact CG1-CD2 3.79Å; V595-L597 HydrophobicContact CG1-CG 4.38Å; L597-N602 WeakPolarHBondContact CA-OD1 3.41Å; L597-N602 HydrophobicContact CD2-CB 4.4Å; L597-N602 WeakPolarHBondContact CD2-OD1 3.28Å; L597-F666 HydrophobicContact CD1-CD1 4.22Å; L597-F666 HydrophobicContact CD2-CD1 4.42Å; L597-F666 HydrophobicContact CG-CD1 4.39Å; L597-K667 PolarHBondContact N-O 3.06Å; L597-C669 PolarHBondContact O-N 3.24Å
598	H	88.5	Confident	91.3	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.111	13%	0.131	C	C	.	.			trans	-120.6	173	170.3	-167.5	63.4	0	0	0	109.5	V601 N602 C669 P670 E672 W688	H598-V601 WeakPolarHBondContact CB-O 3.41Å; H598-N602 PolarHBondContact O-ND2 3.14Å; H598-N602 PolarHBondContact O-OD1 3.14Å; H598-C669 PolarHBondContact ND1-O 3.43Å; H598-P670 PolarHBondContact CE1-O 3.44Å; H598-P670 VanDerWaalsContact CE1-O 3.28Å; H598-E672 IonicContact NE2-OE1 2.64Å; H598-W688 HydrophobicContact CB-CH2 4.13Å
599	K	78.8	Confident	91.2	Very high	148 Å²	148	21.6 Å²	21.6	64%	0.643	10%	0.103	S	C	*	.	S	Bend	trans	-59.4	-52	-173	-68.1	-175.5	179.4	-179	0	112.5
600	D	77.3	Confident	91.1	Very high	103 Å²	103	23 Å²	23	55%	0.551	11%	0.114	S	C	*	.	S	Bend	trans	-118.1	-10.4	-173.1	-49.8	-77.7	0	0	0	113.9	R571	R571-D600 CarbonylContact O-C 3.6Å
601	V	85.9	Confident	91.1	Very high	7 Å²	7	24 Å²	24	4%	0.042	12%	0.12	C	C	.	.			trans	-132.6	87.4	-173.7	-171.4	0	0	0	0	110	R569 H598 I603 L692 S695	R569-V601 HydrophobicContact CG-CG1 4.47Å; H598-V601 WeakPolarHBondContact CB-O 3.41Å; V601-I603 HydrophobicContact CG1-CG1 4.25Å; V601-L692 HydrophobicContact CG2-CD1 4.46Å; V601-S695 WeakPolarHBondContact CG2-OG 3.38Å
602	N	91.4	Very high	91.1	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.027	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.3	175.7	-61	-98.7	0	0	0	108.9	R569 I570 R571 L573 V596 L597 H598	R569-N602 WeakPolarHBondContact CA-O 3.49Å; I570-N602 HydrophobicContact CB-CB 4.38Å; I570-N602 PolarHBondContact N-O 3.39Å; I570-N602 VanDerWaalsContact O-CB 3.31Å; I570-N602 WeakPolarHBondContact O-CB 3.45Å; I570-N602 PolarHBondContact O-N 3.43Å; I570-N602 PolarHBondContact O-ND2 3.13Å; R571-N602 PolarHBondContact O-ND2 3.13Å; L573-N602 HydrophobicContact CB-CB 3.7Å; L573-N602 HydrophobicContact CD2-CB 4.34Å; L573-N602 PolarHBondContact N-ND2 3.22Å; V596-N602 WeakPolarHBondContact O-CA 3.38Å; L597-N602 WeakPolarHBondContact CA-OD1 3.41Å; L597-N602 HydrophobicContact CD2-CB 4.4Å; L597-N602 WeakPolarHBondContact CD2-OD1 3.28Å; H598-N602 PolarHBondContact O-ND2 3.14Å; H598-N602 PolarHBondContact O-OD1 3.14Å
603	I	93.5	Very high	91.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.9	179.3	-53.2	-174.4	0	0	0	110.1	V567 Y568 V595 V596 V601 V605 F679 W688 A691	V567-I603 HydrophobicContact CG1-CG2 3.89Å; Y568-I603 WeakPolarHBondContact O-CA 3.34Å; V595-I603 CarbonylContact C-O 3.59Å; V595-I603 VanDerWaalsContact CA-O 3.29Å; V595-I603 WeakPolarHBondContact CA-O 3.33Å; V596-I603 PolarHBondContact N-O 3.25Å; V596-I603 PolarHBondContact O-N 3.37Å; V601-I603 HydrophobicContact CG1-CG1 4.25Å; I603-V605 HydrophobicContact CG2-CG2 3.69Å; I603-F679 HydrophobicContact CG2-CZ 4.42Å; I603-W688 HydrophobicContact CD1-CB 4.47Å; I603-W688 HydrophobicContact CD1-CD2 4.07Å; I603-W688 HydrophobicContact CD1-CE3 3.29Å; I603-W688 HydrophobicContact CD1-CZ3 3.69Å; I603-W688 HydrophobicContact CG1-CE3 4.12Å; I603-W688 HydrophobicContact CG1-CZ3 4.04Å; I603-A691 HydrophobicContact CD1-CB 3.31Å; I603-A691 HydrophobicContact CG1-CB 3.99Å
604	V	95.2	Very high	91	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	102.6	171.9	176.5	0	0	0	0	107.4	Y568 I570 L573 V582 V595 V606 F616 M620 M664	Y568-V604 HydrophobicContact CD2-CB 4.41Å; Y568-V604 HydrophobicContact CD2-CG1 4.27Å; Y568-V604 WeakPolarHBondContact CD2-O 3.21Å; Y568-V604 PolarHBondContact N-O 3.42Å; Y568-V604 PolarHBondContact O-N 3.28Å; I570-V604 HydrophobicContact CD1-CG2 3.9Å; L573-V604 HydrophobicContact CD2-CG2 3.76Å; V582-V604 HydrophobicContact CG1-CG1 3.94Å; V582-V604 HydrophobicContact CG1-CG2 4.45Å; V595-V604 HydrophobicContact CG1-CG2 3.93Å; V595-V604 HydrophobicContact CG2-CG1 4.26Å; V595-V604 HydrophobicContact CG2-CG2 4.05Å; V604-V606 HydrophobicContact CG1-CG2 3.74Å; V604-F616 HydrophobicContact CG1-CE1 4.31Å; V604-F616 HydrophobicContact CG1-CZ 4.37Å; V604-M620 HydrophobicContact CB-CE 4.17Å; V604-M620 HydrophobicContact CG1-CE 3.95Å; V604-M620 HydrophobicContact CG2-CE 4.16Å; V604-M664 HydrophobicContact CG1-CE 3.87Å
605	V	95.7	Very high	91.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.8	173.8	-177.7	0	0	0	0	108.7	V565 V567 G593 T594 I603 F661 F679 Y687	V565-V605 HydrophobicContact CG1-CG1 4.16Å; V567-V605 HydrophobicContact CG1-CG2 4.28Å; V567-V605 HydrophobicContact CG2-CG1 4.26Å; V567-V605 HydrophobicContact CG2-CG2 4.13Å; G593-V605 VanDerWaalsContact CA-O 3.24Å; G593-V605 WeakPolarHBondContact CA-O 3.44Å; T594-V605 PolarHBondContact N-O 2.91Å; T594-V605 PolarHBondContact O-N 2.92Å; I603-V605 HydrophobicContact CG2-CG2 3.69Å; V605-F661 HydrophobicContact CG1-CD2 4.36Å; V605-F661 HydrophobicContact CG1-CE2 3.94Å; V605-F679 HydrophobicContact CB-CE1 4.36Å; V605-F679 HydrophobicContact CG2-CE1 3.58Å; V605-F679 HydrophobicContact CG2-CZ 3.82Å; V605-Y687 HydrophobicContact CG1-CD2 3.89Å; V605-Y687 HydrophobicContact CG1-CE2 4.11Å; V605-Y687 HydrophobicContact CG2-CD2 4.32Å
606	V	95.6	Very high	91.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.4	-174.7	-175.1	0	0	0	0	110.6	V565 T566 L591 T592 V604 Q613 F616 M664	V565-V606 CarbonylContact C-O 3.59Å; V565-V606 WeakPolarHBondContact CA-O 3.22Å; T566-V606 PolarHBondContact N-O 2.98Å; T566-V606 PolarHBondContact O-N 3.1Å; L591-V606 HydrophobicContact CB-CG1 3.72Å; L591-V606 HydrophobicContact CD1-CG1 3.77Å; L591-V606 HydrophobicContact CD2-CG1 4.26Å; L591-V606 HydrophobicContact CG-CG1 4.11Å; T592-V606 CarbonylContact O-C 3.35Å; T592-V606 WeakPolarHBondContact O-CA 3.41Å; V604-V606 HydrophobicContact CG1-CG2 3.74Å; V606-Q613 PolarHBondContact O-NE2 3.03Å; V606-F616 HydrophobicContact CB-CD1 4.42Å; V606-F616 HydrophobicContact CB-CE1 4.31Å; V606-F616 HydrophobicContact CG1-CD1 4.25Å; V606-F616 HydrophobicContact CG1-CE1 4.39Å; V606-F616 HydrophobicContact CG1-CG 4.38Å; V606-F616 HydrophobicContact CG2-CD1 4.17Å; V606-F616 HydrophobicContact CG2-CE1 3.58Å; V606-F616 HydrophobicContact CG2-CZ 3.85Å; V606-M664 HydrophobicContact CG2-CE 3.65Å
607	E	93.4	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.8	-172.3	-60.5	-178	147.2	0	0	112	V563 H564 V565 L591 T592 R659 S660 F661	V563-E607 HydrophobicContact CG1-CB 3.87Å; H564-E607 CarbonylContact O-C 3.55Å; H564-E607 WeakPolarHBondContact O-CA 3.27Å; V565-E607 HydrophobicContact CG1-CG 4.23Å; V565-E607 HydrophobicContact CG2-CB 4.48Å; V565-E607 HydrophobicContact CG2-CG 4.04Å; L591-E607 CarbonylContact C-O 3.58Å; L591-E607 VanDerWaalsContact CA-O 3.31Å; L591-E607 WeakPolarHBondContact CA-O 3.49Å; L591-E607 WeakPolarHBondContact CD2-O 3.48Å; T592-E607 PolarHBondContact N-O 2.84Å; T592-E607 PolarHBondContact O-N 3.08Å; T592-E607 WeakPolarHBondContact OG1-CB 3.47Å; T592-E607 PolarHBondContact OG1-O 3.18Å; T592-E607 PolarHBondContact OG1-OE2 3.46Å; E607-R659 PolarHBondContact O-NH2 3.34Å; E607-S660 WeakPolarHBondContact OE1-CB 3.43Å; E607-S660 PolarHBondContact OE1-N 2.59Å; E607-S660 PolarHBondContact OE2-N 3.22Å; E607-F661 HydrophobicContact CG-CD2 4.28Å; E607-F661 WeakPolarHBondContact OE1-CD2 3.43Å; E607-F661 PolarHBondContact OE1-N 3.03Å; E607-F661 PolarHBondContact OE2-N 3.31Å; E607-F661 VanDerWaalsContact OE2-N 3.09Å
608	G	92.1	Very high	91.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.9	-157.8	167.9	0	0	0	0	0	113.8	H564	H564-G608 WeakPolarHBondContact CA-O 3.32Å; H564-G608 WeakPolarHBondContact CB-O 3.17Å; H564-G608 PolarHBondContact N-O 3.13Å; H564-G608 PolarHBondContact O-N 2.86Å; H564-G608 VanDerWaalsContact O-O 3.04Å
609	G	90.5	Very high	91.8	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	21%	0.205	C	C	.	.			trans	-70.5	149.7	-171.6	0	0	0	0	0	114.8	D558 K611 A612 Q613	D558-G609 WeakPolarHBondContact O-CA 3.37Å; G609-K611 VanDerWaalsContact C-N 3.32Å; G609-K611 PolarHBondContact O-N 3.36Å; G609-A612 WeakPolarHBondContact O-CA 3.5Å; G609-A612 WeakPolarHBondContact O-CB 3.45Å; G609-A612 PolarHBondContact O-N 3.22Å; G609-Q613 PolarHBondContact O-N 3.39Å
610	P	90.2	Very high	92.5	Very high	54 Å²	54	38.2 Å²	38.2	35%	0.351	17%	0.174	S	C	.	.	H	α-helix	trans	-65	-32.4	-169.8	22.3	-30.2	0	0	0	113.2	D558 A612 Q613 K614	D558-P610 WeakPolarHBondContact O-CD 3.29Å; P610-A612 VanDerWaalsContact C-N 3.25Å; P610-A612 PolarHBondContact O-N 2.9Å; P610-Q613 PolarHBondContact O-N 3.3Å; P610-K614 WeakPolarHBondContact O-CB 3.5Å; P610-K614 PolarHBondContact O-N 2.77Å
611	K	89.9	Confident	93.2	Very high	116 Å²	116	36.6 Å²	36.6	50%	0.504	16%	0.164	S	C	.	.	H	α-helix	trans	-75.1	-15.1	176	-37	-178.9	-177.6	71.7	0	112.4	D558 G609 K615	D558-K611 IonicContact OD1-NZ 2.8Å; D558-K611 PolarHBondContact OD1-NZ 3.18Å; D558-K611 WeakPolarHBondContact OD2-CB 3.29Å; D558-K611 WeakPolarHBondContact OD2-CD 3.42Å; D558-K611 WeakPolarHBondContact OD2-CG 3.25Å; D558-K611 IonicContact OD2-NZ 3.19Å; G609-K611 VanDerWaalsContact C-N 3.32Å; G609-K611 PolarHBondContact O-N 3.36Å; K611-K615 WeakPolarHBondContact O-CD 3.2Å; K611-K615 WeakPolarHBondContact O-CE 3.36Å; K611-K615 WeakPolarHBondContact O-CG 3.43Å; K611-K615 PolarHBondContact O-NZ 3.29Å
612	A	92.3	Very high	93.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-85.7	-48.2	169.4	0	0	0	0	0	109.9	L589 L591 G609 P610 K614 K615 F616	L589-A612 HydrophobicContact CB-CB 4.23Å; L591-A612 HydrophobicContact CD1-CB 4.31Å; L591-A612 HydrophobicContact CD2-CB 3.58Å; L591-A612 HydrophobicContact CG-CB 3.98Å; G609-A612 WeakPolarHBondContact O-CA 3.5Å; G609-A612 WeakPolarHBondContact O-CB 3.45Å; G609-A612 PolarHBondContact O-N 3.22Å; P610-A612 VanDerWaalsContact C-N 3.25Å; P610-A612 PolarHBondContact O-N 2.9Å; A612-K614 PolarHBondContact O-N 3.29Å; A612-K615 WeakPolarHBondContact O-CB 3.29Å; A612-K615 PolarHBondContact O-N 3.32Å; A612-F616 PolarHBondContact O-N 2.79Å
613	Q	93.1	Very high	93.7	Very high	2 Å²	2	50 Å²	50	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-55	-46.4	175.5	-67.5	-69	19	0	0	112.7	H564 T566 L591 V606 G609 P610 K615 F616 K617	H564-Q613 HydrophobicContact CB-CG 3.94Å; H564-Q613 PolarHBondContact O-NE2 2.97Å; T566-Q613 PolarHBondContact OG1-OE1 2.93Å; L591-Q613 HydrophobicContact CD2-CG 4.32Å; V606-Q613 PolarHBondContact O-NE2 3.03Å; G609-Q613 PolarHBondContact O-N 3.39Å; P610-Q613 PolarHBondContact O-N 3.3Å; Q613-K615 PolarHBondContact O-N 2.94Å; Q613-K615 VanDerWaalsContact O-N 3.1Å; Q613-F616 CarbonylContact O-C 3.6Å; Q613-F616 WeakPolarHBondContact O-CA 3.4Å; Q613-F616 PolarHBondContact O-N 3.15Å; Q613-K617 PolarHBondContact O-N 3.26Å
614	K	93.5	Very high	93.7	Very high	174 Å²	174	50.2 Å²	50.2	76%	0.757	22%	0.221	S	C	*	.	H	α-helix	trans	-61.2	-24.3	178	-165.8	161.9	-172.4	162.8	0	113.9	P610 A612	P610-K614 WeakPolarHBondContact O-CB 3.5Å; P610-K614 PolarHBondContact O-N 2.77Å; A612-K614 PolarHBondContact O-N 3.29Å
615	K	94.4	Very high	93.5	Very high	92 Å²	92	55.3 Å²	55.3	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-81	-34.2	171.6	-61.2	168.4	-169.6	124	0	111.8	L589 K611 A612 Q613 L619	L589-K615 HydrophobicContact CD1-CB 3.99Å; L589-K615 HydrophobicContact CD2-CD 3.65Å; K611-K615 WeakPolarHBondContact O-CD 3.2Å; K611-K615 WeakPolarHBondContact O-CE 3.36Å; K611-K615 WeakPolarHBondContact O-CG 3.43Å; K611-K615 PolarHBondContact O-NZ 3.29Å; A612-K615 WeakPolarHBondContact O-CB 3.29Å; A612-K615 PolarHBondContact O-N 3.32Å; Q613-K615 PolarHBondContact O-N 2.94Å; Q613-K615 VanDerWaalsContact O-N 3.1Å; K615-L619 PolarHBondContact O-N 3.33Å
616	F	95.9	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.7	-45.6	178.9	-163	-88.3	0	0	0	112.1	Y568 V582 A586 L589 L591 V604 V606 A612 Q613 R618 L619 M620	Y568-F616 HydrophobicContact CD2-CE1 4.3Å; Y568-F616 AromaticContact CE2-CD1 3.81Å; Y568-F616 HydrophobicContact CE2-CD1 3.81Å; Y568-F616 AromaticContact CE2-CE1 3.81Å; Y568-F616 HydrophobicContact CE2-CE1 3.81Å; V582-F616 HydrophobicContact CG1-CZ 4.21Å; A586-F616 HydrophobicContact CB-CE2 4.08Å; L589-F616 HydrophobicContact CD1-CB 4.49Å; L591-F616 HydrophobicContact CD1-CB 3.72Å; L591-F616 HydrophobicContact CD1-CD2 3.78Å; L591-F616 HydrophobicContact CD1-CG 3.9Å; V604-F616 HydrophobicContact CG1-CE1 4.31Å; V604-F616 HydrophobicContact CG1-CZ 4.37Å; V606-F616 HydrophobicContact CB-CD1 4.42Å; V606-F616 HydrophobicContact CB-CE1 4.31Å; V606-F616 HydrophobicContact CG1-CD1 4.25Å; V606-F616 HydrophobicContact CG1-CE1 4.39Å; V606-F616 HydrophobicContact CG1-CG 4.38Å; V606-F616 HydrophobicContact CG2-CD1 4.17Å; V606-F616 HydrophobicContact CG2-CE1 3.58Å; V606-F616 HydrophobicContact CG2-CZ 3.85Å; A612-F616 PolarHBondContact O-N 2.79Å; Q613-F616 CarbonylContact O-C 3.6Å; Q613-F616 WeakPolarHBondContact O-CA 3.4Å; Q613-F616 PolarHBondContact O-N 3.15Å; F616-R618 VanDerWaalsContact C-N 3.25Å; F616-R618 PolarHBondContact O-N 3.13Å; F616-L619 HydrophobicContact CD2-CD2 4.16Å; F616-L619 HydrophobicContact CE2-CD2 3.98Å; F616-L619 CarbonylContact O-C 3.6Å; F616-L619 WeakPolarHBondContact O-CA 3.39Å; F616-L619 VanDerWaalsContact O-CB 3.24Å; F616-L619 WeakPolarHBondContact O-CB 3.49Å; F616-L619 PolarHBondContact O-N 3.4Å; F616-M620 HydrophobicContact CD1-CG 3.66Å; F616-M620 HydrophobicContact CD1-SD 4.46Å; F616-M620 HydrophobicContact CE1-CE 4.3Å; F616-M620 HydrophobicContact CE1-CG 3.31Å; F616-M620 HydrophobicContact CE1-SD 3.6Å; F616-M620 VanDerWaalsContact CE1-SD 3.6Å; F616-M620 HydrophobicContact CZ-CG 4.05Å; F616-M620 HydrophobicContact CZ-SD 3.75Å; F616-M620 WeakPolarHBondContact O-CG 3.41Å; F616-M620 PolarHBondContact O-N 3.04Å
617	K	95.9	Very high	92.5	Very high	71 Å²	71	61.3 Å²	61.3	31%	0.309	27%	0.27	S	S	.	.	H	α-helix	trans	-52.3	-43.6	168.4	-175.6	168.9	175.3	170.3	0	111.5	Y568 Q613 L619 M620 M621 L650 E653	Y568-K617 WeakPolarHBondContact OH-CA 3.41Å; Y568-K617 PolarHBondContact OH-N 3.28Å; Q613-K617 PolarHBondContact O-N 3.26Å; K617-L619 PolarHBondContact O-N 3.46Å; K617-M620 PolarHBondContact O-N 3.14Å; K617-M621 HydrophobicContact CG-CG 4.25Å; K617-M621 WeakPolarHBondContact O-CB 3.4Å; K617-M621 WeakPolarHBondContact O-CG 3.09Å; K617-M621 PolarHBondContact O-N 3.14Å; K617-L650 HydrophobicContact CD-CD2 3.99Å; K617-L650 VanDerWaalsContact CE-CD2 3.46Å; K617-L650 VanDerWaalsContact NZ-CD2 3.31Å; K617-E653 IonicContact NZ-OE2 3.94Å; K617-E653 PolarHBondContact NZ-OE2 3.18Å
618	R	96.3	Very high	91.5	Very high	171 Å²	171	65.2 Å²	65.2	65%	0.645	29%	0.288	S	S	*	.	H	α-helix	trans	-69.8	-24.9	173.4	-170.1	169.8	-172.4	-178.9	4.7	114	F616 R623	F616-R618 VanDerWaalsContact C-N 3.25Å; F616-R618 PolarHBondContact O-N 3.13Å; R618-R623 WeakPolarHBondContact O-CG 3.26Å; R618-R623 PolarHBondContact O-N 3.45Å
619	L	95.9	Very high	90.1	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.016	31%	0.307	C	S	.	.	I	π-helix	trans	-67.7	-56	169	173.5	74.8	0	0	0	110	N585 K615 F616 K617 R623 I624	N585-L619 HydrophobicContact CB-CD2 3.41Å; N585-L619 VanDerWaalsContact CB-CD2 3.41Å; K615-L619 PolarHBondContact O-N 3.33Å; F616-L619 HydrophobicContact CD2-CD2 4.16Å; F616-L619 HydrophobicContact CE2-CD2 3.98Å; F616-L619 CarbonylContact O-C 3.6Å; F616-L619 WeakPolarHBondContact O-CA 3.39Å; F616-L619 VanDerWaalsContact O-CB 3.24Å; F616-L619 WeakPolarHBondContact O-CB 3.49Å; F616-L619 PolarHBondContact O-N 3.4Å; K617-L619 PolarHBondContact O-N 3.46Å; L619-R623 HydrophobicContact CD1-CB 4.21Å; L619-R623 PolarHBondContact O-N 2.92Å; L619-R623 VanDerWaalsContact O-N 3.1Å; L619-I624 HydrophobicContact CD1-CD1 4.07Å; L619-I624 HydrophobicContact CD1-CG1 3.88Å; L619-I624 HydrophobicContact CD2-CD1 4.31Å; L619-I624 HydrophobicContact CG-CD1 3.88Å; L619-I624 HydrophobicContact CG-CG1 4.08Å; L619-I624 PolarHBondContact O-N 3.22Å
620	M	94.6	Very high	88.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-63.9	-50.6	-173.8	-61.4	-58.6	-81.2	0	0	112.1	Y568 I570 V582 V604 F616 K617 I624 W626	Y568-M620 HydrophobicContact CD1-CB 3.93Å; Y568-M620 HydrophobicContact CD1-CG 4.18Å; Y568-M620 HydrophobicContact CD2-CE 4.29Å; Y568-M620 HydrophobicContact CD2-CG 4.29Å; Y568-M620 HydrophobicContact CE1-CB 3.82Å; Y568-M620 HydrophobicContact CE1-CG 4.02Å; Y568-M620 HydrophobicContact CE2-CG 4.16Å; Y568-M620 HydrophobicContact CG-CB 4.5Å; Y568-M620 HydrophobicContact CG-CE 4.16Å; Y568-M620 HydrophobicContact CG-CG 4.33Å; I570-M620 HydrophobicContact CD1-CE 3.8Å; V582-M620 HydrophobicContact CG2-CE 4.14Å; V582-M620 HydrophobicContact CG2-SD 3.91Å; V604-M620 HydrophobicContact CB-CE 4.17Å; V604-M620 HydrophobicContact CG1-CE 3.95Å; V604-M620 HydrophobicContact CG2-CE 4.16Å; F616-M620 HydrophobicContact CD1-CG 3.66Å; F616-M620 HydrophobicContact CD1-SD 4.46Å; F616-M620 HydrophobicContact CE1-CE 4.3Å; F616-M620 HydrophobicContact CE1-CG 3.31Å; F616-M620 HydrophobicContact CE1-SD 3.6Å; F616-M620 VanDerWaalsContact CE1-SD 3.6Å; F616-M620 HydrophobicContact CZ-CG 4.05Å; F616-M620 HydrophobicContact CZ-SD 3.75Å; F616-M620 WeakPolarHBondContact O-CG 3.41Å; F616-M620 PolarHBondContact O-N 3.04Å; K617-M620 PolarHBondContact O-N 3.14Å; M620-I624 HydrophobicContact SD-CD1 4.26Å; M620-W626 HydrophobicContact CE-CH2 4.29Å; M620-W626 HydrophobicContact CE-CZ2 3.97Å; M620-W626 PolarHBondContact O-NE1 3.07Å; M620-W626 HydrophobicContact SD-CZ2 4.16Å
621	M	92.8	Very high	86.8	Confident	68 Å²	68	75.2 Å²	75.2	34%	0.335	34%	0.344	S	S	.	.	I	π-helix	trans	-83.8	-19.7	-171.4	-54.4	-53.9	-69.1	0	0	114.4	Y568 K617 C648 L650	Y568-M621 HydrophobicContact CD1-SD 4.2Å; Y568-M621 HydrophobicContact CE1-SD 4.35Å; K617-M621 HydrophobicContact CG-CG 4.25Å; K617-M621 WeakPolarHBondContact O-CB 3.4Å; K617-M621 WeakPolarHBondContact O-CG 3.09Å; K617-M621 PolarHBondContact O-N 3.14Å; M621-C648 WeakPolarHBondContact CE-O 3.34Å; M621-L650 HydrophobicContact SD-CB 4.41Å
622	H	93.4	Very high	85.1	Confident	146 Å²	146	78.8 Å²	78.8	68%	0.676	36%	0.36	S	S	*	.	I	π-helix	trans	-138	-22.7	-169.5	-54.8	-57.2	0	0	0	116.7
623	R	93.9	Very high	83.3	Confident	148 Å²	148	89.6 Å²	89.6	56%	0.558	40%	0.4	S	S	*	.	I	π-helix	trans	-103.1	-27.9	-177.8	-65	167.7	56.4	-142.4	-3.8	113.1	N585 R618 L619	N585-R623 PolarHBondContact OD1-NH1 3.26Å; R618-R623 WeakPolarHBondContact O-CG 3.26Å; R618-R623 PolarHBondContact O-N 3.45Å; L619-R623 HydrophobicContact CD1-CB 4.21Å; L619-R623 PolarHBondContact O-N 2.92Å; L619-R623 VanDerWaalsContact O-N 3.1Å
624	I	92.5	Very high	81.2	Confident	5 Å²	5	94.4 Å²	94.4	3%	0.026	43%	0.426	C	S	.	.	S	Bend	trans	-91.4	120.6	166.1	-56.6	175.9	0	0	0	106.5	K578 K581 V582 L619 M620 W626	K578-I624 HydrophobicContact CD-CG2 4.3Å; K578-I624 HydrophobicContact CG-CG2 4.11Å; K581-I624 HydrophobicContact CB-CD1 3.95Å; K581-I624 HydrophobicContact CB-CG1 4.43Å; K581-I624 HydrophobicContact CD-CG1 4.21Å; V582-I624 HydrophobicContact CG2-CD1 4.21Å; L619-I624 HydrophobicContact CD1-CD1 4.07Å; L619-I624 HydrophobicContact CD1-CG1 3.88Å; L619-I624 HydrophobicContact CD2-CD1 4.31Å; L619-I624 HydrophobicContact CG-CD1 3.88Å; L619-I624 HydrophobicContact CG-CG1 4.08Å; L619-I624 PolarHBondContact O-N 3.22Å; M620-I624 HydrophobicContact SD-CD1 4.26Å; I624-W626 HydrophobicContact CB-CH2 4.44Å; I624-W626 HydrophobicContact CB-CZ2 3.76Å; I624-W626 HydrophobicContact CD1-CH2 4.03Å; I624-W626 HydrophobicContact CD1-CZ2 3.78Å; I624-W626 HydrophobicContact CG1-CZ2 4.36Å; I624-W626 HydrophobicContact CG2-CD2 3.81Å; I624-W626 VanDerWaalsContact CG2-CE2 3.48Å; I624-W626 HydrophobicContact CG2-CE3 4.08Å; I624-W626 HydrophobicContact CG2-CG 4.47Å; I624-W626 HydrophobicContact CG2-CH2 3.78Å; I624-W626 HydrophobicContact CG2-CZ2 3.5Å; I624-W626 VanDerWaalsContact CG2-CZ2 3.5Å; I624-W626 HydrophobicContact CG2-CZ3 4.05Å; I624-W626 PolarHBondContact O-NE1 3.34Å
625	K	90.7	Very high	79.2	Confident	107 Å²	107	92.2 Å²	92.2	47%	0.465	42%	0.423	S	S	.	.			trans	-86	126.2	166.4	-75.2	-179	155.5	-146.6	0	108.5	K578 E628	K578-K625 VanDerWaalsContact CE-O 3.23Å; K578-K625 WeakPolarHBondContact CE-O 3.38Å; K578-K625 PolarHBondContact NZ-O 3.15Å; K625-E628 HydrophobicContact CB-CB 4.08Å; K625-E628 HydrophobicContact CB-CG 4.04Å; K625-E628 HydrophobicContact CD-CG 3.83Å; K625-E628 WeakPolarHBondContact CD-OE1 3.35Å; K625-E628 WeakPolarHBondContact CE-OE1 3.39Å; K625-E628 IonicContact NZ-OE1 2.7Å; K625-E628 PolarHBondContact NZ-OE1 2.96Å
626	W	87.3	Confident	77.2	Confident	11 Å²	11	93.5 Å²	93.5	4%	0.042	44%	0.44	C	S	.	.	S	Bend	trans	-90.4	-32.4	-172.5	-63.5	98.4	0	0	0	112	I570 L573 K578 V582 M620 I624 N646 C648	I570-W626 HydrophobicContact CD1-CE3 4.38Å; I570-W626 HydrophobicContact CD1-CH2 3.47Å; I570-W626 VanDerWaalsContact CD1-CH2 3.47Å; I570-W626 HydrophobicContact CD1-CZ2 3.91Å; I570-W626 HydrophobicContact CD1-CZ3 3.74Å; I570-W626 HydrophobicContact CG1-CE3 4.47Å; I570-W626 HydrophobicContact CG1-CH2 4.31Å; I570-W626 HydrophobicContact CG1-CZ2 4.49Å; I570-W626 HydrophobicContact CG1-CZ3 4.31Å; I570-W626 HydrophobicContact CG2-CE3 3.86Å; I570-W626 HydrophobicContact CG2-CZ3 4.01Å; L573-W626 HydrophobicContact CD1-CH2 4.15Å; L573-W626 HydrophobicContact CD1-CZ3 3.81Å; K578-W626 HydrophobicContact CB-CH2 4.49Å; K578-W626 HydrophobicContact CB-CZ3 3.99Å; K578-W626 HydrophobicContact CD-CE3 3.86Å; K578-W626 HydrophobicContact CD-CZ3 3.94Å; K578-W626 HydrophobicContact CG-CZ3 4.38Å; K578-W626 PolarHBondContact NZ-O 3.09Å; V582-W626 HydrophobicContact CG2-CH2 4.27Å; M620-W626 HydrophobicContact CE-CH2 4.29Å; M620-W626 HydrophobicContact CE-CZ2 3.97Å; M620-W626 PolarHBondContact O-NE1 3.07Å; M620-W626 HydrophobicContact SD-CZ2 4.16Å; I624-W626 HydrophobicContact CB-CH2 4.44Å; I624-W626 HydrophobicContact CB-CZ2 3.76Å; I624-W626 HydrophobicContact CD1-CH2 4.03Å; I624-W626 HydrophobicContact CD1-CZ2 3.78Å; I624-W626 HydrophobicContact CG1-CZ2 4.36Å; I624-W626 HydrophobicContact CG2-CD2 3.81Å; I624-W626 VanDerWaalsContact CG2-CE2 3.48Å; I624-W626 HydrophobicContact CG2-CE3 4.08Å; I624-W626 HydrophobicContact CG2-CG 4.47Å; I624-W626 HydrophobicContact CG2-CH2 3.78Å; I624-W626 HydrophobicContact CG2-CZ2 3.5Å; I624-W626 VanDerWaalsContact CG2-CZ2 3.5Å; I624-W626 HydrophobicContact CG2-CZ3 4.05Å; I624-W626 PolarHBondContact O-NE1 3.34Å; W626-N646 CarbonylContact C-O 3.55Å; W626-N646 WeakPolarHBondContact CB-O 3.37Å; W626-N646 PolarHBondContact O-ND2 3.29Å; W626-C648 HydrophobicContact CD2-CB 3.98Å; W626-C648 HydrophobicContact CG-CB 3.85Å; W626-C648 HydrophobicContact CZ2-CB 4.35Å
627	E	83.4	Confident	75.1	Confident	115 Å²	115	101.2 Å²	101.2	54%	0.537	48%	0.481	S	S	.	.	S	Bend	trans	-66	-33.9	169.4	-44.3	95.6	-120.2	0	0	113.8	H629 N646	E627-H629 PolarHBondContact O-N 3.07Å; E627-N646 PolarHBondContact N-O 3.4Å
628	E	73	Confident	73.1	Confident	81 Å²	81	99 Å²	99	38%	0.379	48%	0.479	S	S	.	.			trans	-62.3	107.4	-173.5	-82.8	-175.9	-172.5	0	0	111.9	K117 K578 K625	K117-E628 IonicContact NZ-OE1 3.4Å; K117-E628 PolarHBondContact NZ-OE1 3.44Å; K117-E628 IonicContact NZ-OE2 2.69Å; K117-E628 PolarHBondContact NZ-OE2 3.35Å; K578-E628 VanDerWaalsContact CE-O 3.29Å; K578-E628 WeakPolarHBondContact CE-O 3.31Å; K578-E628 PolarHBondContact NZ-O 3.49Å; K625-E628 HydrophobicContact CB-CB 4.08Å; K625-E628 HydrophobicContact CB-CG 4.04Å; K625-E628 HydrophobicContact CD-CG 3.83Å; K625-E628 WeakPolarHBondContact CD-OE1 3.35Å; K625-E628 WeakPolarHBondContact CE-OE1 3.39Å; K625-E628 IonicContact NZ-OE1 2.7Å; K625-E628 PolarHBondContact NZ-OE1 2.96Å
629	H	63.1	Low	71.1	Confident	85 Å²	85	95.9 Å²	95.9	39%	0.394	48%	0.475	S	S	.	.			trans	-75	159.1	177.7	-175.2	80.3	0	0	0	112.3	E627 S631 D634	E627-H629 PolarHBondContact O-N 3.07Å; H629-S631 PolarHBondContact O-N 3.44Å; H629-D634 IonicContact CE1-OD2 2.81Å; H629-D634 PolarHBondContact CE1-OD2 3.32Å; H629-D634 IonicContact NE2-OD2 3.68Å
630	N	56	Low	69.1	Low	71 Å²	71	99 Å²	99	38%	0.38	49%	0.492	S	S	.	.			trans	-95.5	80.5	-176.4	-165.6	33.4	0	0	0	111.1	K632	N630-K632 PolarHBondContact O-N 2.96Å
631	S	54.6	Low	67.1	Low	112 Å²	112	104.3 Å²	104.3	78%	0.783	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	53	-167.6	49.9	0	0	0	0	116.7	H629	H629-S631 PolarHBondContact O-N 3.44Å
632	K	53.8	Low	65.4	Low	192 Å²	192	104.1 Å²	104.1	84%	0.835	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.9	-9.3	-179.9	-84.8	-155.3	170.2	-164.2	0	117.5	N630	N630-K632 PolarHBondContact O-N 2.96Å
633	R	54.5	Low	63.6	Low	227 Å²	227	100.2 Å²	100.2	86%	0.857	50%	0.502	S	S	*	.	S	Bend	trans	-146.7	-11	-170.3	-80.2	-159.3	174.4	-170	-2.6	119.9
634	D	50.6	Low	61.9	Low	103 Å²	103	100.7 Å²	100.7	55%	0.551	50%	0.504	S	S	*	.			trans	-101.7	145.7	-173.2	-58.6	-17.6	0	0	0	111.4	H629	H629-D634 IonicContact CE1-OD2 2.81Å; H629-D634 PolarHBondContact CE1-OD2 3.32Å; H629-D634 IonicContact NE2-OD2 3.68Å
635	D	51.3	Low	61	Low	129 Å²	129	104.6 Å²	104.6	69%	0.69	53%	0.525	S	S	*	.			trans	-60.6	154.3	179.8	-91.1	-72.4	0	0	0	113.4	D637 R643	D635-D637 PolarHBondContact O-N 2.82Å; D635-R643 PolarHBondContact O-NH2 2.87Å
636	P	51.6	Low	60.7	Low	119 Å²	119	100 Å²	100	77%	0.773	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-25	173.7	28.7	-34.8	0	0	0	112.6	G638	P636-G638 PolarHBondContact O-N 3.32Å
637	D	52.5	Low	60.7	Low	161 Å²	161	105.2 Å²	105.2	86%	0.861	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	23.3	-173.1	-151.3	36.7	0	0	0	114.4	D635	D635-D637 PolarHBondContact O-N 2.82Å
638	G	52.8	Low	61	Low	25 Å²	25	100 Å²	100	26%	0.258	51%	0.505	S	S	.	.	S	Bend	trans	-106.9	111.3	-179.9	0	0	0	0	0	112	P636 D640 R643	P636-G638 PolarHBondContact O-N 3.32Å; G638-D640 PolarHBondContact O-N 2.89Å; G638-R643 WeakPolarHBondContact O-CD 3.31Å; G638-R643 PolarHBondContact O-NE 2.86Å; G638-R643 PolarHBondContact O-NH1 3.41Å
639	D	54.4	Low	61.9	Low	106 Å²	106	98.4 Å²	98.4	57%	0.567	50%	0.495	S	S	*	.			trans	-36.4	112	-177.7	-164.4	-1.2	0	0	0	114.8	T642	D639-T642 HydrophobicContact CB-CG2 4.07Å; D639-T642 PolarHBondContact O-N 3.1Å; D639-T642 PolarHBondContact O-OG1 3Å
640	D	53.6	Low	63.5	Low	69 Å²	69	96.7 Å²	96.7	37%	0.369	49%	0.489	S	S	.	.	H	α-helix	trans	-75.4	-29	-163.9	-161.3	43.6	0	0	0	113.5	G638 T642 R643 R644	G638-D640 PolarHBondContact O-N 2.89Å; D640-T642 VanDerWaalsContact C-N 3.29Å; D640-T642 PolarHBondContact O-N 3.36Å; D640-R643 WeakPolarHBondContact O-CA 3.26Å; D640-R643 WeakPolarHBondContact O-CB 3.34Å; D640-R643 PolarHBondContact O-N 3.05Å; D640-R644 WeakPolarHBondContact O-CG 3.36Å; D640-R644 PolarHBondContact O-N 3.16Å; D640-R644 IonicContact OD2-CZ 2.83Å; D640-R644 IonicContact OD2-NE 3.65Å; D640-R644 PolarHBondContact OD2-NE 3.15Å; D640-R644 IonicContact OD2-NH2 3.43Å; D640-R644 PolarHBondContact OD2-NH2 3.27Å
641	D	53.8	Low	65.3	Low	111 Å²	111	94.2 Å²	94.2	59%	0.594	48%	0.476	S	S	*	.	H	α-helix	trans	-65.5	-35.3	176.8	-66.9	-35.8	0	0	0	111.3	R643 R644 N645	D641-R643 PolarHBondContact O-N 3.4Å; D641-R644 PolarHBondContact O-N 2.87Å; D641-N645 PolarHBondContact O-N 3.37Å
642	T	55.8	Low	67.2	Low	64 Å²	64	93 Å²	93	39%	0.393	45%	0.454	S	S	.	.	H	α-helix	trans	-66.7	-24.2	172.8	77.8	0	0	0	0	113.1	D639 D640	D639-T642 HydrophobicContact CB-CG2 4.07Å; D639-T642 PolarHBondContact O-N 3.1Å; D639-T642 PolarHBondContact O-OG1 3Å; D640-T642 VanDerWaalsContact C-N 3.29Å; D640-T642 PolarHBondContact O-N 3.36Å
643	R	56.5	Low	69.1	Low	64 Å²	64	88.2 Å²	88.2	24%	0.242	43%	0.434	C	S	.	.	H	α-helix	trans	-83	-37.7	179.2	-65.3	170.1	162.5	175.4	-6	111.1	D635 G638 D640 D641	D635-R643 PolarHBondContact O-NH2 2.87Å; G638-R643 WeakPolarHBondContact O-CD 3.31Å; G638-R643 PolarHBondContact O-NE 2.86Å; G638-R643 PolarHBondContact O-NH1 3.41Å; D640-R643 WeakPolarHBondContact O-CA 3.26Å; D640-R643 WeakPolarHBondContact O-CB 3.34Å; D640-R643 PolarHBondContact O-N 3.05Å; D641-R643 PolarHBondContact O-N 3.4Å
644	R	58.7	Low	70.9	Confident	157 Å²	157	78.3 Å²	78.3	59%	0.592	40%	0.403	S	S	*	.	H	α-helix	trans	-73.3	-46.5	178.1	-65.8	176.5	-171	-151.2	7.7	112.4	D640 D641 N646	D640-R644 WeakPolarHBondContact O-CG 3.36Å; D640-R644 PolarHBondContact O-N 3.16Å; D640-R644 IonicContact OD2-CZ 2.83Å; D640-R644 IonicContact OD2-NE 3.65Å; D640-R644 PolarHBondContact OD2-NE 3.15Å; D640-R644 IonicContact OD2-NH2 3.43Å; D640-R644 PolarHBondContact OD2-NH2 3.27Å; D641-R644 PolarHBondContact O-N 2.87Å; R644-N646 PolarHBondContact O-N 3.16Å
645	N	72.9	Confident	72.9	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	26.3	-171.8	-64.1	24.7	0	0	0	113.3	R571 D641 K647	R571-N645 WeakPolarHBondContact CD-O 3.44Å; D641-N645 PolarHBondContact O-N 3.37Å; N645-K647 PolarHBondContact O-N 2.64Å
646	N	83.8	Confident	74.7	Confident	11 Å²	11	72.7 Å²	72.7	6%	0.059	38%	0.38	C	S	.	.			trans	-90	92.1	-179.3	-174	22	0	0	0	111.5	N572 W626 E627 R644	N572-N646 PolarHBondContact N-OD1 2.99Å; N572-N646 PolarHBondContact O-ND2 3.32Å; N572-N646 PolarHBondContact O-OD1 3.42Å; W626-N646 CarbonylContact C-O 3.55Å; W626-N646 WeakPolarHBondContact CB-O 3.37Å; W626-N646 PolarHBondContact O-ND2 3.29Å; E627-N646 PolarHBondContact N-O 3.4Å; R644-N646 PolarHBondContact O-N 3.16Å
647	K	87.3	Confident	76.3	Confident	120 Å²	120	74 Å²	74	52%	0.522	37%	0.373	S	S	.	.			trans	-105	170.9	178.2	-168.2	173.7	177.2	-176.3	0	111.2	N645 W649	N645-K647 PolarHBondContact O-N 2.64Å; K647-W649 HydrophobicContact CB-CD2 4.36Å; K647-W649 HydrophobicContact CB-CE3 4.13Å; K647-W649 HydrophobicContact CB-CH2 3.67Å; K647-W649 HydrophobicContact CB-CZ2 3.87Å; K647-W649 HydrophobicContact CB-CZ3 3.79Å; K647-W649 HydrophobicContact CD-CZ2 4.09Å; K647-W649 HydrophobicContact CG-CD2 4.37Å; K647-W649 HydrophobicContact CG-CZ2 4.37Å; K647-W649 WeakPolarHBondContact O-CZ3 3.48Å
648	C	91.3	Very high	77.9	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	169.8	-179.5	0	0	0	0	108.4	R569 I570 M621 W626	R569-C648 WeakPolarHBondContact O-CA 3.36Å; I570-C648 HydrophobicContact CG1-CB 3.92Å; M621-C648 WeakPolarHBondContact CE-O 3.34Å; W626-C648 HydrophobicContact CD2-CB 3.98Å; W626-C648 HydrophobicContact CG-CB 3.85Å; W626-C648 HydrophobicContact CZ2-CB 4.35Å
649	W	92.1	Very high	79.6	Confident	47 Å²	47	75.3 Å²	75.3	18%	0.178	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.7	178.9	-61.2	-112.6	0	0	0	109.2	Y568 R569 R571 K647 E698	Y568-W649 CarbonylContact C-O 3.53Å; Y568-W649 WeakPolarHBondContact CA-O 3.35Å; R569-W649 HydrophobicContact CG-CE3 4.35Å; R569-W649 PolarHBondContact N-O 3.05Å; R569-W649 PolarHBondContact O-N 2.83Å; R571-W649 HydrophobicContact CB-CZ3 4.33Å; K647-W649 HydrophobicContact CB-CD2 4.36Å; K647-W649 HydrophobicContact CB-CE3 4.13Å; K647-W649 HydrophobicContact CB-CH2 3.67Å; K647-W649 HydrophobicContact CB-CZ2 3.87Å; K647-W649 HydrophobicContact CB-CZ3 3.79Å; K647-W649 HydrophobicContact CD-CZ2 4.09Å; K647-W649 HydrophobicContact CG-CD2 4.37Å; K647-W649 HydrophobicContact CG-CZ2 4.37Å; K647-W649 WeakPolarHBondContact O-CZ3 3.48Å; W649-E698 VanDerWaalsContact CZ2-OE1 3.29Å; W649-E698 WeakPolarHBondContact CZ2-OE1 3.49Å; W649-E698 VanDerWaalsContact CZ2-OE2 3.28Å; W649-E698 WeakPolarHBondContact CZ2-OE2 3.26Å; W649-E698 PolarHBondContact NE1-OE1 3.46Å
650	L	95.1	Very high	81.2	Confident	49 Å²	49	72.6 Å²	72.6	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	111.9	166	174.5	67.5	0	0	0	107.4	T566 Y568 K617 M621 W652 E653	T566-L650 HydrophobicContact CG2-CD1 4.3Å; Y568-L650 HydrophobicContact CD1-CB 4.28Å; Y568-L650 HydrophobicContact CD1-CD1 4Å; Y568-L650 HydrophobicContact CE1-CB 4.38Å; Y568-L650 HydrophobicContact CE1-CD1 3.71Å; K617-L650 HydrophobicContact CD-CD2 3.99Å; K617-L650 VanDerWaalsContact CE-CD2 3.46Å; K617-L650 VanDerWaalsContact NZ-CD2 3.31Å; M621-L650 HydrophobicContact SD-CB 4.41Å; L650-W652 WeakPolarHBondContact CD1-O 3.3Å; L650-E653 HydrophobicContact CD1-CB 4.39Å; L650-E653 HydrophobicContact CD2-CB 4.2Å
651	I	93.8	Very high	83	Confident	20 Å²	20	69.9 Å²	69.9	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-45.6	-179.4	-67.4	157.1	0	0	0	110.4	V567 R569 L690 A691	V567-I651 HydrophobicContact CG1-CB 4.28Å; V567-I651 HydrophobicContact CG1-CD1 3.99Å; V567-I651 PolarHBondContact O-N 3.01Å; R569-I651 HydrophobicContact CB-CD1 3.34Å; R569-I651 HydrophobicContact CB-CG1 4.01Å; I651-L690 HydrophobicContact CG2-CD2 3.71Å; I651-L690 HydrophobicContact CG2-CG 3.67Å; I651-A691 HydrophobicContact CD1-CB 3.36Å
652	W	94.6	Very high	84.7	Confident	86 Å²	86	66.7 Å²	66.7	33%	0.326	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.6	-173.7	-173.7	74.6	0	0	0	111.1	V565 T566 V567 L650 Y687 L690	V565-W652 HydrophobicContact CB-CE3 4.49Å; V565-W652 HydrophobicContact CB-CH2 4.42Å; V565-W652 HydrophobicContact CB-CZ3 3.68Å; V565-W652 HydrophobicContact CG1-CE3 4.38Å; V565-W652 HydrophobicContact CG1-CZ3 3.82Å; T566-W652 WeakPolarHBondContact CA-O 3.43Å; V567-W652 HydrophobicContact CB-CB 4.31Å; V567-W652 HydrophobicContact CG2-CE3 4.08Å; V567-W652 PolarHBondContact N-O 3.26Å; V567-W652 PolarHBondContact O-N 3.04Å; L650-W652 WeakPolarHBondContact CD1-O 3.3Å; W652-Y687 HydrophobicContact CD2-CE1 4.34Å; W652-Y687 HydrophobicContact CE3-CD1 4.13Å; W652-Y687 AromaticContact CE3-CE1 3.52Å; W652-Y687 HydrophobicContact CE3-CE1 3.52Å; W652-Y687 AromaticContact CH2-CE1 3.92Å; W652-Y687 HydrophobicContact CH2-CE1 3.92Å; W652-Y687 HydrophobicContact CZ3-CD1 4.28Å; W652-Y687 AromaticContact CZ3-CE1 3.26Å; W652-Y687 HydrophobicContact CZ3-CE1 3.26Å; W652-Y687 AromaticContact CZ3-CZ 3.57Å; W652-Y687 WeakPolarHBondContact CZ3-OH 3.36Å; W652-L690 HydrophobicContact CB-CD2 4.2Å
653	E	94.7	Very high	86.2	Confident	92 Å²	92	69.6 Å²	69.6	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	121.9	172	175	165.3	-152.2	0	0	107.4	V565 T566 K617 L650	V565-E653 WeakPolarHBondContact O-CA 3.17Å; T566-E653 HydrophobicContact CG2-CB 3.96Å; T566-E653 HydrophobicContact CG2-CG 3.74Å; K617-E653 IonicContact NZ-OE2 3.94Å; K617-E653 PolarHBondContact NZ-OE2 3.18Å; L650-E653 HydrophobicContact CD1-CB 4.39Å; L650-E653 HydrophobicContact CD2-CB 4.2Å
654	G	92.6	Very high	88	Confident	18 Å²	18	66.8 Å²	66.8	19%	0.186	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	-159.6	-173.2	0	0	0	0	0	112.5	H564 V565	H564-G654 CarbonylContact C-O 3.59Å; H564-G654 WeakPolarHBondContact CA-O 3.43Å; V565-G654 PolarHBondContact N-O 2.92Å; V565-G654 PolarHBondContact O-N 3.23Å
655	T	91.4	Very high	89.5	Confident	90 Å²	90	66.1 Å²	66.1	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.8	-178	45.4	0	0	0	0	111.3	V563 H564	V563-T655 CarbonylContact O-C 3.49Å; V563-T655 VanDerWaalsContact O-CA 3.3Å; V563-T655 WeakPolarHBondContact O-CA 3.47Å; H564-T655 VanDerWaalsContact CE1-CG2 3.49Å; H564-T655 WeakPolarHBondContact CE1-CG2 3.2Å; H564-T655 WeakPolarHBondContact ND1-CG2 3.33Å
656	A	89.1	Confident	90.5	Very high	25 Å²	25	64.9 Å²	64.9	21%	0.207	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.2	169.2	0	0	0	0	0	110	V563 V565	V563-A656 PolarHBondContact N-O 3.07Å; V563-A656 PolarHBondContact O-N 3.43Å; V565-A656 HydrophobicContact CG2-CB 3.92Å
657	K	85.6	Confident	90.9	Very high	147 Å²	147	68.9 Å²	68.9	64%	0.639	34%	0.338	S	S	*	.	S	Bend	trans	-62.5	-45.5	177.9	-170.9	-164.8	173.8	-142.3	0	111.7
658	E	85.8	Confident	91.1	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	35%	0.346	S	S	*	.	S	Bend	trans	-133.5	176.7	-172.3	-71.1	169.3	-131.4	0	0	110.6
659	R	88.2	Confident	90.9	Very high	92 Å²	92	70 Å²	70	35%	0.347	35%	0.345	S	S	.	.			trans	-92.6	116	178.3	-68	-176.9	134.9	-179	-13.4	110.1	V563 Y590 T592 E607 F661	V563-R659 HydrophobicContact CG1-CG 4.04Å; V563-R659 HydrophobicContact CG2-CG 3.71Å; Y590-R659 PolarHBondContact O-NH2 3.27Å; T592-R659 VanDerWaalsContact OG1-CZ 3.29Å; T592-R659 PolarHBondContact OG1-NE 3.47Å; T592-R659 PolarHBondContact OG1-NH2 2.69Å; E607-R659 PolarHBondContact O-NH2 3.34Å; R659-F661 VanDerWaalsContact C-N 3.35Å
660	S	89.3	Confident	90.7	Very high	48 Å²	48	71.5 Å²	71.5	34%	0.336	36%	0.361	S	S	.	.			trans	-76.3	-24.5	174	-74.2	0	0	0	0	112.3	E607 H682 T684	E607-S660 WeakPolarHBondContact OE1-CB 3.43Å; E607-S660 PolarHBondContact OE1-N 2.59Å; E607-S660 PolarHBondContact OE2-N 3.22Å; S660-H682 WeakPolarHBondContact CB-O 3.34Å; S660-H682 PolarHBondContact O-ND1 3.5Å; S660-H682 PolarHBondContact OG-O 3.4Å; S660-T684 WeakPolarHBondContact OG-CG2 3.43Å
661	F	90.7	Very high	90.3	Very high	12 Å²	12	72.5 Å²	72.5	5%	0.053	37%	0.369	C	S	.	.			trans	-114.6	152.1	-175.1	-63.6	-78.3	0	0	0	113.9	T592 G593 T594 V605 E607 R659 F679 H682 T684	T592-F661 VanDerWaalsContact CB-O 3.28Å; T592-F661 WeakPolarHBondContact CB-O 3.25Å; G593-F661 VanDerWaalsContact CA-CB 3.46Å; T594-F661 HydrophobicContact CG2-CD1 3.93Å; T594-F661 HydrophobicContact CG2-CE1 3.43Å; T594-F661 VanDerWaalsContact CG2-CE1 3.43Å; T594-F661 HydrophobicContact CG2-CE2 4.43Å; T594-F661 HydrophobicContact CG2-CZ 3.73Å; V605-F661 HydrophobicContact CG1-CD2 4.36Å; V605-F661 HydrophobicContact CG1-CE2 3.94Å; E607-F661 HydrophobicContact CG-CD2 4.28Å; E607-F661 WeakPolarHBondContact OE1-CD2 3.43Å; E607-F661 PolarHBondContact OE1-N 3.03Å; E607-F661 PolarHBondContact OE2-N 3.31Å; E607-F661 VanDerWaalsContact OE2-N 3.09Å; R659-F661 VanDerWaalsContact C-N 3.35Å; F661-F679 AromaticContact CZ-CD1 3.8Å; F661-F679 HydrophobicContact CZ-CD1 3.8Å; F661-F679 AromaticContact CZ-CE1 3.77Å; F661-F679 HydrophobicContact CZ-CE1 3.77Å; F661-H682 HydrophobicContact CD1-CB 4.25Å; F661-H682 AromaticContact CD1-CD2 3.98Å; F661-H682 AromaticContact CD1-CE1 3.91Å; F661-H682 AromaticContact CD1-CG 3.74Å; F661-H682 AromaticContact CD1-ND1 3.69Å; F661-H682 HydrophobicContact CE1-CB 3.6Å; F661-H682 AromaticContact CE1-CD2 3.54Å; F661-H682 AromaticContact CE1-CG 3.39Å; F661-H682 AromaticContact CE1-ND1 3.86Å; F661-H682 HydrophobicContact CZ-CB 3.76Å; F661-T684 HydrophobicContact CE2-CG2 4.34Å; F661-T684 VanDerWaalsContact CZ-OG1 3.31Å; F661-T684 WeakPolarHBondContact CZ-OG1 3.49Å
662	G	88.6	Confident	90	Very high	44 Å²	44	74 Å²	74	45%	0.454	38%	0.376	S	S	.	.			trans	-85.4	-150.2	167.2	0	0	0	0	0	112.4	T592 G593	T592-G662 VanDerWaalsContact CA-O 3.27Å; T592-G662 WeakPolarHBondContact CA-O 3.47Å; T592-G662 WeakPolarHBondContact CB-O 3.41Å; T592-G662 VanDerWaalsContact CG2-O 3.27Å; T592-G662 WeakPolarHBondContact CG2-O 3.28Å; G593-G662 PolarHBondContact N-O 3.18Å; G593-G662 VanDerWaalsContact N-O 3.12Å
663	E	89.4	Confident	89.7	Confident	125 Å²	125	75.8 Å²	75.8	58%	0.584	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-55.9	146.2	173.3	-174.7	168.1	-151.1	0	0	112.1	N587 K665	N587-E663 PolarHBondContact ND2-OE1 2.86Å; E663-K665 WeakPolarHBondContact O-CG 3.42Å; E663-K665 PolarHBondContact O-N 3.07Å; E663-K665 VanDerWaalsContact O-N 3.14Å
664	M	92.8	Very high	89.4	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.025	39%	0.392	C	S	.	.			trans	-57.7	111.9	-175	-173	56.2	139.1	0	0	112.1	V582 A586 N587 G593 T594 V595 V604 V606	V582-M664 HydrophobicContact CG1-CE 3.94Å; A586-M664 HydrophobicContact CB-CB 4.12Å; A586-M664 HydrophobicContact CB-CE 4.49Å; A586-M664 HydrophobicContact CB-CG 4.06Å; N587-M664 VanDerWaalsContact OD1-CB 3.29Å; N587-M664 WeakPolarHBondContact OD1-CB 3.38Å; G593-M664 VanDerWaalsContact C-SD 3.52Å; G593-M664 WeakPolarHBondContact O-CA 3.27Å; T594-M664 PolarHBondContact N-SD 3.2Å; V595-M664 HydrophobicContact CG2-CE 3.48Å; V595-M664 VanDerWaalsContact CG2-CE 3.48Å; V595-M664 HydrophobicContact CG2-SD 3.96Å; V604-M664 HydrophobicContact CG1-CE 3.87Å; V606-M664 HydrophobicContact CG2-CE 3.65Å
665	K	91.7	Very high	89.3	Confident	144 Å²	144	74.8 Å²	74.8	63%	0.626	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	-178.9	-74.3	168	-173.1	178.9	0	112.2	T594 V595 E663	T594-K665 WeakPolarHBondContact CA-O 3.46Å; T594-K665 PolarHBondContact OG1-O 3.35Å; V595-K665 PolarHBondContact N-O 3.1Å; E663-K665 WeakPolarHBondContact O-CG 3.42Å; E663-K665 PolarHBondContact O-N 3.07Å; E663-K665 VanDerWaalsContact O-N 3.14Å
666	F	92.8	Very high	89.2	Confident	61 Å²	61	74.4 Å²	74.4	27%	0.268	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.4	166.2	-66	-89.6	0	0	0	110.7	K579 E583 V595 L597	K579-F666 HydrophobicContact CB-CE1 4Å; K579-F666 HydrophobicContact CB-CZ 3.76Å; K579-F666 HydrophobicContact CD-CE1 4.38Å; K579-F666 HydrophobicContact CG-CE1 3.97Å; K579-F666 HydrophobicContact CG-CZ 4.26Å; E583-F666 HydrophobicContact CB-CE2 3.8Å; E583-F666 HydrophobicContact CB-CZ 4.15Å; E583-F666 HydrophobicContact CG-CE2 4.08Å; V595-F666 HydrophobicContact CB-CD1 3.5Å; V595-F666 VanDerWaalsContact CB-CD1 3.5Å; V595-F666 HydrophobicContact CB-CE1 3.74Å; V595-F666 HydrophobicContact CB-CG 4.22Å; V595-F666 HydrophobicContact CG1-CD1 3.57Å; V595-F666 HydrophobicContact CG1-CE1 3.66Å; V595-F666 HydrophobicContact CG2-CD1 4.06Å; V595-F666 HydrophobicContact CG2-CE1 3.82Å; V595-F666 HydrophobicContact CG2-CZ 4.32Å; V595-F666 CarbonylContact O-C 3.53Å; V595-F666 WeakPolarHBondContact O-CA 2.78Å; L597-F666 HydrophobicContact CD1-CD1 4.22Å; L597-F666 HydrophobicContact CD2-CD1 4.42Å; L597-F666 HydrophobicContact CG-CD1 4.39Å
667	K	91.7	Very high	89.4	Confident	95 Å²	95	77.4 Å²	77.4	41%	0.413	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.7	167.5	-174.4	73.4	-178.7	-178.8	0	108.7	V595 V596 L597	V595-K667 PolarHBondContact O-N 2.81Å; V596-K667 CarbonylContact C-O 3.57Å; V596-K667 WeakPolarHBondContact CA-O 3.34Å; V596-K667 HydrophobicContact CG2-CB 4.48Å; L597-K667 PolarHBondContact N-O 3.06Å
668	Q	91.5	Very high	89.6	Confident	147 Å²	147	72 Å²	72	69%	0.687	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.6	170.9	-173	171.2	-5.8	0	0	108.9
669	C	87.4	Confident	89.9	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	33%	0.332	C	S	.	.			trans	-123.1	99.1	179.9	-71.5	0	0	0	0	109.1	V596 L597 H598 T671 M674 A675	V596-C669 HydrophobicContact CG1-CB 4.01Å; L597-C669 PolarHBondContact O-N 3.24Å; H598-C669 PolarHBondContact ND1-O 3.43Å; C669-T671 PolarHBondContact O-N 2.99Å; C669-M674 HydrophobicContact CB-CB 4.22Å; C669-M674 PolarHBondContact SG-O 3.5Å; C669-M674 VanDerWaalsContact SG-O 3.41Å; C669-A675 HydrophobicContact CB-CB 3.84Å
670	P	87.6	Confident	90.2	Very high	79 Å²	79	68.6 Å²	68.6	51%	0.513	34%	0.34	S	S	.	.	S	Bend	trans	-63.7	-19.9	-178.7	-24.2	35.4	0	0	0	114.5	H598	H598-P670 PolarHBondContact CE1-O 3.44Å; H598-P670 VanDerWaalsContact CE1-O 3.28Å
671	T	87.6	Confident	90.3	Very high	71 Å²	71	73.2 Å²	73.2	44%	0.436	35%	0.354	S	S	.	.	S	Bend	trans	-123.7	151.4	177.2	62.5	0	0	0	0	110.8	C669 N673 M674 A675	C669-T671 PolarHBondContact O-N 2.99Å; T671-N673 VanDerWaalsContact C-N 3.35Å; T671-M674 PolarHBondContact O-N 3.34Å; T671-M674 VanDerWaalsContact OG1-CG 3.29Å; T671-M674 WeakPolarHBondContact OG1-CG 3.45Å; T671-A675 PolarHBondContact O-N 3.46Å
672	E	86.4	Confident	90.3	Very high	52 Å²	52	75.9 Å²	75.9	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-67.3	-35.8	-177.6	-59.2	177.8	165	0	0	111.5	K390 H598 M674 A675 R676 W688 L692	K390-E672 VanDerWaalsContact CE-OE1 3.22Å; K390-E672 WeakPolarHBondContact CE-OE1 3.45Å; K390-E672 IonicContact NZ-OE1 3.51Å; K390-E672 PolarHBondContact NZ-OE1 2.89Å; K390-E672 IonicContact NZ-OE2 2.92Å; H598-E672 IonicContact NE2-OE1 2.64Å; E672-M674 PolarHBondContact O-N 3.08Å; E672-A675 WeakPolarHBondContact O-CB 3.43Å; E672-A675 PolarHBondContact O-N 2.95Å; E672-A675 VanDerWaalsContact O-N 3.1Å; E672-R676 PolarHBondContact O-N 2.92Å; E672-W688 HydrophobicContact CB-CZ2 3.95Å; E672-W688 HydrophobicContact CG-CZ2 4.11Å; E672-L692 HydrophobicContact CB-CD2 4.43Å
673	N	88.1	Confident	90.3	Very high	123 Å²	123	76.5 Å²	76.5	66%	0.658	37%	0.373	S	S	*	.	H	α-helix	trans	-63.9	-40.5	176.7	-161.8	12.3	0	0	0	112.2	T671 A675 R676 E677	T671-N673 VanDerWaalsContact C-N 3.35Å; N673-A675 VanDerWaalsContact C-N 3.25Å; N673-A675 PolarHBondContact O-N 2.72Å; N673-R676 PolarHBondContact O-N 3.34Å; N673-E677 WeakPolarHBondContact O-CB 3.34Å; N673-E677 PolarHBondContact O-N 2.97Å
674	M	90.1	Very high	90.5	Very high	88 Å²	88	70.7 Å²	70.7	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-26.2	173.8	-72.2	179.8	75.7	0	0	113.1	C669 T671 E672 H678	C669-M674 HydrophobicContact CB-CB 4.22Å; C669-M674 PolarHBondContact SG-O 3.5Å; C669-M674 VanDerWaalsContact SG-O 3.41Å; T671-M674 PolarHBondContact O-N 3.34Å; T671-M674 VanDerWaalsContact OG1-CG 3.29Å; T671-M674 WeakPolarHBondContact OG1-CG 3.45Å; E672-M674 PolarHBondContact O-N 3.08Å; M674-H678 PolarHBondContact O-N 2.96Å
675	A	89.7	Confident	90.4	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-73.3	-48.1	172.3	0	0	0	0	0	110.9	V596 C669 T671 E672 N673 E677 H678 F679 W688	V596-A675 HydrophobicContact CG1-CB 3.82Å; C669-A675 HydrophobicContact CB-CB 3.84Å; T671-A675 PolarHBondContact O-N 3.46Å; E672-A675 WeakPolarHBondContact O-CB 3.43Å; E672-A675 PolarHBondContact O-N 2.95Å; E672-A675 VanDerWaalsContact O-N 3.1Å; N673-A675 VanDerWaalsContact C-N 3.25Å; N673-A675 PolarHBondContact O-N 2.72Å; A675-E677 PolarHBondContact O-N 3.39Å; A675-H678 WeakPolarHBondContact O-CB 3.47Å; A675-H678 PolarHBondContact O-N 2.95Å; A675-H678 VanDerWaalsContact O-N 3.13Å; A675-F679 WeakPolarHBondContact O-CD2 3.1Å; A675-F679 PolarHBondContact O-N 3.27Å; A675-F679 VanDerWaalsContact O-N 3.12Å; A675-W688 HydrophobicContact CB-CD2 3.73Å; A675-W688 HydrophobicContact CB-CE3 3.51Å; A675-W688 HydrophobicContact CB-CH2 3.54Å; A675-W688 HydrophobicContact CB-CZ2 3.68Å; A675-W688 HydrophobicContact CB-CZ3 3.44Å; A675-W688 VanDerWaalsContact CB-CZ3 3.44Å
676	R	90.2	Very high	90.4	Very high	82 Å²	82	70.8 Å²	70.8	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-44.3	175.8	-159	178.5	-167.5	-148.3	-0.4	112.1	E672 N673 H678 F679 R680 E685 W688 D689	E672-R676 PolarHBondContact O-N 2.92Å; N673-R676 PolarHBondContact O-N 3.34Å; R676-H678 VanDerWaalsContact C-N 3.3Å; R676-H678 PolarHBondContact O-N 2.95Å; R676-F679 PolarHBondContact O-N 3.3Å; R676-F679 VanDerWaalsContact O-N 3.16Å; R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.02Å; R676-E685 HydrophobicContact CG-CB 4.46Å; R676-W688 HydrophobicContact CB-CG 4.46Å; R676-D689 WeakPolarHBondContact CD-OD1 3.44Å; R676-D689 IonicContact CZ-OD1 3.43Å; R676-D689 IonicContact CZ-OD2 2.95Å; R676-D689 VanDerWaalsContact CZ-OD2 3.3Å; R676-D689 VanDerWaalsContact NE-CG 3.33Å; R676-D689 IonicContact NE-OD1 2.59Å; R676-D689 PolarHBondContact NE-OD1 3.05Å; R676-D689 IonicContact NE-OD2 3.23Å; R676-D689 PolarHBondContact NE-OD2 2.87Å; R676-D689 VanDerWaalsContact NE-OD2 3.07Å; R676-D689 IonicContact NH2-OD1 2.69Å; R676-D689 IonicContact NH2-OD2 2.72Å; R676-D689 PolarHBondContact NH2-OD2 3.11Å
677	E	91.4	Very high	90.4	Very high	88 Å²	88	68.5 Å²	68.5	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-35.8	175.4	-164.2	-151.5	153	0	0	112.7	N673 A675 K681	N673-E677 WeakPolarHBondContact O-CB 3.34Å; N673-E677 PolarHBondContact O-N 2.97Å; A675-E677 PolarHBondContact O-N 3.39Å; E677-K681 WeakPolarHBondContact O-CG 3.46Å; E677-K681 PolarHBondContact O-N 3.04Å; E677-K681 WeakPolarHBondContact OE1-CE 3.35Å; E677-K681 IonicContact OE1-NZ 3.85Å; E677-K681 PolarHBondContact OE1-NZ 3.46Å
678	H	91.6	Very high	90.4	Very high	35 Å²	35	64.1 Å²	64.1	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-42	174.4	-177.3	-91.2	0	0	0	111.7	T594 M674 A675 R676 H682	T594-H678 PolarHBondContact OG1-CE1 2.87Å; M674-H678 PolarHBondContact O-N 2.96Å; A675-H678 WeakPolarHBondContact O-CB 3.47Å; A675-H678 PolarHBondContact O-N 2.95Å; A675-H678 VanDerWaalsContact O-N 3.13Å; R676-H678 VanDerWaalsContact C-N 3.3Å; R676-H678 PolarHBondContact O-N 2.95Å; H678-H682 PolarHBondContact O-CD2 3.37Å
679	F	92.2	Very high	90.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-71.7	-35.2	175.7	-78.6	-74.1	0	0	0	113	T594 V596 I603 V605 F661 A675 R676 K681 H682 G683 T684 W688	T594-F679 HydrophobicContact CG2-CE1 3.7Å; T594-F679 HydrophobicContact CG2-CZ 3.84Å; V596-F679 HydrophobicContact CB-CE2 3.98Å; V596-F679 HydrophobicContact CB-CZ 4.4Å; V596-F679 HydrophobicContact CG2-CD2 4.29Å; V596-F679 HydrophobicContact CG2-CE2 3.39Å; V596-F679 HydrophobicContact CG2-CZ 3.7Å; I603-F679 HydrophobicContact CG2-CZ 4.42Å; V605-F679 HydrophobicContact CB-CE1 4.36Å; V605-F679 HydrophobicContact CG2-CE1 3.58Å; V605-F679 HydrophobicContact CG2-CZ 3.82Å; F661-F679 AromaticContact CZ-CD1 3.8Å; F661-F679 HydrophobicContact CZ-CD1 3.8Å; F661-F679 AromaticContact CZ-CE1 3.77Å; F661-F679 HydrophobicContact CZ-CE1 3.77Å; A675-F679 WeakPolarHBondContact O-CD2 3.1Å; A675-F679 PolarHBondContact O-N 3.27Å; A675-F679 VanDerWaalsContact O-N 3.12Å; R676-F679 PolarHBondContact O-N 3.3Å; R676-F679 VanDerWaalsContact O-N 3.16Å; F679-K681 VanDerWaalsContact C-N 3.31Å; F679-K681 PolarHBondContact O-N 2.94Å; F679-H682 CarbonylContact O-C 3.15Å; F679-H682 WeakPolarHBondContact O-CA 3.13Å; F679-H682 PolarHBondContact O-N 2.99Å; F679-G683 PolarHBondContact O-N 2.88Å; F679-G683 VanDerWaalsContact O-N 3.16Å; F679-T684 PolarHBondContact O-N 3Å; F679-T684 PolarHBondContact O-OG1 2.9Å; F679-W688 HydrophobicContact CB-CB 4.42Å; F679-W688 HydrophobicContact CD2-CB 3.68Å; F679-W688 HydrophobicContact CD2-CE3 4.2Å; F679-W688 HydrophobicContact CD2-CG 4.3Å; F679-W688 HydrophobicContact CE2-CB 4.23Å; F679-W688 AromaticContact CE2-CE3 3.93Å; F679-W688 HydrophobicContact CE2-CE3 3.93Å; F679-W688 HydrophobicContact CG-CB 4.17Å
680	R	92.7	Very high	90.5	Very high	141 Å²	141	62 Å²	62	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-55.7	-42.4	171.9	177.2	163.2	-71.6	-177.4	-6.3	112.4	R676 H682 G683 E685	R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.02Å; R680-H682 PolarHBondContact O-N 3.38Å; R680-H682 VanDerWaalsContact O-N 3.09Å; R680-G683 PolarHBondContact O-N 3.25Å; R680-E685 VanDerWaalsContact CB-OE2 3.27Å; R680-E685 WeakPolarHBondContact CB-OE2 3.48Å; R680-E685 WeakPolarHBondContact CG-OE2 3.47Å; R680-E685 IonicContact CZ-OE1 3.8Å; R680-E685 IonicContact CZ-OE2 3.8Å; R680-E685 IonicContact NE-OE1 3.79Å; R680-E685 IonicContact NE-OE2 3.85Å; R680-E685 PolarHBondContact NE-OE2 3.39Å; R680-E685 IonicContact NH2-OE1 3.24Å; R680-E685 PolarHBondContact NH2-OE1 3.38Å; R680-E685 IonicContact NH2-OE2 2.6Å; R680-E685 PolarHBondContact NH2-OE2 2.86Å
681	K	91.7	Very high	90.6	Very high	145 Å²	145	58.3 Å²	58.3	63%	0.63	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13	175.2	-72.3	168.4	-173.7	174.9	0	114.4	E677 F679	E677-K681 WeakPolarHBondContact O-CG 3.46Å; E677-K681 PolarHBondContact O-N 3.04Å; E677-K681 WeakPolarHBondContact OE1-CE 3.35Å; E677-K681 IonicContact OE1-NZ 3.85Å; E677-K681 PolarHBondContact OE1-NZ 3.46Å; F679-K681 VanDerWaalsContact C-N 3.31Å; F679-K681 PolarHBondContact O-N 2.94Å
682	H	90.4	Very high	90.7	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.315	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	15	175.2	-72.6	-81.6	0	0	0	112.5	S660 F661 H678 F679 R680 T684	S660-H682 WeakPolarHBondContact CB-O 3.34Å; S660-H682 PolarHBondContact O-ND1 3.5Å; S660-H682 PolarHBondContact OG-O 3.4Å; F661-H682 HydrophobicContact CD1-CB 4.25Å; F661-H682 AromaticContact CD1-CD2 3.98Å; F661-H682 AromaticContact CD1-CE1 3.91Å; F661-H682 AromaticContact CD1-CG 3.74Å; F661-H682 AromaticContact CD1-ND1 3.69Å; F661-H682 HydrophobicContact CE1-CB 3.6Å; F661-H682 AromaticContact CE1-CD2 3.54Å; F661-H682 AromaticContact CE1-CG 3.39Å; F661-H682 AromaticContact CE1-ND1 3.86Å; F661-H682 HydrophobicContact CZ-CB 3.76Å; H678-H682 PolarHBondContact O-CD2 3.37Å; F679-H682 CarbonylContact O-C 3.15Å; F679-H682 WeakPolarHBondContact O-CA 3.13Å; F679-H682 PolarHBondContact O-N 2.99Å; R680-H682 PolarHBondContact O-N 3.38Å; R680-H682 VanDerWaalsContact O-N 3.09Å; H682-T684 WeakPolarHBondContact CB-OG1 3.29Å; H682-T684 WeakPolarHBondContact O-CG2 3.4Å; H682-T684 PolarHBondContact O-N 3.48Å; H682-T684 VanDerWaalsContact O-N 3.16Å; H682-T684 PolarHBondContact O-OG1 2.92Å; H682-T684 VanDerWaalsContact O-OG1 3.07Å
683	G	90.4	Very high	90.7	Very high	56 Å²	56	54.6 Å²	54.6	58%	0.577	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	16.6	-179.9	0	0	0	0	0	115.3	F679 R680 H686	F679-G683 PolarHBondContact O-N 2.88Å; F679-G683 VanDerWaalsContact O-N 3.16Å; R680-G683 PolarHBondContact O-N 3.25Å; G683-H686 PolarHBondContact O-CE1 3.19Å
684	T	91.8	Very high	90.5	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	26%	0.256	C	S	.	.			trans	-124.5	25.4	-163.1	38	0	0	0	0	113.4	S660 F661 F679 H682 H686 Y687	S660-T684 WeakPolarHBondContact OG-CG2 3.43Å; F661-T684 HydrophobicContact CE2-CG2 4.34Å; F661-T684 VanDerWaalsContact CZ-OG1 3.31Å; F661-T684 WeakPolarHBondContact CZ-OG1 3.49Å; F679-T684 PolarHBondContact O-N 3Å; F679-T684 PolarHBondContact O-OG1 2.9Å; H682-T684 WeakPolarHBondContact CB-OG1 3.29Å; H682-T684 WeakPolarHBondContact O-CG2 3.4Å; H682-T684 PolarHBondContact O-N 3.48Å; H682-T684 VanDerWaalsContact O-N 3.16Å; H682-T684 PolarHBondContact O-OG1 2.92Å; H682-T684 VanDerWaalsContact O-OG1 3.07Å; T684-H686 PolarHBondContact O-N 3.37Å; T684-Y687 HydrophobicContact CG2-CD2 3.82Å; T684-Y687 HydrophobicContact CG2-CE2 3.37Å; T684-Y687 WeakPolarHBondContact O-CB 3.27Å; T684-Y687 PolarHBondContact O-N 2.99Å
685	E	91.3	Very high	90.2	Very high	52 Å²	52	48.8 Å²	48.8	24%	0.243	24%	0.239	C	C	.	.	H	α-helix	trans	-56.1	-31.8	179	56.6	-168.2	-126.2	0	0	114.1	R676 R680 Y687 W688 D689	R676-E685 HydrophobicContact CG-CB 4.46Å; R680-E685 VanDerWaalsContact CB-OE2 3.27Å; R680-E685 WeakPolarHBondContact CB-OE2 3.48Å; R680-E685 WeakPolarHBondContact CG-OE2 3.47Å; R680-E685 IonicContact CZ-OE1 3.8Å; R680-E685 IonicContact CZ-OE2 3.8Å; R680-E685 IonicContact NE-OE1 3.79Å; R680-E685 IonicContact NE-OE2 3.85Å; R680-E685 PolarHBondContact NE-OE2 3.39Å; R680-E685 IonicContact NH2-OE1 3.24Å; R680-E685 PolarHBondContact NH2-OE1 3.38Å; R680-E685 IonicContact NH2-OE2 2.6Å; R680-E685 PolarHBondContact NH2-OE2 2.86Å; E685-Y687 PolarHBondContact O-N 2.92Å; E685-W688 WeakPolarHBondContact O-CB 3.43Å; E685-W688 PolarHBondContact O-N 3.35Å; E685-D689 PolarHBondContact O-N 3.45Å
686	H	91.4	Very high	89.7	Confident	100 Å²	100	49.6 Å²	49.6	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-58.7	-28.2	174.4	52	-96.5	0	0	0	113.6	G683 T684 L690	G683-H686 PolarHBondContact O-CE1 3.19Å; T684-H686 PolarHBondContact O-N 3.37Å; H686-L690 WeakPolarHBondContact O-CB 3.49Å; H686-L690 PolarHBondContact O-N 3.24Å
687	Y	92.8	Very high	89.2	Confident	13 Å²	13	49.9 Å²	49.9	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-71.3	-31.1	173.3	-59.5	-31	0	0	0	112.7	V565 V567 V605 W652 T684 E685 A691	V565-Y687 HydrophobicContact CG1-CE2 4.17Å; V567-Y687 HydrophobicContact CG2-CD1 3.84Å; V567-Y687 HydrophobicContact CG2-CD2 4.24Å; V567-Y687 HydrophobicContact CG2-CE1 4.38Å; V567-Y687 HydrophobicContact CG2-CG 3.8Å; V605-Y687 HydrophobicContact CG1-CD2 3.89Å; V605-Y687 HydrophobicContact CG1-CE2 4.11Å; V605-Y687 HydrophobicContact CG2-CD2 4.32Å; W652-Y687 HydrophobicContact CD2-CE1 4.34Å; W652-Y687 HydrophobicContact CE3-CD1 4.13Å; W652-Y687 AromaticContact CE3-CE1 3.52Å; W652-Y687 HydrophobicContact CE3-CE1 3.52Å; W652-Y687 AromaticContact CH2-CE1 3.92Å; W652-Y687 HydrophobicContact CH2-CE1 3.92Å; W652-Y687 HydrophobicContact CZ3-CD1 4.28Å; W652-Y687 AromaticContact CZ3-CE1 3.26Å; W652-Y687 HydrophobicContact CZ3-CE1 3.26Å; W652-Y687 AromaticContact CZ3-CZ 3.57Å; W652-Y687 WeakPolarHBondContact CZ3-OH 3.36Å; T684-Y687 HydrophobicContact CG2-CD2 3.82Å; T684-Y687 HydrophobicContact CG2-CE2 3.37Å; T684-Y687 WeakPolarHBondContact O-CB 3.27Å; T684-Y687 PolarHBondContact O-N 2.99Å; E685-Y687 PolarHBondContact O-N 2.92Å; Y687-A691 VanDerWaalsContact O-CB 3.27Å; Y687-A691 WeakPolarHBondContact O-CB 3.4Å; Y687-A691 PolarHBondContact O-N 3Å
688	W	92.1	Very high	88.4	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-74.3	-48.3	174	174.7	-92.6	0	0	0	110.4	V596 H598 I603 E672 A675 R676 F679 E685 L690 A691 L692	V596-W688 HydrophobicContact CG1-CZ3 4.08Å; H598-W688 HydrophobicContact CB-CH2 4.13Å; I603-W688 HydrophobicContact CD1-CB 4.47Å; I603-W688 HydrophobicContact CD1-CD2 4.07Å; I603-W688 HydrophobicContact CD1-CE3 3.29Å; I603-W688 HydrophobicContact CD1-CZ3 3.69Å; I603-W688 HydrophobicContact CG1-CE3 4.12Å; I603-W688 HydrophobicContact CG1-CZ3 4.04Å; E672-W688 HydrophobicContact CB-CZ2 3.95Å; E672-W688 HydrophobicContact CG-CZ2 4.11Å; A675-W688 HydrophobicContact CB-CD2 3.73Å; A675-W688 HydrophobicContact CB-CE3 3.51Å; A675-W688 HydrophobicContact CB-CH2 3.54Å; A675-W688 HydrophobicContact CB-CZ2 3.68Å; A675-W688 HydrophobicContact CB-CZ3 3.44Å; A675-W688 VanDerWaalsContact CB-CZ3 3.44Å; R676-W688 HydrophobicContact CB-CG 4.46Å; F679-W688 HydrophobicContact CB-CB 4.42Å; F679-W688 HydrophobicContact CD2-CB 3.68Å; F679-W688 HydrophobicContact CD2-CE3 4.2Å; F679-W688 HydrophobicContact CD2-CG 4.3Å; F679-W688 HydrophobicContact CE2-CB 4.23Å; F679-W688 AromaticContact CE2-CE3 3.93Å; F679-W688 HydrophobicContact CE2-CE3 3.93Å; F679-W688 HydrophobicContact CG-CB 4.17Å; E685-W688 WeakPolarHBondContact O-CB 3.43Å; E685-W688 PolarHBondContact O-N 3.35Å; W688-L690 PolarHBondContact O-N 3.15Å; W688-A691 PolarHBondContact O-N 2.85Å; W688-L692 HydrophobicContact CZ2-CD1 4.39Å; W688-L692 HydrophobicContact CZ2-CD2 4.12Å; W688-L692 VanDerWaalsContact O-CB 3.27Å; W688-L692 WeakPolarHBondContact O-CB 3.47Å; W688-L692 PolarHBondContact O-N 3.21Å
689	D	90.4	Very high	87.1	Confident	39 Å²	39	49.4 Å²	49.4	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-41.1	-175.9	-62.3	-15.5	0	0	0	111.8	R676 E685 L692 S693	R676-D689 WeakPolarHBondContact CD-OD1 3.44Å; R676-D689 IonicContact CZ-OD1 3.43Å; R676-D689 IonicContact CZ-OD2 2.95Å; R676-D689 VanDerWaalsContact CZ-OD2 3.3Å; R676-D689 VanDerWaalsContact NE-CG 3.33Å; R676-D689 IonicContact NE-OD1 2.59Å; R676-D689 PolarHBondContact NE-OD1 3.05Å; R676-D689 IonicContact NE-OD2 3.23Å; R676-D689 PolarHBondContact NE-OD2 2.87Å; R676-D689 VanDerWaalsContact NE-OD2 3.07Å; R676-D689 IonicContact NH2-OD1 2.69Å; R676-D689 IonicContact NH2-OD2 2.72Å; R676-D689 PolarHBondContact NH2-OD2 3.11Å; E685-D689 PolarHBondContact O-N 3.45Å; D689-L692 PolarHBondContact O-N 3.36Å; D689-S693 WeakPolarHBondContact O-CB 3.49Å; D689-S693 PolarHBondContact O-N 3.25Å; D689-S693 PolarHBondContact O-OG 2.96Å
690	L	90.8	Very high	85.6	Confident	66 Å²	66	52 Å²	52	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-40.7	174.2	-179.7	62.8	0	0	0	112.7	I651 W652 H686 W688 S693 Q694	I651-L690 HydrophobicContact CG2-CD2 3.71Å; I651-L690 HydrophobicContact CG2-CG 3.67Å; W652-L690 HydrophobicContact CB-CD2 4.2Å; H686-L690 WeakPolarHBondContact O-CB 3.49Å; H686-L690 PolarHBondContact O-N 3.24Å; W688-L690 PolarHBondContact O-N 3.15Å; L690-S693 WeakPolarHBondContact CA-OG 3.48Å; L690-S693 PolarHBondContact O-OG 2.72Å; L690-S693 VanDerWaalsContact O-OG 3.05Å; L690-Q694 WeakPolarHBondContact O-CB 3.36Å; L690-Q694 WeakPolarHBondContact O-CG 3.28Å; L690-Q694 PolarHBondContact O-N 3.46Å
691	A	90.5	Very high	83.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69	-38.8	177.5	0	0	0	0	0	112.7	I603 I651 Y687 W688 S695	I603-A691 HydrophobicContact CD1-CB 3.31Å; I603-A691 HydrophobicContact CG1-CB 3.99Å; I651-A691 HydrophobicContact CD1-CB 3.36Å; Y687-A691 VanDerWaalsContact O-CB 3.27Å; Y687-A691 WeakPolarHBondContact O-CB 3.4Å; Y687-A691 PolarHBondContact O-N 3Å; W688-A691 PolarHBondContact O-N 2.85Å; A691-S695 VanDerWaalsContact O-CB 3.28Å; A691-S695 WeakPolarHBondContact O-CB 3.5Å; A691-S695 PolarHBondContact O-N 2.68Å; A691-S695 VanDerWaalsContact O-N 3.07Å
692	L	88.1	Confident	81.1	Confident	9 Å²	9	53 Å²	53	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-73	-44.1	-178	-177.6	59.7	0	0	0	111	I394 V601 E672 W688 D689 S695 V696	I394-L692 HydrophobicContact CD1-CD1 4.17Å; I394-L692 HydrophobicContact CD1-CD2 4.13Å; I394-L692 HydrophobicContact CD1-CG 3.76Å; I394-L692 HydrophobicContact CG1-CD2 3.89Å; I394-L692 HydrophobicContact CG1-CG 3.99Å; I394-L692 HydrophobicContact CG2-CG 4.39Å; V601-L692 HydrophobicContact CG2-CD1 4.46Å; E672-L692 HydrophobicContact CB-CD2 4.43Å; W688-L692 HydrophobicContact CZ2-CD1 4.39Å; W688-L692 HydrophobicContact CZ2-CD2 4.12Å; W688-L692 VanDerWaalsContact O-CB 3.27Å; W688-L692 WeakPolarHBondContact O-CB 3.47Å; W688-L692 PolarHBondContact O-N 3.21Å; D689-L692 PolarHBondContact O-N 3.36Å; L692-S695 WeakPolarHBondContact CA-OG 3.43Å; L692-S695 WeakPolarHBondContact O-CB 3.33Å; L692-S695 PolarHBondContact O-N 2.71Å; L692-S695 VanDerWaalsContact O-N 3.14Å; L692-S695 PolarHBondContact O-OG 3.44Å; L692-V696 PolarHBondContact O-N 2.92Å; L692-V696 VanDerWaalsContact O-N 3.14Å
693	S	86.4	Confident	80.7	Confident	36 Å²	36	52.2 Å²	52.2	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-52.8	173.2	47.7	0	0	0	0	112.4	D689 L690 S695 V696 L697	D689-S693 WeakPolarHBondContact O-CB 3.49Å; D689-S693 PolarHBondContact O-N 3.25Å; D689-S693 PolarHBondContact O-OG 2.96Å; L690-S693 WeakPolarHBondContact CA-OG 3.48Å; L690-S693 PolarHBondContact O-OG 2.72Å; L690-S693 VanDerWaalsContact O-OG 3.05Å; S693-S695 PolarHBondContact O-N 3.03Å; S693-V696 PolarHBondContact O-N 3.35Å; S693-V696 VanDerWaalsContact O-N 3.12Å; S693-L697 WeakPolarHBondContact O-CG 3.29Å; S693-L697 PolarHBondContact O-N 3.05Å; S693-L697 VanDerWaalsContact O-N 3.09Å
694	Q	84.7	Confident	80.1	Confident	78 Å²	78	52 Å²	52	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-32.7	173.7	-73.8	-173.9	0.4	0	0	112.8	L690 E698	L690-Q694 WeakPolarHBondContact O-CB 3.36Å; L690-Q694 WeakPolarHBondContact O-CG 3.28Å; L690-Q694 PolarHBondContact O-N 3.46Å; Q694-E698 PolarHBondContact O-N 2.87Å
695	S	83.4	Confident	79.5	Confident	12 Å²	12	54.7 Å²	54.7	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-73.9	-21.8	180	78.9	0	0	0	0	115.4	V601 A691 L692 S693	V601-S695 WeakPolarHBondContact CG2-OG 3.38Å; A691-S695 VanDerWaalsContact O-CB 3.28Å; A691-S695 WeakPolarHBondContact O-CB 3.5Å; A691-S695 PolarHBondContact O-N 2.68Å; A691-S695 VanDerWaalsContact O-N 3.07Å; L692-S695 WeakPolarHBondContact CA-OG 3.43Å; L692-S695 WeakPolarHBondContact O-CB 3.33Å; L692-S695 PolarHBondContact O-N 2.71Å; L692-S695 VanDerWaalsContact O-N 3.14Å; L692-S695 PolarHBondContact O-OG 3.44Å; S693-S695 PolarHBondContact O-N 3.03Å
696	V	80.4	Confident	78.8	Confident	16 Å²	16	54.9 Å²	54.9	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-95	-30.7	178.3	174.8	0	0	0	0	111.1	K390 L391 I394 L692 S693 G699 S700	K390-V696 HydrophobicContact CD-CG2 4.05Å; K390-V696 HydrophobicContact CG-CG2 4.32Å; L391-V696 HydrophobicContact CD2-CB 4.45Å; L391-V696 HydrophobicContact CD2-CG1 3.71Å; L391-V696 HydrophobicContact CG-CG1 3.92Å; I394-V696 HydrophobicContact CD1-CB 4.07Å; I394-V696 HydrophobicContact CD1-CG1 4.42Å; I394-V696 HydrophobicContact CD1-CG2 3.44Å; I394-V696 VanDerWaalsContact CD1-CG2 3.44Å; L692-V696 PolarHBondContact O-N 2.92Å; L692-V696 VanDerWaalsContact O-N 3.14Å; S693-V696 PolarHBondContact O-N 3.35Å; S693-V696 VanDerWaalsContact O-N 3.12Å; V696-G699 CarbonylContact O-C 3.59Å; V696-G699 WeakPolarHBondContact O-CA 3.41Å; V696-G699 PolarHBondContact O-N 3.3Å; V696-G699 VanDerWaalsContact O-N 3.16Å; V696-S700 PolarHBondContact O-N 3.16Å; V696-S700 VanDerWaalsContact O-N 3.14Å; V696-S700 PolarHBondContact O-OG 2.86Å
697	L	78.6	Confident	78	Confident	89 Å²	89	52.1 Å²	52.1	47%	0.466	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-51.6	169.1	-65.9	169.4	0	0	0	111.6	L391 S693 G699 S700 D701	L391-L697 HydrophobicContact CD2-CD2 4.26Å; S693-L697 WeakPolarHBondContact O-CG 3.29Å; S693-L697 PolarHBondContact O-N 3.05Å; S693-L697 VanDerWaalsContact O-N 3.09Å; L697-G699 PolarHBondContact O-N 3.18Å; L697-S700 PolarHBondContact O-N 3.35Å; L697-S700 PolarHBondContact O-OG 3.26Å; L697-D701 PolarHBondContact O-N 2.87Å
698	E	73.7	Confident	77	Confident	62 Å²	62	54.7 Å²	54.7	29%	0.29	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.3	173.3	-165.9	-173.6	-126.9	0	0	112.4	R569 W649 Q694	R569-E698 IonicContact CZ-OE2 3.4Å; R569-E698 IonicContact NH1-OE2 2.69Å; R569-E698 PolarHBondContact NH1-OE2 3.14Å; R569-E698 IonicContact NH2-OE2 3.38Å; R569-E698 PolarHBondContact NH2-OE2 3.46Å; W649-E698 VanDerWaalsContact CZ2-OE1 3.29Å; W649-E698 WeakPolarHBondContact CZ2-OE1 3.49Å; W649-E698 VanDerWaalsContact CZ2-OE2 3.28Å; W649-E698 WeakPolarHBondContact CZ2-OE2 3.26Å; W649-E698 PolarHBondContact NE1-OE1 3.46Å; Q694-E698 PolarHBondContact O-N 2.87Å
699	G	65.9	Low	76	Confident	50 Å²	50	58.4 Å²	58.4	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.5	174.3	0	0	0	0	0	115	V696 L697	V696-G699 CarbonylContact O-C 3.59Å; V696-G699 WeakPolarHBondContact O-CA 3.41Å; V696-G699 PolarHBondContact O-N 3.3Å; V696-G699 VanDerWaalsContact O-N 3.16Å; L697-G699 PolarHBondContact O-N 3.18Å
700	S	59.1	Low	74.8	Confident	56 Å²	56	59.9 Å²	59.9	39%	0.392	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-11.2	170.3	55.9	0	0	0	0	113.6	V696 L697	V696-S700 PolarHBondContact O-N 3.16Å; V696-S700 VanDerWaalsContact O-N 3.14Å; V696-S700 PolarHBondContact O-OG 2.86Å; L697-S700 PolarHBondContact O-N 3.35Å; L697-S700 PolarHBondContact O-OG 3.26Å
701	D	49.8	Very low	73.5	Confident	138 Å²	138	59.4 Å²	59.4	74%	0.738	35%	0.345	S	S	*	.			trans	-94.8	-12.8	176.8	-57.3	-20.9	0	0	0	112.7	L697	L697-D701 PolarHBondContact O-N 2.87Å
702	D	41.5	Very low	72	Confident	167 Å²	167	64.8 Å²	64.8	89%	0.893	38%	0.376	S	S	*	.			trans	-94.8	0	170.5	-99.6	-1.6	0	0	0	110.6

Retrieved 702 of 702 residues in 862.4 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).