A0A087YDF3_POEFO Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A087YDF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 760 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	63.1	Low	245 Å²	245	109.1 Å²	109.1	100%	1.207	59%	0.59	S	S	*	*				0	112.7	0	-65.2	-178.9	-179.5	0	0	106.7
2	S	32	Very low	65.8	Low	114 Å²	114	100 Å²	100	80%	0.797	54%	0.541	S	S	*	.			trans	-66.9	141.2	173	43	0	0	0	0	109.4	T4	S2-T4 PolarHBondContact O-N 3.31Å; S2-T4 VanDerWaalsContact O-N 3.16Å
3	K	37.6	Very low	68.2	Low	148 Å²	148	92.5 Å²	92.5	64%	0.643	50%	0.5	S	S	*	.			trans	-57.8	119.3	165.2	-74.6	174.9	178.2	171.2	0	106.6	K5 E359	K3-K5 PolarHBondContact O-N 3.4Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K3-E359 IonicContact NZ-OE2 2.76Å
4	T	36.3	Very low	70.3	Confident	137 Å²	137	85.9 Å²	85.9	84%	0.84	46%	0.464	S	S	*	.			trans	-61.7	112.5	169.8	-0.6	0	0	0	0	107.5	S2 S6	S2-T4 PolarHBondContact O-N 3.31Å; S2-T4 VanDerWaalsContact O-N 3.16Å; T4-S6 PolarHBondContact O-N 2.74Å; T4-S6 VanDerWaalsContact O-N 3.07Å
5	K	49.5	Very low	72	Confident	187 Å²	187	81.2 Å²	81.2	81%	0.813	44%	0.437	S	S	*	.			trans	-52.7	118.5	174.2	-70.8	-172.1	174.6	-170.7	0	107.8	K3 S7	K3-K5 PolarHBondContact O-N 3.4Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K5-S7 PolarHBondContact O-N 3.26Å; K5-S7 VanDerWaalsContact O-N 3.09Å
6	S	61.3	Low	73.5	Confident	106 Å²	106	76.4 Å²	76.4	74%	0.741	41%	0.412	S	S	*	.			trans	-66.1	110.2	-173.5	52.1	0	0	0	0	110.1	T4	T4-S6 PolarHBondContact O-N 2.74Å; T4-S6 VanDerWaalsContact O-N 3.07Å
7	S	76.8	Confident	74.7	Confident	63 Å²	63	74.1 Å²	74.1	44%	0.441	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71.8	127.7	171.3	56.3	0	0	0	0	109.9	K5 N341	K5-S7 PolarHBondContact O-N 3.26Å; K5-S7 VanDerWaalsContact O-N 3.09Å; S7-N341 WeakPolarHBondContact CA-O 3.46Å
8	E	88.9	Confident	75.7	Confident	49 Å²	49	74.2 Å²	74.2	23%	0.229	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.2	174.3	-170.9	172.5	163.8	0	0	108.9	R309 K340 N341 P343	E8-R309 IonicContact OE1-NE 2.82Å; E8-R309 IonicContact OE2-CZ 3.95Å; E8-R309 IonicContact OE2-NE 2.9Å; E8-R309 PolarHBondContact OE2-NE 3.32Å; E8-R309 IonicContact OE2-NH2 2.93Å; E8-K340 CarbonylContact O-C 3.6Å; E8-N341 PolarHBondContact N-O 3.26Å; E8-N341 PolarHBondContact O-N 2.69Å; E8-P343 HydrophobicContact CB-CG 4.04Å; E8-P343 WeakPolarHBondContact OE2-CG 2.84Å
9	T	92.1	Very high	76.5	Confident	66 Å²	66	72.8 Å²	72.8	41%	0.405	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	147.4	174.3	43.3	0	0	0	0	111.1	K11 I339 K340	T9-K11 PolarHBondContact O-N 2.74Å; T9-I339 CarbonylContact C-O 3.59Å; T9-I339 VanDerWaalsContact CA-O 3.27Å; T9-I339 WeakPolarHBondContact CA-O 3.37Å; T9-K340 HydrophobicContact CG2-CG 4.24Å
10	V	94	Very high	77	Confident	1 Å²	1	72 Å²	72	1%	0.006	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-61	123	169.8	174.7	0	0	0	0	108.5	V12 T310 I339	V10-V12 HydrophobicContact CG1-CG2 4.43Å; V10-T310 HydrophobicContact CG1-CG2 4.01Å; V10-I339 HydrophobicContact CB-CB 4.29Å; V10-I339 HydrophobicContact CG2-CB 3.72Å; V10-I339 HydrophobicContact CG2-CG2 3.73Å; V10-I339 PolarHBondContact N-O 2.95Å
11	K	95.4	Very high	77.5	Confident	84 Å²	84	74.2 Å²	74.2	37%	0.365	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.5	176.8	-67.4	-175.6	-178.2	-176.8	0	109.3	T9 T310 V311 M312	T9-K11 PolarHBondContact O-N 2.74Å; K11-T310 PolarHBondContact N-O 3.2Å; K11-V311 HydrophobicContact CB-CG2 4.06Å; K11-V311 CarbonylContact O-C 3.6Å; K11-V311 WeakPolarHBondContact O-CA 3.48Å; K11-M312 PolarHBondContact O-N 3.15Å
12	V	96.4	Very high	80.2	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.3	-179.1	-178.6	0	0	0	0	109.1	V10 F58 D59 M312 A333 A336 K337	V10-V12 HydrophobicContact CG1-CG2 4.43Å; V12-F58 HydrophobicContact CB-CD1 4.33Å; V12-F58 HydrophobicContact CG1-CD1 3.73Å; V12-F58 HydrophobicContact CG1-CE1 4.14Å; V12-D59 PolarHBondContact N-OD2 3.38Å; V12-D59 PolarHBondContact O-N 3.1Å; V12-M312 HydrophobicContact CG1-CB 4.47Å; V12-M312 HydrophobicContact CG1-SD 4.33Å; V12-M312 HydrophobicContact CG2-CB 4.15Å; V12-A333 HydrophobicContact CG1-CB 3.74Å; V12-A336 HydrophobicContact CG2-CB 4.09Å; V12-K337 HydrophobicContact CB-CB 4.02Å; V12-K337 HydrophobicContact CG2-CB 3.55Å
13	V	96.6	Very high	82.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.4	173	-58.4	0	0	0	0	110.5	S60 Y62 T75 V311 M312 V313 A314	V13-S60 VanDerWaalsContact CA-O 3.3Å; V13-S60 WeakPolarHBondContact CA-O 3.48Å; V13-Y62 HydrophobicContact CB-CD2 4.44Å; V13-Y62 HydrophobicContact CB-CE2 3.98Å; V13-Y62 HydrophobicContact CG1-CE2 4.27Å; V13-Y62 HydrophobicContact CG2-CE2 4.44Å; V13-T75 HydrophobicContact CG1-CG2 3.66Å; V13-T75 HydrophobicContact CG2-CG2 4.09Å; V13-V311 HydrophobicContact CG2-CG1 4.35Å; V13-M312 PolarHBondContact N-O 3.06Å; V13-V313 HydrophobicContact CG2-CB 4.33Å; V13-V313 HydrophobicContact CG2-CG1 4.29Å; V13-V313 HydrophobicContact CG2-CG2 3.96Å; V13-V313 WeakPolarHBondContact O-CA 3.43Å; V13-A314 PolarHBondContact O-N 3.09Å
14	V	97.2	Very high	85.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	-178.9	-169.6	0	0	0	0	110.4	I41 F58 S60 V61 Y62 A314 I316 L330	V14-I41 HydrophobicContact CB-CD1 3.43Å; V14-I41 VanDerWaalsContact CB-CD1 3.43Å; V14-I41 HydrophobicContact CG1-CD1 3.26Å; V14-I41 HydrophobicContact CG2-CD1 4.15Å; V14-F58 HydrophobicContact CB-CD2 4.36Å; V14-F58 HydrophobicContact CG2-CB 4.19Å; V14-F58 HydrophobicContact CG2-CD1 3.75Å; V14-F58 HydrophobicContact CG2-CD2 3.39Å; V14-F58 HydrophobicContact CG2-CE1 3.89Å; V14-F58 HydrophobicContact CG2-CE2 3.53Å; V14-F58 HydrophobicContact CG2-CG 3.49Å; V14-F58 VanDerWaalsContact CG2-CG 3.49Å; V14-F58 HydrophobicContact CG2-CZ 3.79Å; V14-S60 PolarHBondContact N-O 3.15Å; V14-V61 HydrophobicContact CB-CG1 4.46Å; V14-V61 WeakPolarHBondContact O-CA 3.42Å; V14-Y62 PolarHBondContact O-N 3.4Å; V14-A314 CarbonylContact C-O 3.59Å; V14-A314 WeakPolarHBondContact CA-O 3.44Å; V14-A314 HydrophobicContact CB-CB 4.39Å; V14-A314 HydrophobicContact CG1-CB 4.12Å; V14-A314 WeakPolarHBondContact CG1-O 3.37Å; V14-A314 HydrophobicContact CG2-CB 4.06Å; V14-I316 HydrophobicContact CG1-CD1 3.91Å; V14-I316 HydrophobicContact CG1-CG1 4.12Å; V14-I316 HydrophobicContact CG1-CG2 4.26Å; V14-L330 HydrophobicContact CG1-CD2 3.89Å; V14-L330 HydrophobicContact CG2-CD2 4.35Å
15	R	96.6	Very high	87.9	Confident	16 Å²	16	61.7 Å²	61.7	6%	0.06	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116	-177.9	-170.3	-176.3	-167.6	176.5	13.3	111.1	T104 V313 A314 I316	R15-T104 PolarHBondContact NH1-OG1 3.04Å; R15-V313 HydrophobicContact CB-CG1 4.49Å; R15-A314 PolarHBondContact N-O 3.41Å; R15-I316 PolarHBondContact O-N 3.07Å
16	C	95.8	Very high	89.7	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.1	173.4	-168.7	0	0	0	0	110.1	V34 Y62 D63 C64 I316	C16-V34 HydrophobicContact CB-CG2 3.82Å; C16-Y62 PolarHBondContact N-O 3.02Å; C16-D63 CarbonylContact O-C 3.58Å; C16-D63 VanDerWaalsContact O-C 3.29Å; C16-C64 PolarHBondContact O-N 3.43Å; C16-I316 HydrophobicContact CB-CD1 4.17Å; C16-I316 HydrophobicContact CB-CG1 3.91Å
17	R	94.1	Very high	91	Very high	37 Å²	37	60 Å²	60	14%	0.14	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-75	161.4	177	65.6	151.8	174.8	74.4	3.1	112.1	N20 E23 G98 I316 P318	R17-N20 PolarHBondContact NH2-ND2 3.36Å; R17-N20 VanDerWaalsContact NH2-ND2 3.17Å; R17-E23 IonicContact CZ-OE1 2.62Å; R17-E23 IonicContact CZ-OE2 3.02Å; R17-E23 IonicContact NH1-OE1 3.05Å; R17-E23 PolarHBondContact NH1-OE1 2.99Å; R17-E23 IonicContact NH1-OE2 2.72Å; R17-E23 PolarHBondContact NH1-OE2 3.5Å; R17-E23 IonicContact NH2-OE1 2.74Å; R17-E23 PolarHBondContact NH2-OE1 3.13Å; R17-E23 IonicContact NH2-OE2 2.7Å; R17-E23 PolarHBondContact NH2-OE2 2.9Å; R17-G98 PolarHBondContact NE-O 3.35Å; R17-I316 PolarHBondContact N-O 2.7Å; R17-P318 VanDerWaalsContact O-CD 3.25Å; R17-P318 WeakPolarHBondContact O-CD 3.25Å; R17-P318 WeakPolarHBondContact O-CG 3.11Å
18	P	92.7	Very high	91.6	Very high	76 Å²	76	60 Å²	60	49%	0.494	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-56.1	156.3	165.2	-22.3	32	0	0	0	112.7	N20 C64	P18-N20 PolarHBondContact O-N 3.45Å; P18-C64 HydrophobicContact CB-CB 4.27Å; P18-C64 HydrophobicContact CG-CB 3.98Å
19	M	89.6	Confident	91.5	Very high	48 Å²	48	64.1 Å²	64.1	24%	0.236	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-60.7	133.7	166.2	-88.2	-162.9	-77.1	0	0	110.2	E23 K24 Q30 P318	M19-E23 WeakPolarHBondContact CA-OE2 3.42Å; M19-E23 HydrophobicContact CG-CB 4.45Å; M19-E23 HydrophobicContact SD-CB 4.44Å; M19-K24 HydrophobicContact CB-CG 4.21Å; M19-K24 WeakPolarHBondContact O-CE 3.45Å; M19-K24 PolarHBondContact O-NZ 2.89Å; M19-Q30 HydrophobicContact CE-CB 4.11Å; M19-P318 HydrophobicContact CB-CG 4.33Å; M19-P318 HydrophobicContact CG-CB 4.33Å; M19-P318 HydrophobicContact CG-CG 3.55Å
20	N	87.8	Confident	91.3	Very high	57 Å²	57	66.3 Å²	66.3	31%	0.305	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-82.7	166.5	176.7	74.6	47.1	0	0	0	110.7	R17 P18 K22 E23 K24	R17-N20 PolarHBondContact NH2-ND2 3.36Å; R17-N20 VanDerWaalsContact NH2-ND2 3.17Å; P18-N20 PolarHBondContact O-N 3.45Å; N20-K22 VanDerWaalsContact C-N 3.3Å; N20-K22 PolarHBondContact O-N 3Å; N20-K22 WeakPolarHBondContact OD1-CA 3.4Å; N20-K22 WeakPolarHBondContact OD1-CB 3.15Å; N20-K22 PolarHBondContact OD1-N 3.46Å; N20-E23 PolarHBondContact N-OE2 3.28Å; N20-E23 PolarHBondContact ND2-OE1 3.01Å; N20-E23 PolarHBondContact ND2-OE2 2.65Å; N20-E23 WeakPolarHBondContact O-CB 3.35Å; N20-E23 PolarHBondContact O-N 3.15Å; N20-E23 VanDerWaalsContact O-N 3.16Å; N20-E23 WeakPolarHBondContact OD1-CG 3.5Å; N20-E23 PolarHBondContact OD1-N 3.48Å; N20-K24 WeakPolarHBondContact O-CG 3.4Å; N20-K24 PolarHBondContact O-N 3.03Å
21	D	87.8	Confident	91.1	Very high	119 Å²	119	67 Å²	67	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-72.8	-23.4	-171.4	-54.5	-42.4	0	0	0	113.3	K24 A25	D21-K24 IonicContact OD1-NZ 3.69Å; D21-K24 PolarHBondContact OD1-NZ 2.96Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.07Å
22	K	85.6	Confident	90.9	Very high	177 Å²	177	63.2 Å²	63.2	77%	0.77	32%	0.321	S	S	*	.	H	α-helix	trans	-68.3	-40.9	170	-62.9	-178.3	179.7	177.9	0	111.1	N20 A25 S26	N20-K22 VanDerWaalsContact C-N 3.3Å; N20-K22 PolarHBondContact O-N 3Å; N20-K22 WeakPolarHBondContact OD1-CA 3.4Å; N20-K22 WeakPolarHBondContact OD1-CB 3.15Å; N20-K22 PolarHBondContact OD1-N 3.46Å; K22-A25 PolarHBondContact O-N 3.45Å; K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 3.28Å; K22-S26 PolarHBondContact O-OG 2.95Å; K22-S26 VanDerWaalsContact O-OG 3.12Å
23	E	88.3	Confident	90.6	Very high	7 Å²	7	66.4 Å²	66.4	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-41.9	177	-69.4	163.1	164.9	0	0	111.6	R17 M19 N20 K27 F28 A319 N322	R17-E23 IonicContact CZ-OE1 2.62Å; R17-E23 IonicContact CZ-OE2 3.02Å; R17-E23 IonicContact NH1-OE1 3.05Å; R17-E23 PolarHBondContact NH1-OE1 2.99Å; R17-E23 IonicContact NH1-OE2 2.72Å; R17-E23 PolarHBondContact NH1-OE2 3.5Å; R17-E23 IonicContact NH2-OE1 2.74Å; R17-E23 PolarHBondContact NH2-OE1 3.13Å; R17-E23 IonicContact NH2-OE2 2.7Å; R17-E23 PolarHBondContact NH2-OE2 2.9Å; M19-E23 WeakPolarHBondContact CA-OE2 3.42Å; M19-E23 HydrophobicContact CG-CB 4.45Å; M19-E23 HydrophobicContact SD-CB 4.44Å; N20-E23 PolarHBondContact N-OE2 3.28Å; N20-E23 PolarHBondContact ND2-OE1 3.01Å; N20-E23 PolarHBondContact ND2-OE2 2.65Å; N20-E23 WeakPolarHBondContact O-CB 3.35Å; N20-E23 PolarHBondContact O-N 3.15Å; N20-E23 VanDerWaalsContact O-N 3.16Å; N20-E23 WeakPolarHBondContact OD1-CG 3.5Å; N20-E23 PolarHBondContact OD1-N 3.48Å; E23-K27 PolarHBondContact O-N 3.38Å; E23-F28 HydrophobicContact CB-CD2 4.13Å; E23-F28 HydrophobicContact CG-CD2 4.11Å; E23-F28 PolarHBondContact O-N 3.45Å; E23-A319 HydrophobicContact CB-CB 4.13Å; E23-A319 HydrophobicContact CG-CB 3.74Å; E23-N322 PolarHBondContact OE1-ND2 3.18Å
24	K	89.2	Confident	90.4	Very high	113 Å²	113	67.9 Å²	67.9	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-45.6	173.7	-64.7	171.9	-162.3	151.8	0	112	M19 N20 D21 S26 K27	M19-K24 HydrophobicContact CB-CG 4.21Å; M19-K24 WeakPolarHBondContact O-CE 3.45Å; M19-K24 PolarHBondContact O-NZ 2.89Å; N20-K24 WeakPolarHBondContact O-CG 3.4Å; N20-K24 PolarHBondContact O-N 3.03Å; D21-K24 IonicContact OD1-NZ 3.69Å; D21-K24 PolarHBondContact OD1-NZ 2.96Å; K24-S26 VanDerWaalsContact C-N 3.34Å; K24-S26 PolarHBondContact O-N 3.32Å; K24-K27 PolarHBondContact O-N 3.4Å
25	A	90.2	Very high	90.1	Very high	84 Å²	84	71.2 Å²	71.2	69%	0.694	37%	0.37	S	S	*	.	H	α-helix	trans	-62.6	-40.5	179.2	0	0	0	0	0	112	D21 K22 K27	D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.07Å; K22-A25 PolarHBondContact O-N 3.45Å; A25-K27 PolarHBondContact O-N 3.42Å
26	S	88.3	Confident	89.7	Confident	74 Å²	74	74 Å²	74	52%	0.517	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.4	173.4	-62.3	0	0	0	0	114.2	K22 K24 F28	K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 3.28Å; K22-S26 PolarHBondContact O-OG 2.95Å; K22-S26 VanDerWaalsContact O-OG 3.12Å; K24-S26 VanDerWaalsContact C-N 3.34Å; K24-S26 PolarHBondContact O-N 3.32Å; S26-F28 VanDerWaalsContact C-N 3.29Å; S26-F28 PolarHBondContact O-N 3.3Å
27	K	88	Confident	89.1	Confident	184 Å²	184	83.1 Å²	83.1	80%	0.8	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	38.6	-179.5	-56.8	-179.4	-179.4	177.9	0	114	E23 K24 A25	E23-K27 PolarHBondContact O-N 3.38Å; K24-K27 PolarHBondContact O-N 3.4Å; A25-K27 PolarHBondContact O-N 3.42Å
28	F	88.4	Confident	88.5	Confident	63 Å²	63	84.9 Å²	84.9	28%	0.276	44%	0.44	S	S	.	.			trans	-69.5	143.7	173.2	-63.6	-44	0	0	0	111.3	E23 S26 A319 Y321	E23-F28 HydrophobicContact CB-CD2 4.13Å; E23-F28 HydrophobicContact CG-CD2 4.11Å; E23-F28 PolarHBondContact O-N 3.45Å; S26-F28 VanDerWaalsContact C-N 3.29Å; S26-F28 PolarHBondContact O-N 3.3Å; F28-A319 HydrophobicContact CB-CB 4.04Å; F28-Y321 HydrophobicContact CE1-CD2 4.42Å; F28-Y321 HydrophobicContact CE1-CG 4.47Å; F28-Y321 HydrophobicContact CE2-CG 4.02Å; F28-Y321 AromaticContact CZ-CD2 3.99Å; F28-Y321 HydrophobicContact CZ-CD2 3.99Å; F28-Y321 AromaticContact CZ-CG 3.91Å; F28-Y321 HydrophobicContact CZ-CG 3.91Å
29	E	86.8	Confident	88.3	Confident	134 Å²	134	81.6 Å²	81.6	63%	0.626	42%	0.42	S	S	*	.			trans	-81.7	150.7	179.4	-64.1	-174.4	175.3	0	0	111.5	M31 A319 S320	E29-M31 HydrophobicContact CB-SD 4Å; E29-M31 PolarHBondContact O-N 3Å; E29-A319 CarbonylContact O-C 3.59Å; E29-A319 WeakPolarHBondContact O-CA 3.47Å; E29-S320 PolarHBondContact N-OG 3.13Å; E29-S320 PolarHBondContact O-N 3.45Å
30	Q	88.7	Confident	88.4	Confident	113 Å²	113	82.2 Å²	82.2	53%	0.528	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-82.3	107.3	172.5	176.5	166	-13.8	0	0	110.4	M19 V32 P318	M19-Q30 HydrophobicContact CE-CB 4.11Å; Q30-V32 WeakPolarHBondContact CG-O 3.35Å; Q30-V32 PolarHBondContact NE2-O 3.07Å; Q30-P318 CarbonylContact C-O 3.57Å; Q30-P318 WeakPolarHBondContact CA-O 3.46Å; Q30-P318 HydrophobicContact CG-CB 4.11Å
31	M	88.9	Confident	88.6	Confident	16 Å²	16	79.5 Å²	79.5	8%	0.079	41%	0.408	C	S	.	.			trans	-96.2	-10.2	-177.6	-56.2	-53.6	-77.9	0	0	113.6	E29 R44 P46 P318 S320 V323	E29-M31 HydrophobicContact CB-SD 4Å; E29-M31 PolarHBondContact O-N 3Å; M31-R44 HydrophobicContact CE-CB 3.77Å; M31-R44 VanDerWaalsContact CE-O 3.29Å; M31-R44 WeakPolarHBondContact CE-O 3.49Å; M31-R44 PolarHBondContact O-N 2.98Å; M31-P46 HydrophobicContact CE-CB 3.74Å; M31-P46 HydrophobicContact CE-CG 4.26Å; M31-P318 PolarHBondContact N-O 2.84Å; M31-S320 VanDerWaalsContact CG-CA 3.47Å; M31-S320 VanDerWaalsContact CG-CB 3.47Å; M31-V323 HydrophobicContact CB-CG2 4.44Å
32	V	91.6	Very high	88.8	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.024	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.1	-179.7	-174.3	0	0	0	0	110.4	Q30 V34 I41 V43 I316 T326	Q30-V32 WeakPolarHBondContact CG-O 3.35Å; Q30-V32 PolarHBondContact NE2-O 3.07Å; V32-V34 HydrophobicContact CG1-CG2 4.18Å; V32-I41 HydrophobicContact CG1-CG2 3.9Å; V32-V43 HydrophobicContact CG2-CG2 4.46Å; V32-I316 HydrophobicContact CG1-CD1 3.9Å; V32-T326 HydrophobicContact CG2-CG2 4.01Å
33	S	90.9	Very high	89	Confident	66 Å²	66	68.8 Å²	68.8	46%	0.462	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.3	168.7	-176.6	0	0	0	0	109.6	M42	S33-M42 PolarHBondContact N-O 3.4Å; S33-M42 PolarHBondContact O-N 2.92Å
34	V	92.8	Very high	88.9	Confident	34 Å²	34	75.4 Å²	75.4	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.2	-176.5	-174.9	0	0	0	0	108.9	C16 V32 V36 I41 V61 D63	C16-V34 HydrophobicContact CB-CG2 3.82Å; V32-V34 HydrophobicContact CG1-CG2 4.18Å; V34-V36 HydrophobicContact CG1-CG2 4.26Å; V34-I41 HydrophobicContact CG1-CG1 4.29Å; V34-I41 HydrophobicContact CG2-CG1 4.32Å; V34-V61 HydrophobicContact CG1-CB 4.06Å; V34-V61 HydrophobicContact CG1-CG2 3.64Å; V34-D63 HydrophobicContact CB-CB 4.12Å; V34-D63 HydrophobicContact CG1-CB 4.17Å
35	N	90.4	Very high	88.2	Confident	70 Å²	70	72.1 Å²	72.1	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	89	173.3	-173.3	-18.2	0	0	0	109.3	K37 L38 G39 Q40	N35-K37 VanDerWaalsContact C-N 3.32Å; N35-K37 PolarHBondContact O-N 2.94Å; N35-K37 PolarHBondContact OD1-N 3.31Å; N35-L38 WeakPolarHBondContact ND2-CD1 3.49Å; N35-L38 PolarHBondContact O-N 2.97Å; N35-L38 VanDerWaalsContact O-N 3.16Å; N35-L38 PolarHBondContact OD1-N 3.24Å; N35-G39 PolarHBondContact O-N 3.42Å; N35-Q40 HydrophobicContact CB-CB 4.36Å; N35-Q40 PolarHBondContact N-O 2.96Å; N35-Q40 PolarHBondContact O-N 3.04Å; N35-Q40 VanDerWaalsContact O-N 3.11Å
36	V	88.8	Confident	87.1	Confident	73 Å²	73	71.2 Å²	71.2	44%	0.442	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-51.7	-48.4	-177.9	-177.9	0	0	0	0	111.4	V34 L38 G39 D63	V34-V36 HydrophobicContact CG1-CG2 4.26Å; V36-L38 VanDerWaalsContact C-N 3.26Å; V36-L38 PolarHBondContact O-N 3.04Å; V36-G39 PolarHBondContact O-N 3.45Å; V36-G39 VanDerWaalsContact O-N 3.1Å; V36-D63 HydrophobicContact CG2-CB 4.22Å
37	K	81.9	Confident	86.1	Confident	196 Å²	196	76.9 Å²	76.9	85%	0.852	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-61.6	-28.7	-177.4	-64.4	-167.4	176.5	-165.6	0	114.4	N35	N35-K37 VanDerWaalsContact C-N 3.32Å; N35-K37 PolarHBondContact O-N 2.94Å; N35-K37 PolarHBondContact OD1-N 3.31Å
38	L	81.4	Confident	85	Confident	74 Å²	74	73 Å²	73	39%	0.387	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-96.3	-8.1	179.5	-64.2	-173.2	0	0	0	113.4	N35 V36 Q40 K506	N35-L38 WeakPolarHBondContact ND2-CD1 3.49Å; N35-L38 PolarHBondContact O-N 2.97Å; N35-L38 VanDerWaalsContact O-N 3.16Å; N35-L38 PolarHBondContact OD1-N 3.24Å; V36-L38 VanDerWaalsContact C-N 3.26Å; V36-L38 PolarHBondContact O-N 3.04Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 HydrophobicContact CB-CB 4.1Å; L38-Q40 HydrophobicContact CB-CG 3.9Å; L38-K506 PolarHBondContact O-NZ 3.4Å
39	G	89.2	Confident	83.5	Confident	7 Å²	7	75.2 Å²	75.2	7%	0.072	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	25.4	-169.5	0	0	0	0	0	112.6	N35 V36 T57 F58 V61	N35-G39 PolarHBondContact O-N 3.42Å; V36-G39 PolarHBondContact O-N 3.45Å; V36-G39 VanDerWaalsContact O-N 3.1Å; G39-T57 WeakPolarHBondContact O-CA 3.35Å; G39-F58 PolarHBondContact O-N 3.46Å; G39-V61 WeakPolarHBondContact O-CG1 3.34Å
40	Q	91.6	Very high	81.9	Confident	62 Å²	62	74.3 Å²	74.3	29%	0.29	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.2	-167.1	-76.5	179.4	-0.2	0	0	114.3	N35 L38 V55 F56 T57	N35-Q40 HydrophobicContact CB-CB 4.36Å; N35-Q40 PolarHBondContact N-O 2.96Å; N35-Q40 PolarHBondContact O-N 3.04Å; N35-Q40 VanDerWaalsContact O-N 3.11Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 HydrophobicContact CB-CB 4.1Å; L38-Q40 HydrophobicContact CB-CG 3.9Å; Q40-V55 HydrophobicContact CB-CG1 4.44Å; Q40-V55 HydrophobicContact CG-CG1 4.33Å; Q40-F56 CarbonylContact C-O 3.58Å; Q40-F56 VanDerWaalsContact CA-O 3.29Å; Q40-F56 WeakPolarHBondContact CA-O 3.42Å; Q40-T57 HydrophobicContact CG-CG2 4.19Å
41	I	92.6	Very high	80.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	171	-71	172.9	0	0	0	109.3	V14 V32 V34 V43 V55 F56 V61 I316 L330	V14-I41 HydrophobicContact CB-CD1 3.43Å; V14-I41 VanDerWaalsContact CB-CD1 3.43Å; V14-I41 HydrophobicContact CG1-CD1 3.26Å; V14-I41 HydrophobicContact CG2-CD1 4.15Å; V32-I41 HydrophobicContact CG1-CG2 3.9Å; V34-I41 HydrophobicContact CG1-CG1 4.29Å; V34-I41 HydrophobicContact CG2-CG1 4.32Å; I41-V43 HydrophobicContact CG2-CG2 4.13Å; I41-V55 CarbonylContact O-C 3.53Å; I41-V55 WeakPolarHBondContact O-CA 3.41Å; I41-F56 PolarHBondContact N-O 3.28Å; I41-F56 PolarHBondContact O-N 2.95Å; I41-V61 HydrophobicContact CD1-CB 4.16Å; I41-V61 HydrophobicContact CD1-CG1 3.97Å; I41-V61 HydrophobicContact CG1-CB 4.14Å; I41-V61 HydrophobicContact CG1-CG1 4Å; I41-I316 HydrophobicContact CD1-CD1 4.07Å; I41-I316 HydrophobicContact CG2-CD1 4.29Å; I41-L330 HydrophobicContact CB-CD2 4.5Å; I41-L330 HydrophobicContact CD1-CD2 4.18Å; I41-L330 HydrophobicContact CG2-CD1 3.99Å; I41-L330 HydrophobicContact CG2-CD2 4.18Å
42	M	90.9	Very high	79.9	Confident	68 Å²	68	78 Å²	78	34%	0.335	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	177.8	179.7	-176	-68	0	0	109.4	S33 P53 K54 V55	S33-M42 PolarHBondContact N-O 3.4Å; S33-M42 PolarHBondContact O-N 2.92Å; M42-P53 HydrophobicContact CG-CB 3.41Å; M42-P53 VanDerWaalsContact CG-CB 3.41Å; M42-P53 HydrophobicContact CG-CG 4.43Å; M42-P53 HydrophobicContact SD-CB 3.69Å; M42-P53 HydrophobicContact SD-CG 4.1Å; M42-K54 WeakPolarHBondContact CA-O 3.45Å; M42-V55 HydrophobicContact CB-CG2 4.28Å; M42-V55 HydrophobicContact CE-CG2 3.88Å; M42-V55 HydrophobicContact CG-CG2 4.13Å
43	V	90.8	Very high	79.4	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.012	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	176.5	-173.9	0	0	0	0	109.8	V32 I41 P53 K54 V323 T326 L327 L330	V32-V43 HydrophobicContact CG2-CG2 4.46Å; I41-V43 HydrophobicContact CG2-CG2 4.13Å; V43-P53 CarbonylContact O-C 3.6Å; V43-P53 WeakPolarHBondContact O-CA 3.3Å; V43-K54 PolarHBondContact N-O 3.36Å; V43-K54 PolarHBondContact O-N 2.59Å; V43-V323 HydrophobicContact CG1-CG2 3.62Å; V43-T326 HydrophobicContact CG2-CG2 4.4Å; V43-L327 HydrophobicContact CB-CD2 3.93Å; V43-L327 HydrophobicContact CG1-CD2 3.87Å; V43-L327 HydrophobicContact CG1-CG 4.14Å; V43-L327 HydrophobicContact CG2-CD2 4.29Å; V43-L330 HydrophobicContact CG2-CD1 3.38Å
44	R	85.5	Confident	79.1	Confident	146 Å²	146	78.9 Å²	78.9	55%	0.551	41%	0.407	S	S	*	.			trans	-97.6	135.7	174	-65.6	-179.7	-177.6	175.8	0.8	110.2	M31 P53	M31-R44 HydrophobicContact CE-CB 3.77Å; M31-R44 VanDerWaalsContact CE-O 3.29Å; M31-R44 WeakPolarHBondContact CE-O 3.49Å; M31-R44 PolarHBondContact O-N 2.98Å; R44-P53 HydrophobicContact CG-CB 4.23Å; R44-P53 HydrophobicContact CG-CG 4.22Å
45	N	74.4	Confident	78.9	Confident	44 Å²	44	80.7 Å²	80.7	24%	0.235	42%	0.418	C	S	.	.			trans	-86.6	121.3	175.9	-175.1	-6.8	0	0	0	109.6	R47 E51	N45-R47 VanDerWaalsContact C-N 3.31Å; N45-R47 PolarHBondContact O-N 3.42Å; N45-R47 PolarHBondContact OD1-N 2.88Å; N45-E51 WeakPolarHBondContact CB-OE2 3.44Å; N45-E51 PolarHBondContact ND2-OE2 3.2Å
46	P	67.6	Low	79	Confident	65 Å²	65	78.4 Å²	78.4	42%	0.422	41%	0.405	S	S	.	.	S	Bend	trans	-75	-18.8	179.5	28.6	-32.5	0	0	0	113.4	M31 V323	M31-P46 HydrophobicContact CE-CB 3.74Å; M31-P46 HydrophobicContact CE-CG 4.26Å; P46-V323 HydrophobicContact CG-CG1 3.99Å
47	R	66.8	Low	79.1	Confident	193 Å²	193	77.8 Å²	77.8	73%	0.728	40%	0.401	S	S	*	.	S	Bend	trans	-84.6	-22.6	-178.6	-64.2	-171.3	-175.1	134.6	9.3	113	N45 E324	N45-R47 VanDerWaalsContact C-N 3.31Å; N45-R47 PolarHBondContact O-N 3.42Å; N45-R47 PolarHBondContact OD1-N 2.88Å; R47-E324 IonicContact CZ-OE1 2.73Å; R47-E324 IonicContact NH1-OE1 2.66Å; R47-E324 PolarHBondContact NH1-OE1 3.42Å; R47-E324 IonicContact NH2-OE1 3.66Å; R47-E324 PolarHBondContact NH2-OE1 3.2Å
48	E	64.4	Low	79.7	Confident	102 Å²	102	69 Å²	69	48%	0.477	36%	0.363	S	S	.	.			trans	-132.2	83.8	-176.1	-65.8	-173.3	-160.7	0	0	111.4	S50 E51	E48-S50 PolarHBondContact O-N 3.05Å; E48-S50 VanDerWaalsContact O-N 3.07Å; E48-E51 HydrophobicContact CB-CB 3.86Å; E48-E51 WeakPolarHBondContact O-CB 3.44Å; E48-E51 PolarHBondContact O-N 3.42Å
49	A	57.2	Low	80.2	Confident	111 Å²	111	69.5 Å²	69.5	92%	0.917	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.1	179	0	0	0	0	0	114.4
50	S	53.5	Low	80.4	Confident	114 Å²	114	70.3 Å²	70.3	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-12	173.4	52.2	0	0	0	0	114.1	E48	E48-S50 PolarHBondContact O-N 3.05Å; E48-S50 VanDerWaalsContact O-N 3.07Å
51	E	64.6	Low	80.5	Confident	49 Å²	49	67.5 Å²	67.5	23%	0.229	36%	0.358	C	S	.	.	S	Bend	trans	-76.2	138.4	-179.8	-160.8	-175	-163.1	0	0	110.2	N45 E48 K54	N45-E51 WeakPolarHBondContact CB-OE2 3.44Å; N45-E51 PolarHBondContact ND2-OE2 3.2Å; E48-E51 HydrophobicContact CB-CB 3.86Å; E48-E51 WeakPolarHBondContact O-CB 3.44Å; E48-E51 PolarHBondContact O-N 3.42Å; E51-K54 WeakPolarHBondContact OE1-CE 3.08Å; E51-K54 IonicContact OE1-NZ 3.92Å; E51-K54 PolarHBondContact OE1-NZ 3Å; E51-K54 WeakPolarHBondContact OE2-CE 3.35Å; E51-K54 IonicContact OE2-NZ 3.49Å
52	H	70.5	Confident	80.6	Confident	157 Å²	157	67.8 Å²	67.8	73%	0.727	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.3	138.5	174.8	-77.2	-52.3	0	0	0	110.4	K54	H52-K54 PolarHBondContact O-N 3.06Å
53	P	80.6	Confident	80.7	Confident	50 Å²	50	66.3 Å²	66.3	33%	0.325	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-55.7	132.3	178.4	-24.9	33.8	0	0	0	111.7	M42 V43 R44 V55	M42-P53 HydrophobicContact CG-CB 3.41Å; M42-P53 VanDerWaalsContact CG-CB 3.41Å; M42-P53 HydrophobicContact CG-CG 4.43Å; M42-P53 HydrophobicContact SD-CB 3.69Å; M42-P53 HydrophobicContact SD-CG 4.1Å; V43-P53 CarbonylContact O-C 3.6Å; V43-P53 WeakPolarHBondContact O-CA 3.3Å; R44-P53 HydrophobicContact CG-CB 4.23Å; R44-P53 HydrophobicContact CG-CG 4.22Å; P53-V55 PolarHBondContact O-N 2.97Å
54	K	85.5	Confident	80.6	Confident	40 Å²	40	68.9 Å²	68.9	17%	0.174	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.6	-178.5	-58.2	-169.5	-178	-170.5	0	108.4	M42 V43 E51 H52 F56 L327 D553	M42-K54 WeakPolarHBondContact CA-O 3.45Å; V43-K54 PolarHBondContact N-O 3.36Å; V43-K54 PolarHBondContact O-N 2.59Å; E51-K54 WeakPolarHBondContact OE1-CE 3.08Å; E51-K54 IonicContact OE1-NZ 3.92Å; E51-K54 PolarHBondContact OE1-NZ 3Å; E51-K54 WeakPolarHBondContact OE2-CE 3.35Å; E51-K54 IonicContact OE2-NZ 3.49Å; H52-K54 PolarHBondContact O-N 3.06Å; K54-F56 HydrophobicContact CB-CE2 3.94Å; K54-F56 HydrophobicContact CB-CZ 4.36Å; K54-L327 HydrophobicContact CB-CD2 4.38Å; K54-L327 HydrophobicContact CD-CD2 4.33Å; K54-D553 VanDerWaalsContact NZ-CG 3.27Å; K54-D553 IonicContact NZ-OD1 3.1Å; K54-D553 PolarHBondContact NZ-OD1 3.04Å; K54-D553 IonicContact NZ-OD2 3.95Å; K54-D553 PolarHBondContact NZ-OD2 3.17Å
55	V	88.8	Confident	80.8	Confident	71 Å²	71	68 Å²	68	43%	0.43	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.5	-175.5	-178	0	0	0	0	109.9	Q40 I41 M42 P53	Q40-V55 HydrophobicContact CB-CG1 4.44Å; Q40-V55 HydrophobicContact CG-CG1 4.33Å; I41-V55 CarbonylContact O-C 3.53Å; I41-V55 WeakPolarHBondContact O-CA 3.41Å; M42-V55 HydrophobicContact CB-CG2 4.28Å; M42-V55 HydrophobicContact CE-CG2 3.88Å; M42-V55 HydrophobicContact CG-CG2 4.13Å; P53-V55 PolarHBondContact O-N 2.97Å
56	F	91.6	Very high	81.5	Confident	23 Å²	23	67.1 Å²	67.1	10%	0.101	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.7	178.5	-58.4	-92	0	0	0	109.9	Q40 I41 K54 F58 L327 L330 R331 N334	Q40-F56 CarbonylContact C-O 3.58Å; Q40-F56 VanDerWaalsContact CA-O 3.29Å; Q40-F56 WeakPolarHBondContact CA-O 3.42Å; I41-F56 PolarHBondContact N-O 3.28Å; I41-F56 PolarHBondContact O-N 2.95Å; K54-F56 HydrophobicContact CB-CE2 3.94Å; K54-F56 HydrophobicContact CB-CZ 4.36Å; F56-F58 HydrophobicContact CB-CD2 4.3Å; F56-F58 HydrophobicContact CB-CE2 3.37Å; F56-F58 HydrophobicContact CB-CZ 3.71Å; F56-F58 HydrophobicContact CG-CE2 4.39Å; F56-F58 HydrophobicContact CG-CZ 4.39Å; F56-L327 HydrophobicContact CE2-CD2 4.08Å; F56-L327 HydrophobicContact CZ-CD2 4.29Å; F56-L330 HydrophobicContact CD1-CB 4.32Å; F56-L330 HydrophobicContact CD2-CB 4.09Å; F56-L330 HydrophobicContact CD2-CD1 3.97Å; F56-L330 HydrophobicContact CD2-CG 4.49Å; F56-L330 HydrophobicContact CE1-CB 4.27Å; F56-L330 HydrophobicContact CE2-CB 4.04Å; F56-L330 HydrophobicContact CE2-CD1 4.03Å; F56-L330 HydrophobicContact CG-CB 4.23Å; F56-L330 HydrophobicContact CZ-CB 4.13Å; F56-R331 HydrophobicContact CE1-CG 4.33Å; F56-R331 HydrophobicContact CZ-CG 4.45Å; F56-N334 HydrophobicContact CD1-CB 4.26Å
57	T	92	Very high	82.6	Confident	59 Å²	59	68.8 Å²	68.8	36%	0.362	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.8	178.1	-48.1	0	0	0	0	110.4	G39 Q40 K337	G39-T57 WeakPolarHBondContact O-CA 3.35Å; Q40-T57 HydrophobicContact CG-CG2 4.19Å; T57-K337 PolarHBondContact O-NZ 2.79Å
58	F	94.4	Very high	83.8	Confident	13 Å²	13	59.9 Å²	59.9	6%	0.057	34%	0.34	C	S	.	.			trans	-129	176.3	-175.8	-60.2	-79.5	0	0	0	111.1	V12 V14 G39 F56 V61 L330 A333 N334	V12-F58 HydrophobicContact CB-CD1 4.33Å; V12-F58 HydrophobicContact CG1-CD1 3.73Å; V12-F58 HydrophobicContact CG1-CE1 4.14Å; V14-F58 HydrophobicContact CB-CD2 4.36Å; V14-F58 HydrophobicContact CG2-CB 4.19Å; V14-F58 HydrophobicContact CG2-CD1 3.75Å; V14-F58 HydrophobicContact CG2-CD2 3.39Å; V14-F58 HydrophobicContact CG2-CE1 3.89Å; V14-F58 HydrophobicContact CG2-CE2 3.53Å; V14-F58 HydrophobicContact CG2-CG 3.49Å; V14-F58 VanDerWaalsContact CG2-CG 3.49Å; V14-F58 HydrophobicContact CG2-CZ 3.79Å; G39-F58 PolarHBondContact O-N 3.46Å; F56-F58 HydrophobicContact CB-CD2 4.3Å; F56-F58 HydrophobicContact CB-CE2 3.37Å; F56-F58 HydrophobicContact CB-CZ 3.71Å; F56-F58 HydrophobicContact CG-CE2 4.39Å; F56-F58 HydrophobicContact CG-CZ 4.39Å; F58-V61 HydrophobicContact CB-CG1 3.99Å; F58-V61 HydrophobicContact CD2-CG1 3.97Å; F58-V61 HydrophobicContact CG-CG1 4.45Å; F58-L330 HydrophobicContact CE2-CD2 3.67Å; F58-L330 HydrophobicContact CZ-CD2 3.74Å; F58-A333 HydrophobicContact CE1-CB 3.68Å; F58-A333 HydrophobicContact CZ-CB 4.21Å; F58-N334 HydrophobicContact CE1-CB 4.22Å; F58-N334 HydrophobicContact CZ-CB 4.46Å
59	D	92.1	Very high	84.9	Confident	84 Å²	84	58.4 Å²	58.4	45%	0.449	34%	0.335	S	S	.	.	S	Bend	trans	-63.4	-50.8	179.4	-62.1	-80.6	0	0	0	111.2	V12	V12-D59 PolarHBondContact N-OD2 3.38Å; V12-D59 PolarHBondContact O-N 3.1Å
60	S	92.8	Very high	86.3	Confident	24 Å²	24	56.8 Å²	56.8	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150	170.4	-58.2	0	0	0	0	110.7	V13 V14 E74	V13-S60 VanDerWaalsContact CA-O 3.3Å; V13-S60 WeakPolarHBondContact CA-O 3.48Å; V14-S60 PolarHBondContact N-O 3.15Å; S60-E74 VanDerWaalsContact CB-OE1 3.24Å; S60-E74 WeakPolarHBondContact CB-OE1 3.4Å; S60-E74 PolarHBondContact OG-OE1 3.07Å
61	V	94.1	Very high	88.1	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.8	176.4	-56.6	0	0	0	0	111.1	V14 V34 G39 I41 F58	V14-V61 HydrophobicContact CB-CG1 4.46Å; V14-V61 WeakPolarHBondContact O-CA 3.42Å; V34-V61 HydrophobicContact CG1-CB 4.06Å; V34-V61 HydrophobicContact CG1-CG2 3.64Å; G39-V61 WeakPolarHBondContact O-CG1 3.34Å; I41-V61 HydrophobicContact CD1-CB 4.16Å; I41-V61 HydrophobicContact CD1-CG1 3.97Å; I41-V61 HydrophobicContact CG1-CB 4.14Å; I41-V61 HydrophobicContact CG1-CG1 4Å; F58-V61 HydrophobicContact CB-CG1 3.99Å; F58-V61 HydrophobicContact CD2-CG1 3.97Å; F58-V61 HydrophobicContact CG-CG1 4.45Å
62	Y	94.5	Very high	89.4	Confident	6 Å²	6	49.4 Å²	49.4	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.8	-171.8	-61.5	-84.3	0	0	0	110.3	V13 V14 C16 L71 E74 T75	V13-Y62 HydrophobicContact CB-CD2 4.44Å; V13-Y62 HydrophobicContact CB-CE2 3.98Å; V13-Y62 HydrophobicContact CG1-CE2 4.27Å; V13-Y62 HydrophobicContact CG2-CE2 4.44Å; V14-Y62 PolarHBondContact O-N 3.4Å; C16-Y62 PolarHBondContact N-O 3.02Å; Y62-L71 HydrophobicContact CD1-CD1 3.91Å; Y62-L71 HydrophobicContact CD2-CD1 3.35Å; Y62-L71 HydrophobicContact CE1-CB 4.47Å; Y62-L71 HydrophobicContact CE1-CD1 3.79Å; Y62-L71 HydrophobicContact CE2-CD1 3.23Å; Y62-L71 HydrophobicContact CG-CD1 3.68Å; Y62-L71 VanDerWaalsContact CZ-CD1 3.44Å; Y62-E74 PolarHBondContact OH-OE1 2.79Å; Y62-E74 PolarHBondContact OH-OE2 3.4Å; Y62-E74 VanDerWaalsContact OH-OE2 3.13Å; Y62-T75 PolarHBondContact OH-OG1 2.94Å
63	D	92.4	Very high	90.3	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.203	24%	0.239	C	C	.	.			trans	-88.5	-174.9	-178.5	80.4	-19	0	0	0	112	C16 V34 V36 N65 S66	C16-D63 CarbonylContact O-C 3.58Å; C16-D63 VanDerWaalsContact O-C 3.29Å; V34-D63 HydrophobicContact CB-CB 4.12Å; V34-D63 HydrophobicContact CG1-CB 4.17Å; V36-D63 HydrophobicContact CG2-CB 4.22Å; D63-N65 PolarHBondContact O-N 3.1Å; D63-N65 WeakPolarHBondContact OD1-CA 3.41Å; D63-N65 PolarHBondContact OD1-N 2.64Å; D63-N65 PolarHBondContact OD2-ND2 2.8Å; D63-S66 PolarHBondContact N-OG 2.93Å; D63-S66 WeakPolarHBondContact O-CB 3.34Å; D63-S66 PolarHBondContact O-N 2.75Å; D63-S66 PolarHBondContact O-OG 3.16Å; D63-S66 PolarHBondContact OD1-N 3.48Å; D63-S66 PolarHBondContact OD1-OG 3.33Å
64	C	89	Confident	90.7	Very high	56 Å²	56	46.3 Å²	46.3	38%	0.378	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.9	178.4	54.9	0	0	0	0	114.7	C16 P18	C16-C64 PolarHBondContact O-N 3.43Å; P18-C64 HydrophobicContact CB-CB 4.27Å; P18-C64 HydrophobicContact CG-CB 3.98Å
65	N	89.6	Confident	90.9	Very high	128 Å²	128	45 Å²	45	68%	0.684	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.1	-179.9	-54.9	-64.1	0	0	0	112.8	D63 K67	D63-N65 PolarHBondContact O-N 3.1Å; D63-N65 WeakPolarHBondContact OD1-CA 3.41Å; D63-N65 PolarHBondContact OD1-N 2.64Å; D63-N65 PolarHBondContact OD2-ND2 2.8Å; N65-K67 PolarHBondContact O-N 3.39Å
66	S	89.8	Confident	91.2	Very high	24 Å²	24	41.7 Å²	41.7	17%	0.168	22%	0.222	C	C	.	.			trans	-67.1	123.5	-172.9	-60.6	0	0	0	0	112.7	D63	D63-S66 PolarHBondContact N-OG 2.93Å; D63-S66 WeakPolarHBondContact O-CB 3.34Å; D63-S66 PolarHBondContact O-N 2.75Å; D63-S66 PolarHBondContact O-OG 3.16Å; D63-S66 PolarHBondContact OD1-N 3.48Å; D63-S66 PolarHBondContact OD1-OG 3.33Å
67	K	90.3	Very high	91.2	Very high	100 Å²	100	43.8 Å²	43.8	44%	0.435	23%	0.229	S	C	.	.			trans	-78.5	166.6	-177.9	-54.4	-174.5	173.6	-163.3	0	111.9	N65 I69 D70 L71	N65-K67 PolarHBondContact O-N 3.39Å; K67-I69 HydrophobicContact CB-CG2 4.27Å; K67-D70 VanDerWaalsContact CB-OD2 3.22Å; K67-D70 WeakPolarHBondContact CB-OD2 3.45Å; K67-D70 WeakPolarHBondContact CG-OD2 3.23Å; K67-D70 PolarHBondContact N-OD2 3.45Å; K67-D70 VanDerWaalsContact N-OD2 3.13Å; K67-L71 PolarHBondContact O-N 3.36Å
68	Q	91.1	Very high	91.3	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-37.8	175.9	-59.8	-83.2	63.4	0	0	112.5	Y72 Y103 R114 R115	Q68-Y72 WeakPolarHBondContact O-CB 3.26Å; Q68-Y72 PolarHBondContact O-N 3.03Å; Q68-Y103 PolarHBondContact NE2-O 2.85Å; Q68-R114 PolarHBondContact NE2-O 2.82Å; Q68-R115 WeakPolarHBondContact CB-O 3.43Å; Q68-R115 WeakPolarHBondContact CG-O 3.17Å; Q68-R115 PolarHBondContact NE2-O 2.61Å
69	I	88.6	Confident	91.3	Very high	71 Å²	71	43.3 Å²	43.3	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-69.9	-40.9	-177.2	-168.4	62.9	0	0	0	111.5	K67 L71 Y72 D73	K67-I69 HydrophobicContact CB-CG2 4.27Å; I69-L71 PolarHBondContact O-N 3.46Å; I69-Y72 WeakPolarHBondContact O-CB 3.4Å; I69-Y72 PolarHBondContact O-N 3.15Å; I69-Y72 VanDerWaalsContact O-N 3.12Å; I69-D73 PolarHBondContact O-N 3.34Å
70	D	87.1	Confident	91.5	Very high	77 Å²	77	39.3 Å²	39.3	41%	0.412	21%	0.206	S	C	.	.	H	α-helix	trans	-58	-49.5	175.2	-44.4	-26.3	0	0	0	110.3	K67 Y72 D73 E74	K67-D70 VanDerWaalsContact CB-OD2 3.22Å; K67-D70 WeakPolarHBondContact CB-OD2 3.45Å; K67-D70 WeakPolarHBondContact CG-OD2 3.23Å; K67-D70 PolarHBondContact N-OD2 3.45Å; K67-D70 VanDerWaalsContact N-OD2 3.13Å; D70-Y72 VanDerWaalsContact C-N 3.28Å; D70-Y72 PolarHBondContact O-N 3.14Å; D70-D73 PolarHBondContact O-N 3.26Å; D70-E74 WeakPolarHBondContact O-CB 3.44Å; D70-E74 PolarHBondContact O-N 3.18Å
71	L	90.4	Very high	91.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-38.5	175.8	-174.3	68.5	0	0	0	112.3	Y62 K67 I69 T75 F76 T104	Y62-L71 HydrophobicContact CD1-CD1 3.91Å; Y62-L71 HydrophobicContact CD2-CD1 3.35Å; Y62-L71 HydrophobicContact CE1-CB 4.47Å; Y62-L71 HydrophobicContact CE1-CD1 3.79Å; Y62-L71 HydrophobicContact CE2-CD1 3.23Å; Y62-L71 HydrophobicContact CG-CD1 3.68Å; Y62-L71 VanDerWaalsContact CZ-CD1 3.44Å; K67-L71 PolarHBondContact O-N 3.36Å; I69-L71 PolarHBondContact O-N 3.46Å; L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3.05Å; L71-F76 HydrophobicContact CD1-CZ 4.38Å; L71-F76 HydrophobicContact CD2-CE2 3.92Å; L71-F76 HydrophobicContact CD2-CZ 4.2Å; L71-F76 HydrophobicContact CG-CE2 3.64Å; L71-F76 HydrophobicContact CG-CZ 3.95Å; L71-T104 HydrophobicContact CD2-CG2 3.74Å
72	Y	93	Very high	91.5	Very high	6 Å²	6	41 Å²	41	2%	0.024	21%	0.214	C	C	.	.	I	π-helix	trans	-69.7	-51.6	178.1	-174	-88.2	0	0	0	112.3	Q68 I69 D70 F76 R77 V117 N120 S121 H124	Q68-Y72 WeakPolarHBondContact O-CB 3.26Å; Q68-Y72 PolarHBondContact O-N 3.03Å; I69-Y72 WeakPolarHBondContact O-CB 3.4Å; I69-Y72 PolarHBondContact O-N 3.15Å; I69-Y72 VanDerWaalsContact O-N 3.12Å; D70-Y72 VanDerWaalsContact C-N 3.28Å; D70-Y72 PolarHBondContact O-N 3.14Å; Y72-F76 HydrophobicContact CD2-CB 3.95Å; Y72-F76 HydrophobicContact CD2-CD2 4.09Å; Y72-F76 HydrophobicContact CE2-CB 4.13Å; Y72-F76 HydrophobicContact CG-CB 4.48Å; Y72-F76 CarbonylContact O-C 3.6Å; Y72-F76 PolarHBondContact O-N 3.32Å; Y72-R77 HydrophobicContact CD1-CB 4.29Å; Y72-R77 HydrophobicContact CE1-CB 3.98Å; Y72-R77 WeakPolarHBondContact O-CB 3.4Å; Y72-R77 PolarHBondContact O-N 3.15Å; Y72-V117 HydrophobicContact CD2-CB 4.4Å; Y72-V117 HydrophobicContact CD2-CG2 3.92Å; Y72-V117 HydrophobicContact CE2-CG2 3.96Å; Y72-N120 HydrophobicContact CD1-CB 4.32Å; Y72-N120 HydrophobicContact CD2-CB 3.48Å; Y72-N120 VanDerWaalsContact CD2-CB 3.48Å; Y72-N120 HydrophobicContact CE1-CB 4.44Å; Y72-N120 HydrophobicContact CE2-CB 3.62Å; Y72-N120 HydrophobicContact CG-CB 3.88Å; Y72-N120 PolarHBondContact OH-O 3.45Å; Y72-S121 WeakPolarHBondContact OH-CA 3.46Å; Y72-H124 HydrophobicContact CE1-CB 4.42Å; Y72-H124 VanDerWaalsContact OH-CB 3.29Å; Y72-H124 WeakPolarHBondContact OH-CB 3.32Å; Y72-H124 PolarHBondContact OH-ND1 3.45Å
73	D	89.5	Confident	91.5	Very high	39 Å²	39	40.8 Å²	40.8	21%	0.209	21%	0.213	C	C	.	.	I	π-helix	trans	-71.7	-33.1	-173.9	-77.7	-40.9	0	0	0	113	I69 D70 R77 R492	I69-D73 PolarHBondContact O-N 3.34Å; D70-D73 PolarHBondContact O-N 3.26Å; D73-R77 IonicContact OD1-NE 3.68Å; D73-R77 PolarHBondContact OD1-NE 3.19Å; D73-R492 IonicContact OD1-CZ 3.63Å; D73-R492 IonicContact OD1-NH1 3.86Å; D73-R492 PolarHBondContact OD1-NH1 2.69Å; D73-R492 IonicContact OD1-NH2 3.94Å; D73-R492 IonicContact OD2-CZ 3.62Å; D73-R492 IonicContact OD2-NH1 3.44Å; D73-R492 PolarHBondContact OD2-NH1 2.97Å; D73-R492 VanDerWaalsContact OD2-NH1 3.1Å; D73-R492 IonicContact OD2-NH2 3.32Å; D73-R492 PolarHBondContact OD2-NH2 3.12Å
74	E	87.6	Confident	91.5	Very high	102 Å²	102	39.2 Å²	39.2	48%	0.477	21%	0.205	S	C	.	.	I	π-helix	trans	-75.4	-49.7	176.3	-172.3	-171.9	149.2	0	0	112.2	S60 Y62 D70	S60-E74 VanDerWaalsContact CB-OE1 3.24Å; S60-E74 WeakPolarHBondContact CB-OE1 3.4Å; S60-E74 PolarHBondContact OG-OE1 3.07Å; Y62-E74 PolarHBondContact OH-OE1 2.79Å; Y62-E74 PolarHBondContact OH-OE2 3.4Å; Y62-E74 VanDerWaalsContact OH-OE2 3.13Å; D70-E74 WeakPolarHBondContact O-CB 3.44Å; D70-E74 PolarHBondContact O-N 3.18Å
75	T	90.4	Very high	91.6	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.08	21%	0.211	C	C	.	.	I	π-helix	trans	-102.7	-45.9	-168.3	-58.7	0	0	0	0	114	V13 Y62 L71 V311	V13-T75 HydrophobicContact CG1-CG2 3.66Å; V13-T75 HydrophobicContact CG2-CG2 4.09Å; Y62-T75 PolarHBondContact OH-OG1 2.94Å; L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3.05Å; T75-V311 HydrophobicContact CG2-CG1 3.68Å; T75-V311 HydrophobicContact CG2-CG2 4.28Å
76	F	94.5	Very high	91.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.18	C	C	.	.	I	π-helix	trans	-91.9	-36.3	-166.4	-53.9	-40.7	0	0	0	113.3	L71 Y72 L79 V80 I91 T104 V117 V311 V313	L71-F76 HydrophobicContact CD1-CZ 4.38Å; L71-F76 HydrophobicContact CD2-CE2 3.92Å; L71-F76 HydrophobicContact CD2-CZ 4.2Å; L71-F76 HydrophobicContact CG-CE2 3.64Å; L71-F76 HydrophobicContact CG-CZ 3.95Å; Y72-F76 HydrophobicContact CD2-CB 3.95Å; Y72-F76 HydrophobicContact CD2-CD2 4.09Å; Y72-F76 HydrophobicContact CE2-CB 4.13Å; Y72-F76 HydrophobicContact CG-CB 4.48Å; Y72-F76 CarbonylContact O-C 3.6Å; Y72-F76 PolarHBondContact O-N 3.32Å; F76-L79 WeakPolarHBondContact O-CB 3.2Å; F76-L79 PolarHBondContact O-N 3.09Å; F76-V80 PolarHBondContact O-N 2.91Å; F76-I91 HydrophobicContact CB-CD1 3.94Å; F76-I91 HydrophobicContact CD1-CD1 3.79Å; F76-I91 HydrophobicContact CD1-CG1 4.43Å; F76-I91 HydrophobicContact CD1-CG2 4.04Å; F76-I91 HydrophobicContact CE1-CG2 3.83Å; F76-I91 HydrophobicContact CG-CD1 4Å; F76-I91 HydrophobicContact CZ-CG2 4.47Å; F76-T104 HydrophobicContact CE2-CG2 4.27Å; F76-T104 HydrophobicContact CZ-CG2 4.21Å; F76-V117 HydrophobicContact CB-CG2 3.72Å; F76-V117 HydrophobicContact CD1-CG2 4.3Å; F76-V117 HydrophobicContact CD2-CB 3.62Å; F76-V117 HydrophobicContact CD2-CG2 3.26Å; F76-V117 HydrophobicContact CE2-CB 3.82Å; F76-V117 HydrophobicContact CE2-CG2 3.92Å; F76-V117 HydrophobicContact CG-CB 4.33Å; F76-V117 HydrophobicContact CG-CG2 3.51Å; F76-V311 HydrophobicContact CD1-CG1 4.16Å; F76-V311 HydrophobicContact CE1-CG1 3.82Å; F76-V313 HydrophobicContact CE1-CG2 3.59Å; F76-V313 HydrophobicContact CZ-CG2 3.54Å
77	R	92.7	Very high	91.9	Very high	66 Å²	66	35.4 Å²	35.4	25%	0.249	18%	0.178	C	C	.	.	H	α-helix	trans	-50.2	-51.7	178.1	160.2	174.4	-81	-74.3	-0.9	112.3	Y72 D73 L79 V80 D81 H124	Y72-R77 HydrophobicContact CD1-CB 4.29Å; Y72-R77 HydrophobicContact CE1-CB 3.98Å; Y72-R77 WeakPolarHBondContact O-CB 3.4Å; Y72-R77 PolarHBondContact O-N 3.15Å; D73-R77 IonicContact OD1-NE 3.68Å; D73-R77 PolarHBondContact OD1-NE 3.19Å; R77-L79 PolarHBondContact O-N 2.83Å; R77-L79 VanDerWaalsContact O-N 3.16Å; R77-V80 PolarHBondContact O-N 2.85Å; R77-D81 WeakPolarHBondContact CG-OD2 3.38Å; R77-D81 VanDerWaalsContact O-CG 3.26Å; R77-D81 PolarHBondContact O-N 2.88Å; R77-H124 PolarHBondContact NH1-CE1 3.29Å; R77-H124 VanDerWaalsContact NH1-CE1 3.34Å; R77-H124 PolarHBondContact NH1-NE2 3.42Å
78	P	93.3	Very high	92.1	Very high	54 Å²	54	31.7 Å²	31.7	35%	0.351	16%	0.162	S	C	.	.	H	α-helix	trans	-60.9	-27.8	178.4	-24.4	34.7	0	0	0	114.6	S82	P78-S82 PolarHBondContact O-N 2.78Å; P78-S82 VanDerWaalsContact O-N 3.15Å; P78-S82 PolarHBondContact O-OG 2.98Å
79	L	94.7	Very high	92.3	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-76.7	-39.7	175	-175.9	151	0	0	0	110.9	F76 R77 S82 V83 I91 L240 R309 V311	F76-L79 WeakPolarHBondContact O-CB 3.2Å; F76-L79 PolarHBondContact O-N 3.09Å; R77-L79 PolarHBondContact O-N 2.83Å; R77-L79 VanDerWaalsContact O-N 3.16Å; L79-S82 VanDerWaalsContact O-CB 3.29Å; L79-S82 WeakPolarHBondContact O-CB 3.4Å; L79-S82 PolarHBondContact O-N 3.39Å; L79-V83 HydrophobicContact CD2-CG2 4.48Å; L79-V83 PolarHBondContact O-N 3.2Å; L79-V83 VanDerWaalsContact O-N 3.09Å; L79-I91 HydrophobicContact CD1-CG1 4.18Å; L79-I91 HydrophobicContact CD2-CD1 4.06Å; L79-I91 HydrophobicContact CD2-CG1 3.82Å; L79-L240 HydrophobicContact CD2-CD1 3.52Å; L79-R309 HydrophobicContact CD1-CB 4.37Å; L79-R309 WeakPolarHBondContact CD1-O 3.32Å; L79-V311 HydrophobicContact CD1-CB 4.13Å; L79-V311 HydrophobicContact CD1-CG2 3.57Å
80	V	95.6	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-41.4	173.9	179	0	0	0	0	111.2	F76 R77 S82 V83 L84 I125 L240	F76-V80 PolarHBondContact O-N 2.91Å; R77-V80 PolarHBondContact O-N 2.85Å; V80-S82 PolarHBondContact O-N 3.38Å; V80-V83 PolarHBondContact O-N 2.9Å; V80-L84 HydrophobicContact CG1-CD1 4.31Å; V80-L84 WeakPolarHBondContact O-CG 3.5Å; V80-L84 PolarHBondContact O-N 3.17Å; V80-I125 HydrophobicContact CG1-CD1 4.29Å; V80-I125 HydrophobicContact CG1-CG1 3.79Å; V80-L240 HydrophobicContact CG2-CD2 4.05Å
81	D	93.6	Very high	93.3	Very high	52 Å²	52	24.3 Å²	24.3	28%	0.278	12%	0.124	S	C	.	.	H	α-helix	trans	-55.9	-40.2	171	-65.7	-42.6	0	0	0	111.1	R77 V83 L84 L85 H124	R77-D81 WeakPolarHBondContact CG-OD2 3.38Å; R77-D81 VanDerWaalsContact O-CG 3.26Å; R77-D81 PolarHBondContact O-N 2.88Å; D81-V83 PolarHBondContact O-N 2.87Å; D81-L84 PolarHBondContact O-N 2.9Å; D81-L85 WeakPolarHBondContact O-CG 3.5Å; D81-L85 PolarHBondContact O-N 3.3Å; D81-H124 IonicContact OD1-CE1 2.86Å; D81-H124 PolarHBondContact OD1-CE1 2.96Å; D81-H124 IonicContact OD1-NE2 2.72Å; D81-H124 PolarHBondContact OD1-NE2 3.02Å
82	S	94.1	Very high	93.5	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.063	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-38.2	175.4	-55.3	0	0	0	0	112.6	P78 L79 V80 L85 G86 F87 R309	P78-S82 PolarHBondContact O-N 2.78Å; P78-S82 VanDerWaalsContact O-N 3.15Å; P78-S82 PolarHBondContact O-OG 2.98Å; L79-S82 VanDerWaalsContact O-CB 3.29Å; L79-S82 WeakPolarHBondContact O-CB 3.4Å; L79-S82 PolarHBondContact O-N 3.39Å; V80-S82 PolarHBondContact O-N 3.38Å; S82-L85 PolarHBondContact O-N 3.39Å; S82-G86 PolarHBondContact O-N 2.98Å; S82-F87 WeakPolarHBondContact O-CB 3.37Å; S82-F87 WeakPolarHBondContact O-CD2 3.36Å; S82-F87 PolarHBondContact O-N 2.9Å; S82-F87 VanDerWaalsContact O-N 3.08Å; S82-R309 WeakPolarHBondContact OG-CD 3.48Å; S82-R309 PolarHBondContact OG-NH1 3.32Å
83	V	95.3	Very high	93.7	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-38.2	177.7	177.2	0	0	0	0	111.4	L79 V80 D81 L85 G86 F87 G238 L240	L79-V83 HydrophobicContact CD2-CG2 4.48Å; L79-V83 PolarHBondContact O-N 3.2Å; L79-V83 VanDerWaalsContact O-N 3.09Å; V80-V83 PolarHBondContact O-N 2.9Å; D81-V83 PolarHBondContact O-N 2.87Å; V83-L85 PolarHBondContact O-N 3.11Å; V83-G86 PolarHBondContact O-N 3.01Å; V83-F87 WeakPolarHBondContact CA-O 3.47Å; V83-G238 WeakPolarHBondContact O-CA 3.46Å; V83-L240 HydrophobicContact CB-CB 4.5Å; V83-L240 HydrophobicContact CG1-CB 4.05Å; V83-L240 HydrophobicContact CG2-CB 4.07Å; V83-L240 HydrophobicContact CG2-CD1 4.29Å
84	L	92.3	Very high	93.9	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-25.8	174.9	-70.5	162.2	0	0	0	112.8	V80 D81 I125 H128 V222	V80-L84 HydrophobicContact CG1-CD1 4.31Å; V80-L84 WeakPolarHBondContact O-CG 3.5Å; V80-L84 PolarHBondContact O-N 3.17Å; D81-L84 PolarHBondContact O-N 2.9Å; L84-I125 HydrophobicContact CD2-CB 4.49Å; L84-I125 HydrophobicContact CD2-CG1 4.28Å; L84-I125 HydrophobicContact CD2-CG2 4.22Å; L84-H128 HydrophobicContact CD1-CB 3.78Å; L84-H128 HydrophobicContact CD2-CB 4.28Å; L84-V222 HydrophobicContact CD2-CG1 4.39Å
85	L	91	Very high	94.1	Very high	98 Å²	98	17.8 Å²	17.8	51%	0.513	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.9	172.2	-65.4	172.3	0	0	0	114.1	D81 S82 V83 F87 I345	D81-L85 WeakPolarHBondContact O-CG 3.5Å; D81-L85 PolarHBondContact O-N 3.3Å; S82-L85 PolarHBondContact O-N 3.39Å; V83-L85 PolarHBondContact O-N 3.11Å; L85-F87 HydrophobicContact CB-CD2 4.4Å; L85-I345 VanDerWaalsContact O-CG2 3.31Å; L85-I345 WeakPolarHBondContact O-CG2 3.49Å
86	G	90.9	Very high	94.1	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	12.1	178.5	0	0	0	0	0	115.9	S82 V83 N346	S82-G86 PolarHBondContact O-N 2.98Å; V83-G86 PolarHBondContact O-N 3.01Å; G86-N346 PolarHBondContact O-N 3.49Å; G86-N346 PolarHBondContact O-ND2 2.83Å
87	F	93.9	Very high	93.7	Very high	28 Å²	28	20.1 Å²	20.1	12%	0.123	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-80.1	156.1	168.7	-70.3	-90.4	0	0	0	111.5	S82 V83 L85 G238 P343 H344 I345	S82-F87 WeakPolarHBondContact O-CB 3.37Å; S82-F87 WeakPolarHBondContact O-CD2 3.36Å; S82-F87 PolarHBondContact O-N 2.9Å; S82-F87 VanDerWaalsContact O-N 3.08Å; V83-F87 WeakPolarHBondContact CA-O 3.47Å; L85-F87 HydrophobicContact CB-CD2 4.4Å; F87-G238 WeakPolarHBondContact O-CA 3.18Å; F87-P343 HydrophobicContact CD1-CB 3.96Å; F87-P343 HydrophobicContact CE1-CB 4.26Å; F87-H344 VanDerWaalsContact CD1-C 3.42Å; F87-H344 VanDerWaalsContact CD1-O 3.3Å; F87-H344 WeakPolarHBondContact CD1-O 3.12Å; F87-I345 HydrophobicContact CD1-CG1 4.37Å; F87-I345 HydrophobicContact CD2-CG1 4.04Å; F87-I345 HydrophobicContact CE1-CG1 3.93Å; F87-I345 HydrophobicContact CE2-CD1 4.1Å; F87-I345 HydrophobicContact CE2-CG1 3.55Å; F87-I345 HydrophobicContact CG-CG1 4.43Å; F87-I345 HydrophobicContact CZ-CD1 4.22Å; F87-I345 HydrophobicContact CZ-CG1 3.49Å; F87-I345 VanDerWaalsContact CZ-CG1 3.49Å
88	N	94.8	Very high	93.2	Very high	22 Å²	22	19.5 Å²	19.5	12%	0.118	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.1	161.3	-63.4	-34.2	0	0	0	110.3	K239 N307 A308 R309 N346	N88-K239 CarbonylContact C-O 3.54Å; N88-K239 WeakPolarHBondContact CA-O 3.5Å; N88-K239 WeakPolarHBondContact OD1-CB 3.41Å; N88-N307 VanDerWaalsContact CB-O 3.25Å; N88-N307 WeakPolarHBondContact CB-O 3.45Å; N88-N307 PolarHBondContact ND2-ND2 2.96Å; N88-N307 PolarHBondContact ND2-O 2.9Å; N88-A308 HydrophobicContact CB-CB 3.86Å; N88-A308 CarbonylContact O-C 3.6Å; N88-A308 WeakPolarHBondContact O-CA 3.38Å; N88-R309 PolarHBondContact O-N 2.9Å; N88-N346 PolarHBondContact ND2-OD1 3.07Å; N88-N346 PolarHBondContact OD1-ND2 2.83Å
89	G	96.1	Very high	93.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.8	177.6	0	0	0	0	0	111.2	K239 L240 N241 R309	G89-K239 PolarHBondContact N-O 3.22Å; G89-K239 VanDerWaalsContact O-O 3.12Å; G89-L240 CarbonylContact O-C 3.58Å; G89-L240 VanDerWaalsContact O-CA 3.32Å; G89-L240 WeakPolarHBondContact O-CA 3.45Å; G89-N241 PolarHBondContact O-N 2.96Å; G89-R309 CarbonylContact C-O 3.59Å; G89-R309 VanDerWaalsContact CA-O 3.28Å; G89-R309 WeakPolarHBondContact CA-O 3.42Å
90	T	97.4	Very high	92.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.5	173	-64.8	0	0	0	0	110.7	F92 N241 V243 L300 S303 R309 T310 V311	T90-F92 HydrophobicContact CG2-CD1 4.32Å; T90-N241 CarbonylContact C-O 3.55Å; T90-N241 WeakPolarHBondContact CA-O 3.43Å; T90-N241 HydrophobicContact CG2-CB 4.18Å; T90-N241 PolarHBondContact OG1-ND2 3.24Å; T90-V243 HydrophobicContact CG2-CG2 4.45Å; T90-L300 HydrophobicContact CG2-CD2 4.24Å; T90-S303 WeakPolarHBondContact CB-OG 3.07Å; T90-S303 PolarHBondContact OG1-OG 3.45Å; T90-R309 PolarHBondContact N-O 3.28Å; T90-T310 HydrophobicContact CG2-CG2 4.38Å; T90-T310 CarbonylContact O-C 3.58Å; T90-T310 WeakPolarHBondContact O-CA 3.13Å; T90-V311 PolarHBondContact O-N 3.25Å
91	I	97.8	Very high	92.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.9	169.9	-53.2	176.8	0	0	0	107.2	F76 L79 V117 L240 N241 L242 V243 V311 V313	F76-I91 HydrophobicContact CB-CD1 3.94Å; F76-I91 HydrophobicContact CD1-CD1 3.79Å; F76-I91 HydrophobicContact CD1-CG1 4.43Å; F76-I91 HydrophobicContact CD1-CG2 4.04Å; F76-I91 HydrophobicContact CE1-CG2 3.83Å; F76-I91 HydrophobicContact CG-CD1 4Å; F76-I91 HydrophobicContact CZ-CG2 4.47Å; L79-I91 HydrophobicContact CD1-CG1 4.18Å; L79-I91 HydrophobicContact CD2-CD1 4.06Å; L79-I91 HydrophobicContact CD2-CG1 3.82Å; I91-V117 HydrophobicContact CD1-CG2 3.68Å; I91-L240 HydrophobicContact CG1-CD1 4.46Å; I91-N241 PolarHBondContact N-O 3.47Å; I91-L242 HydrophobicContact CB-CD2 4.28Å; I91-L242 HydrophobicContact CD1-CD2 4.08Å; I91-V243 PolarHBondContact O-N 2.66Å; I91-V311 WeakPolarHBondContact CA-O 3.39Å; I91-V313 HydrophobicContact CG2-CG2 4.28Å
92	F	96.1	Very high	92.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.9	177	70.3	-90.4	0	0	0	112.9	T90 V243 L245 L304 T310 V311 M312 V313	T90-F92 HydrophobicContact CG2-CD1 4.32Å; F92-V243 WeakPolarHBondContact CA-O 3.44Å; F92-V243 HydrophobicContact CB-CB 3.67Å; F92-V243 HydrophobicContact CB-CG1 4.03Å; F92-V243 HydrophobicContact CB-CG2 4.37Å; F92-L245 HydrophobicContact CD2-CD1 3.86Å; F92-L304 HydrophobicContact CE1-CD2 4.24Å; F92-L304 HydrophobicContact CZ-CD2 4.4Å; F92-T310 HydrophobicContact CD1-CG2 3.96Å; F92-T310 HydrophobicContact CE1-CG2 3.63Å; F92-V311 PolarHBondContact N-O 3.38Å; F92-M312 HydrophobicContact CD2-CG 4.18Å; F92-M312 HydrophobicContact CE1-CB 3.9Å; F92-M312 HydrophobicContact CE1-CG 4.41Å; F92-M312 HydrophobicContact CE2-CB 3.9Å; F92-M312 HydrophobicContact CE2-CE 4.44Å; F92-M312 HydrophobicContact CE2-CG 3.48Å; F92-M312 VanDerWaalsContact CE2-CG 3.48Å; F92-M312 HydrophobicContact CE2-SD 3.96Å; F92-M312 HydrophobicContact CZ-CB 3.54Å; F92-M312 HydrophobicContact CZ-CG 3.62Å; F92-M312 HydrophobicContact CZ-SD 4.03Å; F92-V313 PolarHBondContact O-N 2.94Å
93	A	95.8	Very high	92.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129	174	0	0	0	0	0	110.9	K101 M105 V243 L245 V313	A93-K101 HydrophobicContact CB-CB 3.86Å; A93-K101 HydrophobicContact CB-CG 4.21Å; A93-M105 HydrophobicContact CB-CG 3.65Å; A93-M105 HydrophobicContact CB-SD 3.78Å; A93-V243 PolarHBondContact N-O 3.45Å; A93-L245 VanDerWaalsContact O-CB 3.28Å; A93-L245 WeakPolarHBondContact O-CB 3.43Å; A93-L245 WeakPolarHBondContact O-CG 3.35Å; A93-L245 PolarHBondContact O-N 2.98Å; A93-V313 WeakPolarHBondContact CA-O 3.39Å
94	Y	94.8	Very high	92.5	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.039	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.6	-175.1	177.7	-90.7	0	0	0	111.4	L245 L271 M312 V313 N315 T329 Y332	Y94-L245 HydrophobicContact CD2-CD1 3.83Å; Y94-L245 HydrophobicContact CG-CD1 4.47Å; Y94-L271 HydrophobicContact CD2-CD2 4.44Å; Y94-L271 HydrophobicContact CE2-CD2 4.21Å; Y94-M312 HydrophobicContact CD1-CE 3.49Å; Y94-M312 VanDerWaalsContact CD1-CE 3.49Å; Y94-M312 HydrophobicContact CE1-CE 4.35Å; Y94-M312 HydrophobicContact CG-CE 3.76Å; Y94-V313 PolarHBondContact N-O 3.24Å; Y94-N315 PolarHBondContact O-N 2.97Å; Y94-T329 HydrophobicContact CD1-CG2 4.07Å; Y94-T329 HydrophobicContact CE1-CG2 4.18Å; Y94-Y332 HydrophobicContact CD1-CD1 4.08Å; Y94-Y332 HydrophobicContact CD1-CE1 4.41Å; Y94-Y332 HydrophobicContact CD2-CE1 4.18Å; Y94-Y332 AromaticContact CE1-CD1 3.69Å; Y94-Y332 HydrophobicContact CE1-CD1 3.69Å; Y94-Y332 HydrophobicContact CE1-CD2 4.43Å; Y94-Y332 HydrophobicContact CE1-CE1 4.15Å; Y94-Y332 AromaticContact CE1-CG 3.84Å; Y94-Y332 HydrophobicContact CE1-CG 3.84Å; Y94-Y332 HydrophobicContact CE2-CD1 4.26Å; Y94-Y332 AromaticContact CE2-CE1 3.88Å; Y94-Y332 HydrophobicContact CE2-CE1 3.88Å; Y94-Y332 HydrophobicContact CE2-CE2 4.31Å; Y94-Y332 AromaticContact CE2-CZ 3.92Å; Y94-Y332 HydrophobicContact CG-CE1 4.44Å; Y94-Y332 AromaticContact CZ-CD1 3.79Å; Y94-Y332 AromaticContact CZ-CD2 3.97Å; Y94-Y332 AromaticContact CZ-CE1 3.87Å; Y94-Y332 AromaticContact CZ-CG 3.83Å; Y94-Y332 WeakPolarHBondContact OH-CD2 3.24Å
95	G	91.9	Very high	92.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	137.7	-176.5	176	0	0	0	0	0	113	K101 S248	G95-K101 PolarHBondContact O-NZ 3.06Å; G95-S248 PolarHBondContact O-N 3.12Å; G95-S248 VanDerWaalsContact O-N 3.12Å; G95-S248 PolarHBondContact O-OG 3.31Å
96	Q	88.8	Confident	92.7	Very high	20 Å²	20	18.2 Å²	18.2	9%	0.093	11%	0.108	C	C	.	.	S	Bend	trans	-60.6	154	-178.4	-173	-165.6	25.5	0	0	112.3	G98 T99 K101 S248 E249 N322 E325	Q96-G98 PolarHBondContact O-N 3.36Å; Q96-T99 HydrophobicContact CB-CG2 3.74Å; Q96-T99 PolarHBondContact O-N 3.01Å; Q96-T99 PolarHBondContact O-OG1 3.25Å; Q96-K101 PolarHBondContact O-NZ 3.08Å; Q96-S248 PolarHBondContact N-OG 3.4Å; Q96-S248 VanDerWaalsContact N-OG 3.16Å; Q96-E249 HydrophobicContact CG-CB 4.23Å; Q96-N322 PolarHBondContact NE2-OD1 2.96Å; Q96-N322 VanDerWaalsContact OE1-CG 3.22Å; Q96-N322 PolarHBondContact OE1-OD1 2.87Å; Q96-E325 HydrophobicContact CB-CB 4.2Å; Q96-E325 HydrophobicContact CG-CB 4.23Å; Q96-E325 HydrophobicContact CG-CG 4.3Å
97	T	86.2	Confident	92.7	Very high	45 Å²	45	18.9 Å²	18.9	28%	0.276	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.3	166.9	-70.1	0	0	0	0	111.5	T99 S212 G247 E249	T97-T99 VanDerWaalsContact C-N 3.31Å; T97-T99 PolarHBondContact O-N 3.35Å; T97-S212 WeakPolarHBondContact OG1-CB 3.33Å; T97-G247 WeakPolarHBondContact OG1-CA 3.41Å; T97-E249 WeakPolarHBondContact CB-OE1 3.46Å; T97-E249 PolarHBondContact N-OE2 2.92Å; T97-E249 PolarHBondContact OG1-OE1 2.89Å; T97-E249 PolarHBondContact OG1-OE2 3.32Å
98	G	83.9	Confident	92.3	Very high	53 Å²	53	20.4 Å²	20.4	55%	0.546	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	5.2	179.9	0	0	0	0	0	115.9	R17 Q96 G100	R17-G98 PolarHBondContact NE-O 3.35Å; Q96-G98 PolarHBondContact O-N 3.36Å; G98-G100 VanDerWaalsContact C-N 3.3Å
99	T	89.8	Confident	91.4	Very high	1 Å²	1	24 Å²	24	1%	0.006	14%	0.138	C	C	.	.	S	Bend	trans	-82.2	-6.9	171.5	61.1	0	0	0	0	114.1	Q96 T97 N315	Q96-T99 HydrophobicContact CB-CG2 3.74Å; Q96-T99 PolarHBondContact O-N 3.01Å; Q96-T99 PolarHBondContact O-OG1 3.25Å; T97-T99 VanDerWaalsContact C-N 3.31Å; T97-T99 PolarHBondContact O-N 3.35Å; T99-N315 WeakPolarHBondContact CB-O 3.43Å; T99-N315 PolarHBondContact O-ND2 3.14Å; T99-N315 VanDerWaalsContact OG1-CB 3.3Å; T99-N315 WeakPolarHBondContact OG1-CB 3.37Å; T99-N315 PolarHBondContact OG1-O 3.04Å
100	G	90.4	Very high	90.5	Very high	17 Å²	17	31.5 Å²	31.5	18%	0.175	18%	0.178	C	C	.	.	S	Bend	trans	105.9	24.2	171.6	0	0	0	0	0	116.1	G98 Y103 T104 N315	G98-G100 VanDerWaalsContact C-N 3.3Å; G100-Y103 CarbonylContact O-C 3.58Å; G100-Y103 WeakPolarHBondContact O-CB 3.44Å; G100-Y103 PolarHBondContact O-N 3.12Å; G100-T104 PolarHBondContact O-N 2.98Å; G100-T104 PolarHBondContact O-OG1 3.11Å; G100-N315 VanDerWaalsContact C-ND2 3.3Å; G100-N315 PolarHBondContact O-ND2 3.09Å
101	K	92.8	Very high	89.9	Confident	11 Å²	11	33.8 Å²	33.8	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-51.4	-63.5	174.3	-61.5	-173.2	-66.6	-78.1	0	112.3	A93 G95 Q96 Y103 T104 M105 D244 L245 A246 N315	A93-K101 HydrophobicContact CB-CB 3.86Å; A93-K101 HydrophobicContact CB-CG 4.21Å; G95-K101 PolarHBondContact O-NZ 3.06Å; Q96-K101 PolarHBondContact O-NZ 3.08Å; K101-Y103 PolarHBondContact O-N 3.23Å; K101-Y103 VanDerWaalsContact O-N 3.17Å; K101-T104 WeakPolarHBondContact O-CA 3.41Å; K101-T104 WeakPolarHBondContact O-CB 3.27Å; K101-T104 PolarHBondContact O-N 2.67Å; K101-M105 WeakPolarHBondContact O-CG 3.41Å; K101-M105 PolarHBondContact O-N 3.11Å; K101-D244 VanDerWaalsContact CB-OD1 3.27Å; K101-D244 WeakPolarHBondContact CB-OD1 3.28Å; K101-L245 WeakPolarHBondContact CE-O 3.32Å; K101-A246 VanDerWaalsContact CE-O 3.25Å; K101-A246 WeakPolarHBondContact CE-O 3.5Å; K101-A246 PolarHBondContact NZ-O 3.16Å; K101-N315 HydrophobicContact CG-CB 4.1Å
102	T	91.1	Very high	89.1	Confident	51 Å²	51	38.8 Å²	38.8	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-28.6	175.9	-40.4	0	0	0	0	112.9	M105 E106 G107 D244	T102-M105 PolarHBondContact O-N 3.35Å; T102-E106 HydrophobicContact CG2-CB 4.43Å; T102-E106 PolarHBondContact O-N 3.24Å; T102-G107 PolarHBondContact O-N 3.03Å; T102-G107 VanDerWaalsContact O-N 3.17Å; T102-D244 WeakPolarHBondContact CB-OD2 3.35Å; T102-D244 WeakPolarHBondContact CG2-OD2 3.35Å; T102-D244 PolarHBondContact N-OD1 2.88Å; T102-D244 VanDerWaalsContact N-OD1 3.11Å; T102-D244 PolarHBondContact OG1-OD1 2.78Å; T102-D244 PolarHBondContact OG1-OD2 3.38Å
103	Y	92.7	Very high	88.6	Confident	92 Å²	92	44.6 Å²	44.6	36%	0.361	25%	0.25	S	S	.	.	H	α-helix	trans	-70.6	-37	173.1	-178.1	-96.1	0	0	0	112.3	Q68 G100 K101 G107 V108	Q68-Y103 PolarHBondContact NE2-O 2.85Å; G100-Y103 CarbonylContact O-C 3.58Å; G100-Y103 WeakPolarHBondContact O-CB 3.44Å; G100-Y103 PolarHBondContact O-N 3.12Å; K101-Y103 PolarHBondContact O-N 3.23Å; K101-Y103 VanDerWaalsContact O-N 3.17Å; Y103-G107 WeakPolarHBondContact O-CA 3.31Å; Y103-G107 PolarHBondContact O-N 3.22Å; Y103-V108 HydrophobicContact CE2-CG2 4.04Å
104	T	94.8	Very high	88.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-42.7	169.3	-53.7	0	0	0	0	111.3	R15 L71 F76 G100 K101 G116 V117 V313 N315	R15-T104 PolarHBondContact NH1-OG1 3.04Å; L71-T104 HydrophobicContact CD2-CG2 3.74Å; F76-T104 HydrophobicContact CE2-CG2 4.27Å; F76-T104 HydrophobicContact CZ-CG2 4.21Å; G100-T104 PolarHBondContact O-N 2.98Å; G100-T104 PolarHBondContact O-OG1 3.11Å; K101-T104 WeakPolarHBondContact O-CA 3.41Å; K101-T104 WeakPolarHBondContact O-CB 3.27Å; K101-T104 PolarHBondContact O-N 2.67Å; T104-G116 CarbonylContact O-C 3.51Å; T104-G116 VanDerWaalsContact O-CA 3.3Å; T104-G116 WeakPolarHBondContact O-CA 3.31Å; T104-V117 PolarHBondContact O-N 2.94Å; T104-V313 HydrophobicContact CG2-CG1 4.14Å; T104-N315 PolarHBondContact OG1-ND2 2.83Å; T104-N315 PolarHBondContact OG1-OD1 2.81Å
105	M	94.6	Very high	88.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-71.2	-58.3	-173.8	-64.3	-52.6	-65.2	0	0	112.6	A93 K101 T102 G116 V117 I118 L242 D244	A93-M105 HydrophobicContact CB-CG 3.65Å; A93-M105 HydrophobicContact CB-SD 3.78Å; K101-M105 WeakPolarHBondContact O-CG 3.41Å; K101-M105 PolarHBondContact O-N 3.11Å; T102-M105 PolarHBondContact O-N 3.35Å; M105-G116 CarbonylContact O-C 3.5Å; M105-V117 HydrophobicContact CE-CG1 3.85Å; M105-V117 PolarHBondContact O-N 3.28Å; M105-V117 VanDerWaalsContact O-N 3.16Å; M105-V117 HydrophobicContact SD-CG1 3.76Å; M105-I118 HydrophobicContact CB-CD1 3.99Å; M105-I118 HydrophobicContact CE-CD1 4.22Å; M105-I118 HydrophobicContact CE-CG1 4.17Å; M105-I118 WeakPolarHBondContact O-CB 3.4Å; M105-I118 VanDerWaalsContact O-CG1 3.25Å; M105-I118 WeakPolarHBondContact O-CG1 3.43Å; M105-I118 PolarHBondContact O-N 3.46Å; M105-L242 HydrophobicContact CE-CB 3.93Å; M105-L242 HydrophobicContact CE-CD2 4.27Å; M105-D244 HydrophobicContact CB-CB 4.26Å; M105-D244 HydrophobicContact CG-CB 3.99Å
106	E	91.9	Very high	88.2	Confident	26 Å²	26	52.8 Å²	52.8	12%	0.121	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-41.7	-176.8	176.6	172.8	154.2	0	0	112.5	T102 R109 G116 M193 N197	T102-E106 HydrophobicContact CG2-CB 4.43Å; T102-E106 PolarHBondContact O-N 3.24Å; E106-R109 IonicContact OE1-CZ 2.71Å; E106-R109 IonicContact OE1-NE 3.21Å; E106-R109 PolarHBondContact OE1-NE 3.27Å; E106-R109 IonicContact OE1-NH2 3.85Å; E106-R109 PolarHBondContact OE1-NH2 2.93Å; E106-R109 IonicContact OE2-NH2 2.66Å; E106-G116 WeakPolarHBondContact O-CA 3.44Å; E106-G116 PolarHBondContact O-N 2.85Å; E106-M193 HydrophobicContact CB-CE 3.86Å; E106-M193 HydrophobicContact CG-CE 3.59Å; E106-N197 VanDerWaalsContact CD-ND2 3.34Å; E106-N197 PolarHBondContact OE1-ND2 2.81Å; E106-N197 PolarHBondContact OE2-ND2 2.86Å
107	G	90.7	Very high	88.5	Confident	16 Å²	16	52 Å²	52	17%	0.165	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	69	-145.7	-176.8	0	0	0	0	0	113.2	T102 Y103 R114	T102-G107 PolarHBondContact O-N 3.03Å; T102-G107 VanDerWaalsContact O-N 3.17Å; Y103-G107 WeakPolarHBondContact O-CA 3.31Å; Y103-G107 PolarHBondContact O-N 3.22Å; G107-R114 CarbonylContact C-O 3.59Å; G107-R114 VanDerWaalsContact CA-O 3.31Å; G107-R114 WeakPolarHBondContact CA-O 3.42Å
108	V	86.9	Confident	88.9	Confident	60 Å²	60	50.1 Å²	50.1	36%	0.364	27%	0.266	S	S	.	.			trans	-108.1	108.5	178.4	-177.2	0	0	0	0	109.3	Y103 N110 D111 R114	Y103-V108 HydrophobicContact CE2-CG2 4.04Å; V108-N110 VanDerWaalsContact C-N 3.28Å; V108-N110 PolarHBondContact O-N 3.34Å; V108-D111 HydrophobicContact CB-CB 4.18Å; V108-D111 HydrophobicContact CG1-CB 3.9Å; V108-D111 PolarHBondContact O-N 3.06Å; V108-R114 HydrophobicContact CB-CB 3.84Å; V108-R114 HydrophobicContact CG2-CB 3.97Å; V108-R114 PolarHBondContact N-O 3.33Å
109	R	74.2	Confident	89.3	Confident	98 Å²	98	48 Å²	48	37%	0.37	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-41.9	-172.4	-56.9	-174.6	-167.3	167.3	12.2	114.2	E106 R115 N194 N197	E106-R109 IonicContact OE1-CZ 2.71Å; E106-R109 IonicContact OE1-NE 3.21Å; E106-R109 PolarHBondContact OE1-NE 3.27Å; E106-R109 IonicContact OE1-NH2 3.85Å; E106-R109 PolarHBondContact OE1-NH2 2.93Å; E106-R109 IonicContact OE2-NH2 2.66Å; R109-R115 PolarHBondContact O-NH2 3.15Å; R109-N194 PolarHBondContact NH1-OD1 2.84Å; R109-N197 PolarHBondContact NH2-ND2 2.99Å; R109-N197 VanDerWaalsContact NH2-ND2 3.12Å
110	N	78.1	Confident	89.5	Confident	157 Å²	157	49.1 Å²	49.1	84%	0.84	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.9	-171.7	-62	-4.4	0	0	0	113.9	V108	V108-N110 VanDerWaalsContact C-N 3.28Å; V108-N110 PolarHBondContact O-N 3.34Å
111	D	85.1	Confident	89.7	Confident	48 Å²	48	48.3 Å²	48.3	26%	0.257	24%	0.24	S	C	.	.			trans	-119.9	105.4	-177.5	178.4	-13.7	0	0	0	109.1	V108 E113 R114 R115	V108-D111 HydrophobicContact CB-CB 4.18Å; V108-D111 HydrophobicContact CG1-CB 3.9Å; V108-D111 PolarHBondContact O-N 3.06Å; D111-E113 PolarHBondContact O-N 2.98Å; D111-E113 PolarHBondContact OD1-N 2.95Å; D111-R114 HydrophobicContact CB-CB 4.04Å; D111-R114 HydrophobicContact CB-CG 4.45Å; D111-R114 CarbonylContact O-C 3.6Å; D111-R114 PolarHBondContact O-N 2.76Å; D111-R114 PolarHBondContact OD1-N 2.87Å; D111-R114 WeakPolarHBondContact OD2-CD 3.44Å; D111-R114 VanDerWaalsContact OD2-CG 3.23Å; D111-R114 WeakPolarHBondContact OD2-CG 3.49Å; D111-R114 IonicContact OD2-CZ 3.65Å; D111-R114 IonicContact OD2-NE 2.72Å; D111-R114 PolarHBondContact OD2-NE 3.34Å; D111-R115 PolarHBondContact O-N 3.38Å
112	P	81.8	Confident	89.8	Confident	105 Å²	105	47.9 Å²	47.9	68%	0.682	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.6	-178.8	-27.7	36	0	0	0	114.7	R114	P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 PolarHBondContact O-N 3.01Å
113	E	84.3	Confident	89.8	Confident	125 Å²	125	49.1 Å²	49.1	58%	0.584	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.1	177.9	-63	-157.5	147.5	0	0	112.6	D111	D111-E113 PolarHBondContact O-N 2.98Å; D111-E113 PolarHBondContact OD1-N 2.95Å
114	R	88.4	Confident	89.8	Confident	131 Å²	131	45.6 Å²	45.6	49%	0.494	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	3.7	-174.6	-61	-173.9	-159.8	-159.7	-1.7	114.4	Q68 G107 V108 D111 P112	Q68-R114 PolarHBondContact NE2-O 2.82Å; G107-R114 CarbonylContact C-O 3.59Å; G107-R114 VanDerWaalsContact CA-O 3.31Å; G107-R114 WeakPolarHBondContact CA-O 3.42Å; V108-R114 HydrophobicContact CB-CB 3.84Å; V108-R114 HydrophobicContact CG2-CB 3.97Å; V108-R114 PolarHBondContact N-O 3.33Å; D111-R114 HydrophobicContact CB-CB 4.04Å; D111-R114 HydrophobicContact CB-CG 4.45Å; D111-R114 CarbonylContact O-C 3.6Å; D111-R114 PolarHBondContact O-N 2.76Å; D111-R114 PolarHBondContact OD1-N 2.87Å; D111-R114 WeakPolarHBondContact OD2-CD 3.44Å; D111-R114 VanDerWaalsContact OD2-CG 3.23Å; D111-R114 WeakPolarHBondContact OD2-CG 3.49Å; D111-R114 IonicContact OD2-CZ 3.65Å; D111-R114 IonicContact OD2-NE 2.72Å; D111-R114 PolarHBondContact OD2-NE 3.34Å; P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 PolarHBondContact O-N 3.01Å
115	R	91.3	Very high	89.8	Confident	50 Å²	50	45.7 Å²	45.7	19%	0.189	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-55.4	134.5	169.3	-79	178.6	172.1	-130.8	-17.2	111.6	Q68 R109 D111 P119 N120 E123 E190	Q68-R115 WeakPolarHBondContact CB-O 3.43Å; Q68-R115 WeakPolarHBondContact CG-O 3.17Å; Q68-R115 PolarHBondContact NE2-O 2.61Å; R109-R115 PolarHBondContact O-NH2 3.15Å; D111-R115 PolarHBondContact O-N 3.38Å; R115-P119 HydrophobicContact CB-CG 3.96Å; R115-P119 HydrophobicContact CG-CB 4.48Å; R115-P119 HydrophobicContact CG-CG 4.26Å; R115-N120 PolarHBondContact O-ND2 2.83Å; R115-N120 VanDerWaalsContact O-ND2 3.14Å; R115-E123 IonicContact NH1-OE2 3.03Å; R115-E190 IonicContact CZ-OE1 3.85Å; R115-E190 IonicContact NH1-OE1 3.7Å; R115-E190 PolarHBondContact NH1-OE1 2.92Å; R115-E190 IonicContact NH2-OE1 3.27Å; R115-E190 PolarHBondContact NH2-OE1 3.12Å
116	G	93.9	Very high	89.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	23%	0.232	C	C	.	.			trans	-80.2	-175.2	178.4	0	0	0	0	0	114	T104 M105 E106 I118 P119 N120	T104-G116 CarbonylContact O-C 3.51Å; T104-G116 VanDerWaalsContact O-CA 3.3Å; T104-G116 WeakPolarHBondContact O-CA 3.31Å; M105-G116 CarbonylContact O-C 3.5Å; E106-G116 WeakPolarHBondContact O-CA 3.44Å; E106-G116 PolarHBondContact O-N 2.85Å; G116-I118 VanDerWaalsContact C-N 3.3Å; G116-I118 PolarHBondContact O-N 3.14Å; G116-P119 WeakPolarHBondContact O-CD 3.41Å; G116-P119 WeakPolarHBondContact O-CG 3.34Å; G116-N120 WeakPolarHBondContact O-CB 3.39Å; G116-N120 VanDerWaalsContact O-CG 3.28Å; G116-N120 PolarHBondContact O-N 2.81Å; G116-N120 PolarHBondContact O-ND2 3.49Å; G116-N120 VanDerWaalsContact O-ND2 3.1Å
117	V	95.2	Very high	89.5	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-34.3	-179.9	66.4	0	0	0	0	113.3	Y72 F76 I91 T104 M105 S121 L242	Y72-V117 HydrophobicContact CD2-CB 4.4Å; Y72-V117 HydrophobicContact CD2-CG2 3.92Å; Y72-V117 HydrophobicContact CE2-CG2 3.96Å; F76-V117 HydrophobicContact CB-CG2 3.72Å; F76-V117 HydrophobicContact CD1-CG2 4.3Å; F76-V117 HydrophobicContact CD2-CB 3.62Å; F76-V117 HydrophobicContact CD2-CG2 3.26Å; F76-V117 HydrophobicContact CE2-CB 3.82Å; F76-V117 HydrophobicContact CE2-CG2 3.92Å; F76-V117 HydrophobicContact CG-CB 4.33Å; F76-V117 HydrophobicContact CG-CG2 3.51Å; I91-V117 HydrophobicContact CD1-CG2 3.68Å; T104-V117 PolarHBondContact O-N 2.94Å; M105-V117 HydrophobicContact CE-CG1 3.85Å; M105-V117 PolarHBondContact O-N 3.28Å; M105-V117 VanDerWaalsContact O-N 3.16Å; M105-V117 HydrophobicContact SD-CG1 3.76Å; V117-S121 VanDerWaalsContact O-CB 3.29Å; V117-S121 WeakPolarHBondContact O-CB 3.4Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 2.89Å; V117-L242 HydrophobicContact CG1-CD2 4.2Å; V117-L242 HydrophobicContact CG2-CD2 4.32Å
118	I	94.6	Very high	89.5	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-62.2	-179.5	-62.5	169.6	0	0	0	110.7	M105 G116 N120 S121 F122 M193 L242	M105-I118 HydrophobicContact CB-CD1 3.99Å; M105-I118 HydrophobicContact CE-CD1 4.22Å; M105-I118 HydrophobicContact CE-CG1 4.17Å; M105-I118 WeakPolarHBondContact O-CB 3.4Å; M105-I118 VanDerWaalsContact O-CG1 3.25Å; M105-I118 WeakPolarHBondContact O-CG1 3.43Å; M105-I118 PolarHBondContact O-N 3.46Å; G116-I118 VanDerWaalsContact C-N 3.3Å; G116-I118 PolarHBondContact O-N 3.14Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.98Å; I118-S121 WeakPolarHBondContact O-CB 3.45Å; I118-S121 PolarHBondContact O-N 3.22Å; I118-S121 VanDerWaalsContact O-N 3.08Å; I118-S121 PolarHBondContact O-OG 2.81Å; I118-F122 HydrophobicContact CG2-CE1 3.7Å; I118-F122 HydrophobicContact CG2-CE2 3.89Å; I118-F122 HydrophobicContact CG2-CZ 3.27Å; I118-F122 WeakPolarHBondContact O-CD1 3.49Å; I118-F122 PolarHBondContact O-N 2.99Å; I118-M193 HydrophobicContact CB-CE 4.07Å; I118-M193 HydrophobicContact CB-SD 4.43Å; I118-M193 HydrophobicContact CD1-CE 3.95Å; I118-M193 HydrophobicContact CG2-CE 3.7Å; I118-M193 HydrophobicContact CG2-SD 3.56Å; I118-M193 VanDerWaalsContact CG2-SD 3.56Å; I118-L242 HydrophobicContact CD1-CB 4.37Å; I118-L242 HydrophobicContact CG1-CB 3.93Å; I118-L242 HydrophobicContact CG1-CD1 4.11Å; I118-L242 HydrophobicContact CG1-CD2 4.24Å; I118-L242 HydrophobicContact CG1-CG 4.31Å; I118-L242 HydrophobicContact CG2-CD1 4.39Å
119	P	93.2	Very high	89.5	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-36.8	178.7	23.2	-33.8	0	0	0	113.1	R115 G116 S121 F122 E123	R115-P119 HydrophobicContact CB-CG 3.96Å; R115-P119 HydrophobicContact CG-CB 4.48Å; R115-P119 HydrophobicContact CG-CG 4.26Å; G116-P119 WeakPolarHBondContact O-CD 3.41Å; G116-P119 WeakPolarHBondContact O-CG 3.34Å; P119-S121 VanDerWaalsContact C-N 3.27Å; P119-S121 PolarHBondContact O-N 3.41Å; P119-F122 WeakPolarHBondContact O-CB 3.42Å; P119-F122 PolarHBondContact O-N 2.73Å; P119-F122 VanDerWaalsContact O-N 3.15Å; P119-E123 PolarHBondContact O-N 3.17Å
120	N	93.6	Very high	90	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.128	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-30.4	176	-68.3	-25.8	0	0	0	112.3	Y72 R115 G116 I118 H124	Y72-N120 HydrophobicContact CD1-CB 4.32Å; Y72-N120 HydrophobicContact CD2-CB 3.48Å; Y72-N120 VanDerWaalsContact CD2-CB 3.48Å; Y72-N120 HydrophobicContact CE1-CB 4.44Å; Y72-N120 HydrophobicContact CE2-CB 3.62Å; Y72-N120 HydrophobicContact CG-CB 3.88Å; Y72-N120 PolarHBondContact OH-O 3.45Å; R115-N120 PolarHBondContact O-ND2 2.83Å; R115-N120 VanDerWaalsContact O-ND2 3.14Å; G116-N120 WeakPolarHBondContact O-CB 3.39Å; G116-N120 VanDerWaalsContact O-CG 3.28Å; G116-N120 PolarHBondContact O-N 2.81Å; G116-N120 PolarHBondContact O-ND2 3.49Å; G116-N120 VanDerWaalsContact O-ND2 3.1Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.98Å; N120-H124 WeakPolarHBondContact O-CB 3.44Å; N120-H124 PolarHBondContact O-N 3.03Å; N120-H124 VanDerWaalsContact O-N 3.11Å
121	S	95.2	Very high	90.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69	-32.6	172.7	76.9	0	0	0	0	113.4	Y72 V117 I118 P119 H124 I125	Y72-S121 WeakPolarHBondContact OH-CA 3.46Å; V117-S121 VanDerWaalsContact O-CB 3.29Å; V117-S121 WeakPolarHBondContact O-CB 3.4Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 2.89Å; I118-S121 WeakPolarHBondContact O-CB 3.45Å; I118-S121 PolarHBondContact O-N 3.22Å; I118-S121 VanDerWaalsContact O-N 3.08Å; I118-S121 PolarHBondContact O-OG 2.81Å; P119-S121 VanDerWaalsContact C-N 3.27Å; P119-S121 PolarHBondContact O-N 3.41Å; S121-H124 PolarHBondContact O-N 3.44Å; S121-I125 WeakPolarHBondContact O-CB 3.47Å; S121-I125 WeakPolarHBondContact O-CD1 3.47Å; S121-I125 WeakPolarHBondContact O-CG1 3.41Å; S121-I125 PolarHBondContact O-N 3.41Å
122	F	94.4	Very high	90.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-55.5	176.1	-57.1	-20.1	0	0	0	110.6	I118 P119 H124 I125 F126 I189 E190 M193 F218 I220	I118-F122 HydrophobicContact CG2-CE1 3.7Å; I118-F122 HydrophobicContact CG2-CE2 3.89Å; I118-F122 HydrophobicContact CG2-CZ 3.27Å; I118-F122 WeakPolarHBondContact O-CD1 3.49Å; I118-F122 PolarHBondContact O-N 2.99Å; P119-F122 WeakPolarHBondContact O-CB 3.42Å; P119-F122 PolarHBondContact O-N 2.73Å; P119-F122 VanDerWaalsContact O-N 3.15Å; F122-H124 VanDerWaalsContact C-N 3.25Å; F122-H124 PolarHBondContact O-N 3.44Å; F122-I125 PolarHBondContact O-N 2.98Å; F122-F126 VanDerWaalsContact O-CD2 3.32Å; F122-F126 WeakPolarHBondContact O-CD2 3.39Å; F122-F126 PolarHBondContact O-N 3.13Å; F122-I189 HydrophobicContact CB-CG2 3.63Å; F122-I189 HydrophobicContact CD1-CD1 3.76Å; F122-I189 HydrophobicContact CD1-CG1 3.97Å; F122-I189 HydrophobicContact CD1-CG2 3.83Å; F122-I189 HydrophobicContact CD2-CG2 3.65Å; F122-I189 HydrophobicContact CE1-CD1 3.71Å; F122-I189 HydrophobicContact CE1-CG1 3.73Å; F122-I189 HydrophobicContact CE1-CG2 4.36Å; F122-I189 HydrophobicContact CE2-CG1 4.3Å; F122-I189 HydrophobicContact CE2-CG2 4.2Å; F122-I189 HydrophobicContact CG-CB 4.48Å; F122-I189 HydrophobicContact CG-CD1 4.49Å; F122-I189 HydrophobicContact CG-CG1 4.36Å; F122-I189 HydrophobicContact CG-CG2 3.43Å; F122-I189 VanDerWaalsContact CG-CG2 3.43Å; F122-I189 HydrophobicContact CZ-CD1 4.38Å; F122-I189 HydrophobicContact CZ-CG1 3.89Å; F122-E190 HydrophobicContact CD2-CG 3.9Å; F122-E190 HydrophobicContact CE2-CG 4.37Å; F122-M193 HydrophobicContact CE2-CB 4.17Å; F122-M193 HydrophobicContact CE2-SD 3.86Å; F122-M193 HydrophobicContact CZ-CB 4.26Å; F122-M193 HydrophobicContact CZ-SD 4.08Å; F122-F218 HydrophobicContact CE1-CD1 4.18Å; F122-F218 AromaticContact CE1-CE1 3.55Å; F122-F218 HydrophobicContact CE1-CE1 3.55Å; F122-F218 HydrophobicContact CE1-CZ 4.07Å; F122-F218 HydrophobicContact CZ-CD1 4.31Å; F122-F218 AromaticContact CZ-CE1 3.65Å; F122-F218 HydrophobicContact CZ-CE1 3.65Å; F122-F218 HydrophobicContact CZ-CE2 4.43Å; F122-F218 AromaticContact CZ-CZ 3.72Å; F122-F218 HydrophobicContact CZ-CZ 3.72Å; F122-I220 HydrophobicContact CD1-CD1 3.79Å; F122-I220 HydrophobicContact CE1-CD1 3.69Å; F122-I220 HydrophobicContact CE1-CG1 4.5Å
123	E	91.4	Very high	89.8	Confident	78 Å²	78	45 Å²	45	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-42.3	176.8	-115.3	62.6	-154.5	0	0	111.4	R115 P119 T127 A186	R115-E123 IonicContact NH1-OE2 3.03Å; P119-E123 PolarHBondContact O-N 3.17Å; E123-T127 WeakPolarHBondContact O-CB 3.38Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.1Å; E123-A186 WeakPolarHBondContact OE1-CB 3.49Å
124	H	92.9	Very high	89.4	Confident	17 Å²	17	46.4 Å²	46.4	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-48.6	179.3	-172.8	-161	0	0	0	112.7	Y72 R77 D81 N120 S121 F122 T127 H128	Y72-H124 HydrophobicContact CE1-CB 4.42Å; Y72-H124 VanDerWaalsContact OH-CB 3.29Å; Y72-H124 WeakPolarHBondContact OH-CB 3.32Å; Y72-H124 PolarHBondContact OH-ND1 3.45Å; R77-H124 PolarHBondContact NH1-CE1 3.29Å; R77-H124 VanDerWaalsContact NH1-CE1 3.34Å; R77-H124 PolarHBondContact NH1-NE2 3.42Å; D81-H124 IonicContact OD1-CE1 2.86Å; D81-H124 PolarHBondContact OD1-CE1 2.96Å; D81-H124 IonicContact OD1-NE2 2.72Å; D81-H124 PolarHBondContact OD1-NE2 3.02Å; N120-H124 WeakPolarHBondContact O-CB 3.44Å; N120-H124 PolarHBondContact O-N 3.03Å; N120-H124 VanDerWaalsContact O-N 3.11Å; S121-H124 PolarHBondContact O-N 3.44Å; F122-H124 VanDerWaalsContact C-N 3.25Å; F122-H124 PolarHBondContact O-N 3.44Å; H124-T127 PolarHBondContact O-N 3.49Å; H124-H128 PolarHBondContact O-N 3.11Å
125	I	93.6	Very high	89.1	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-50.9	179.4	-71.6	166.2	0	0	0	110.6	V80 L84 S121 F122 T127 H128 I129 V139 I220 V222 L240	V80-I125 HydrophobicContact CG1-CD1 4.29Å; V80-I125 HydrophobicContact CG1-CG1 3.79Å; L84-I125 HydrophobicContact CD2-CB 4.49Å; L84-I125 HydrophobicContact CD2-CG1 4.28Å; L84-I125 HydrophobicContact CD2-CG2 4.22Å; S121-I125 WeakPolarHBondContact O-CB 3.47Å; S121-I125 WeakPolarHBondContact O-CD1 3.47Å; S121-I125 WeakPolarHBondContact O-CG1 3.41Å; S121-I125 PolarHBondContact O-N 3.41Å; F122-I125 PolarHBondContact O-N 2.98Å; I125-T127 PolarHBondContact O-N 3.16Å; I125-H128 WeakPolarHBondContact O-CB 3.33Å; I125-H128 PolarHBondContact O-N 3.43Å; I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.33Å; I125-I129 PolarHBondContact O-N 2.95Å; I125-V139 HydrophobicContact CG2-CG2 4.2Å; I125-I220 HydrophobicContact CD1-CD1 3.84Å; I125-I220 HydrophobicContact CD1-CG2 4.23Å; I125-V222 HydrophobicContact CD1-CG2 4.47Å; I125-V222 HydrophobicContact CG2-CG2 4.22Å; I125-L240 HydrophobicContact CD1-CD2 4.43Å
126	F	92.2	Very high	88.6	Confident	22 Å²	22	43.1 Å²	43.1	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-31.5	-178.8	-74.6	-73.8	0	0	0	113	F122 I129 S130 V139 T183 K184 A186 I189 L471	F122-F126 VanDerWaalsContact O-CD2 3.32Å; F122-F126 WeakPolarHBondContact O-CD2 3.39Å; F122-F126 PolarHBondContact O-N 3.13Å; F126-I129 HydrophobicContact CD1-CD1 4.43Å; F126-I129 PolarHBondContact O-N 2.95Å; F126-S130 WeakPolarHBondContact O-CB 3.13Å; F126-S130 PolarHBondContact O-N 3.3Å; F126-V139 HydrophobicContact CE1-CB 4.45Å; F126-V139 HydrophobicContact CE1-CG2 4.25Å; F126-V139 HydrophobicContact CZ-CB 4.11Å; F126-V139 HydrophobicContact CZ-CG1 4.07Å; F126-V139 HydrophobicContact CZ-CG2 4.26Å; F126-T183 WeakPolarHBondContact CZ-O 3.27Å; F126-K184 VanDerWaalsContact CE1-C 3.41Å; F126-A186 HydrophobicContact CB-CB 4.47Å; F126-A186 HydrophobicContact CD2-CB 4.09Å; F126-A186 VanDerWaalsContact CD2-N 3.35Å; F126-I189 HydrophobicContact CD2-CG2 4.3Å; F126-I189 HydrophobicContact CE2-CB 4.27Å; F126-I189 HydrophobicContact CE2-CG2 3.63Å; F126-L471 HydrophobicContact CD1-CD1 4.27Å; F126-L471 HydrophobicContact CE1-CD1 3.79Å
127	T	89.6	Confident	88.3	Confident	56 Å²	56	43.2 Å²	43.2	34%	0.344	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-43.7	171.3	-57.8	0	0	0	0	110.8	E123 H124 I125 S130 R131	E123-T127 WeakPolarHBondContact O-CB 3.38Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.1Å; H124-T127 PolarHBondContact O-N 3.49Å; I125-T127 PolarHBondContact O-N 3.16Å; T127-S130 PolarHBondContact O-N 2.96Å; T127-S130 PolarHBondContact O-OG 3.18Å; T127-R131 PolarHBondContact O-N 2.9Å
128	H	88.9	Confident	87.9	Confident	43 Å²	43	44.5 Å²	44.5	20%	0.199	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-49.7	176.1	-173.1	-74.4	0	0	0	111.7	L84 H124 I125 S130 R131 S132 Y137	L84-H128 HydrophobicContact CD1-CB 3.78Å; L84-H128 HydrophobicContact CD2-CB 4.28Å; H124-H128 PolarHBondContact O-N 3.11Å; I125-H128 WeakPolarHBondContact O-CB 3.33Å; I125-H128 PolarHBondContact O-N 3.43Å; H128-S130 VanDerWaalsContact C-N 3.27Å; H128-S130 PolarHBondContact O-N 3.44Å; H128-R131 PolarHBondContact O-N 3.22Å; H128-S132 PolarHBondContact O-N 3.47Å; H128-S132 PolarHBondContact O-OG 3.24Å; H128-Y137 PolarHBondContact CE1-OH 3.4Å
129	I	87.9	Confident	87.8	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-36	178.8	-64.9	168	0	0	0	111.8	I125 F126 R131 S132 Y137 V139 L471 G473	I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.33Å; I125-I129 PolarHBondContact O-N 2.95Å; F126-I129 HydrophobicContact CD1-CD1 4.43Å; F126-I129 PolarHBondContact O-N 2.95Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.4Å; I129-S132 WeakPolarHBondContact CA-OG 3.35Å; I129-S132 PolarHBondContact O-OG 3.46Å; I129-Y137 HydrophobicContact CB-CD2 4.3Å; I129-Y137 HydrophobicContact CB-CG 4.43Å; I129-Y137 HydrophobicContact CD1-CD1 4.25Å; I129-Y137 HydrophobicContact CD1-CG 4.11Å; I129-Y137 HydrophobicContact CG1-CD1 3.9Å; I129-Y137 HydrophobicContact CG1-CD2 3.92Å; I129-Y137 HydrophobicContact CG1-CE1 4.31Å; I129-Y137 HydrophobicContact CG1-CE2 4.34Å; I129-Y137 HydrophobicContact CG1-CG 3.66Å; I129-Y137 HydrophobicContact CG2-CD2 3.94Å; I129-Y137 HydrophobicContact CG2-CG 4.12Å; I129-V139 HydrophobicContact CD1-CG2 3.4Å; I129-V139 VanDerWaalsContact CD1-CG2 3.4Å; I129-L471 HydrophobicContact CD1-CD1 4.33Å; I129-L471 HydrophobicContact CG2-CB 3.71Å; I129-L471 HydrophobicContact CG2-CD1 4.06Å; I129-G473 WeakPolarHBondContact O-CA 3.33Å
130	S	85.2	Confident	87.7	Confident	76 Å²	76	46.8 Å²	46.8	53%	0.531	23%	0.23	S	C	.	.	H	α-helix	trans	-68.8	-26.7	177.1	76.1	0	0	0	0	113.4	F126 T127 H128	F126-S130 WeakPolarHBondContact O-CB 3.13Å; F126-S130 PolarHBondContact O-N 3.3Å; T127-S130 PolarHBondContact O-N 2.96Å; T127-S130 PolarHBondContact O-OG 3.18Å; H128-S130 VanDerWaalsContact C-N 3.27Å; H128-S130 PolarHBondContact O-N 3.44Å
131	R	83.4	Confident	87.8	Confident	129 Å²	129	45.7 Å²	45.7	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-92.2	-32	-177.1	-172.1	178.4	72	173.8	-3.9	113.3	T127 H128 I129 E489	T127-R131 PolarHBondContact O-N 2.9Å; H128-R131 PolarHBondContact O-N 3.22Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.4Å; R131-E489 IonicContact CZ-OE1 3.76Å; R131-E489 IonicContact NH1-OE1 3.9Å; R131-E489 PolarHBondContact NH1-OE1 2.84Å; R131-E489 IonicContact NH1-OE2 3.65Å; R131-E489 PolarHBondContact NH1-OE2 3.46Å; R131-E489 IonicContact NH2-OE1 3.08Å
132	S	81.1	Confident	87.8	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.084	23%	0.228	C	C	.	.			trans	-60.3	134	178	44.9	0	0	0	0	111.5	H128 I129 Y137 G473	H128-S132 PolarHBondContact O-N 3.47Å; H128-S132 PolarHBondContact O-OG 3.24Å; I129-S132 WeakPolarHBondContact CA-OG 3.35Å; I129-S132 PolarHBondContact O-OG 3.46Å; S132-Y137 VanDerWaalsContact OG-CE2 3.26Å; S132-Y137 WeakPolarHBondContact OG-CE2 3.3Å; S132-G473 WeakPolarHBondContact O-CA 3.42Å
133	Q	75.8	Confident	87.9	Confident	153 Å²	153	46.4 Å²	46.4	72%	0.715	23%	0.229	S	C	*	.	S	Bend	trans	-108.9	151.5	172.6	-63.8	178.4	-7.6	0	0	108.5	Q135	Q133-Q135 PolarHBondContact O-N 2.78Å; Q133-Q135 VanDerWaalsContact O-N 3.09Å
134	N	76.7	Confident	88	Confident	153 Å²	153	42.9 Å²	42.9	82%	0.818	21%	0.213	S	C	*	.	S	Bend	trans	58.3	19.2	177.9	-52.4	-10.4	0	0	0	115.5
135	Q	81.9	Confident	88	Confident	33 Å²	33	42.5 Å²	42.5	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.1	177.5	-67.8	172.5	-14.4	0	0	109.2	Q133 Y137 S225 E226	Q133-Q135 PolarHBondContact O-N 2.78Å; Q133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-Y137 HydrophobicContact CB-CD2 4.36Å; Q135-Y137 HydrophobicContact CB-CE2 3.7Å; Q135-Y137 PolarHBondContact OE1-OH 2.85Å; Q135-Y137 VanDerWaalsContact OE1-OH 3.09Å; Q135-S225 WeakPolarHBondContact CA-O 3.49Å; Q135-E226 HydrophobicContact CG-CB 4.16Å; Q135-E226 HydrophobicContact CG-CG 4.05Å; Q135-E226 VanDerWaalsContact NE2-CD 3.34Å; Q135-E226 PolarHBondContact NE2-OE1 3.36Å
136	Q	80	Confident	87.8	Confident	80 Å²	80	42.4 Å²	42.4	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.2	177	-57.4	-170.8	6.9	0	0	109.9	C224 S225 V472	Q136-C224 WeakPolarHBondContact O-CA 3.45Å; Q136-S225 PolarHBondContact N-O 3.3Å; Q136-S225 PolarHBondContact O-N 3.01Å; Q136-V472 HydrophobicContact CG-CG2 4.39Å
137	Y	87.4	Confident	87.6	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.9	-176.7	-72.7	-91.8	0	0	0	113	H128 I129 S132 Q135 V222 E223 C224 L471	H128-Y137 PolarHBondContact CE1-OH 3.4Å; I129-Y137 HydrophobicContact CB-CD2 4.3Å; I129-Y137 HydrophobicContact CB-CG 4.43Å; I129-Y137 HydrophobicContact CD1-CD1 4.25Å; I129-Y137 HydrophobicContact CD1-CG 4.11Å; I129-Y137 HydrophobicContact CG1-CD1 3.9Å; I129-Y137 HydrophobicContact CG1-CD2 3.92Å; I129-Y137 HydrophobicContact CG1-CE1 4.31Å; I129-Y137 HydrophobicContact CG1-CE2 4.34Å; I129-Y137 HydrophobicContact CG1-CG 3.66Å; I129-Y137 HydrophobicContact CG2-CD2 3.94Å; I129-Y137 HydrophobicContact CG2-CG 4.12Å; S132-Y137 VanDerWaalsContact OG-CE2 3.26Å; S132-Y137 WeakPolarHBondContact OG-CE2 3.3Å; Q135-Y137 HydrophobicContact CB-CD2 4.36Å; Q135-Y137 HydrophobicContact CB-CE2 3.7Å; Q135-Y137 PolarHBondContact OE1-OH 2.85Å; Q135-Y137 VanDerWaalsContact OE1-OH 3.09Å; Y137-V222 HydrophobicContact CD1-CG1 3.76Å; Y137-V222 HydrophobicContact CE1-CG1 4.15Å; Y137-E223 WeakPolarHBondContact CA-O 3.31Å; Y137-C224 HydrophobicContact CD1-CB 3.9Å; Y137-C224 HydrophobicContact CE1-CB 3.62Å; Y137-L471 PolarHBondContact N-O 3.45Å; Y137-L471 WeakPolarHBondContact O-CB 3.47Å; Y137-L471 PolarHBondContact O-N 2.87Å
138	L	86.4	Confident	87.2	Confident	30 Å²	30	42.6 Å²	42.6	16%	0.157	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.1	167.8	-177.9	61.2	0	0	0	109.5	R140 V182 E223 L470	L138-R140 HydrophobicContact CG-CG 4.46Å; L138-V182 HydrophobicContact CD1-CG1 3.57Å; L138-V182 HydrophobicContact CD1-CG2 4.2Å; L138-E223 HydrophobicContact CB-CB 4.32Å; L138-E223 PolarHBondContact N-O 2.85Å; L138-E223 PolarHBondContact O-N 2.87Å; L138-L470 HydrophobicContact CB-CD2 4.13Å
139	V	92.2	Very high	87.1	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.7	177.3	-174.5	0	0	0	0	109.8	I125 F126 I129 V182 T183 I220 T221 V222 L471	I125-V139 HydrophobicContact CG2-CG2 4.2Å; F126-V139 HydrophobicContact CE1-CB 4.45Å; F126-V139 HydrophobicContact CE1-CG2 4.25Å; F126-V139 HydrophobicContact CZ-CB 4.11Å; F126-V139 HydrophobicContact CZ-CG1 4.07Å; F126-V139 HydrophobicContact CZ-CG2 4.26Å; I129-V139 HydrophobicContact CD1-CG2 3.4Å; I129-V139 VanDerWaalsContact CD1-CG2 3.4Å; V139-V182 WeakPolarHBondContact O-CA 3.39Å; V139-T183 PolarHBondContact O-N 3.12Å; V139-I220 HydrophobicContact CG1-CG2 3.72Å; V139-T221 WeakPolarHBondContact CA-O 3.39Å; V139-V222 HydrophobicContact CG2-CG2 4.44Å; V139-L471 HydrophobicContact CG2-CD1 4.44Å
140	R	92.3	Very high	87.1	Confident	62 Å²	62	43.6 Å²	43.6	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.5	174	-59.9	-166.7	-65.5	-90.4	5.9	111.1	L138 F181 V182 I220 T221 E223	L138-R140 HydrophobicContact CG-CG 4.46Å; R140-F181 CarbonylContact C-O 3.54Å; R140-F181 VanDerWaalsContact CA-O 3.32Å; R140-F181 WeakPolarHBondContact CA-O 3.49Å; R140-V182 HydrophobicContact CG-CG2 4.12Å; R140-I220 WeakPolarHBondContact O-CA 3.29Å; R140-T221 PolarHBondContact N-O 2.91Å; R140-T221 PolarHBondContact O-N 3.17Å; R140-E223 IonicContact CZ-OE1 2.79Å; R140-E223 VanDerWaalsContact CZ-OE1 3.27Å; R140-E223 IonicContact CZ-OE2 3.83Å; R140-E223 IonicContact NH1-OE1 2.64Å; R140-E223 PolarHBondContact NH1-OE1 2.98Å; R140-E223 IonicContact NH1-OE2 3.39Å; R140-E223 PolarHBondContact NH1-OE2 3.44Å; R140-E223 IonicContact NH2-OE1 3.23Å; R140-E223 PolarHBondContact NH2-OE1 2.78Å; R140-E223 IonicContact NH2-OE2 3.99Å
141	A	95.2	Very high	87.4	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.4	176.3	0	0	0	0	0	111.2	S180 F181 T183 I189 V192 F218 V219	A141-S180 WeakPolarHBondContact O-CA 3.45Å; A141-F181 PolarHBondContact N-O 3.46Å; A141-F181 PolarHBondContact O-N 3.35Å; A141-T183 HydrophobicContact CB-CG2 4.32Å; A141-I189 HydrophobicContact CB-CD1 3.91Å; A141-I189 HydrophobicContact CB-CG1 3.94Å; A141-V192 HydrophobicContact CB-CG1 4.1Å; A141-F218 HydrophobicContact CB-CE1 4.14Å; A141-F218 HydrophobicContact CB-CZ 3.94Å; A141-V219 WeakPolarHBondContact CA-O 3.43Å
142	S	95.1	Very high	87.8	Confident	11 Å²	11	37.1 Å²	37.1	8%	0.077	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.5	170.9	-69.5	0	0	0	0	108.8	S179 S180 V219	S142-S179 WeakPolarHBondContact CB-O 3.44Å; S142-S179 PolarHBondContact OG-O 3.48Å; S142-S180 WeakPolarHBondContact OG-CA 3.41Å; S142-S180 VanDerWaalsContact OG-CB 3.3Å; S142-S180 WeakPolarHBondContact OG-CB 3.44Å; S142-S180 PolarHBondContact OG-OG 3.43Å; S142-S180 VanDerWaalsContact OG-OG 3.05Å; S142-V219 PolarHBondContact N-O 3.05Å; S142-V219 PolarHBondContact O-N 2.78Å
143	Y	95.7	Very high	88.4	Confident	6 Å²	6	37 Å²	37	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.2	-179.1	-166.3	-165.6	0	0	0	110.7	L154 N197 A216 I217 F218	Y143-L154 HydrophobicContact CD1-CB 4.18Å; Y143-L154 HydrophobicContact CD1-CD1 3.84Å; Y143-L154 HydrophobicContact CD2-CD1 3.9Å; Y143-L154 HydrophobicContact CE1-CD1 3.76Å; Y143-L154 HydrophobicContact CE2-CD1 3.87Å; Y143-L154 HydrophobicContact CG-CB 4.24Å; Y143-L154 HydrophobicContact CG-CD1 3.89Å; Y143-L154 WeakPolarHBondContact O-CB 3.49Å; Y143-L154 PolarHBondContact O-N 2.78Å; Y143-N197 PolarHBondContact OH-OD1 2.85Å; Y143-A216 HydrophobicContact CE2-CB 3.91Å; Y143-I217 WeakPolarHBondContact CD2-O 3.18Å; Y143-F218 AromaticContact CD1-CD2 3.71Å; Y143-F218 HydrophobicContact CD1-CD2 3.71Å; Y143-F218 HydrophobicContact CD1-CE2 4.12Å; Y143-F218 HydrophobicContact CD2-CB 3.82Å; Y143-F218 AromaticContact CD2-CD2 3.65Å; Y143-F218 HydrophobicContact CD2-CD2 3.65Å; Y143-F218 HydrophobicContact CD2-CG 4.19Å; Y143-F218 HydrophobicContact CE1-CD2 4.18Å; Y143-F218 HydrophobicContact CE2-CB 3.96Å; Y143-F218 HydrophobicContact CE2-CD2 4.09Å; Y143-F218 HydrophobicContact CG-CB 4.49Å; Y143-F218 AromaticContact CG-CD2 3.45Å; Y143-F218 HydrophobicContact CG-CD2 3.45Å; Y143-F218 VanDerWaalsContact CG-CD2 3.45Å; Y143-F218 HydrophobicContact CG-CE2 4.09Å; Y143-F218 HydrophobicContact CG-CG 4.37Å
144	L	94.2	Very high	89.2	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.4	-176.7	68.6	87.1	0	0	0	112.3	I146 I151 R152 V175 L178 A216 I217	L144-I146 HydrophobicContact CD1-CG1 3.96Å; L144-I151 HydrophobicContact CB-CG2 4.42Å; L144-I151 HydrophobicContact CD1-CG2 4.33Å; L144-R152 CarbonylContact C-O 3.54Å; L144-R152 VanDerWaalsContact CA-O 3.27Å; L144-R152 WeakPolarHBondContact CA-O 3.32Å; L144-R152 WeakPolarHBondContact CB-O 3.43Å; L144-V175 HydrophobicContact CD2-CG2 3.9Å; L144-L178 HydrophobicContact CB-CD1 4.07Å; L144-L178 HydrophobicContact CD2-CD1 4.3Å; L144-L178 HydrophobicContact CD2-CD2 3.86Å; L144-A216 WeakPolarHBondContact O-CA 3.42Å; L144-I217 HydrophobicContact CD1-CB 3.86Å; L144-I217 HydrophobicContact CD1-CD1 4.18Å; L144-I217 HydrophobicContact CD1-CG1 4.07Å; L144-I217 HydrophobicContact CG-CB 4.05Å; L144-I217 PolarHBondContact N-O 2.92Å; L144-I217 VanDerWaalsContact N-O 3.11Å; L144-I217 PolarHBondContact O-N 3.5Å
145	E	92.2	Very high	89.9	Confident	8 Å²	8	23.1 Å²	23.1	4%	0.037	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.5	174.1	-171.5	172.1	-124.7	0	0	110.1	I151 R152 L154 R200 H210 S214 H215	E145-I151 WeakPolarHBondContact O-CA 3.44Å; E145-R152 PolarHBondContact N-O 2.66Å; E145-R152 PolarHBondContact O-N 3.12Å; E145-L154 HydrophobicContact CB-CD1 4.11Å; E145-L154 HydrophobicContact CB-CD2 3.94Å; E145-L154 HydrophobicContact CB-CG 4.02Å; E145-R200 VanDerWaalsContact OE1-CG 3.26Å; E145-R200 WeakPolarHBondContact OE1-CG 3.47Å; E145-R200 IonicContact OE1-CZ 3.73Å; E145-R200 IonicContact OE1-NE 2.7Å; E145-R200 PolarHBondContact OE1-NE 3.06Å; E145-R200 IonicContact OE1-NH2 3.1Å; E145-H210 IonicContact OE1-CE1 2.67Å; E145-H210 PolarHBondContact OE1-CE1 2.65Å; E145-H210 IonicContact OE1-ND1 3.13Å; E145-H210 PolarHBondContact OE1-ND1 3.28Å; E145-H210 IonicContact OE2-CE1 2.8Å; E145-H210 PolarHBondContact OE2-CE1 2.67Å; E145-H210 IonicContact OE2-ND1 2.71Å; E145-S214 WeakPolarHBondContact OE1-CB 3.32Å; E145-S214 PolarHBondContact OE1-OG 3.16Å; E145-H215 CarbonylContact C-O 3.59Å; E145-H215 WeakPolarHBondContact CA-O 3.46Å
146	I	90.9	Very high	90.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.7	168.3	-47.8	178.9	0	0	0	107.4	L144 E150 I151 S214 H215 I217 K295 L296 L299	L144-I146 HydrophobicContact CD1-CG1 3.96Å; I146-E150 WeakPolarHBondContact CA-O 3.42Å; I146-I151 HydrophobicContact CG1-CG1 4.46Å; I146-S214 WeakPolarHBondContact O-CA 3.24Å; I146-H215 HydrophobicContact CB-CB 4.27Å; I146-H215 PolarHBondContact N-O 3.41Å; I146-H215 PolarHBondContact O-N 2.86Å; I146-I217 HydrophobicContact CD1-CD1 4.07Å; I146-K295 HydrophobicContact CG2-CB 4.4Å; I146-L296 HydrophobicContact CD1-CB 4.05Å; I146-L296 HydrophobicContact CD1-CD1 4.05Å; I146-L299 HydrophobicContact CD1-CD1 3.81Å
147	Y	86.5	Confident	90.3	Very high	21 Å²	21	29.6 Å²	29.6	8%	0.082	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.9	178.8	176.8	-116.5	0	0	0	109.5	E149 E150 H210 R213 E263	Y147-E149 VanDerWaalsContact C-N 3.28Å; Y147-E149 PolarHBondContact O-N 2.71Å; Y147-E150 PolarHBondContact N-O 3.05Å; Y147-E150 WeakPolarHBondContact O-CB 3.27Å; Y147-E150 PolarHBondContact O-N 3.03Å; Y147-H210 AromaticContact CD1-NE2 3.66Å; Y147-H210 AromaticContact CD2-CE1 3.87Å; Y147-H210 AromaticContact CD2-NE2 3.44Å; Y147-H210 WeakPolarHBondContact CD2-NE2 3.36Å; Y147-H210 AromaticContact CE1-NE2 3.64Å; Y147-H210 AromaticContact CE2-CD2 3.9Å; Y147-H210 AromaticContact CE2-NE2 3.45Å; Y147-H210 WeakPolarHBondContact CE2-NE2 3.46Å; Y147-H210 AromaticContact CG-CE1 3.88Å; Y147-H210 AromaticContact CG-NE2 3.55Å; Y147-H210 AromaticContact CZ-NE2 3.53Å; Y147-R213 WeakPolarHBondContact CD2-O 3.39Å; Y147-E263 HydrophobicContact CE2-CG 4.12Å; Y147-E263 PolarHBondContact OH-OE1 2.92Å
148	Q	81.5	Confident	90.1	Very high	60 Å²	60	33.1 Å²	33.1	28%	0.28	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	33.8	-177.9	-60	-169.5	15.5	0	0	115.7	E150 E263 K266	Q148-E150 PolarHBondContact O-N 3.47Å; Q148-E263 HydrophobicContact CG-CG 4.48Å; Q148-K266 HydrophobicContact CB-CD 3.67Å; Q148-K266 HydrophobicContact CG-CD 4.17Å; Q148-K266 PolarHBondContact O-NZ 2.99Å
149	E	87.1	Confident	89.7	Confident	37 Å²	37	34.3 Å²	34.3	17%	0.173	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	20.4	-171.1	-66.9	-60.2	102.9	0	0	115.3	Y147 L269 S270 S294 K295	Y147-E149 VanDerWaalsContact C-N 3.28Å; Y147-E149 PolarHBondContact O-N 2.71Å; E149-L269 HydrophobicContact CG-CD2 4.36Å; E149-S270 WeakPolarHBondContact OE1-CB 3.49Å; E149-S294 WeakPolarHBondContact OE2-CA 3.13Å; E149-S294 WeakPolarHBondContact OE2-CB 3.44Å; E149-K295 WeakPolarHBondContact O-CG 3.22Å; E149-K295 PolarHBondContact OE2-N 2.94Å
150	E	88.5	Confident	88.9	Confident	34 Å²	34	38.9 Å²	38.9	16%	0.159	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.9	173.4	-57.4	173.4	175.7	0	0	109.9	I146 Y147 Q148 R152 R162	I146-E150 WeakPolarHBondContact CA-O 3.42Å; Y147-E150 PolarHBondContact N-O 3.05Å; Y147-E150 WeakPolarHBondContact O-CB 3.27Å; Y147-E150 PolarHBondContact O-N 3.03Å; Q148-E150 PolarHBondContact O-N 3.47Å; E150-R152 IonicContact OE2-NH2 3.81Å; E150-R162 VanDerWaalsContact CD-NH1 3.32Å; E150-R162 IonicContact OE1-CZ 2.63Å; E150-R162 IonicContact OE1-NE 2.75Å; E150-R162 IonicContact OE1-NH1 2.85Å; E150-R162 PolarHBondContact OE1-NH1 3.12Å; E150-R162 IonicContact OE1-NH2 3.25Å; E150-R162 PolarHBondContact OE1-NH2 2.71Å; E150-R162 IonicContact OE2-CZ 2.66Å; E150-R162 IonicContact OE2-NE 2.8Å; E150-R162 PolarHBondContact OE2-NE 2.71Å; E150-R162 IonicContact OE2-NH1 3.22Å; E150-R162 IonicContact OE2-NH2 3.97Å; E150-R162 PolarHBondContact OE2-NH2 3.29Å
151	I	91.6	Very high	88.4	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.6	176.7	-58.3	174	0	0	0	109	L144 E145 I146 L163 L165 V175 K295 L299	L144-I151 HydrophobicContact CB-CG2 4.42Å; L144-I151 HydrophobicContact CD1-CG2 4.33Å; E145-I151 WeakPolarHBondContact O-CA 3.44Å; I146-I151 HydrophobicContact CG1-CG1 4.46Å; I151-L163 HydrophobicContact CB-CB 4.26Å; I151-L163 HydrophobicContact CG2-CB 4.1Å; I151-L163 PolarHBondContact O-N 2.79Å; I151-L165 HydrophobicContact CD1-CD1 4.21Å; I151-L165 HydrophobicContact CD1-CD2 3.41Å; I151-L165 VanDerWaalsContact CD1-CD2 3.41Å; I151-L165 HydrophobicContact CD1-CG 3.56Å; I151-V175 HydrophobicContact CD1-CG2 4.26Å; I151-V175 HydrophobicContact CG2-CG1 4.03Å; I151-V175 HydrophobicContact CG2-CG2 4.47Å; I151-K295 HydrophobicContact CD1-CB 4.43Å; I151-K295 HydrophobicContact CG1-CB 4.48Å; I151-L299 HydrophobicContact CD1-CD1 4.05Å
152	R	91	Very high	87.9	Confident	67 Å²	67	47.6 Å²	47.6	25%	0.253	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.6	174.9	-59.9	-175.8	-174.4	-169.1	1	110.1	L144 E145 E150	L144-R152 CarbonylContact C-O 3.54Å; L144-R152 VanDerWaalsContact CA-O 3.27Å; L144-R152 WeakPolarHBondContact CA-O 3.32Å; L144-R152 WeakPolarHBondContact CB-O 3.43Å; E145-R152 PolarHBondContact N-O 2.66Å; E145-R152 PolarHBondContact O-N 3.12Å; E150-R152 IonicContact OE2-NH2 3.81Å
153	D	93.8	Very high	87.7	Confident	9 Å²	9	48 Å²	48	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.4	174.6	-176.5	-22.4	0	0	0	109.4	L155 S156 Q159 L163 L178 S179	D153-L155 PolarHBondContact O-N 3.21Å; D153-L155 WeakPolarHBondContact OD1-CA 3.36Å; D153-L155 PolarHBondContact OD1-N 2.92Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-Q159 PolarHBondContact O-NE2 3.02Å; D153-Q159 PolarHBondContact O-OE1 3.18Å; D153-L163 HydrophobicContact CB-CD1 3.87Å; D153-L178 HydrophobicContact CB-CD1 4.11Å; D153-S179 VanDerWaalsContact CG-OG 3.23Å; D153-S179 PolarHBondContact OD1-OG 3.25Å; D153-S179 VanDerWaalsContact OD1-OG 3.06Å; D153-S179 WeakPolarHBondContact OD2-CA 3.39Å; D153-S179 WeakPolarHBondContact OD2-CB 3.49Å; D153-S179 PolarHBondContact OD2-N 2.66Å; D153-S179 PolarHBondContact OD2-OG 3.05Å
154	L	91.9	Very high	87.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-74.8	-11.6	-178.6	-65.7	177.6	0	0	0	112.9	Y143 E145 G196 N199 R200	Y143-L154 HydrophobicContact CD1-CB 4.18Å; Y143-L154 HydrophobicContact CD1-CD1 3.84Å; Y143-L154 HydrophobicContact CD2-CD1 3.9Å; Y143-L154 HydrophobicContact CE1-CD1 3.76Å; Y143-L154 HydrophobicContact CE2-CD1 3.87Å; Y143-L154 HydrophobicContact CG-CB 4.24Å; Y143-L154 HydrophobicContact CG-CD1 3.89Å; Y143-L154 WeakPolarHBondContact O-CB 3.49Å; Y143-L154 PolarHBondContact O-N 2.78Å; E145-L154 HydrophobicContact CB-CD1 4.11Å; E145-L154 HydrophobicContact CB-CD2 3.94Å; E145-L154 HydrophobicContact CB-CG 4.02Å; L154-G196 WeakPolarHBondContact O-CA 3.21Å; L154-N199 PolarHBondContact O-ND2 3.23Å; L154-R200 HydrophobicContact CD1-CB 4.41Å; L154-R200 HydrophobicContact CD2-CB 4.1Å
155	L	92.2	Very high	87.3	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.073	25%	0.252	C	S	.	.	S	Bend	trans	-104.7	-12.9	-179.5	-48.8	178.9	0	0	0	112.9	D153 F181 V192	D153-L155 PolarHBondContact O-N 3.21Å; D153-L155 WeakPolarHBondContact OD1-CA 3.36Å; D153-L155 PolarHBondContact OD1-N 2.92Å; L155-F181 HydrophobicContact CB-CD2 4.05Å; L155-F181 HydrophobicContact CB-CE2 3.53Å; L155-F181 HydrophobicContact CB-CZ 4.39Å; L155-F181 HydrophobicContact CD1-CD2 3.7Å; L155-F181 HydrophobicContact CD1-CE2 4.09Å; L155-F181 HydrophobicContact CG-CE2 4.44Å; L155-V192 HydrophobicContact CD1-CG1 3.52Å; L155-V192 HydrophobicContact CD2-CG1 3.69Å; L155-V192 WeakPolarHBondContact CD2-O 3.44Å; L155-V192 HydrophobicContact CG-CG1 4.25Å
156	S	89.1	Confident	87.1	Confident	33 Å²	33	57.8 Å²	57.8	23%	0.231	27%	0.271	C	S	.	.	S	Bend	trans	-62.2	147.1	172	176.8	0	0	0	0	112.3	D153 D158 Q159	D153-S156 PolarHBondContact OD1-N 2.86Å; S156-D158 VanDerWaalsContact C-N 3.34Å; S156-D158 PolarHBondContact OG-N 3.21Å; S156-D158 PolarHBondContact OG-O 3.28Å; S156-Q159 PolarHBondContact O-NE2 2.63Å
157	K	82.3	Confident	86.9	Confident	216 Å²	216	62 Å²	62	94%	0.939	29%	0.29	S	S	*	.	S	Bend	trans	-72.4	-29	168.5	-65.4	-177.3	-179.1	179.1	0	112.4
158	D	82.6	Confident	86.6	Confident	78 Å²	78	67.1 Å²	67.1	42%	0.417	31%	0.31	S	S	.	.			trans	-97.4	102.8	173.8	-175.3	-1	0	0	0	109.3	S156 S160 H161	S156-D158 VanDerWaalsContact C-N 3.34Å; S156-D158 PolarHBondContact OG-N 3.21Å; S156-D158 PolarHBondContact OG-O 3.28Å; D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 WeakPolarHBondContact OD1-CA 3.41Å; D158-S160 VanDerWaalsContact OD1-CB 3.31Å; D158-S160 WeakPolarHBondContact OD1-CB 3.3Å; D158-S160 PolarHBondContact OD1-N 3.47Å; D158-S160 PolarHBondContact OD1-OG 2.85Å; D158-H161 HydrophobicContact CB-CB 4.49Å; D158-H161 PolarHBondContact OD1-N 2.82Å
159	Q	77.4	Confident	86.3	Confident	55 Å²	55	70.7 Å²	70.7	26%	0.257	34%	0.338	S	S	.	.	S	Bend	trans	-85.2	-1.4	176.6	-67.4	-64.5	-46.4	0	0	113.1	D153 S156 N199	D153-Q159 PolarHBondContact O-NE2 3.02Å; D153-Q159 PolarHBondContact O-OE1 3.18Å; S156-Q159 PolarHBondContact O-NE2 2.63Å; Q159-N199 HydrophobicContact CG-CB 4.44Å; Q159-N199 PolarHBondContact NE2-ND2 3.34Å
160	S	75.1	Confident	85.4	Confident	97 Å²	97	75.3 Å²	75.3	68%	0.678	36%	0.364	S	S	*	.	S	Bend	trans	-92	-21.8	176.1	78.3	0	0	0	0	113	D158	D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 WeakPolarHBondContact OD1-CA 3.41Å; D158-S160 VanDerWaalsContact OD1-CB 3.31Å; D158-S160 WeakPolarHBondContact OD1-CB 3.3Å; D158-S160 PolarHBondContact OD1-N 3.47Å; D158-S160 PolarHBondContact OD1-OG 2.85Å
161	H	81.6	Confident	84.5	Confident	101 Å²	101	78.2 Å²	78.2	47%	0.468	38%	0.384	S	S	.	.			trans	-69.1	137.7	178.5	-163.9	-97.3	0	0	0	111.6	D158 L163	D158-H161 HydrophobicContact CB-CB 4.49Å; D158-H161 PolarHBondContact OD1-N 2.82Å; H161-L163 WeakPolarHBondContact ND1-CD2 3.4Å
162	R	85.7	Confident	84	Confident	143 Å²	143	79 Å²	79	54%	0.54	39%	0.393	S	S	.	.			trans	-108.7	133	-179.3	-62.5	170.9	179.3	-155.1	-17.3	108.6	E150	E150-R162 VanDerWaalsContact CD-NH1 3.32Å; E150-R162 IonicContact OE1-CZ 2.63Å; E150-R162 IonicContact OE1-NE 2.75Å; E150-R162 IonicContact OE1-NH1 2.85Å; E150-R162 PolarHBondContact OE1-NH1 3.12Å; E150-R162 IonicContact OE1-NH2 3.25Å; E150-R162 PolarHBondContact OE1-NH2 2.71Å; E150-R162 IonicContact OE2-CZ 2.66Å; E150-R162 IonicContact OE2-NE 2.8Å; E150-R162 PolarHBondContact OE2-NE 2.71Å; E150-R162 IonicContact OE2-NH1 3.22Å; E150-R162 IonicContact OE2-NH2 3.97Å; E150-R162 PolarHBondContact OE2-NH2 3.29Å
163	L	90.8	Very high	83.9	Confident	21 Å²	21	76.2 Å²	76.2	11%	0.11	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-98.2	148.5	-178.2	-58.6	-173.8	0	0	0	112.8	I151 D153 H161 V175 D177 L178	I151-L163 HydrophobicContact CB-CB 4.26Å; I151-L163 HydrophobicContact CG2-CB 4.1Å; I151-L163 PolarHBondContact O-N 2.79Å; D153-L163 HydrophobicContact CB-CD1 3.87Å; H161-L163 WeakPolarHBondContact ND1-CD2 3.4Å; L163-V175 HydrophobicContact CB-CG1 3.48Å; L163-V175 VanDerWaalsContact CB-CG1 3.48Å; L163-V175 HydrophobicContact CD1-CG1 3.61Å; L163-V175 HydrophobicContact CG-CG1 4.2Å; L163-D177 HydrophobicContact CD2-CB 4.43Å; L163-L178 HydrophobicContact CD1-CB 4.02Å; L163-L178 HydrophobicContact CD1-CD1 3.9Å
164	E	89.8	Confident	83.7	Confident	92 Å²	92	78.6 Å²	78.6	43%	0.43	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-99	148	179.5	-73.1	166.4	-162.2	0	0	111.7	R166 K176	E164-R166 IonicContact OE2-CZ 2.99Å; E164-R166 IonicContact OE2-NE 3.28Å; E164-R166 IonicContact OE2-NH2 3.65Å; E164-R166 PolarHBondContact OE2-NH2 3.01Å; E164-K176 PolarHBondContact O-N 3.27Å
165	L	90.9	Very high	83.7	Confident	19 Å²	19	79.2 Å²	79.2	10%	0.099	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132	165.9	-68	-177.9	0	0	0	110.4	I151 V173 V175 K295 R298 L299	I151-L165 HydrophobicContact CD1-CD1 4.21Å; I151-L165 HydrophobicContact CD1-CD2 3.41Å; I151-L165 VanDerWaalsContact CD1-CD2 3.41Å; I151-L165 HydrophobicContact CD1-CG 3.56Å; L165-V173 HydrophobicContact CD1-CG1 4.47Å; L165-V173 HydrophobicContact CD2-CG1 4.29Å; L165-V175 HydrophobicContact CD2-CG2 3.81Å; L165-K295 HydrophobicContact CD1-CB 4.07Å; L165-K295 HydrophobicContact CD1-CD 3.76Å; L165-K295 HydrophobicContact CD1-CG 4.48Å; L165-K295 HydrophobicContact CG-CD 4.28Å; L165-R298 HydrophobicContact CD1-CB 3.71Å; L165-R298 HydrophobicContact CD1-CG 4.49Å; L165-L299 HydrophobicContact CD1-CG 4.31Å; L165-L299 HydrophobicContact CD2-CD1 4.07Å; L165-L299 HydrophobicContact CD2-CD2 3.62Å; L165-L299 HydrophobicContact CD2-CG 3.72Å
166	R	89.4	Confident	83.5	Confident	112 Å²	112	81.8 Å²	81.8	42%	0.423	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	163	169.2	-66.4	-168.7	179.2	-149.9	-5.7	109.9	E164 V173 Y174 K176	E164-R166 IonicContact OE2-CZ 2.99Å; E164-R166 IonicContact OE2-NE 3.28Å; E164-R166 IonicContact OE2-NH2 3.65Å; E164-R166 PolarHBondContact OE2-NH2 3.01Å; R166-V173 WeakPolarHBondContact O-CA 3.26Å; R166-Y174 HydrophobicContact CB-CD1 4.46Å; R166-Y174 HydrophobicContact CB-CE1 3.79Å; R166-Y174 HydrophobicContact CB-CE2 4.25Å; R166-Y174 PolarHBondContact N-O 3.47Å; R166-Y174 WeakPolarHBondContact O-CD1 3.4Å; R166-Y174 PolarHBondContact O-N 3.22Å; R166-Y174 VanDerWaalsContact O-O 3.09Å; R166-K176 HydrophobicContact CG-CB 4.22Å
167	E	85.9	Confident	83.4	Confident	90 Å²	90	85.3 Å²	85.3	42%	0.421	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.4	-175.8	-167.8	169.7	174.5	0	0	107.8	G172 V173 R292 R298	E167-G172 WeakPolarHBondContact CA-O 3.48Å; E167-V173 HydrophobicContact CB-CG2 4.48Å; E167-V173 HydrophobicContact CG-CG2 4.01Å; E167-R292 IonicContact OE2-NH2 3.52Å; E167-R298 IonicContact OE2-NH2 3.99Å
168	R	80.5	Confident	83.8	Confident	129 Å²	129	77 Å²	77	49%	0.487	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.4	172.5	-83	169.2	-171.3	-127.8	3.2	108.5	D170 T171 G172 Y174	R168-D170 PolarHBondContact O-N 2.72Å; R168-T171 PolarHBondContact O-N 3.28Å; R168-G172 PolarHBondContact N-O 3.33Å; R168-G172 WeakPolarHBondContact O-CA 3.26Å; R168-G172 PolarHBondContact O-N 2.97Å; R168-Y174 HydrophobicContact CB-CE1 4.26Å; R168-Y174 HydrophobicContact CG-CE1 3.76Å; R168-Y174 PolarHBondContact NE-OH 3.4Å
169	P	74.3	Confident	84.2	Confident	134 Å²	134	74.8 Å²	74.8	87%	0.87	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.1	177.5	-23.8	34.3	0	0	0	112.8
170	D	69.1	Low	84.7	Confident	135 Å²	135	74.9 Å²	74.9	72%	0.722	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-26.8	-173.3	10.8	-65	0	0	0	113.8	R168	R168-D170 PolarHBondContact O-N 2.72Å
171	T	69.9	Low	85.5	Confident	94 Å²	94	74.7 Å²	74.7	58%	0.577	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-7.3	-175.8	-29.1	0	0	0	0	113.9	R168	R168-T171 PolarHBondContact O-N 3.28Å
172	G	81.6	Confident	85.9	Confident	19 Å²	19	72.6 Å²	72.6	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-149.2	-172	0	0	0	0	0	113	E167 R168	E167-G172 WeakPolarHBondContact CA-O 3.48Å; R168-G172 PolarHBondContact N-O 3.33Å; R168-G172 WeakPolarHBondContact O-CA 3.26Å; R168-G172 PolarHBondContact O-N 2.97Å
173	V	87.9	Confident	86.1	Confident	8 Å²	8	65.9 Å²	65.9	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.7	-179.7	-179.3	0	0	0	0	110.5	L165 R166 E167 R298	L165-V173 HydrophobicContact CD1-CG1 4.47Å; L165-V173 HydrophobicContact CD2-CG1 4.29Å; R166-V173 WeakPolarHBondContact O-CA 3.26Å; E167-V173 HydrophobicContact CB-CG2 4.48Å; E167-V173 HydrophobicContact CG-CG2 4.01Å; V173-R298 HydrophobicContact CG1-CB 4.37Å
174	Y	89.1	Confident	85.9	Confident	59 Å²	59	69 Å²	69	23%	0.231	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.9	178.8	70.7	-78	0	0	0	112	R166 R168	R166-Y174 HydrophobicContact CB-CD1 4.46Å; R166-Y174 HydrophobicContact CB-CE1 3.79Å; R166-Y174 HydrophobicContact CB-CE2 4.25Å; R166-Y174 PolarHBondContact N-O 3.47Å; R166-Y174 WeakPolarHBondContact O-CD1 3.4Å; R166-Y174 PolarHBondContact O-N 3.22Å; R166-Y174 VanDerWaalsContact O-O 3.09Å; R168-Y174 HydrophobicContact CB-CE1 4.26Å; R168-Y174 HydrophobicContact CG-CE1 3.76Å; R168-Y174 PolarHBondContact NE-OH 3.4Å
175	V	92.3	Very high	85.9	Confident	15 Å²	15	66.6 Å²	66.6	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.3	173.1	-172	0	0	0	0	108.4	L144 I151 L163 L165 L178 L299	L144-V175 HydrophobicContact CD2-CG2 3.9Å; I151-V175 HydrophobicContact CD1-CG2 4.26Å; I151-V175 HydrophobicContact CG2-CG1 4.03Å; I151-V175 HydrophobicContact CG2-CG2 4.47Å; L163-V175 HydrophobicContact CB-CG1 3.48Å; L163-V175 VanDerWaalsContact CB-CG1 3.48Å; L163-V175 HydrophobicContact CD1-CG1 3.61Å; L163-V175 HydrophobicContact CG-CG1 4.2Å; L165-V175 HydrophobicContact CD2-CG2 3.81Å; V175-L178 HydrophobicContact CB-CB 3.91Å; V175-L178 HydrophobicContact CB-CD2 4.1Å; V175-L178 HydrophobicContact CG1-CB 3.96Å; V175-L178 HydrophobicContact CG2-CD2 4.36Å; V175-L299 HydrophobicContact CG2-CD1 4.4Å; V175-L299 HydrophobicContact CG2-CD2 3.79Å
176	K	88.4	Confident	85.9	Confident	68 Å²	68	66.1 Å²	66.1	30%	0.296	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	140.1	176.4	-165.9	-140	174.2	-148.4	0	109.6	E164 R166 L178	E164-K176 PolarHBondContact O-N 3.27Å; R166-K176 HydrophobicContact CG-CB 4.22Å; K176-L178 PolarHBondContact O-N 2.9Å; K176-L178 VanDerWaalsContact O-N 3.12Å
177	D	87.6	Confident	85.9	Confident	107 Å²	107	70.6 Å²	70.6	57%	0.572	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	20.6	176.3	-47.8	-31.4	0	0	0	115.1	L163	L163-D177 HydrophobicContact CD2-CB 4.43Å
178	L	90.3	Very high	86.2	Confident	41 Å²	41	70.2 Å²	70.2	22%	0.215	36%	0.362	C	S	.	.			trans	-68.6	127.4	171.6	179.5	67.6	0	0	0	110.5	L144 D153 L163 V175 K176	L144-L178 HydrophobicContact CB-CD1 4.07Å; L144-L178 HydrophobicContact CD2-CD1 4.3Å; L144-L178 HydrophobicContact CD2-CD2 3.86Å; D153-L178 HydrophobicContact CB-CD1 4.11Å; L163-L178 HydrophobicContact CD1-CB 4.02Å; L163-L178 HydrophobicContact CD1-CD1 3.9Å; V175-L178 HydrophobicContact CB-CB 3.91Å; V175-L178 HydrophobicContact CB-CD2 4.1Å; V175-L178 HydrophobicContact CG1-CB 3.96Å; V175-L178 HydrophobicContact CG2-CD2 4.36Å; K176-L178 PolarHBondContact O-N 2.9Å; K176-L178 VanDerWaalsContact O-N 3.12Å
179	S	89.9	Confident	86.9	Confident	31 Å²	31	64.1 Å²	64.1	22%	0.217	34%	0.339	C	S	.	.			trans	-69.1	146.8	178.3	70.4	0	0	0	0	111.9	S142 D153	S142-S179 WeakPolarHBondContact CB-O 3.44Å; S142-S179 PolarHBondContact OG-O 3.48Å; D153-S179 VanDerWaalsContact CG-OG 3.23Å; D153-S179 PolarHBondContact OD1-OG 3.25Å; D153-S179 VanDerWaalsContact OD1-OG 3.06Å; D153-S179 WeakPolarHBondContact OD2-CA 3.39Å; D153-S179 WeakPolarHBondContact OD2-CB 3.49Å; D153-S179 PolarHBondContact OD2-N 2.66Å; D153-S179 PolarHBondContact OD2-OG 3.05Å
180	S	89.1	Confident	87.7	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	31%	0.306	S	S	.	.			trans	-141.2	124.7	-178.8	-156.7	0	0	0	0	109.5	A141 S142	A141-S180 WeakPolarHBondContact O-CA 3.45Å; S142-S180 WeakPolarHBondContact OG-CA 3.41Å; S142-S180 VanDerWaalsContact OG-CB 3.3Å; S142-S180 WeakPolarHBondContact OG-CB 3.44Å; S142-S180 PolarHBondContact OG-OG 3.43Å; S142-S180 VanDerWaalsContact OG-OG 3.05Å
181	F	92.1	Very high	88.9	Confident	93 Å²	93	59 Å²	59	41%	0.408	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.9	-174.5	-73.1	-100.4	0	0	0	109.5	R140 A141 L155 V192	R140-F181 CarbonylContact C-O 3.54Å; R140-F181 VanDerWaalsContact CA-O 3.32Å; R140-F181 WeakPolarHBondContact CA-O 3.49Å; A141-F181 PolarHBondContact N-O 3.46Å; A141-F181 PolarHBondContact O-N 3.35Å; L155-F181 HydrophobicContact CB-CD2 4.05Å; L155-F181 HydrophobicContact CB-CE2 3.53Å; L155-F181 HydrophobicContact CB-CZ 4.39Å; L155-F181 HydrophobicContact CD1-CD2 3.7Å; L155-F181 HydrophobicContact CD1-CE2 4.09Å; L155-F181 HydrophobicContact CG-CE2 4.44Å; F181-V192 HydrophobicContact CB-CG2 4.06Å; F181-V192 HydrophobicContact CG-CG2 4.49Å
182	V	90.4	Very high	90	Very high	57 Å²	57	55.2 Å²	55.2	35%	0.345	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130	171.7	178.2	0	0	0	0	108.7	L138 V139 R140 K469	L138-V182 HydrophobicContact CD1-CG1 3.57Å; L138-V182 HydrophobicContact CD1-CG2 4.2Å; V139-V182 WeakPolarHBondContact O-CA 3.39Å; R140-V182 HydrophobicContact CG-CG2 4.12Å; V182-K469 HydrophobicContact CG1-CB 4.31Å
183	T	89.5	Confident	90.5	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	27%	0.268	C	S	.	.			trans	-125.4	125	-176.6	52.7	0	0	0	0	110.2	F126 V139 A141 E188 I189 V192	F126-T183 WeakPolarHBondContact CZ-O 3.27Å; V139-T183 PolarHBondContact O-N 3.12Å; A141-T183 HydrophobicContact CB-CG2 4.32Å; T183-E188 HydrophobicContact CG2-CB 4.35Å; T183-I189 HydrophobicContact CG2-CB 3.88Å; T183-I189 HydrophobicContact CG2-CG1 4.28Å; T183-V192 HydrophobicContact CG2-CG2 4.01Å
184	K	86.1	Confident	90.7	Very high	86 Å²	86	57.3 Å²	57.3	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-97.5	-12.3	-176.2	-58.6	-170.5	-170.6	-169.8	0	114.4	F126 E188 S468 L471	F126-K184 VanDerWaalsContact CE1-C 3.41Å; K184-E188 PolarHBondContact N-OE2 2.9Å; K184-S468 PolarHBondContact NZ-O 3.1Å; K184-L471 HydrophobicContact CB-CD2 3.97Å; K184-L471 HydrophobicContact CG-CD2 4.42Å; K184-L471 WeakPolarHBondContact O-CD2 3.45Å
185	S	88.9	Confident	90.8	Very high	42 Å²	42	56.7 Å²	56.7	29%	0.294	28%	0.284	S	S	.	.	S	Bend	trans	-149.8	160.6	-178.9	65.7	0	0	0	0	112.2	R187 E188 I189	S185-R187 PolarHBondContact O-N 3.17Å; S185-E188 PolarHBondContact O-N 2.76Å; S185-E188 PolarHBondContact OG-N 3.41Å; S185-I189 PolarHBondContact O-N 3.29Å
186	A	90.6	Very high	90.7	Very high	10 Å²	10	56 Å²	56	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-53.3	-38.6	174.3	0	0	0	0	0	112.2	E123 F126 E188 I189 E190	E123-A186 WeakPolarHBondContact OE1-CB 3.49Å; F126-A186 HydrophobicContact CB-CB 4.47Å; F126-A186 HydrophobicContact CD2-CB 4.09Å; F126-A186 VanDerWaalsContact CD2-N 3.35Å; A186-E188 PolarHBondContact O-N 3.04Å; A186-I189 WeakPolarHBondContact O-CG2 3.46Å; A186-I189 PolarHBondContact O-N 3.41Å; A186-E190 WeakPolarHBondContact O-CB 3.47Å; A186-E190 WeakPolarHBondContact O-CG 3.48Å; A186-E190 PolarHBondContact O-N 3.08Å
187	R	90.7	Very high	90.6	Very high	206 Å²	206	53.4 Å²	53.4	78%	0.777	27%	0.269	S	S	*	.	H	α-helix	trans	-66	-34.6	177.4	-65.5	-176.9	-179.9	179.7	0.8	113.5	S185 H191	S185-R187 PolarHBondContact O-N 3.17Å; R187-H191 WeakPolarHBondContact O-CB 3.35Å; R187-H191 PolarHBondContact O-N 2.94Å
188	E	92.7	Very high	90.6	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-70.4	-42.7	176.9	-75.9	170	-142.6	0	0	111.5	T183 K184 S185 A186 H191 V192	T183-E188 HydrophobicContact CG2-CB 4.35Å; K184-E188 PolarHBondContact N-OE2 2.9Å; S185-E188 PolarHBondContact O-N 2.76Å; S185-E188 PolarHBondContact OG-N 3.41Å; A186-E188 PolarHBondContact O-N 3.04Å; E188-H191 WeakPolarHBondContact O-CB 3.3Å; E188-H191 PolarHBondContact O-N 2.96Å; E188-V192 WeakPolarHBondContact O-CG2 3.48Å; E188-V192 PolarHBondContact O-N 3.38Å
189	I	94.1	Very high	90.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-72.3	-34.3	177.2	-164.9	164.8	0	0	0	112.2	F122 F126 A141 T183 S185 A186 H191 V192 M193 F218 I220	F122-I189 HydrophobicContact CB-CG2 3.63Å; F122-I189 HydrophobicContact CD1-CD1 3.76Å; F122-I189 HydrophobicContact CD1-CG1 3.97Å; F122-I189 HydrophobicContact CD1-CG2 3.83Å; F122-I189 HydrophobicContact CD2-CG2 3.65Å; F122-I189 HydrophobicContact CE1-CD1 3.71Å; F122-I189 HydrophobicContact CE1-CG1 3.73Å; F122-I189 HydrophobicContact CE1-CG2 4.36Å; F122-I189 HydrophobicContact CE2-CG1 4.3Å; F122-I189 HydrophobicContact CE2-CG2 4.2Å; F122-I189 HydrophobicContact CG-CB 4.48Å; F122-I189 HydrophobicContact CG-CD1 4.49Å; F122-I189 HydrophobicContact CG-CG1 4.36Å; F122-I189 HydrophobicContact CG-CG2 3.43Å; F122-I189 VanDerWaalsContact CG-CG2 3.43Å; F122-I189 HydrophobicContact CZ-CD1 4.38Å; F122-I189 HydrophobicContact CZ-CG1 3.89Å; F126-I189 HydrophobicContact CD2-CG2 4.3Å; F126-I189 HydrophobicContact CE2-CB 4.27Å; F126-I189 HydrophobicContact CE2-CG2 3.63Å; A141-I189 HydrophobicContact CB-CD1 3.91Å; A141-I189 HydrophobicContact CB-CG1 3.94Å; T183-I189 HydrophobicContact CG2-CB 3.88Å; T183-I189 HydrophobicContact CG2-CG1 4.28Å; S185-I189 PolarHBondContact O-N 3.29Å; A186-I189 WeakPolarHBondContact O-CG2 3.46Å; A186-I189 PolarHBondContact O-N 3.41Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.09Å; I189-V192 PolarHBondContact O-N 3.37Å; I189-M193 PolarHBondContact O-N 2.89Å; I189-F218 HydrophobicContact CD1-CE1 4.09Å; I189-F218 HydrophobicContact CD1-CZ 4.38Å; I189-F218 HydrophobicContact CG1-CE1 4.08Å; I189-F218 HydrophobicContact CG1-CZ 3.88Å; I189-I220 HydrophobicContact CD1-CD1 4.13Å; I189-I220 HydrophobicContact CD1-CG1 4.3Å; I189-I220 HydrophobicContact CD1-CG2 4.22Å
190	E	92.4	Very high	90	Very high	41 Å²	41	53.9 Å²	53.9	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-41.1	166.5	-79.8	-171.7	156.5	0	0	110.6	R115 F122 A186 M193 N194	R115-E190 IonicContact CZ-OE1 3.85Å; R115-E190 IonicContact NH1-OE1 3.7Å; R115-E190 PolarHBondContact NH1-OE1 2.92Å; R115-E190 IonicContact NH2-OE1 3.27Å; R115-E190 PolarHBondContact NH2-OE1 3.12Å; F122-E190 HydrophobicContact CD2-CG 3.9Å; F122-E190 HydrophobicContact CE2-CG 4.37Å; A186-E190 WeakPolarHBondContact O-CB 3.47Å; A186-E190 WeakPolarHBondContact O-CG 3.48Å; A186-E190 PolarHBondContact O-N 3.08Å; E190-M193 PolarHBondContact O-N 2.86Å; E190-N194 WeakPolarHBondContact O-CB 3.45Å; E190-N194 VanDerWaalsContact O-CG 3.29Å; E190-N194 PolarHBondContact O-N 3.37Å; E190-N194 PolarHBondContact O-ND2 2.92Å
191	H	92.5	Very high	89.1	Confident	121 Å²	121	54 Å²	54	56%	0.56	27%	0.265	S	S	*	.	H	α-helix	trans	-64.7	-43.8	176.2	-174.2	72	0	0	0	112.3	R187 E188 I189 M193 N194 V195	R187-H191 WeakPolarHBondContact O-CB 3.35Å; R187-H191 PolarHBondContact O-N 2.94Å; E188-H191 WeakPolarHBondContact O-CB 3.3Å; E188-H191 PolarHBondContact O-N 2.96Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.09Å; H191-M193 VanDerWaalsContact C-N 3.33Å; H191-M193 PolarHBondContact O-N 3.24Å; H191-N194 WeakPolarHBondContact O-CB 3.47Å; H191-N194 PolarHBondContact O-N 2.9Å; H191-N194 VanDerWaalsContact O-N 3.16Å; H191-V195 WeakPolarHBondContact O-CG2 3.48Å; H191-V195 PolarHBondContact O-N 2.82Å
192	V	94	Very high	87.6	Confident	15 Å²	15	53.7 Å²	53.7	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-57.2	-45.7	173.8	171.9	0	0	0	0	111.2	A141 L155 F181 T183 E188 I189 N194 V195 G196 F218	A141-V192 HydrophobicContact CB-CG1 4.1Å; L155-V192 HydrophobicContact CD1-CG1 3.52Å; L155-V192 HydrophobicContact CD2-CG1 3.69Å; L155-V192 WeakPolarHBondContact CD2-O 3.44Å; L155-V192 HydrophobicContact CG-CG1 4.25Å; F181-V192 HydrophobicContact CB-CG2 4.06Å; F181-V192 HydrophobicContact CG-CG2 4.49Å; T183-V192 HydrophobicContact CG2-CG2 4.01Å; E188-V192 WeakPolarHBondContact O-CG2 3.48Å; E188-V192 PolarHBondContact O-N 3.38Å; I189-V192 PolarHBondContact O-N 3.37Å; V192-N194 PolarHBondContact O-N 3.11Å; V192-V195 PolarHBondContact O-N 2.95Å; V192-G196 PolarHBondContact O-N 3.32Å; V192-G196 VanDerWaalsContact O-N 3.1Å; V192-F218 HydrophobicContact CG1-CE2 4.45Å; V192-F218 HydrophobicContact CG1-CZ 4.46Å
193	M	92.4	Very high	85.9	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.044	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-43.1	174.8	-172.8	-171.3	-176.7	0	0	112.2	E106 I118 F122 I189 E190 H191 G196 N197 F218	E106-M193 HydrophobicContact CB-CE 3.86Å; E106-M193 HydrophobicContact CG-CE 3.59Å; I118-M193 HydrophobicContact CB-CE 4.07Å; I118-M193 HydrophobicContact CB-SD 4.43Å; I118-M193 HydrophobicContact CD1-CE 3.95Å; I118-M193 HydrophobicContact CG2-CE 3.7Å; I118-M193 HydrophobicContact CG2-SD 3.56Å; I118-M193 VanDerWaalsContact CG2-SD 3.56Å; F122-M193 HydrophobicContact CE2-CB 4.17Å; F122-M193 HydrophobicContact CE2-SD 3.86Å; F122-M193 HydrophobicContact CZ-CB 4.26Å; F122-M193 HydrophobicContact CZ-SD 4.08Å; I189-M193 PolarHBondContact O-N 2.89Å; E190-M193 PolarHBondContact O-N 2.86Å; H191-M193 VanDerWaalsContact C-N 3.33Å; H191-M193 PolarHBondContact O-N 3.24Å; M193-G196 PolarHBondContact O-N 2.88Å; M193-N197 WeakPolarHBondContact O-CB 3.27Å; M193-N197 PolarHBondContact O-N 3Å; M193-F218 HydrophobicContact CB-CE2 3.84Å; M193-F218 HydrophobicContact CB-CZ 4.34Å; M193-F218 HydrophobicContact CG-CD2 4.46Å; M193-F218 HydrophobicContact CG-CE2 4.21Å
194	N	91	Very high	84.2	Confident	61 Å²	61	53.9 Å²	53.9	33%	0.326	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-43	178.2	-78.2	-55.6	0	0	0	112.3	R109 E190 H191 V192 N197 Q198	R109-N194 PolarHBondContact NH1-OD1 2.84Å; E190-N194 WeakPolarHBondContact O-CB 3.45Å; E190-N194 VanDerWaalsContact O-CG 3.29Å; E190-N194 PolarHBondContact O-N 3.37Å; E190-N194 PolarHBondContact O-ND2 2.92Å; H191-N194 WeakPolarHBondContact O-CB 3.47Å; H191-N194 PolarHBondContact O-N 2.9Å; H191-N194 VanDerWaalsContact O-N 3.16Å; V192-N194 PolarHBondContact O-N 3.11Å; N194-N197 PolarHBondContact O-N 2.81Å; N194-Q198 PolarHBondContact O-N 3.32Å
195	V	91.4	Very high	82.2	Confident	47 Å²	47	55.4 Å²	55.4	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-48.3	176.3	171.1	0	0	0	0	110.9	H191 V192 N197 Q198 N199	H191-V195 WeakPolarHBondContact O-CG2 3.48Å; H191-V195 PolarHBondContact O-N 2.82Å; V192-V195 PolarHBondContact O-N 2.95Å; V195-N197 VanDerWaalsContact C-N 3.34Å; V195-N197 PolarHBondContact O-N 2.87Å; V195-Q198 WeakPolarHBondContact O-CB 3.44Å; V195-Q198 PolarHBondContact O-N 3.19Å; V195-Q198 VanDerWaalsContact O-N 3.11Å; V195-N199 PolarHBondContact O-N 2.83Å
196	G	90.2	Very high	80	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-37.8	178.5	0	0	0	0	0	113.5	L154 V192 M193 Q198 N199 R200	L154-G196 WeakPolarHBondContact O-CA 3.21Å; V192-G196 PolarHBondContact O-N 3.32Å; V192-G196 VanDerWaalsContact O-N 3.1Å; M193-G196 PolarHBondContact O-N 2.88Å; G196-Q198 VanDerWaalsContact C-N 3.31Å; G196-Q198 PolarHBondContact O-N 3.04Å; G196-N199 PolarHBondContact O-N 2.93Å; G196-R200 WeakPolarHBondContact O-CB 3.21Å; G196-R200 PolarHBondContact O-N 3.44Å
197	N	87.5	Confident	77.5	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-67.8	-28.7	173.2	-86.9	-22.8	0	0	0	113.4	E106 R109 Y143 M193 N194 V195 S201	E106-N197 VanDerWaalsContact CD-ND2 3.34Å; E106-N197 PolarHBondContact OE1-ND2 2.81Å; E106-N197 PolarHBondContact OE2-ND2 2.86Å; R109-N197 PolarHBondContact NH2-ND2 2.99Å; R109-N197 VanDerWaalsContact NH2-ND2 3.12Å; Y143-N197 PolarHBondContact OH-OD1 2.85Å; M193-N197 WeakPolarHBondContact O-CB 3.27Å; M193-N197 PolarHBondContact O-N 3Å; N194-N197 PolarHBondContact O-N 2.81Å; V195-N197 VanDerWaalsContact C-N 3.34Å; V195-N197 PolarHBondContact O-N 2.87Å; N197-S201 WeakPolarHBondContact O-CB 3.42Å; N197-S201 PolarHBondContact O-N 3.44Å; N197-S201 VanDerWaalsContact O-N 3.08Å; N197-S201 PolarHBondContact O-OG 2.72Å; N197-S201 VanDerWaalsContact O-OG 3.13Å
198	Q	86.5	Confident	75.2	Confident	126 Å²	126	59.2 Å²	59.2	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-69.3	-45.1	171.6	-174.2	173.7	-2.2	0	0	110.6	N194 V195 G196 R200 S201 V202	N194-Q198 PolarHBondContact O-N 3.32Å; V195-Q198 WeakPolarHBondContact O-CB 3.44Å; V195-Q198 PolarHBondContact O-N 3.19Å; V195-Q198 VanDerWaalsContact O-N 3.11Å; G196-Q198 VanDerWaalsContact C-N 3.31Å; G196-Q198 PolarHBondContact O-N 3.04Å; Q198-R200 VanDerWaalsContact C-N 3.34Å; Q198-R200 PolarHBondContact O-N 2.81Å; Q198-S201 PolarHBondContact O-N 2.87Å; Q198-S201 PolarHBondContact O-OG 2.9Å; Q198-V202 WeakPolarHBondContact O-CG2 3.48Å; Q198-V202 PolarHBondContact O-N 2.88Å
199	N	85.8	Confident	73.3	Confident	45 Å²	45	62.1 Å²	62.1	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175.9	-70.4	-21.1	0	0	0	111.8	L154 Q159 V195 G196 S201 V202 G203	L154-N199 PolarHBondContact O-ND2 3.23Å; Q159-N199 HydrophobicContact CG-CB 4.44Å; Q159-N199 PolarHBondContact NE2-ND2 3.34Å; V195-N199 PolarHBondContact O-N 2.83Å; G196-N199 PolarHBondContact O-N 2.93Å; N199-S201 VanDerWaalsContact C-N 3.34Å; N199-S201 PolarHBondContact O-N 2.9Å; N199-V202 PolarHBondContact O-N 2.9Å; N199-G203 PolarHBondContact O-N 3.02Å
200	R	83.1	Confident	71.5	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-40	172.8	-162.7	176.3	-174.5	-155.3	-2	112.9	E145 L154 G196 Q198 A204 S214 D244	E145-R200 VanDerWaalsContact OE1-CG 3.26Å; E145-R200 WeakPolarHBondContact OE1-CG 3.47Å; E145-R200 IonicContact OE1-CZ 3.73Å; E145-R200 IonicContact OE1-NE 2.7Å; E145-R200 PolarHBondContact OE1-NE 3.06Å; E145-R200 IonicContact OE1-NH2 3.1Å; L154-R200 HydrophobicContact CD1-CB 4.41Å; L154-R200 HydrophobicContact CD2-CB 4.1Å; G196-R200 WeakPolarHBondContact O-CB 3.21Å; G196-R200 PolarHBondContact O-N 3.44Å; Q198-R200 VanDerWaalsContact C-N 3.34Å; Q198-R200 PolarHBondContact O-N 2.81Å; R200-A204 PolarHBondContact O-N 2.87Å; R200-S214 PolarHBondContact NH2-O 3.38Å; R200-S214 PolarHBondContact NH2-OG 3Å; R200-D244 IonicContact NH1-OD2 3.55Å
201	S	68.6	Low	70.1	Confident	61 Å²	61	63.5 Å²	63.5	43%	0.427	35%	0.354	S	S	.	.	H	α-helix	trans	-79.4	-30.8	-178.9	62.4	0	0	0	0	114	N197 Q198 N199 G203 A204 T205	N197-S201 WeakPolarHBondContact O-CB 3.42Å; N197-S201 PolarHBondContact O-N 3.44Å; N197-S201 VanDerWaalsContact O-N 3.08Å; N197-S201 PolarHBondContact O-OG 2.72Å; N197-S201 VanDerWaalsContact O-OG 3.13Å; Q198-S201 PolarHBondContact O-N 2.87Å; Q198-S201 PolarHBondContact O-OG 2.9Å; N199-S201 VanDerWaalsContact C-N 3.34Å; N199-S201 PolarHBondContact O-N 2.9Å; S201-G203 VanDerWaalsContact C-N 3.29Å; S201-G203 PolarHBondContact O-N 2.72Å; S201-A204 WeakPolarHBondContact O-CB 3.44Å; S201-A204 PolarHBondContact O-N 2.72Å; S201-A204 VanDerWaalsContact O-N 3.1Å; S201-T205 PolarHBondContact O-N 2.86Å; S201-T205 VanDerWaalsContact O-N 3.12Å
202	V	62.1	Low	68.9	Low	86 Å²	86	58.5 Å²	58.5	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-39.2	170.1	171.4	0	0	0	0	110.9	Q198 N199 A204 T205	Q198-V202 WeakPolarHBondContact O-CG2 3.48Å; Q198-V202 PolarHBondContact O-N 2.88Å; N199-V202 PolarHBondContact O-N 2.9Å; V202-A204 VanDerWaalsContact C-N 3.34Å; V202-A204 PolarHBondContact O-N 3.06Å; V202-T205 PolarHBondContact O-N 3.41Å; V202-T205 PolarHBondContact O-OG1 2.95Å
203	G	54.4	Low	68	Low	36 Å²	36	60.1 Å²	60.1	37%	0.371	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-44.6	169.6	0	0	0	0	0	112.9	N199 S201 T205 N206	N199-G203 PolarHBondContact O-N 3.02Å; S201-G203 VanDerWaalsContact C-N 3.29Å; S201-G203 PolarHBondContact O-N 2.72Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 3.31Å; G203-N206 PolarHBondContact O-N 3.39Å
204	A	52.7	Low	67.6	Low	27 Å²	27	59.7 Å²	59.7	22%	0.223	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-31.8	-179.4	0	0	0	0	0	114.1	R200 S201 V202 N206 H210	R200-A204 PolarHBondContact O-N 2.87Å; S201-A204 WeakPolarHBondContact O-CB 3.44Å; S201-A204 PolarHBondContact O-N 2.72Å; S201-A204 VanDerWaalsContact O-N 3.1Å; V202-A204 VanDerWaalsContact C-N 3.34Å; V202-A204 PolarHBondContact O-N 3.06Å; A204-N206 PolarHBondContact O-N 3.38Å; A204-H210 HydrophobicContact CB-CB 3.61Å
205	T	44.1	Very low	67.6	Low	118 Å²	118	57 Å²	57	72%	0.724	32%	0.32	S	S	*	.	H	α-helix	trans	-66.7	-18.8	-179.5	45.7	0	0	0	0	114.8	S201 V202 G203	S201-T205 PolarHBondContact O-N 2.86Å; S201-T205 VanDerWaalsContact O-N 3.12Å; V202-T205 PolarHBondContact O-N 3.41Å; V202-T205 PolarHBondContact O-OG1 2.95Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 3.31Å
206	N	42.7	Very low	67.7	Low	144 Å²	144	54.8 Å²	54.8	77%	0.77	31%	0.307	S	S	*	.	H	α-helix	trans	-86.4	-30.7	-179.1	-93.2	-22.4	0	0	0	114.5	G203 A204	G203-N206 PolarHBondContact O-N 3.39Å; A204-N206 PolarHBondContact O-N 3.38Å
207	M	39.6	Very low	67.9	Low	112 Å²	112	55 Å²	55	55%	0.552	31%	0.308	S	S	*	.	S	Bend	trans	-151.9	64.8	-176.3	-65.2	-169.4	95	0	0	114.8
208	N	41	Very low	68.4	Low	81 Å²	81	54.5 Å²	54.5	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	69.8	171.2	174.1	-89.5	40.9	0	0	0	116.8	H210 R260	N208-H210 PolarHBondContact O-N 3.09Å; N208-R260 VanDerWaalsContact CG-NH2 3.27Å; N208-R260 PolarHBondContact ND2-NH2 3.3Å; N208-R260 PolarHBondContact OD1-NH2 3.22Å
209	E	52.9	Low	68.8	Low	142 Å²	142	49.1 Å²	49.1	66%	0.664	28%	0.281	S	S	*	.			trans	-47.3	91.4	-179.5	-166.8	171.5	-158.3	0	0	113.7	S212	E209-S212 PolarHBondContact O-OG 3.13Å; E209-S212 VanDerWaalsContact O-OG 3.12Å
210	H	56.8	Low	69.3	Low	14 Å²	14	47 Å²	47	7%	0.065	27%	0.269	C	S	.	.			trans	-86.7	-21.5	-167.4	-164.7	-97.9	0	0	0	115.3	E145 Y147 A204 N208 S212 R213 S214	E145-H210 IonicContact OE1-CE1 2.67Å; E145-H210 PolarHBondContact OE1-CE1 2.65Å; E145-H210 IonicContact OE1-ND1 3.13Å; E145-H210 PolarHBondContact OE1-ND1 3.28Å; E145-H210 IonicContact OE2-CE1 2.8Å; E145-H210 PolarHBondContact OE2-CE1 2.67Å; E145-H210 IonicContact OE2-ND1 2.71Å; Y147-H210 AromaticContact CD1-NE2 3.66Å; Y147-H210 AromaticContact CD2-CE1 3.87Å; Y147-H210 AromaticContact CD2-NE2 3.44Å; Y147-H210 WeakPolarHBondContact CD2-NE2 3.36Å; Y147-H210 AromaticContact CE1-NE2 3.64Å; Y147-H210 AromaticContact CE2-CD2 3.9Å; Y147-H210 AromaticContact CE2-NE2 3.45Å; Y147-H210 WeakPolarHBondContact CE2-NE2 3.46Å; Y147-H210 AromaticContact CG-CE1 3.88Å; Y147-H210 AromaticContact CG-NE2 3.55Å; Y147-H210 AromaticContact CZ-NE2 3.53Å; A204-H210 HydrophobicContact CB-CB 3.61Å; N208-H210 PolarHBondContact O-N 3.09Å; H210-S212 VanDerWaalsContact C-N 3.25Å; H210-S212 PolarHBondContact O-N 3.43Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.88Å; H210-S214 PolarHBondContact ND1-OG 3.32Å; H210-S214 PolarHBondContact O-N 2.92Å; H210-S214 PolarHBondContact O-OG 2.9Å
211	S	62.9	Low	69.8	Low	58 Å²	58	47.2 Å²	47.2	41%	0.406	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23	-174.9	56.9	0	0	0	0	113.6	R213	S211-R213 VanDerWaalsContact C-N 3.27Å
212	S	66.7	Low	71	Confident	16 Å²	16	44.4 Å²	44.4	11%	0.112	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.9	170.6	47.4	0	0	0	0	113.8	T97 E209 H210 A246 G247	T97-S212 WeakPolarHBondContact OG1-CB 3.33Å; E209-S212 PolarHBondContact O-OG 3.13Å; E209-S212 VanDerWaalsContact O-OG 3.12Å; H210-S212 VanDerWaalsContact C-N 3.25Å; H210-S212 PolarHBondContact O-N 3.43Å; S212-A246 WeakPolarHBondContact O-CB 3.28Å; S212-G247 PolarHBondContact O-N 3Å
213	R	75.1	Confident	72.3	Confident	49 Å²	49	42.8 Å²	42.8	19%	0.185	24%	0.24	C	C	.	.	S	Bend	trans	-121.5	4.2	-163.6	-62.7	-161.5	-177.4	-172.3	-8.8	114.5	Y147 H210 S211 E263 I267	Y147-R213 WeakPolarHBondContact CD2-O 3.39Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.88Å; S211-R213 VanDerWaalsContact C-N 3.27Å; R213-E263 WeakPolarHBondContact CD-OE1 3.38Å; R213-E263 IonicContact CZ-OE1 2.97Å; R213-E263 IonicContact NE-OE1 2.94Å; R213-E263 IonicContact NH1-OE1 2.78Å; R213-E263 PolarHBondContact NH1-OE1 2.7Å; R213-E263 IonicContact NH1-OE2 3.58Å; R213-E263 PolarHBondContact NH1-OE2 2.74Å; R213-I267 HydrophobicContact CB-CD1 3.51Å; R213-I267 HydrophobicContact CB-CG1 4.43Å; R213-I267 HydrophobicContact CG-CD1 3.79Å; R213-I267 WeakPolarHBondContact O-CG1 3.47Å
214	S	84.8	Confident	74	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-143.4	143.8	-173.8	50.6	0	0	0	0	109.2	E145 I146 R200 H210	E145-S214 WeakPolarHBondContact OE1-CB 3.32Å; E145-S214 PolarHBondContact OE1-OG 3.16Å; I146-S214 WeakPolarHBondContact O-CA 3.24Å; R200-S214 PolarHBondContact NH2-O 3.38Å; R200-S214 PolarHBondContact NH2-OG 3Å; H210-S214 PolarHBondContact ND1-OG 3.32Å; H210-S214 PolarHBondContact O-N 2.92Å; H210-S214 PolarHBondContact O-OG 2.9Å
215	H	90.7	Very high	75.4	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.3	172.5	-49.8	-74.9	0	0	0	108.4	E145 I146 D244 L245 A246 S270 L296	E145-H215 CarbonylContact C-O 3.59Å; E145-H215 WeakPolarHBondContact CA-O 3.46Å; I146-H215 HydrophobicContact CB-CB 4.27Å; I146-H215 PolarHBondContact N-O 3.41Å; I146-H215 PolarHBondContact O-N 2.86Å; H215-D244 WeakPolarHBondContact CA-O 3.5Å; H215-L245 HydrophobicContact CB-CD2 4.32Å; H215-L245 WeakPolarHBondContact ND1-CA 3.45Å; H215-L245 WeakPolarHBondContact ND1-CD2 3.37Å; H215-A246 VanDerWaalsContact CE1-CB 3.42Å; H215-A246 WeakPolarHBondContact CE1-CB 3.49Å; H215-A246 PolarHBondContact CE1-N 2.92Å; H215-A246 PolarHBondContact ND1-N 3.4Å; H215-S270 PolarHBondContact NE2-OG 3.3Å; H215-L296 HydrophobicContact CB-CD1 4.27Å
216	A	92.6	Very high	77.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.5	175.2	0	0	0	0	0	109.8	Y143 L144 V243 D244	Y143-A216 HydrophobicContact CE2-CB 3.91Å; L144-A216 WeakPolarHBondContact O-CA 3.42Å; A216-V243 WeakPolarHBondContact O-CA 3.33Å; A216-D244 PolarHBondContact N-O 2.95Å; A216-D244 PolarHBondContact O-N 3.01Å
217	I	95.6	Very high	79	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105.2	-178.8	-52.3	-173.8	0	0	0	108.5	Y143 L144 I146 V219 V243 L296 L299	Y143-I217 WeakPolarHBondContact CD2-O 3.18Å; L144-I217 HydrophobicContact CD1-CB 3.86Å; L144-I217 HydrophobicContact CD1-CD1 4.18Å; L144-I217 HydrophobicContact CD1-CG1 4.07Å; L144-I217 HydrophobicContact CG-CB 4.05Å; L144-I217 PolarHBondContact N-O 2.92Å; L144-I217 VanDerWaalsContact N-O 3.11Å; L144-I217 PolarHBondContact O-N 3.5Å; I146-I217 HydrophobicContact CD1-CD1 4.07Å; I217-V219 HydrophobicContact CG2-CG2 3.83Å; I217-V243 HydrophobicContact CD1-CG2 4.45Å; I217-V243 HydrophobicContact CG1-CG1 4.21Å; I217-V243 HydrophobicContact CG1-CG2 4.13Å; I217-V243 HydrophobicContact CG2-CG2 4.01Å; I217-L296 HydrophobicContact CD1-CD1 4.26Å; I217-L299 HydrophobicContact CD1-CD1 4.39Å
218	F	96.7	Very high	80.4	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.1	170.5	-162.9	-82.9	0	0	0	108.5	F122 A141 Y143 I189 V192 M193 I220 L242	F122-F218 HydrophobicContact CE1-CD1 4.18Å; F122-F218 AromaticContact CE1-CE1 3.55Å; F122-F218 HydrophobicContact CE1-CE1 3.55Å; F122-F218 HydrophobicContact CE1-CZ 4.07Å; F122-F218 HydrophobicContact CZ-CD1 4.31Å; F122-F218 AromaticContact CZ-CE1 3.65Å; F122-F218 HydrophobicContact CZ-CE1 3.65Å; F122-F218 HydrophobicContact CZ-CE2 4.43Å; F122-F218 AromaticContact CZ-CZ 3.72Å; F122-F218 HydrophobicContact CZ-CZ 3.72Å; A141-F218 HydrophobicContact CB-CE1 4.14Å; A141-F218 HydrophobicContact CB-CZ 3.94Å; Y143-F218 AromaticContact CD1-CD2 3.71Å; Y143-F218 HydrophobicContact CD1-CD2 3.71Å; Y143-F218 HydrophobicContact CD1-CE2 4.12Å; Y143-F218 HydrophobicContact CD2-CB 3.82Å; Y143-F218 AromaticContact CD2-CD2 3.65Å; Y143-F218 HydrophobicContact CD2-CD2 3.65Å; Y143-F218 HydrophobicContact CD2-CG 4.19Å; Y143-F218 HydrophobicContact CE1-CD2 4.18Å; Y143-F218 HydrophobicContact CE2-CB 3.96Å; Y143-F218 HydrophobicContact CE2-CD2 4.09Å; Y143-F218 HydrophobicContact CG-CB 4.49Å; Y143-F218 AromaticContact CG-CD2 3.45Å; Y143-F218 HydrophobicContact CG-CD2 3.45Å; Y143-F218 VanDerWaalsContact CG-CD2 3.45Å; Y143-F218 HydrophobicContact CG-CE2 4.09Å; Y143-F218 HydrophobicContact CG-CG 4.37Å; I189-F218 HydrophobicContact CD1-CE1 4.09Å; I189-F218 HydrophobicContact CD1-CZ 4.38Å; I189-F218 HydrophobicContact CG1-CE1 4.08Å; I189-F218 HydrophobicContact CG1-CZ 3.88Å; V192-F218 HydrophobicContact CG1-CE2 4.45Å; V192-F218 HydrophobicContact CG1-CZ 4.46Å; M193-F218 HydrophobicContact CB-CE2 3.84Å; M193-F218 HydrophobicContact CB-CZ 4.34Å; M193-F218 HydrophobicContact CG-CD2 4.46Å; M193-F218 HydrophobicContact CG-CE2 4.21Å; F218-I220 HydrophobicContact CD1-CG1 3.94Å; F218-I220 HydrophobicContact CE1-CD1 4.37Å; F218-I220 HydrophobicContact CE1-CG1 3.86Å; F218-L242 HydrophobicContact CB-CB 4.27Å; F218-L242 HydrophobicContact CD1-CD1 4.38Å; F218-L242 PolarHBondContact N-O 3.24Å; F218-L242 PolarHBondContact O-N 3.41Å
219	V	96	Very high	81.8	Confident	13 Å²	13	35.6 Å²	35.6	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.4	-176.1	-177	0	0	0	0	108.6	A141 S142 I217 K239 L240	A141-V219 WeakPolarHBondContact CA-O 3.43Å; S142-V219 PolarHBondContact N-O 3.05Å; S142-V219 PolarHBondContact O-N 2.78Å; I217-V219 HydrophobicContact CG2-CG2 3.83Å; V219-K239 HydrophobicContact CG1-CD 4.35Å; V219-K239 HydrophobicContact CG1-CG 3.91Å; V219-L240 WeakPolarHBondContact CA-O 3.42Å
220	I	96.4	Very high	82.4	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	169.4	-41.5	-177.4	0	0	0	107.7	F122 I125 V139 R140 I189 F218 V222 K239 L240 L242	F122-I220 HydrophobicContact CD1-CD1 3.79Å; F122-I220 HydrophobicContact CE1-CD1 3.69Å; F122-I220 HydrophobicContact CE1-CG1 4.5Å; I125-I220 HydrophobicContact CD1-CD1 3.84Å; I125-I220 HydrophobicContact CD1-CG2 4.23Å; V139-I220 HydrophobicContact CG1-CG2 3.72Å; R140-I220 WeakPolarHBondContact O-CA 3.29Å; I189-I220 HydrophobicContact CD1-CD1 4.13Å; I189-I220 HydrophobicContact CD1-CG1 4.3Å; I189-I220 HydrophobicContact CD1-CG2 4.22Å; F218-I220 HydrophobicContact CD1-CG1 3.94Å; F218-I220 HydrophobicContact CE1-CD1 4.37Å; F218-I220 HydrophobicContact CE1-CG1 3.86Å; I220-V222 HydrophobicContact CG2-CG2 4.12Å; I220-K239 CarbonylContact O-C 3.29Å; I220-K239 WeakPolarHBondContact O-CA 3.18Å; I220-L240 HydrophobicContact CB-CB 4.3Å; I220-L240 HydrophobicContact CD1-CD2 4.23Å; I220-L240 PolarHBondContact N-O 2.63Å; I220-L240 PolarHBondContact O-N 3.15Å; I220-L242 HydrophobicContact CD1-CD1 3.91Å; I220-L242 HydrophobicContact CG1-CD1 4.2Å
221	T	94.1	Very high	83	Confident	23 Å²	23	33.7 Å²	33.7	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.2	168.8	-55.2	0	0	0	0	108	V139 R140 E223 V237 G238	V139-T221 WeakPolarHBondContact CA-O 3.39Å; R140-T221 PolarHBondContact N-O 2.91Å; R140-T221 PolarHBondContact O-N 3.17Å; T221-E223 HydrophobicContact CG2-CG 4.36Å; T221-V237 HydrophobicContact CG2-CG1 3.86Å; T221-G238 WeakPolarHBondContact CA-O 3.25Å
222	V	93.3	Very high	83.5	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.1	175.7	-177	0	0	0	0	107.5	L84 I125 Y137 V139 I220 G238	L84-V222 HydrophobicContact CD2-CG1 4.39Å; I125-V222 HydrophobicContact CD1-CG2 4.47Å; I125-V222 HydrophobicContact CG2-CG2 4.22Å; Y137-V222 HydrophobicContact CD1-CG1 3.76Å; Y137-V222 HydrophobicContact CE1-CG1 4.15Å; V139-V222 HydrophobicContact CG2-CG2 4.44Å; I220-V222 HydrophobicContact CG2-CG2 4.12Å; V222-G238 PolarHBondContact N-O 3.45Å; V222-G238 PolarHBondContact O-N 2.96Å
223	E	89.9	Confident	83.7	Confident	51 Å²	51	40.1 Å²	40.1	24%	0.238	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.8	168.6	-61.3	177.3	168.6	0	0	108.3	Y137 L138 R140 T221 R236 V237	Y137-E223 WeakPolarHBondContact CA-O 3.31Å; L138-E223 HydrophobicContact CB-CB 4.32Å; L138-E223 PolarHBondContact N-O 2.85Å; L138-E223 PolarHBondContact O-N 2.87Å; R140-E223 IonicContact CZ-OE1 2.79Å; R140-E223 VanDerWaalsContact CZ-OE1 3.27Å; R140-E223 IonicContact CZ-OE2 3.83Å; R140-E223 IonicContact NH1-OE1 2.64Å; R140-E223 PolarHBondContact NH1-OE1 2.98Å; R140-E223 IonicContact NH1-OE2 3.39Å; R140-E223 PolarHBondContact NH1-OE2 3.44Å; R140-E223 IonicContact NH2-OE1 3.23Å; R140-E223 PolarHBondContact NH2-OE1 2.78Å; R140-E223 IonicContact NH2-OE2 3.99Å; T221-E223 HydrophobicContact CG2-CG 4.36Å; E223-R236 WeakPolarHBondContact CA-O 3.21Å; E223-V237 HydrophobicContact CG-CG1 4.05Å; E223-V237 HydrophobicContact CG-CG2 4.05Å
224	C	88.4	Confident	84	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.2	177.3	-178.9	0	0	0	0	108.2	Q136 Y137 I235 R236	Q136-C224 WeakPolarHBondContact O-CA 3.45Å; Y137-C224 HydrophobicContact CD1-CB 3.9Å; Y137-C224 HydrophobicContact CE1-CB 3.62Å; C224-I235 WeakPolarHBondContact O-CA 3.34Å; C224-R236 PolarHBondContact N-O 3.08Å; C224-R236 PolarHBondContact O-N 3.43Å
225	S	83.6	Confident	84	Confident	25 Å²	25	43.2 Å²	43.2	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.2	168.3	-168.7	0	0	0	0	108.3	Q135 Q136 H234	Q135-S225 WeakPolarHBondContact CA-O 3.49Å; Q136-S225 PolarHBondContact N-O 3.3Å; Q136-S225 PolarHBondContact O-N 3.01Å; S225-H234 WeakPolarHBondContact CA-O 3.45Å
226	E	84.2	Confident	84	Confident	58 Å²	58	44.6 Å²	44.6	27%	0.271	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.4	179.7	179.1	168.2	-137.8	0	0	109.1	Q135 G228 H234 R236	Q135-E226 HydrophobicContact CG-CB 4.16Å; Q135-E226 HydrophobicContact CG-CG 4.05Å; Q135-E226 VanDerWaalsContact NE2-CD 3.34Å; Q135-E226 PolarHBondContact NE2-OE1 3.36Å; E226-G228 PolarHBondContact O-N 2.96Å; E226-H234 PolarHBondContact N-O 2.93Å; E226-H234 PolarHBondContact O-N 3.5Å; E226-R236 IonicContact OE2-CZ 3.98Å; E226-R236 IonicContact OE2-NH1 3.37Å; E226-R236 PolarHBondContact OE2-NH1 3.5Å; E226-R236 IonicContact OE2-NH2 2.71Å; E226-R236 PolarHBondContact OE2-NH2 3.11Å
227	L	76.9	Confident	83.9	Confident	108 Å²	108	46.8 Å²	46.8	57%	0.565	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.1	173.9	-157.4	103	0	0	0	108.6
228	G	70.3	Confident	83.7	Confident	18 Å²	18	46.6 Å²	46.6	19%	0.186	26%	0.263	C	S	.	.			trans	-74.1	169.7	-178.7	0	0	0	0	0	113	E226 D230 G231 E232	E226-G228 PolarHBondContact O-N 2.96Å; G228-D230 WeakPolarHBondContact CA-OD1 3.48Å; G228-D230 PolarHBondContact O-N 3.36Å; G228-G231 PolarHBondContact O-N 3.45Å; G228-E232 PolarHBondContact N-O 3.19Å
229	V	68.8	Low	83.6	Confident	155 Å²	155	49.9 Å²	49.9	94%	0.939	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.6	175.2	-143.8	0	0	0	0	112.5
230	D	67.5	Low	83.7	Confident	67 Å²	67	49.3 Å²	49.3	36%	0.358	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.2	173.8	41.5	23.5	0	0	0	113	G228 E232 H234	G228-D230 WeakPolarHBondContact CA-OD1 3.48Å; G228-D230 PolarHBondContact O-N 3.36Å; D230-E232 VanDerWaalsContact C-N 3.26Å; D230-E232 PolarHBondContact O-N 2.79Å; D230-E232 PolarHBondContact OD1-N 2.92Å; D230-H234 IonicContact OD1-CD2 3.73Å; D230-H234 IonicContact OD1-CE1 3.84Å; D230-H234 IonicContact OD1-NE2 2.69Å; D230-H234 PolarHBondContact OD1-NE2 2.85Å; D230-H234 IonicContact OD2-CE1 3.88Å; D230-H234 PolarHBondContact OD2-CE1 2.89Å; D230-H234 IonicContact OD2-NE2 2.9Å; D230-H234 PolarHBondContact OD2-NE2 3.29Å; D230-H234 VanDerWaalsContact OD2-NE2 3.1Å
231	G	68	Low	83.7	Confident	48 Å²	48	50 Å²	50	50%	0.495	28%	0.278	S	S	.	.	S	Bend	trans	81.5	-5.7	-176.7	0	0	0	0	0	114.6	G228	G228-G231 PolarHBondContact O-N 3.45Å
232	E	73.4	Confident	83.8	Confident	116 Å²	116	49 Å²	49	54%	0.542	27%	0.271	S	S	.	.	S	Bend	trans	-84	154.5	176.4	-63.8	-163.6	157.2	0	0	111.4	G228 D230 H234	G228-E232 PolarHBondContact N-O 3.19Å; D230-E232 VanDerWaalsContact C-N 3.26Å; D230-E232 PolarHBondContact O-N 2.79Å; D230-E232 PolarHBondContact OD1-N 2.92Å; E232-H234 PolarHBondContact O-CD2 3.43Å; E232-H234 PolarHBondContact O-N 3.05Å
233	N	71.8	Confident	84	Confident	93 Å²	93	48.9 Å²	48.9	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104.9	177.2	-84.5	-64.1	0	0	0	110.5
234	H	81.4	Confident	84.2	Confident	30 Å²	30	46.8 Å²	46.8	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.7	176.9	-66.4	-105.4	0	0	0	109.8	S225 E226 D230 E232 D351	S225-H234 WeakPolarHBondContact CA-O 3.45Å; E226-H234 PolarHBondContact N-O 2.93Å; E226-H234 PolarHBondContact O-N 3.5Å; D230-H234 IonicContact OD1-CD2 3.73Å; D230-H234 IonicContact OD1-CE1 3.84Å; D230-H234 IonicContact OD1-NE2 2.69Å; D230-H234 PolarHBondContact OD1-NE2 2.85Å; D230-H234 IonicContact OD2-CE1 3.88Å; D230-H234 PolarHBondContact OD2-CE1 2.89Å; D230-H234 IonicContact OD2-NE2 2.9Å; D230-H234 PolarHBondContact OD2-NE2 3.29Å; D230-H234 VanDerWaalsContact OD2-NE2 3.1Å; E232-H234 PolarHBondContact O-CD2 3.43Å; E232-H234 PolarHBondContact O-N 3.05Å; H234-D351 VanDerWaalsContact CA-OD2 3.3Å; H234-D351 WeakPolarHBondContact CA-OD2 3.29Å; H234-D351 WeakPolarHBondContact ND1-CB 3.44Å; H234-D351 IonicContact ND1-OD1 3.68Å; H234-D351 IonicContact ND1-OD2 3.58Å
235	I	84.4	Confident	84.4	Confident	85 Å²	85	46.6 Å²	46.6	44%	0.436	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.7	-176.6	-58	178.6	0	0	0	110.6	C224 V237 E347 D348 D351	C224-I235 WeakPolarHBondContact O-CA 3.34Å; I235-V237 HydrophobicContact CG2-CG2 4.49Å; I235-E347 WeakPolarHBondContact O-CA 3.48Å; I235-D348 PolarHBondContact O-N 2.88Å; I235-D351 PolarHBondContact N-OD2 3.36Å
236	R	89.6	Confident	84.6	Confident	33 Å²	33	45.4 Å²	45.4	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.8	178.3	-54.9	-170	-68.5	-92.4	-1.4	111.1	E223 C224 E226 N346 E347	E223-R236 WeakPolarHBondContact CA-O 3.21Å; C224-R236 PolarHBondContact N-O 3.08Å; C224-R236 PolarHBondContact O-N 3.43Å; E226-R236 IonicContact OE2-CZ 3.98Å; E226-R236 IonicContact OE2-NH1 3.37Å; E226-R236 PolarHBondContact OE2-NH1 3.5Å; E226-R236 IonicContact OE2-NH2 2.71Å; E226-R236 PolarHBondContact OE2-NH2 3.11Å; R236-N346 WeakPolarHBondContact CA-O 3.33Å; R236-E347 VanDerWaalsContact CD-OE1 3.31Å; R236-E347 WeakPolarHBondContact CD-OE1 3.4Å; R236-E347 HydrophobicContact CG-CG 4.01Å
237	V	90.4	Very high	84.7	Confident	47 Å²	47	42.7 Å²	42.7	29%	0.285	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	107.9	-175.7	-173.3	0	0	0	0	111	T221 E223 I235 N346	T221-V237 HydrophobicContact CG2-CG1 3.86Å; E223-V237 HydrophobicContact CG-CG1 4.05Å; E223-V237 HydrophobicContact CG-CG2 4.05Å; I235-V237 HydrophobicContact CG2-CG2 4.49Å; V237-N346 PolarHBondContact N-O 3.35Å; V237-N346 WeakPolarHBondContact O-CB 3.22Å; V237-N346 PolarHBondContact O-ND2 3.35Å
238	G	93.3	Very high	84.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.1	171.8	0	0	0	0	0	111.8	V83 F87 T221 V222	V83-G238 WeakPolarHBondContact O-CA 3.46Å; F87-G238 WeakPolarHBondContact O-CA 3.18Å; T221-G238 WeakPolarHBondContact CA-O 3.25Å; V222-G238 PolarHBondContact N-O 3.45Å; V222-G238 PolarHBondContact O-N 2.96Å
239	K	94.4	Very high	85.2	Confident	70 Å²	70	39 Å²	39	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.4	174.1	-172.9	-177.4	178.3	-173.3	0	110.5	N88 G89 V219 I220 N241	N88-K239 CarbonylContact C-O 3.54Å; N88-K239 WeakPolarHBondContact CA-O 3.5Å; N88-K239 WeakPolarHBondContact OD1-CB 3.41Å; G89-K239 PolarHBondContact N-O 3.22Å; G89-K239 VanDerWaalsContact O-O 3.12Å; V219-K239 HydrophobicContact CG1-CD 4.35Å; V219-K239 HydrophobicContact CG1-CG 3.91Å; I220-K239 CarbonylContact O-C 3.29Å; I220-K239 WeakPolarHBondContact O-CA 3.18Å; K239-N241 WeakPolarHBondContact CE-OD1 3.44Å
240	L	97.1	Very high	84.9	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114	174	179.6	57.3	0	0	0	110.4	L79 V80 V83 G89 I91 I125 V219 I220 L242	L79-L240 HydrophobicContact CD2-CD1 3.52Å; V80-L240 HydrophobicContact CG2-CD2 4.05Å; V83-L240 HydrophobicContact CB-CB 4.5Å; V83-L240 HydrophobicContact CG1-CB 4.05Å; V83-L240 HydrophobicContact CG2-CB 4.07Å; V83-L240 HydrophobicContact CG2-CD1 4.29Å; G89-L240 CarbonylContact O-C 3.58Å; G89-L240 VanDerWaalsContact O-CA 3.32Å; G89-L240 WeakPolarHBondContact O-CA 3.45Å; I91-L240 HydrophobicContact CG1-CD1 4.46Å; I125-L240 HydrophobicContact CD1-CD2 4.43Å; V219-L240 WeakPolarHBondContact CA-O 3.42Å; I220-L240 HydrophobicContact CB-CB 4.3Å; I220-L240 HydrophobicContact CD1-CD2 4.23Å; I220-L240 PolarHBondContact N-O 2.63Å; I220-L240 PolarHBondContact O-N 3.15Å; L240-L242 HydrophobicContact CD1-CD2 4.46Å; L240-L242 HydrophobicContact CD1-CG 4.46Å; L240-L242 HydrophobicContact CD2-CD1 4.04Å; L240-L242 HydrophobicContact CD2-CD2 4.36Å; L240-L242 HydrophobicContact CD2-CG 4.25Å; L240-L242 HydrophobicContact CG-CD1 4.16Å; L240-L242 HydrophobicContact CG-CD2 4.36Å; L240-L242 HydrophobicContact CG-CG 3.98Å
241	N	96.9	Very high	84.4	Confident	16 Å²	16	34.9 Å²	34.9	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.5	170.6	-50.1	-64	0	0	0	109.8	G89 T90 I91 K239 V243	G89-N241 PolarHBondContact O-N 2.96Å; T90-N241 CarbonylContact C-O 3.55Å; T90-N241 WeakPolarHBondContact CA-O 3.43Å; T90-N241 HydrophobicContact CG2-CB 4.18Å; T90-N241 PolarHBondContact OG1-ND2 3.24Å; I91-N241 PolarHBondContact N-O 3.47Å; K239-N241 WeakPolarHBondContact CE-OD1 3.44Å; N241-V243 HydrophobicContact CB-CG2 4.38Å
242	L	96.9	Very high	83.8	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.8	177.9	-66.3	152.8	0	0	0	108.1	I91 M105 V117 I118 F218 I220 L240	I91-L242 HydrophobicContact CB-CD2 4.28Å; I91-L242 HydrophobicContact CD1-CD2 4.08Å; M105-L242 HydrophobicContact CE-CB 3.93Å; M105-L242 HydrophobicContact CE-CD2 4.27Å; V117-L242 HydrophobicContact CG1-CD2 4.2Å; V117-L242 HydrophobicContact CG2-CD2 4.32Å; I118-L242 HydrophobicContact CD1-CB 4.37Å; I118-L242 HydrophobicContact CG1-CB 3.93Å; I118-L242 HydrophobicContact CG1-CD1 4.11Å; I118-L242 HydrophobicContact CG1-CD2 4.24Å; I118-L242 HydrophobicContact CG1-CG 4.31Å; I118-L242 HydrophobicContact CG2-CD1 4.39Å; F218-L242 HydrophobicContact CB-CB 4.27Å; F218-L242 HydrophobicContact CD1-CD1 4.38Å; F218-L242 PolarHBondContact N-O 3.24Å; F218-L242 PolarHBondContact O-N 3.41Å; I220-L242 HydrophobicContact CD1-CD1 3.91Å; I220-L242 HydrophobicContact CG1-CD1 4.2Å; L240-L242 HydrophobicContact CD1-CD2 4.46Å; L240-L242 HydrophobicContact CD1-CG 4.46Å; L240-L242 HydrophobicContact CD2-CD1 4.04Å; L240-L242 HydrophobicContact CD2-CD2 4.36Å; L240-L242 HydrophobicContact CD2-CG 4.25Å; L240-L242 HydrophobicContact CG-CD1 4.16Å; L240-L242 HydrophobicContact CG-CD2 4.36Å; L240-L242 HydrophobicContact CG-CG 3.98Å
243	V	96.5	Very high	83	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.4	-165.4	-179.3	0	0	0	0	111.2	T90 I91 F92 A93 A216 I217 N241 L245 L300	T90-V243 HydrophobicContact CG2-CG2 4.45Å; I91-V243 PolarHBondContact O-N 2.66Å; F92-V243 WeakPolarHBondContact CA-O 3.44Å; F92-V243 HydrophobicContact CB-CB 3.67Å; F92-V243 HydrophobicContact CB-CG1 4.03Å; F92-V243 HydrophobicContact CB-CG2 4.37Å; A93-V243 PolarHBondContact N-O 3.45Å; A216-V243 WeakPolarHBondContact O-CA 3.33Å; I217-V243 HydrophobicContact CD1-CG2 4.45Å; I217-V243 HydrophobicContact CG1-CG1 4.21Å; I217-V243 HydrophobicContact CG1-CG2 4.13Å; I217-V243 HydrophobicContact CG2-CG2 4.01Å; N241-V243 HydrophobicContact CB-CG2 4.38Å; V243-L245 HydrophobicContact CG1-CD2 3.42Å; V243-L245 VanDerWaalsContact CG1-CD2 3.42Å; V243-L245 HydrophobicContact CG1-CG 3.89Å; V243-L300 HydrophobicContact CG2-CD2 4.07Å
244	D	94.6	Very high	82.2	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	103	168.5	-171.1	33.8	0	0	0	108.1	K101 T102 M105 R200 H215 A216	K101-D244 VanDerWaalsContact CB-OD1 3.27Å; K101-D244 WeakPolarHBondContact CB-OD1 3.28Å; T102-D244 WeakPolarHBondContact CB-OD2 3.35Å; T102-D244 WeakPolarHBondContact CG2-OD2 3.35Å; T102-D244 PolarHBondContact N-OD1 2.88Å; T102-D244 VanDerWaalsContact N-OD1 3.11Å; T102-D244 PolarHBondContact OG1-OD1 2.78Å; T102-D244 PolarHBondContact OG1-OD2 3.38Å; M105-D244 HydrophobicContact CB-CB 4.26Å; M105-D244 HydrophobicContact CG-CB 3.99Å; R200-D244 IonicContact NH1-OD2 3.55Å; H215-D244 WeakPolarHBondContact CA-O 3.5Å; A216-D244 PolarHBondContact N-O 2.95Å; A216-D244 PolarHBondContact O-N 3.01Å
245	L	92.1	Very high	81.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-77.4	161.8	-177.6	-61.2	176	0	0	0	111.9	F92 A93 Y94 K101 H215 V243 L271 L274 L296	F92-L245 HydrophobicContact CD2-CD1 3.86Å; A93-L245 VanDerWaalsContact O-CB 3.28Å; A93-L245 WeakPolarHBondContact O-CB 3.43Å; A93-L245 WeakPolarHBondContact O-CG 3.35Å; A93-L245 PolarHBondContact O-N 2.98Å; Y94-L245 HydrophobicContact CD2-CD1 3.83Å; Y94-L245 HydrophobicContact CG-CD1 4.47Å; K101-L245 WeakPolarHBondContact CE-O 3.32Å; H215-L245 HydrophobicContact CB-CD2 4.32Å; H215-L245 WeakPolarHBondContact ND1-CA 3.45Å; H215-L245 WeakPolarHBondContact ND1-CD2 3.37Å; V243-L245 HydrophobicContact CG1-CD2 3.42Å; V243-L245 VanDerWaalsContact CG1-CD2 3.42Å; V243-L245 HydrophobicContact CG1-CG 3.89Å; L245-L271 HydrophobicContact CB-CD2 4.44Å; L245-L271 HydrophobicContact CD1-CD2 4.32Å; L245-L274 HydrophobicContact CD1-CD2 3.99Å; L245-L296 HydrophobicContact CD2-CD1 3.87Å; L245-L296 HydrophobicContact CD2-CD2 3.87Å; L245-L296 HydrophobicContact CD2-CG 4.49Å
246	A	88.4	Confident	79.7	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-63.2	171.2	168.2	0	0	0	0	0	112.8	K101 S212 H215 I267 L271	K101-A246 VanDerWaalsContact CE-O 3.25Å; K101-A246 WeakPolarHBondContact CE-O 3.5Å; K101-A246 PolarHBondContact NZ-O 3.16Å; S212-A246 WeakPolarHBondContact O-CB 3.28Å; H215-A246 VanDerWaalsContact CE1-CB 3.42Å; H215-A246 WeakPolarHBondContact CE1-CB 3.49Å; H215-A246 PolarHBondContact CE1-N 2.92Å; H215-A246 PolarHBondContact ND1-N 3.4Å; A246-I267 HydrophobicContact CB-CG2 3.75Å; A246-L271 HydrophobicContact CB-CD1 4.37Å
247	G	84.9	Confident	78.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64	133.2	173.3	0	0	0	0	0	113.1	T97 S212 E249 L271	T97-G247 WeakPolarHBondContact OG1-CA 3.41Å; S212-G247 PolarHBondContact O-N 3Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 VanDerWaalsContact C-OE2 3.26Å; G247-E249 WeakPolarHBondContact CA-OE2 3.49Å; G247-E249 PolarHBondContact O-N 2.85Å; G247-L271 WeakPolarHBondContact O-CD1 3.49Å
248	S	82.9	Confident	77.1	Confident	18 Å²	18	40.8 Å²	40.8	13%	0.126	24%	0.238	C	C	.	.			trans	-84.7	6.7	177.8	70.7	0	0	0	0	114.7	G95 Q96	G95-S248 PolarHBondContact O-N 3.12Å; G95-S248 VanDerWaalsContact O-N 3.12Å; G95-S248 PolarHBondContact O-OG 3.31Å; Q96-S248 PolarHBondContact N-OG 3.4Å; Q96-S248 VanDerWaalsContact N-OG 3.16Å
249	E	74.9	Confident	75.6	Confident	32 Å²	32	47.6 Å²	47.6	15%	0.15	27%	0.27	C	S	.	.			trans	-67.9	148.3	-174.4	53.6	-87.4	-163.6	0	0	115.5	Q96 T97 G247 T254 N268 E325	Q96-E249 HydrophobicContact CG-CB 4.23Å; T97-E249 WeakPolarHBondContact CB-OE1 3.46Å; T97-E249 PolarHBondContact N-OE2 2.92Å; T97-E249 PolarHBondContact OG1-OE1 2.89Å; T97-E249 PolarHBondContact OG1-OE2 3.32Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 VanDerWaalsContact C-OE2 3.26Å; G247-E249 WeakPolarHBondContact CA-OE2 3.49Å; G247-E249 PolarHBondContact O-N 2.85Å; E249-T254 HydrophobicContact CG-CG2 4.29Å; E249-N268 PolarHBondContact O-ND2 3.49Å; E249-E325 WeakPolarHBondContact CA-OE2 3.37Å
250	R	62.4	Low	74	Confident	71 Å²	71	49.5 Å²	49.5	27%	0.268	28%	0.275	S	S	.	.			trans	-71.8	137.1	171.8	-62.3	-174.1	178.3	-126.6	-1.4	112	T252 K253 E564	R250-T252 PolarHBondContact O-N 2.96Å; R250-T252 VanDerWaalsContact O-N 3.12Å; R250-K253 PolarHBondContact O-N 3.3Å; R250-K253 VanDerWaalsContact O-N 3.13Å; R250-E564 IonicContact NH1-OE1 3.48Å; R250-E564 PolarHBondContact NH1-OE1 2.94Å; R250-E564 IonicContact NH1-OE2 3.51Å; R250-E564 PolarHBondContact NH1-OE2 2.76Å
251	Q	57.4	Low	72.5	Confident	64 Å²	64	53.2 Å²	53.2	30%	0.299	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29.5	-177.8	-72.5	163.9	24.3	0	0	114.2	K253 T254 A264	Q251-K253 PolarHBondContact O-N 3.43Å; Q251-K253 VanDerWaalsContact O-N 3.09Å; Q251-T254 PolarHBondContact O-N 3.44Å; Q251-T254 PolarHBondContact O-OG1 3.2Å; Q251-T254 VanDerWaalsContact O-OG1 3.06Å; Q251-A264 HydrophobicContact CG-CB 4Å; Q251-A264 PolarHBondContact NE2-O 2.96Å; Q251-A264 VanDerWaalsContact NE2-O 3.09Å
252	T	56.5	Low	71	Confident	129 Å²	129	59.9 Å²	59.9	79%	0.791	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22.4	178.4	47.7	0	0	0	0	113.8	R250	R250-T252 PolarHBondContact O-N 2.96Å; R250-T252 VanDerWaalsContact O-N 3.12Å
253	K	55	Low	69.5	Low	66 Å²	66	60.4 Å²	60.4	29%	0.287	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-88.4	-16.4	176.8	-71.8	176.3	-179.9	163.5	0	114.4	R250 Q251 E324 E325	R250-K253 PolarHBondContact O-N 3.3Å; R250-K253 VanDerWaalsContact O-N 3.13Å; Q251-K253 PolarHBondContact O-N 3.43Å; Q251-K253 VanDerWaalsContact O-N 3.09Å; K253-E324 WeakPolarHBondContact CE-OE2 3.31Å; K253-E324 IonicContact NZ-OE2 3.43Å; K253-E324 PolarHBondContact NZ-OE2 3.42Å; K253-E325 WeakPolarHBondContact CE-OE1 3.43Å; K253-E325 IonicContact NZ-OE1 3.77Å; K253-E325 PolarHBondContact NZ-OE1 3.44Å
254	T	56.5	Low	68	Low	71 Å²	71	61.1 Å²	61.1	44%	0.436	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-15.8	-173.1	66.9	0	0	0	0	113.9	E249 Q251 A256	E249-T254 HydrophobicContact CG-CG2 4.29Å; Q251-T254 PolarHBondContact O-N 3.44Å; Q251-T254 PolarHBondContact O-OG1 3.2Å; Q251-T254 VanDerWaalsContact O-OG1 3.06Å; T254-A256 PolarHBondContact O-N 2.9Å; T254-A256 VanDerWaalsContact O-N 3.13Å
255	G	57.1	Low	66.7	Low	66 Å²	66	64.3 Å²	64.3	68%	0.68	35%	0.351	S	S	*	.			trans	61.1	20.2	176.7	0	0	0	0	0	114.6
256	A	56.4	Low	65.6	Low	20 Å²	20	68.1 Å²	68.1	17%	0.165	37%	0.367	C	S	.	.			trans	-72.2	133.6	-172.8	0	0	0	0	0	112.5	T254 R260	T254-A256 PolarHBondContact O-N 2.9Å; T254-A256 VanDerWaalsContact O-N 3.13Å; A256-R260 HydrophobicContact CB-CB 3.99Å
257	Q	54.2	Low	64.6	Low	169 Å²	169	68.8 Å²	68.8	79%	0.79	37%	0.371	S	S	*	.			trans	-119.1	158.1	175.6	-65.1	-176	-7.5	0	0	111.3
258	G	70.5	Confident	63.9	Low	54 Å²	54	70.4 Å²	70.4	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-135.6	173.3	0	0	0	0	0	113.8	R260 L261	G258-R260 PolarHBondContact O-N 2.75Å; G258-L261 WeakPolarHBondContact O-CB 3.36Å; G258-L261 PolarHBondContact O-N 2.89Å
259	E	60.8	Low	63.8	Low	143 Å²	143	73.8 Å²	73.8	67%	0.668	40%	0.396	S	S	*	.	H	α-helix	trans	-61	-33.1	-179.3	-63.4	-169.9	138	0	0	112.9	L261 K262 E263	E259-L261 PolarHBondContact O-N 2.89Å; E259-K262 PolarHBondContact O-N 2.8Å; E259-E263 WeakPolarHBondContact O-CB 3.39Å; E259-E263 PolarHBondContact O-N 3.09Å
260	R	62.5	Low	64.3	Low	110 Å²	110	72.4 Å²	72.4	42%	0.415	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-25.9	175.1	-65.7	179.1	176.3	169.9	1.7	113	N208 A256 G258 A264	N208-R260 VanDerWaalsContact CG-NH2 3.27Å; N208-R260 PolarHBondContact ND2-NH2 3.3Å; N208-R260 PolarHBondContact OD1-NH2 3.22Å; A256-R260 HydrophobicContact CB-CB 3.99Å; G258-R260 PolarHBondContact O-N 2.75Å; R260-A264 WeakPolarHBondContact O-CB 3.44Å; R260-A264 PolarHBondContact O-N 2.82Å
261	L	64.4	Low	65.5	Low	79 Å²	79	69.6 Å²	69.6	41%	0.414	38%	0.379	S	S	.	.	H	α-helix	trans	-71.4	-50.1	173.8	-176.2	63.8	0	0	0	110.1	G258 E259 E263 A264 T265	G258-L261 WeakPolarHBondContact O-CB 3.36Å; G258-L261 PolarHBondContact O-N 2.89Å; E259-L261 PolarHBondContact O-N 2.89Å; L261-E263 VanDerWaalsContact C-N 3.25Å; L261-E263 PolarHBondContact O-N 2.88Å; L261-A264 PolarHBondContact O-N 2.74Å; L261-A264 VanDerWaalsContact O-N 3.08Å; L261-T265 PolarHBondContact O-N 2.82Å; L261-T265 PolarHBondContact O-OG1 3Å
262	K	66.8	Low	66.8	Low	157 Å²	157	69.7 Å²	69.7	68%	0.683	39%	0.387	S	S	*	.	H	α-helix	trans	-58	-38.6	176.7	-63.3	-177.7	179.3	178.4	0	112.4	E259 K266	E259-K262 PolarHBondContact O-N 2.8Å; K262-K266 PolarHBondContact O-N 2.91Å
263	E	65	Low	68.4	Low	12 Å²	12	63.7 Å²	63.7	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-51.8	172.9	-171.8	-164.9	158.4	0	0	111.2	Y147 Q148 R213 E259 L261 T265 K266 I267	Y147-E263 HydrophobicContact CE2-CG 4.12Å; Y147-E263 PolarHBondContact OH-OE1 2.92Å; Q148-E263 HydrophobicContact CG-CG 4.48Å; R213-E263 WeakPolarHBondContact CD-OE1 3.38Å; R213-E263 IonicContact CZ-OE1 2.97Å; R213-E263 IonicContact NE-OE1 2.94Å; R213-E263 IonicContact NH1-OE1 2.78Å; R213-E263 PolarHBondContact NH1-OE1 2.7Å; R213-E263 IonicContact NH1-OE2 3.58Å; R213-E263 PolarHBondContact NH1-OE2 2.74Å; E259-E263 WeakPolarHBondContact O-CB 3.39Å; E259-E263 PolarHBondContact O-N 3.09Å; L261-E263 VanDerWaalsContact C-N 3.25Å; L261-E263 PolarHBondContact O-N 2.88Å; E263-T265 VanDerWaalsContact C-N 3.3Å; E263-T265 PolarHBondContact O-N 2.8Å; E263-K266 PolarHBondContact O-N 3.26Å; E263-K266 VanDerWaalsContact O-N 3.09Å; E263-I267 HydrophobicContact CG-CD1 4.01Å; E263-I267 VanDerWaalsContact O-CG1 3.3Å; E263-I267 WeakPolarHBondContact O-CG1 3.45Å; E263-I267 PolarHBondContact O-N 3.42Å
264	A	63.8	Low	70.1	Confident	14 Å²	14	60.5 Å²	60.5	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-31.8	177.3	0	0	0	0	0	113.5	Q251 R260 L261 N268	Q251-A264 HydrophobicContact CG-CB 4Å; Q251-A264 PolarHBondContact NE2-O 2.96Å; Q251-A264 VanDerWaalsContact NE2-O 3.09Å; R260-A264 WeakPolarHBondContact O-CB 3.44Å; R260-A264 PolarHBondContact O-N 2.82Å; L261-A264 PolarHBondContact O-N 2.74Å; L261-A264 VanDerWaalsContact O-N 3.08Å; A264-N268 PolarHBondContact O-N 3.18Å; A264-N268 VanDerWaalsContact O-N 3.14Å; A264-N268 PolarHBondContact O-OD1 3.1Å
265	T	68	Low	71.6	Confident	75 Å²	75	57.7 Å²	57.7	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-46.6	170.4	-46.3	0	0	0	0	111.5	L261 E263 L269	L261-T265 PolarHBondContact O-N 2.82Å; L261-T265 PolarHBondContact O-OG1 3Å; E263-T265 VanDerWaalsContact C-N 3.3Å; E263-T265 PolarHBondContact O-N 2.8Å; T265-L269 PolarHBondContact O-N 3.26Å
266	K	69	Low	73.2	Confident	79 Å²	79	58.6 Å²	58.6	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-35.9	178.7	-75	-174.2	163.4	-159.9	0	113.6	Q148 K262 E263 L269	Q148-K266 HydrophobicContact CB-CD 3.67Å; Q148-K266 HydrophobicContact CG-CD 4.17Å; Q148-K266 PolarHBondContact O-NZ 2.99Å; K262-K266 PolarHBondContact O-N 2.91Å; E263-K266 PolarHBondContact O-N 3.26Å; E263-K266 VanDerWaalsContact O-N 3.09Å; K266-L269 WeakPolarHBondContact O-CB 3.45Å; K266-L269 PolarHBondContact O-N 2.95Å
267	I	67.6	Low	74.9	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-49.3	176.7	-65.2	159.7	0	0	0	109.3	R213 A246 E263 L269 S270	R213-I267 HydrophobicContact CB-CD1 3.51Å; R213-I267 HydrophobicContact CB-CG1 4.43Å; R213-I267 HydrophobicContact CG-CD1 3.79Å; R213-I267 WeakPolarHBondContact O-CG1 3.47Å; A246-I267 HydrophobicContact CB-CG2 3.75Å; E263-I267 HydrophobicContact CG-CD1 4.01Å; E263-I267 VanDerWaalsContact O-CG1 3.3Å; E263-I267 WeakPolarHBondContact O-CG1 3.45Å; E263-I267 PolarHBondContact O-N 3.42Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 2.95Å; I267-S270 PolarHBondContact O-N 2.88Å; I267-S270 PolarHBondContact O-OG 3.03Å
268	N	70.8	Confident	76.6	Confident	35 Å²	35	49.6 Å²	49.6	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-32.4	-179.6	-71.9	20.6	0	0	0	112.1	E249 A264 S270 L271 S272	E249-N268 PolarHBondContact O-ND2 3.49Å; A264-N268 PolarHBondContact O-N 3.18Å; A264-N268 VanDerWaalsContact O-N 3.14Å; A264-N268 PolarHBondContact O-OD1 3.1Å; N268-S270 VanDerWaalsContact C-N 3.3Å; N268-S270 PolarHBondContact O-N 2.93Å; N268-L271 PolarHBondContact O-N 2.91Å; N268-L271 VanDerWaalsContact O-N 3.14Å; N268-S272 WeakPolarHBondContact O-CB 3.47Å; N268-S272 PolarHBondContact O-N 2.8Å; N268-S272 PolarHBondContact O-OG 3.43Å
269	L	81	Confident	77.5	Confident	90 Å²	90	48.2 Å²	48.2	47%	0.471	25%	0.247	S	C	.	.	H	α-helix	trans	-50.3	-49.1	174.4	179.8	65.6	0	0	0	112.3	E149 T265 K266 I267 L271 S272 A273	E149-L269 HydrophobicContact CG-CD2 4.36Å; T265-L269 PolarHBondContact O-N 3.26Å; K266-L269 WeakPolarHBondContact O-CB 3.45Å; K266-L269 PolarHBondContact O-N 2.95Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 2.95Å; L269-L271 PolarHBondContact O-N 3.05Å; L269-S272 PolarHBondContact O-N 3.46Å; L269-A273 VanDerWaalsContact O-CB 3.32Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 3.47Å
270	S	85.1	Confident	78.8	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-35.5	-179.3	65.8	0	0	0	0	114.1	E149 H215 I267 N268 L274	E149-S270 WeakPolarHBondContact OE1-CB 3.49Å; H215-S270 PolarHBondContact NE2-OG 3.3Å; I267-S270 PolarHBondContact O-N 2.88Å; I267-S270 PolarHBondContact O-OG 3.03Å; N268-S270 VanDerWaalsContact C-N 3.3Å; N268-S270 PolarHBondContact O-N 2.93Å; S270-L274 PolarHBondContact O-N 3.13Å; S270-L274 VanDerWaalsContact O-N 3.15Å
271	L	86.1	Confident	80.1	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-80.2	-32.4	177.3	-69.3	179.2	0	0	0	112.5	Y94 L245 A246 G247 N268 L269 L274 G275 L296	Y94-L271 HydrophobicContact CD2-CD2 4.44Å; Y94-L271 HydrophobicContact CE2-CD2 4.21Å; L245-L271 HydrophobicContact CB-CD2 4.44Å; L245-L271 HydrophobicContact CD1-CD2 4.32Å; A246-L271 HydrophobicContact CB-CD1 4.37Å; G247-L271 WeakPolarHBondContact O-CD1 3.49Å; N268-L271 PolarHBondContact O-N 2.91Å; N268-L271 VanDerWaalsContact O-N 3.14Å; L269-L271 PolarHBondContact O-N 3.05Å; L271-L274 HydrophobicContact CD2-CD2 4.42Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.22Å; L271-G275 PolarHBondContact O-N 3.22Å; L271-L296 HydrophobicContact CD2-CD2 4.47Å
272	S	85.3	Confident	81.2	Confident	67 Å²	67	37.3 Å²	37.3	47%	0.469	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-43.8	170.4	-68.8	0	0	0	0	111.2	N268 L269 L274 G275 N276	N268-S272 WeakPolarHBondContact O-CB 3.47Å; N268-S272 PolarHBondContact O-N 2.8Å; N268-S272 PolarHBondContact O-OG 3.43Å; L269-S272 PolarHBondContact O-N 3.46Å; S272-L274 VanDerWaalsContact C-N 3.31Å; S272-L274 PolarHBondContact O-N 2.97Å; S272-G275 WeakPolarHBondContact O-CA 3.38Å; S272-G275 PolarHBondContact O-N 2.91Å; S272-N276 VanDerWaalsContact O-CG 3.29Å; S272-N276 PolarHBondContact O-N 3.45Å; S272-N276 PolarHBondContact O-OD1 3.25Å
273	A	89.6	Confident	81.9	Confident	2 Å²	2	35 Å²	35	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-44	172.3	0	0	0	0	0	111.4	L269 G275 N276 V277 D293 T297	L269-A273 VanDerWaalsContact O-CB 3.32Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 3.47Å; A273-G275 VanDerWaalsContact C-N 3.31Å; A273-G275 PolarHBondContact O-N 3.5Å; A273-N276 PolarHBondContact O-N 3.39Å; A273-V277 WeakPolarHBondContact O-CG2 3.43Å; A273-V277 PolarHBondContact O-N 2.87Å; A273-D293 HydrophobicContact CB-CB 3.75Å; A273-T297 HydrophobicContact CB-CG2 4.14Å
274	L	91.3	Very high	82.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-41.8	173.7	-163.1	72	0	0	0	111.5	L245 S270 L271 S272 V277 I278 L296 T297 L300 L304 Y332	L245-L274 HydrophobicContact CD1-CD2 3.99Å; S270-L274 PolarHBondContact O-N 3.13Å; S270-L274 VanDerWaalsContact O-N 3.15Å; L271-L274 HydrophobicContact CD2-CD2 4.42Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.22Å; S272-L274 VanDerWaalsContact C-N 3.31Å; S272-L274 PolarHBondContact O-N 2.97Å; L274-V277 PolarHBondContact O-N 2.87Å; L274-I278 WeakPolarHBondContact O-CG1 3.23Å; L274-I278 PolarHBondContact O-N 3.4Å; L274-L296 HydrophobicContact CD2-CD2 4.4Å; L274-T297 HydrophobicContact CB-CG2 4.07Å; L274-T297 HydrophobicContact CD1-CG2 3.82Å; L274-L300 HydrophobicContact CD1-CD1 4.34Å; L274-L304 HydrophobicContact CD1-CD1 3.59Å; L274-Y332 VanDerWaalsContact CB-OH 3.31Å; L274-Y332 WeakPolarHBondContact CB-OH 3.43Å; L274-Y332 WeakPolarHBondContact CD2-OH 3.4Å; L274-Y332 WeakPolarHBondContact CG-OH 3.37Å; L274-Y332 PolarHBondContact O-OH 3.14Å
275	G	89.1	Confident	82.8	Confident	11 Å²	11	48.1 Å²	48.1	11%	0.113	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-38	175.8	0	0	0	0	0	114.3	L271 S272 A273 I278 S279 Y332	L271-G275 PolarHBondContact O-N 3.22Å; S272-G275 WeakPolarHBondContact O-CA 3.38Å; S272-G275 PolarHBondContact O-N 2.91Å; A273-G275 VanDerWaalsContact C-N 3.31Å; A273-G275 PolarHBondContact O-N 3.5Å; G275-I278 PolarHBondContact O-N 2.95Å; G275-S279 WeakPolarHBondContact O-CB 3.24Å; G275-S279 PolarHBondContact O-N 3.39Å; G275-S279 PolarHBondContact O-OG 3.04Å; G275-Y332 VanDerWaalsContact CA-CE2 3.4Å; G275-Y332 PolarHBondContact N-OH 3.03Å; G275-Y332 VanDerWaalsContact N-OH 3.13Å
276	N	89.1	Confident	83.1	Confident	85 Å²	85	46.7 Å²	46.7	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-45.2	174.8	-67.4	-9.3	0	0	0	110.8	S272 A273 S279 A280 P290	S272-N276 VanDerWaalsContact O-CG 3.29Å; S272-N276 PolarHBondContact O-N 3.45Å; S272-N276 PolarHBondContact O-OD1 3.25Å; A273-N276 PolarHBondContact O-N 3.39Å; N276-S279 PolarHBondContact O-N 3.03Å; N276-A280 VanDerWaalsContact O-CB 3.25Å; N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 3.45Å; N276-P290 HydrophobicContact CB-CG 4.16Å
277	V	92.5	Very high	83.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-48	174.7	164.4	0	0	0	0	111.4	A273 L274 L281 I289 P290 Y291 T297 L304	A273-V277 WeakPolarHBondContact O-CG2 3.43Å; A273-V277 PolarHBondContact O-N 2.87Å; L274-V277 PolarHBondContact O-N 2.87Å; V277-L281 HydrophobicContact CG1-CD1 3.85Å; V277-L281 WeakPolarHBondContact O-CB 3.32Å; V277-L281 VanDerWaalsContact O-CG 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.36Å; V277-L281 PolarHBondContact O-N 3.5Å; V277-I289 HydrophobicContact CB-CG2 4.32Å; V277-I289 HydrophobicContact CG1-CG2 3.94Å; V277-I289 HydrophobicContact CG2-CG2 4.22Å; V277-P290 HydrophobicContact CG2-CG 4.13Å; V277-P290 WeakPolarHBondContact CG2-O 3.39Å; V277-Y291 HydrophobicContact CG1-CD1 3.8Å; V277-Y291 HydrophobicContact CG1-CE1 3.47Å; V277-Y291 VanDerWaalsContact CG1-CE1 3.47Å; V277-Y291 HydrophobicContact CG2-CD1 4.05Å; V277-Y291 HydrophobicContact CG2-CE1 4.49Å; V277-T297 HydrophobicContact CB-CG2 4.39Å; V277-T297 HydrophobicContact CG2-CG2 3.86Å; V277-L304 HydrophobicContact CG1-CB 4.49Å; V277-L304 HydrophobicContact CG1-CD1 4.22Å
278	I	91.1	Very high	84.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-44.7	178.6	-70.2	-175.1	0	0	0	111.5	L274 G275 L281 V282 Y332 R335 A336 I339	L274-I278 WeakPolarHBondContact O-CG1 3.23Å; L274-I278 PolarHBondContact O-N 3.4Å; G275-I278 PolarHBondContact O-N 2.95Å; I278-L281 PolarHBondContact O-N 3.26Å; I278-V282 VanDerWaalsContact O-CG2 3.24Å; I278-V282 WeakPolarHBondContact O-CG2 3.05Å; I278-V282 PolarHBondContact O-N 2.95Å; I278-Y332 HydrophobicContact CD1-CD1 4.26Å; I278-Y332 HydrophobicContact CD1-CE1 3.41Å; I278-Y332 VanDerWaalsContact CD1-CE1 3.41Å; I278-R335 HydrophobicContact CG2-CB 3.92Å; I278-A336 HydrophobicContact CD1-CB 4.12Å; I278-A336 HydrophobicContact CG2-CB 4.34Å; I278-I339 HydrophobicContact CB-CD1 4.18Å; I278-I339 HydrophobicContact CD1-CD1 4.29Å; I278-I339 HydrophobicContact CG1-CD1 3.73Å; I278-I339 HydrophobicContact CG2-CD1 4.03Å
279	S	88.1	Confident	85.4	Confident	24 Å²	24	55.1 Å²	55.1	17%	0.168	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-44.3	-179	-53.7	0	0	0	0	111	G275 N276 L281 V282 D283 R335	G275-S279 WeakPolarHBondContact O-CB 3.24Å; G275-S279 PolarHBondContact O-N 3.39Å; G275-S279 PolarHBondContact O-OG 3.04Å; N276-S279 PolarHBondContact O-N 3.03Å; S279-L281 PolarHBondContact O-N 3.48Å; S279-V282 PolarHBondContact O-N 3.01Å; S279-D283 WeakPolarHBondContact O-CB 3.41Å; S279-D283 PolarHBondContact O-N 3.2Å; S279-R335 PolarHBondContact OG-NH1 3.15Å
280	A	89.4	Confident	85.9	Confident	15 Å²	15	52 Å²	52	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-41.1	174.3	0	0	0	0	0	113.2	N276 V282 S286 I289	N276-A280 VanDerWaalsContact O-CB 3.25Å; N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 3.45Å; A280-V282 VanDerWaalsContact C-N 3.29Å; A280-V282 PolarHBondContact O-N 3.46Å; A280-S286 WeakPolarHBondContact CA-OG 3.43Å; A280-S286 WeakPolarHBondContact CB-OG 3.31Å; A280-S286 PolarHBondContact O-OG 3Å; A280-I289 HydrophobicContact CB-CD1 3.72Å
281	L	89.2	Confident	86.3	Confident	42 Å²	42	53.4 Å²	53.4	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-29.2	177.4	-79.9	168.3	0	0	0	113.6	V277 I278 S279 I289 L304 I339	V277-L281 HydrophobicContact CG1-CD1 3.85Å; V277-L281 WeakPolarHBondContact O-CB 3.32Å; V277-L281 VanDerWaalsContact O-CG 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.36Å; V277-L281 PolarHBondContact O-N 3.5Å; I278-L281 PolarHBondContact O-N 3.26Å; S279-L281 PolarHBondContact O-N 3.48Å; L281-I289 HydrophobicContact CD2-CD1 4.14Å; L281-I289 HydrophobicContact CD2-CG1 4.07Å; L281-I289 HydrophobicContact CD2-CG2 4.45Å; L281-I289 HydrophobicContact CG-CD1 4.26Å; L281-I289 HydrophobicContact CG-CG1 4.44Å; L281-I289 HydrophobicContact CG-CG2 4.09Å; L281-L304 HydrophobicContact CD1-CB 3.93Å; L281-I339 HydrophobicContact CB-CG1 4.13Å; L281-I339 HydrophobicContact CB-CG2 4.47Å; L281-I339 HydrophobicContact CD1-CD1 4.3Å; L281-I339 HydrophobicContact CD1-CG1 4.46Å; L281-I339 HydrophobicContact CD1-CG2 4.02Å
282	V	87.8	Confident	86.5	Confident	46 Å²	46	60.5 Å²	60.5	28%	0.279	33%	0.331	S	S	.	.	H	α-helix	trans	-91.4	-37.8	-176.4	175.5	0	0	0	0	111.9	I278 S279 A280 G284 R335 N338 I339	I278-V282 VanDerWaalsContact O-CG2 3.24Å; I278-V282 WeakPolarHBondContact O-CG2 3.05Å; I278-V282 PolarHBondContact O-N 2.95Å; S279-V282 PolarHBondContact O-N 3.01Å; A280-V282 VanDerWaalsContact C-N 3.29Å; A280-V282 PolarHBondContact O-N 3.46Å; V282-G284 PolarHBondContact O-N 2.87Å; V282-R335 VanDerWaalsContact CG2-O 3.24Å; V282-R335 WeakPolarHBondContact CG2-O 3.42Å; V282-N338 HydrophobicContact CG1-CB 3.86Å; V282-N338 HydrophobicContact CG2-CB 4.03Å; V282-I339 HydrophobicContact CG2-CG1 3.88Å
283	D	81.5	Confident	86.6	Confident	108 Å²	108	61.3 Å²	61.3	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-64.4	-28.7	-179.4	-77.2	-12.1	0	0	0	112.8	S279 R285	S279-D283 WeakPolarHBondContact O-CB 3.41Å; S279-D283 PolarHBondContact O-N 3.2Å; D283-R285 PolarHBondContact O-N 3.31Å
284	G	72.3	Confident	86.7	Confident	69 Å²	69	61.3 Å²	61.3	71%	0.711	33%	0.33	S	S	*	.	S	Bend	trans	64.8	0.3	177.6	0	0	0	0	0	115.4	V282	V282-G284 PolarHBondContact O-N 2.87Å
285	R	75.6	Confident	86.7	Confident	234 Å²	234	64.8 Å²	64.8	88%	0.883	35%	0.345	S	S	*	.			trans	-89.3	-28.2	178.4	-65.9	174	-173.6	176	3.3	112.8	D283 S287	D283-R285 PolarHBondContact O-N 3.31Å; R285-S287 PolarHBondContact O-N 3.43Å
286	S	73.8	Confident	86.9	Confident	45 Å²	45	64.2 Å²	64.2	32%	0.315	34%	0.34	S	S	.	.			trans	-80.1	113.8	179.5	45.4	0	0	0	0	111.1	A280 H288	A280-S286 WeakPolarHBondContact CA-OG 3.43Å; A280-S286 WeakPolarHBondContact CB-OG 3.31Å; A280-S286 PolarHBondContact O-OG 3Å; S286-H288 VanDerWaalsContact C-N 3.26Å; S286-H288 PolarHBondContact O-N 3.34Å
287	S	78	Confident	87.1	Confident	132 Å²	132	60.2 Å²	60.2	92%	0.923	32%	0.319	S	S	*	.	S	Bend	trans	-70.6	-22.5	173.8	-172.6	0	0	0	0	113.3	R285	R285-S287 PolarHBondContact O-N 3.43Å
288	H	86.8	Confident	87.1	Confident	141 Å²	141	62.2 Å²	62.2	65%	0.653	33%	0.326	S	S	*	.	S	Bend	trans	-117.6	129.3	178.8	178.6	-92.7	0	0	0	109.3	S286	S286-H288 VanDerWaalsContact C-N 3.26Å; S286-H288 PolarHBondContact O-N 3.34Å
289	I	91	Very high	87.2	Confident	32 Å²	32	63.6 Å²	63.6	16%	0.164	33%	0.333	C	S	.	.			trans	-103.4	127.1	177.5	-51.7	-58.8	0	0	0	108.3	V277 A280 L281 Y291	V277-I289 HydrophobicContact CB-CG2 4.32Å; V277-I289 HydrophobicContact CG1-CG2 3.94Å; V277-I289 HydrophobicContact CG2-CG2 4.22Å; A280-I289 HydrophobicContact CB-CD1 3.72Å; L281-I289 HydrophobicContact CD2-CD1 4.14Å; L281-I289 HydrophobicContact CD2-CG1 4.07Å; L281-I289 HydrophobicContact CD2-CG2 4.45Å; L281-I289 HydrophobicContact CG-CD1 4.26Å; L281-I289 HydrophobicContact CG-CG1 4.44Å; L281-I289 HydrophobicContact CG-CG2 4.09Å; I289-Y291 HydrophobicContact CB-CD2 4.03Å; I289-Y291 HydrophobicContact CB-CE2 3.54Å; I289-Y291 HydrophobicContact CG1-CE2 4.32Å; I289-Y291 HydrophobicContact CG2-CD1 4.32Å; I289-Y291 HydrophobicContact CG2-CD2 4.03Å; I289-Y291 HydrophobicContact CG2-CE1 3.86Å; I289-Y291 HydrophobicContact CG2-CE2 3.56Å; I289-Y291 HydrophobicContact CG2-CG 4.38Å; I289-Y291 VanDerWaalsContact CG2-CZ 3.43Å; I289-Y291 PolarHBondContact O-N 2.94Å
290	P	91.7	Very high	87.4	Confident	23 Å²	23	62.6 Å²	62.6	15%	0.149	33%	0.326	C	S	.	.			trans	-80.7	54.9	-169.1	33.9	-37.7	0	0	0	113.5	N276 V277 R292 D293	N276-P290 HydrophobicContact CB-CG 4.16Å; V277-P290 HydrophobicContact CG2-CG 4.13Å; V277-P290 WeakPolarHBondContact CG2-O 3.39Å; P290-R292 PolarHBondContact O-N 3.14Å; P290-R292 VanDerWaalsContact O-N 3.16Å; P290-D293 PolarHBondContact O-N 3.45Å
291	Y	92.6	Very high	87.5	Confident	33 Å²	33	64.2 Å²	64.2	13%	0.129	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.1	178.3	-61.8	-71	0	0	0	113.2	V277 I289 D293 T297 R298 Q301 L304	V277-Y291 HydrophobicContact CG1-CD1 3.8Å; V277-Y291 HydrophobicContact CG1-CE1 3.47Å; V277-Y291 VanDerWaalsContact CG1-CE1 3.47Å; V277-Y291 HydrophobicContact CG2-CD1 4.05Å; V277-Y291 HydrophobicContact CG2-CE1 4.49Å; I289-Y291 HydrophobicContact CB-CD2 4.03Å; I289-Y291 HydrophobicContact CB-CE2 3.54Å; I289-Y291 HydrophobicContact CG1-CE2 4.32Å; I289-Y291 HydrophobicContact CG2-CD1 4.32Å; I289-Y291 HydrophobicContact CG2-CD2 4.03Å; I289-Y291 HydrophobicContact CG2-CE1 3.86Å; I289-Y291 HydrophobicContact CG2-CE2 3.56Å; I289-Y291 HydrophobicContact CG2-CG 4.38Å; I289-Y291 VanDerWaalsContact CG2-CZ 3.43Å; I289-Y291 PolarHBondContact O-N 2.94Å; Y291-D293 VanDerWaalsContact C-N 3.33Å; Y291-D293 PolarHBondContact O-N 3.5Å; Y291-T297 CarbonylContact O-C 3.47Å; Y291-T297 VanDerWaalsContact O-CB 3.29Å; Y291-T297 WeakPolarHBondContact O-CB 3.14Å; Y291-T297 PolarHBondContact O-OG1 2.88Å; Y291-R298 WeakPolarHBondContact O-CG 3.37Å; Y291-R298 PolarHBondContact O-N 3.27Å; Y291-R298 VanDerWaalsContact O-N 3.14Å; Y291-Q301 HydrophobicContact CD1-CB 4.03Å; Y291-Q301 HydrophobicContact CD1-CG 3.97Å; Y291-Q301 HydrophobicContact CD2-CG 3.78Å; Y291-Q301 HydrophobicContact CE1-CB 4.44Å; Y291-Q301 HydrophobicContact CE1-CG 4.21Å; Y291-Q301 HydrophobicContact CE2-CG 4Å; Y291-Q301 HydrophobicContact CG-CB 4.16Å; Y291-Q301 HydrophobicContact CG-CG 3.77Å; Y291-L304 PolarHBondContact OH-O 2.84Å
292	R	90.2	Very high	87.6	Confident	161 Å²	161	65 Å²	65	61%	0.608	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-75.7	-16.1	-175.3	-68.2	-173.9	173.3	-162.5	-3.3	114.5	E167 P290 S294	E167-R292 IonicContact OE2-NH2 3.52Å; P290-R292 PolarHBondContact O-N 3.14Å; P290-R292 VanDerWaalsContact O-N 3.16Å; R292-S294 PolarHBondContact O-N 3Å; R292-S294 VanDerWaalsContact O-N 3.11Å
293	D	88.1	Confident	87.8	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.444	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19.1	-176.4	-68.7	20.2	0	0	0	114	A273 P290 Y291	A273-D293 HydrophobicContact CB-CB 3.75Å; P290-D293 PolarHBondContact O-N 3.45Å; Y291-D293 VanDerWaalsContact C-N 3.33Å; Y291-D293 PolarHBondContact O-N 3.5Å
294	S	91.9	Very high	88.3	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	30%	0.296	C	S	.	.			trans	-147.9	155.8	170.3	75.5	0	0	0	0	113.1	E149 R292 L296 T297 R298	E149-S294 WeakPolarHBondContact OE2-CA 3.13Å; E149-S294 WeakPolarHBondContact OE2-CB 3.44Å; R292-S294 PolarHBondContact O-N 3Å; R292-S294 VanDerWaalsContact O-N 3.11Å; S294-L296 PolarHBondContact O-N 2.78Å; S294-T297 PolarHBondContact N-OG1 2.76Å; S294-T297 PolarHBondContact O-N 3.19Å; S294-T297 PolarHBondContact O-OG1 3.17Å; S294-T297 PolarHBondContact OG-N 3.01Å; S294-T297 PolarHBondContact OG-OG1 3.17Å; S294-R298 WeakPolarHBondContact O-CG 3.47Å; S294-R298 PolarHBondContact O-N 3.17Å; S294-R298 VanDerWaalsContact O-N 3.14Å
295	K	91.6	Very high	89	Confident	73 Å²	73	55.7 Å²	55.7	32%	0.317	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-33	172.2	-56.9	-62.3	179.4	177.9	0	111.5	I146 E149 I151 L165 L299	I146-K295 HydrophobicContact CG2-CB 4.4Å; E149-K295 WeakPolarHBondContact O-CG 3.22Å; E149-K295 PolarHBondContact OE2-N 2.94Å; I151-K295 HydrophobicContact CD1-CB 4.43Å; I151-K295 HydrophobicContact CG1-CB 4.48Å; L165-K295 HydrophobicContact CD1-CB 4.07Å; L165-K295 HydrophobicContact CD1-CD 3.76Å; L165-K295 HydrophobicContact CD1-CG 4.48Å; L165-K295 HydrophobicContact CG-CD 4.28Å; K295-L299 PolarHBondContact O-N 3.34Å; K295-L299 VanDerWaalsContact O-N 3.1Å
296	L	92.8	Very high	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-51.6	176.1	177.5	67	0	0	0	111.6	I146 H215 I217 L245 L271 L274 S294 R298 L299 L300	I146-L296 HydrophobicContact CD1-CB 4.05Å; I146-L296 HydrophobicContact CD1-CD1 4.05Å; H215-L296 HydrophobicContact CB-CD1 4.27Å; I217-L296 HydrophobicContact CD1-CD1 4.26Å; L245-L296 HydrophobicContact CD2-CD1 3.87Å; L245-L296 HydrophobicContact CD2-CD2 3.87Å; L245-L296 HydrophobicContact CD2-CG 4.49Å; L271-L296 HydrophobicContact CD2-CD2 4.47Å; L274-L296 HydrophobicContact CD2-CD2 4.4Å; S294-L296 PolarHBondContact O-N 2.78Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.16Å; L296-L299 PolarHBondContact O-N 3.35Å; L296-L300 HydrophobicContact CD1-CD1 3.73Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.14Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.1Å
297	T	93.4	Very high	90.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-30.5	-179.5	44.2	0	0	0	0	112.9	A273 L274 V277 Y291 S294 L300 Q301	A273-T297 HydrophobicContact CB-CG2 4.14Å; L274-T297 HydrophobicContact CB-CG2 4.07Å; L274-T297 HydrophobicContact CD1-CG2 3.82Å; V277-T297 HydrophobicContact CB-CG2 4.39Å; V277-T297 HydrophobicContact CG2-CG2 3.86Å; Y291-T297 CarbonylContact O-C 3.47Å; Y291-T297 VanDerWaalsContact O-CB 3.29Å; Y291-T297 WeakPolarHBondContact O-CB 3.14Å; Y291-T297 PolarHBondContact O-OG1 2.88Å; S294-T297 PolarHBondContact N-OG1 2.76Å; S294-T297 PolarHBondContact O-N 3.19Å; S294-T297 PolarHBondContact O-OG1 3.17Å; S294-T297 PolarHBondContact OG-N 3.01Å; S294-T297 PolarHBondContact OG-OG1 3.17Å; T297-L300 CarbonylContact O-C 3.54Å; T297-Q301 PolarHBondContact O-N 3.42Å; T297-Q301 VanDerWaalsContact O-N 3.08Å
298	R	92.8	Very high	91.3	Very high	42 Å²	42	38 Å²	38	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-42.1	170.7	-68.8	-174.8	69.1	174.5	-2.3	112.3	L165 E167 V173 Y291 S294 L296 L300 Q301	L165-R298 HydrophobicContact CD1-CB 3.71Å; L165-R298 HydrophobicContact CD1-CG 4.49Å; E167-R298 IonicContact OE2-NH2 3.99Å; V173-R298 HydrophobicContact CG1-CB 4.37Å; Y291-R298 WeakPolarHBondContact O-CG 3.37Å; Y291-R298 PolarHBondContact O-N 3.27Å; Y291-R298 VanDerWaalsContact O-N 3.14Å; S294-R298 WeakPolarHBondContact O-CG 3.47Å; S294-R298 PolarHBondContact O-N 3.17Å; S294-R298 VanDerWaalsContact O-N 3.14Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.16Å; R298-L300 VanDerWaalsContact C-N 3.35Å; R298-Q301 WeakPolarHBondContact O-CB 3.48Å; R298-Q301 PolarHBondContact O-N 3.11Å
299	L	92.6	Very high	91.7	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.157	17%	0.169	C	C	.	.	H	α-helix	trans	-70.9	-29.9	177.6	-80	167.6	0	0	0	113.2	I146 I151 L165 V175 I217 K295 L296	I146-L299 HydrophobicContact CD1-CD1 3.81Å; I151-L299 HydrophobicContact CD1-CD1 4.05Å; L165-L299 HydrophobicContact CD1-CG 4.31Å; L165-L299 HydrophobicContact CD2-CD1 4.07Å; L165-L299 HydrophobicContact CD2-CD2 3.62Å; L165-L299 HydrophobicContact CD2-CG 3.72Å; V175-L299 HydrophobicContact CG2-CD1 4.4Å; V175-L299 HydrophobicContact CG2-CD2 3.79Å; I217-L299 HydrophobicContact CD1-CD1 4.39Å; K295-L299 PolarHBondContact O-N 3.34Å; K295-L299 VanDerWaalsContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.35Å
300	L	92.6	Very high	91.9	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	11.2	177.7	-61.2	-178.4	0	0	0	113.5	T90 V243 L274 L296 T297 R298 D302 S303 L304	T90-L300 HydrophobicContact CG2-CD2 4.24Å; V243-L300 HydrophobicContact CG2-CD2 4.07Å; L274-L300 HydrophobicContact CD1-CD1 4.34Å; L296-L300 HydrophobicContact CD1-CD1 3.73Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.14Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.1Å; T297-L300 CarbonylContact O-C 3.54Å; R298-L300 VanDerWaalsContact C-N 3.35Å; L300-D302 PolarHBondContact O-N 2.71Å; L300-S303 WeakPolarHBondContact O-CA 3.3Å; L300-S303 VanDerWaalsContact O-CB 3.27Å; L300-S303 WeakPolarHBondContact O-CB 3.45Å; L300-S303 PolarHBondContact O-N 2.69Å; L300-L304 PolarHBondContact O-N 3.07Å; L300-L304 VanDerWaalsContact O-N 3.09Å
301	Q	92.2	Very high	92.2	Very high	48 Å²	48	32.3 Å²	32.3	22%	0.224	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.1	-179.4	-179.4	172.3	-47.7	0	0	112.3	Y291 T297 R298 S303 L304	Y291-Q301 HydrophobicContact CD1-CB 4.03Å; Y291-Q301 HydrophobicContact CD1-CG 3.97Å; Y291-Q301 HydrophobicContact CD2-CG 3.78Å; Y291-Q301 HydrophobicContact CE1-CB 4.44Å; Y291-Q301 HydrophobicContact CE1-CG 4.21Å; Y291-Q301 HydrophobicContact CE2-CG 4Å; Y291-Q301 HydrophobicContact CG-CB 4.16Å; Y291-Q301 HydrophobicContact CG-CG 3.77Å; T297-Q301 PolarHBondContact O-N 3.42Å; T297-Q301 VanDerWaalsContact O-N 3.08Å; R298-Q301 WeakPolarHBondContact O-CB 3.48Å; R298-Q301 PolarHBondContact O-N 3.11Å; Q301-S303 VanDerWaalsContact C-N 3.26Å; Q301-S303 PolarHBondContact O-N 2.89Å; Q301-L304 PolarHBondContact O-N 3.07Å
302	D	90.4	Very high	92.4	Very high	58 Å²	58	30.7 Å²	30.7	31%	0.31	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.3	174.8	-68.7	-48	0	0	0	112.9	L300 G306 N307 A308	L300-D302 PolarHBondContact O-N 2.71Å; D302-G306 CarbonylContact O-C 3.49Å; D302-G306 WeakPolarHBondContact O-CA 3.38Å; D302-N307 CarbonylContact O-C 3.6Å; D302-N307 PolarHBondContact O-N 2.82Å; D302-A308 WeakPolarHBondContact O-CB 2.93Å; D302-A308 PolarHBondContact O-N 3.43Å
303	S	92.9	Very high	92.7	Very high	2 Å²	2	23 Å²	23	1%	0.014	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.4	-179.2	-53.4	0	0	0	0	113.4	T90 L300 Q301 T310 N341	T90-S303 WeakPolarHBondContact CB-OG 3.07Å; T90-S303 PolarHBondContact OG1-OG 3.45Å; L300-S303 WeakPolarHBondContact O-CA 3.3Å; L300-S303 VanDerWaalsContact O-CB 3.27Å; L300-S303 WeakPolarHBondContact O-CB 3.45Å; L300-S303 PolarHBondContact O-N 2.69Å; Q301-S303 VanDerWaalsContact C-N 3.26Å; Q301-S303 PolarHBondContact O-N 2.89Å; S303-T310 WeakPolarHBondContact O-CB 2.88Å; S303-T310 PolarHBondContact O-OG1 3.26Å; S303-N341 PolarHBondContact O-ND2 2.89Å
304	L	92.1	Very high	93.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	-123.7	96.9	-175	-61.5	175.2	0	0	0	109	F92 L274 V277 L281 Y291 L300 Q301 G306 I339	F92-L304 HydrophobicContact CE1-CD2 4.24Å; F92-L304 HydrophobicContact CZ-CD2 4.4Å; L274-L304 HydrophobicContact CD1-CD1 3.59Å; V277-L304 HydrophobicContact CG1-CB 4.49Å; V277-L304 HydrophobicContact CG1-CD1 4.22Å; L281-L304 HydrophobicContact CD1-CB 3.93Å; Y291-L304 PolarHBondContact OH-O 2.84Å; L300-L304 PolarHBondContact O-N 3.07Å; L300-L304 VanDerWaalsContact O-N 3.09Å; Q301-L304 PolarHBondContact O-N 3.07Å; L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 PolarHBondContact O-N 2.85Å; L304-I339 HydrophobicContact CD2-CD1 4.14Å
305	G	86.9	Confident	93.4	Very high	24 Å²	24	19.1 Å²	19.1	25%	0.247	10%	0.1	C	C	.	.	S	Bend	trans	85.2	-6.4	-178.4	0	0	0	0	0	115.8	N341	G305-N341 WeakPolarHBondContact CA-OD1 3.42Å; G305-N341 PolarHBondContact N-OD1 2.87Å
306	G	89.8	Confident	93.5	Very high	20 Å²	20	15.7 Å²	15.7	21%	0.206	9%	0.085	C	C	.	.	S	Bend	trans	-103.6	-148.5	-177.5	0	0	0	0	0	115.4	D302 L304 A308 K342	D302-G306 CarbonylContact O-C 3.49Å; D302-G306 WeakPolarHBondContact O-CA 3.38Å; L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 PolarHBondContact O-N 2.85Å; G306-A308 PolarHBondContact O-N 3.48Å; G306-K342 PolarHBondContact O-N 3.36Å
307	N	91.3	Very high	93.5	Very high	20 Å²	20	15.7 Å²	15.7	11%	0.107	9%	0.085	C	C	.	.	S	Bend	trans	-89.8	76.7	178.7	178.8	30.5	0	0	0	112.1	N88 D302 P343 H344 N346	N88-N307 VanDerWaalsContact CB-O 3.25Å; N88-N307 WeakPolarHBondContact CB-O 3.45Å; N88-N307 PolarHBondContact ND2-ND2 2.96Å; N88-N307 PolarHBondContact ND2-O 2.9Å; D302-N307 CarbonylContact O-C 3.6Å; D302-N307 PolarHBondContact O-N 2.82Å; N307-P343 WeakPolarHBondContact OD1-CA 3.43Å; N307-H344 PolarHBondContact ND2-CE1 2.86Å; N307-H344 PolarHBondContact ND2-NE2 2.88Å; N307-H344 PolarHBondContact OD1-N 3.04Å; N307-H344 PolarHBondContact OD1-ND1 3.09Å; N307-H344 VanDerWaalsContact OD1-ND1 3.08Å; N307-H344 PolarHBondContact OD1-O 2.94Å; N307-N346 PolarHBondContact ND2-OD1 3.46Å
308	A	93	Very high	93.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	9%	0.086	C	C	.	.	S	Bend	trans	-159.4	154.4	165.4	0	0	0	0	0	112.3	N88 D302 G306 N341	N88-A308 HydrophobicContact CB-CB 3.86Å; N88-A308 CarbonylContact O-C 3.6Å; N88-A308 WeakPolarHBondContact O-CA 3.38Å; D302-A308 WeakPolarHBondContact O-CB 2.93Å; D302-A308 PolarHBondContact O-N 3.43Å; G306-A308 PolarHBondContact O-N 3.48Å; A308-N341 WeakPolarHBondContact O-CB 3.41Å; A308-N341 PolarHBondContact O-ND2 3.02Å
309	R	95.4	Very high	93.4	Very high	66 Å²	66	13.9 Å²	13.9	25%	0.249	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129	158.2	-72.2	-170.9	164.2	148	10.6	108.7	E8 L79 S82 N88 G89 T90 P343	E8-R309 IonicContact OE1-NE 2.82Å; E8-R309 IonicContact OE2-CZ 3.95Å; E8-R309 IonicContact OE2-NE 2.9Å; E8-R309 PolarHBondContact OE2-NE 3.32Å; E8-R309 IonicContact OE2-NH2 2.93Å; L79-R309 HydrophobicContact CD1-CB 4.37Å; L79-R309 WeakPolarHBondContact CD1-O 3.32Å; S82-R309 WeakPolarHBondContact OG-CD 3.48Å; S82-R309 PolarHBondContact OG-NH1 3.32Å; N88-R309 PolarHBondContact O-N 2.9Å; G89-R309 CarbonylContact C-O 3.59Å; G89-R309 VanDerWaalsContact CA-O 3.28Å; G89-R309 WeakPolarHBondContact CA-O 3.42Å; T90-R309 PolarHBondContact N-O 3.28Å; R309-P343 HydrophobicContact CG-CB 3.83Å; R309-P343 HydrophobicContact CG-CG 3.96Å
310	T	96.3	Very high	93.2	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.037	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.8	-171.7	-58.1	0	0	0	0	111.5	V10 K11 T90 F92 S303 N341	V10-T310 HydrophobicContact CG1-CG2 4.01Å; K11-T310 PolarHBondContact N-O 3.2Å; T90-T310 HydrophobicContact CG2-CG2 4.38Å; T90-T310 CarbonylContact O-C 3.58Å; T90-T310 WeakPolarHBondContact O-CA 3.13Å; F92-T310 HydrophobicContact CD1-CG2 3.96Å; F92-T310 HydrophobicContact CE1-CG2 3.63Å; S303-T310 WeakPolarHBondContact O-CB 2.88Å; S303-T310 PolarHBondContact O-OG1 3.26Å; T310-N341 PolarHBondContact OG1-ND2 3.3Å
311	V	97.3	Very high	92.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	171.3	172.8	0	0	0	0	109.2	K11 V13 T75 F76 L79 T90 I91 F92 V313	K11-V311 HydrophobicContact CB-CG2 4.06Å; K11-V311 CarbonylContact O-C 3.6Å; K11-V311 WeakPolarHBondContact O-CA 3.48Å; V13-V311 HydrophobicContact CG2-CG1 4.35Å; T75-V311 HydrophobicContact CG2-CG1 3.68Å; T75-V311 HydrophobicContact CG2-CG2 4.28Å; F76-V311 HydrophobicContact CD1-CG1 4.16Å; F76-V311 HydrophobicContact CE1-CG1 3.82Å; L79-V311 HydrophobicContact CD1-CB 4.13Å; L79-V311 HydrophobicContact CD1-CG2 3.57Å; T90-V311 PolarHBondContact O-N 3.25Å; I91-V311 WeakPolarHBondContact CA-O 3.39Å; F92-V311 PolarHBondContact N-O 3.38Å; V311-V313 HydrophobicContact CG1-CG2 4.37Å
312	M	96.9	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.4	166.5	178.6	179.5	176.3	0	0	109.7	K11 V12 V13 F92 Y94 A314 Y332 A333 A336	K11-M312 PolarHBondContact O-N 3.15Å; V12-M312 HydrophobicContact CG1-CB 4.47Å; V12-M312 HydrophobicContact CG1-SD 4.33Å; V12-M312 HydrophobicContact CG2-CB 4.15Å; V13-M312 PolarHBondContact N-O 3.06Å; F92-M312 HydrophobicContact CD2-CG 4.18Å; F92-M312 HydrophobicContact CE1-CB 3.9Å; F92-M312 HydrophobicContact CE1-CG 4.41Å; F92-M312 HydrophobicContact CE2-CB 3.9Å; F92-M312 HydrophobicContact CE2-CE 4.44Å; F92-M312 HydrophobicContact CE2-CG 3.48Å; F92-M312 VanDerWaalsContact CE2-CG 3.48Å; F92-M312 HydrophobicContact CE2-SD 3.96Å; F92-M312 HydrophobicContact CZ-CB 3.54Å; F92-M312 HydrophobicContact CZ-CG 3.62Å; F92-M312 HydrophobicContact CZ-SD 4.03Å; Y94-M312 HydrophobicContact CD1-CE 3.49Å; Y94-M312 VanDerWaalsContact CD1-CE 3.49Å; Y94-M312 HydrophobicContact CE1-CE 4.35Å; Y94-M312 HydrophobicContact CG-CE 3.76Å; M312-A314 HydrophobicContact CE-CB 4.16Å; M312-Y332 HydrophobicContact CE-CD1 3.75Å; M312-Y332 HydrophobicContact CE-CE1 4.21Å; M312-A333 HydrophobicContact CE-CB 3.94Å; M312-A333 HydrophobicContact SD-CB 4.28Å; M312-A336 HydrophobicContact SD-CB 3.6Å
313	V	97.3	Very high	92.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108	168.2	-172.7	0	0	0	0	109	V13 R15 F76 I91 F92 A93 Y94 T104 V311 N315	V13-V313 HydrophobicContact CG2-CB 4.33Å; V13-V313 HydrophobicContact CG2-CG1 4.29Å; V13-V313 HydrophobicContact CG2-CG2 3.96Å; V13-V313 WeakPolarHBondContact O-CA 3.43Å; R15-V313 HydrophobicContact CB-CG1 4.49Å; F76-V313 HydrophobicContact CE1-CG2 3.59Å; F76-V313 HydrophobicContact CZ-CG2 3.54Å; I91-V313 HydrophobicContact CG2-CG2 4.28Å; F92-V313 PolarHBondContact O-N 2.94Å; A93-V313 WeakPolarHBondContact CA-O 3.39Å; Y94-V313 PolarHBondContact N-O 3.24Å; T104-V313 HydrophobicContact CG2-CG1 4.14Å; V311-V313 HydrophobicContact CG1-CG2 4.37Å; V313-N315 PolarHBondContact O-N 2.76Å
314	A	96.9	Very high	92.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	107	173.1	0	0	0	0	0	110.1	V13 V14 R15 M312 T329 A333	V13-A314 PolarHBondContact O-N 3.09Å; V14-A314 CarbonylContact C-O 3.59Å; V14-A314 WeakPolarHBondContact CA-O 3.44Å; V14-A314 HydrophobicContact CB-CB 4.39Å; V14-A314 HydrophobicContact CG1-CB 4.12Å; V14-A314 WeakPolarHBondContact CG1-O 3.37Å; V14-A314 HydrophobicContact CG2-CB 4.06Å; R15-A314 PolarHBondContact N-O 3.41Å; M312-A314 HydrophobicContact CE-CB 4.16Å; A314-T329 HydrophobicContact CB-CG2 4.05Å; A314-A333 HydrophobicContact CB-CB 3.85Å
315	N	95.9	Very high	91.9	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.3	177.6	-85.2	98.6	0	0	0	110.5	Y94 T99 G100 K101 T104 V313	Y94-N315 PolarHBondContact O-N 2.97Å; T99-N315 WeakPolarHBondContact CB-O 3.43Å; T99-N315 PolarHBondContact O-ND2 3.14Å; T99-N315 VanDerWaalsContact OG1-CB 3.3Å; T99-N315 WeakPolarHBondContact OG1-CB 3.37Å; T99-N315 PolarHBondContact OG1-O 3.04Å; G100-N315 VanDerWaalsContact C-ND2 3.3Å; G100-N315 PolarHBondContact O-ND2 3.09Å; K101-N315 HydrophobicContact CG-CB 4.1Å; T104-N315 PolarHBondContact OG1-ND2 2.83Å; T104-N315 PolarHBondContact OG1-OD1 2.81Å; V313-N315 PolarHBondContact O-N 2.76Å
316	I	95.4	Very high	92.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.9	-178.8	64.5	173.2	0	0	0	113.2	V14 R15 C16 R17 V32 I41 T326 T329 L330	V14-I316 HydrophobicContact CG1-CD1 3.91Å; V14-I316 HydrophobicContact CG1-CG1 4.12Å; V14-I316 HydrophobicContact CG1-CG2 4.26Å; R15-I316 PolarHBondContact O-N 3.07Å; C16-I316 HydrophobicContact CB-CD1 4.17Å; C16-I316 HydrophobicContact CB-CG1 3.91Å; R17-I316 PolarHBondContact N-O 2.7Å; V32-I316 HydrophobicContact CG1-CD1 3.9Å; I41-I316 HydrophobicContact CD1-CD1 4.07Å; I41-I316 HydrophobicContact CG2-CD1 4.29Å; I316-T326 HydrophobicContact CB-CG2 3.95Å; I316-T326 HydrophobicContact CD1-CG2 4.12Å; I316-T326 HydrophobicContact CG2-CG2 4.09Å; I316-T329 HydrophobicContact CG2-CG2 3.7Å; I316-L330 HydrophobicContact CD1-CD2 4.38Å; I316-L330 HydrophobicContact CG2-CG 4.45Å
317	G	92.3	Very high	92.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.085	C	C	.	.			trans	-103.5	143.5	174.8	0	0	0	0	0	111.8	T326	G317-T326 PolarHBondContact O-OG1 2.85Å
318	P	91.8	Very high	92.1	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.019	9%	0.091	C	C	.	.			trans	-80.2	-16.9	-177.2	30.1	-36.3	0	0	0	114.8	R17 M19 Q30 M31	R17-P318 VanDerWaalsContact O-CD 3.25Å; R17-P318 WeakPolarHBondContact O-CD 3.25Å; R17-P318 WeakPolarHBondContact O-CG 3.11Å; M19-P318 HydrophobicContact CB-CG 4.33Å; M19-P318 HydrophobicContact CG-CB 4.33Å; M19-P318 HydrophobicContact CG-CG 3.55Å; Q30-P318 CarbonylContact C-O 3.57Å; Q30-P318 WeakPolarHBondContact CA-O 3.46Å; Q30-P318 HydrophobicContact CG-CB 4.11Å; M31-P318 PolarHBondContact N-O 2.84Å
319	A	91.1	Very high	92.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-80.5	142.9	-166.7	0	0	0	0	0	114.2	E23 F28 E29 Y321 N322	E23-A319 HydrophobicContact CB-CB 4.13Å; E23-A319 HydrophobicContact CG-CB 3.74Å; F28-A319 HydrophobicContact CB-CB 4.04Å; E29-A319 CarbonylContact O-C 3.59Å; E29-A319 WeakPolarHBondContact O-CA 3.47Å; A319-Y321 VanDerWaalsContact C-N 3.26Å; A319-Y321 PolarHBondContact O-N 2.91Å; A319-N322 PolarHBondContact O-N 3.08Å
320	S	88.7	Confident	92	Very high	26 Å²	26	16 Å²	16	18%	0.182	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-54.8	-34.5	-178.6	61.6	0	0	0	0	114.8	E29 M31 N322 V323	E29-S320 PolarHBondContact N-OG 3.13Å; E29-S320 PolarHBondContact O-N 3.45Å; M31-S320 VanDerWaalsContact CG-CA 3.47Å; M31-S320 VanDerWaalsContact CG-CB 3.47Å; S320-N322 PolarHBondContact O-N 3.18Å; S320-V323 WeakPolarHBondContact O-CB 3.29Å; S320-V323 VanDerWaalsContact O-CG1 3.3Å; S320-V323 WeakPolarHBondContact O-CG1 3.35Å; S320-V323 PolarHBondContact O-N 3.08Å
321	Y	85.6	Confident	91.7	Very high	130 Å²	130	18.3 Å²	18.3	51%	0.51	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-58.7	-31.2	175.6	-180	-102.2	0	0	0	113.6	F28 A319	F28-Y321 HydrophobicContact CE1-CD2 4.42Å; F28-Y321 HydrophobicContact CE1-CG 4.47Å; F28-Y321 HydrophobicContact CE2-CG 4.02Å; F28-Y321 AromaticContact CZ-CD2 3.99Å; F28-Y321 HydrophobicContact CZ-CD2 3.99Å; F28-Y321 AromaticContact CZ-CG 3.91Å; F28-Y321 HydrophobicContact CZ-CG 3.91Å; A319-Y321 VanDerWaalsContact C-N 3.26Å; A319-Y321 PolarHBondContact O-N 2.91Å
322	N	86.4	Confident	91.4	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.07	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-102.9	13.8	-175.8	-67.1	-42.9	0	0	0	113.2	E23 Q96 A319 S320 E324 E325 T326	E23-N322 PolarHBondContact OE1-ND2 3.18Å; Q96-N322 PolarHBondContact NE2-OD1 2.96Å; Q96-N322 VanDerWaalsContact OE1-CG 3.22Å; Q96-N322 PolarHBondContact OE1-OD1 2.87Å; A319-N322 PolarHBondContact O-N 3.08Å; S320-N322 PolarHBondContact O-N 3.18Å; N322-E324 VanDerWaalsContact C-N 3.35Å; N322-E324 PolarHBondContact O-N 3.46Å; N322-E325 PolarHBondContact O-N 3.04Å; N322-T326 WeakPolarHBondContact O-CB 3.42Å; N322-T326 PolarHBondContact O-N 3.29Å; N322-T326 PolarHBondContact O-OG1 3.24Å
323	V	88.1	Confident	91.2	Very high	14 Å²	14	19.2 Å²	19.2	9%	0.085	9%	0.09	C	C	.	.	H	α-helix	trans	-61.8	-38.5	-174.2	71.6	0	0	0	0	113.1	M31 V43 P46 S320 T326 L327	M31-V323 HydrophobicContact CB-CG2 4.44Å; V43-V323 HydrophobicContact CG1-CG2 3.62Å; P46-V323 HydrophobicContact CG-CG1 3.99Å; S320-V323 WeakPolarHBondContact O-CB 3.29Å; S320-V323 VanDerWaalsContact O-CG1 3.3Å; S320-V323 WeakPolarHBondContact O-CG1 3.35Å; S320-V323 PolarHBondContact O-N 3.08Å; V323-T326 WeakPolarHBondContact O-CB 3.39Å; V323-T326 PolarHBondContact O-N 2.96Å; V323-L327 HydrophobicContact CG2-CD1 4.46Å; V323-L327 WeakPolarHBondContact O-CG 3.43Å; V323-L327 PolarHBondContact O-N 3.09Å
324	E	85.9	Confident	91	Very high	71 Å²	71	21 Å²	21	33%	0.332	10%	0.1	S	C	.	.	H	α-helix	trans	-63.1	-50.8	178.8	-64.7	171.2	160.6	0	0	111.4	R47 K253 N322 T326 L327 T328	R47-E324 IonicContact CZ-OE1 2.73Å; R47-E324 IonicContact NH1-OE1 2.66Å; R47-E324 PolarHBondContact NH1-OE1 3.42Å; R47-E324 IonicContact NH2-OE1 3.66Å; R47-E324 PolarHBondContact NH2-OE1 3.2Å; K253-E324 WeakPolarHBondContact CE-OE2 3.31Å; K253-E324 IonicContact NZ-OE2 3.43Å; K253-E324 PolarHBondContact NZ-OE2 3.42Å; N322-E324 VanDerWaalsContact C-N 3.35Å; N322-E324 PolarHBondContact O-N 3.46Å; E324-T326 VanDerWaalsContact C-N 3.26Å; E324-T326 PolarHBondContact O-N 2.91Å; E324-L327 PolarHBondContact O-N 3.34Å; E324-T328 PolarHBondContact O-N 3.17Å; E324-T328 PolarHBondContact O-OG1 2.7Å
325	E	87.7	Confident	90.7	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-32.3	179	-50.7	-56.6	143.5	0	0	111.4	Q96 E249 K253 N322 T329	Q96-E325 HydrophobicContact CB-CB 4.2Å; Q96-E325 HydrophobicContact CG-CB 4.23Å; Q96-E325 HydrophobicContact CG-CG 4.3Å; E249-E325 WeakPolarHBondContact CA-OE2 3.37Å; K253-E325 WeakPolarHBondContact CE-OE1 3.43Å; K253-E325 IonicContact NZ-OE1 3.77Å; K253-E325 PolarHBondContact NZ-OE1 3.44Å; N322-E325 PolarHBondContact O-N 3.04Å; E325-T329 VanDerWaalsContact O-CB 3.31Å; E325-T329 WeakPolarHBondContact O-CB 3.3Å; E325-T329 PolarHBondContact O-N 2.96Å; E325-T329 PolarHBondContact O-OG1 2.93Å
326	T	91.5	Very high	90.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-43.8	174.2	-63.1	0	0	0	0	111.2	V32 V43 I316 G317 N322 V323 E324 T329 L330	V32-T326 HydrophobicContact CG2-CG2 4.01Å; V43-T326 HydrophobicContact CG2-CG2 4.4Å; I316-T326 HydrophobicContact CB-CG2 3.95Å; I316-T326 HydrophobicContact CD1-CG2 4.12Å; I316-T326 HydrophobicContact CG2-CG2 4.09Å; G317-T326 PolarHBondContact O-OG1 2.85Å; N322-T326 WeakPolarHBondContact O-CB 3.42Å; N322-T326 PolarHBondContact O-N 3.29Å; N322-T326 PolarHBondContact O-OG1 3.24Å; V323-T326 WeakPolarHBondContact O-CB 3.39Å; V323-T326 PolarHBondContact O-N 2.96Å; E324-T326 VanDerWaalsContact C-N 3.26Å; E324-T326 PolarHBondContact O-N 2.91Å; T326-T329 PolarHBondContact O-N 3.42Å; T326-L330 HydrophobicContact CG2-CD1 3.89Å; T326-L330 WeakPolarHBondContact O-CB 3.44Å; T326-L330 VanDerWaalsContact O-CG 3.24Å; T326-L330 WeakPolarHBondContact O-CG 3.28Å; T326-L330 PolarHBondContact O-N 2.69Å
327	L	90.1	Very high	90.4	Very high	22 Å²	22	27 Å²	27	12%	0.115	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-44.2	174.3	-73.6	171.1	0	0	0	111.8	V43 K54 F56 V323 E324 T329 L330 R331	V43-L327 HydrophobicContact CB-CD2 3.93Å; V43-L327 HydrophobicContact CG1-CD2 3.87Å; V43-L327 HydrophobicContact CG1-CG 4.14Å; V43-L327 HydrophobicContact CG2-CD2 4.29Å; K54-L327 HydrophobicContact CB-CD2 4.38Å; K54-L327 HydrophobicContact CD-CD2 4.33Å; F56-L327 HydrophobicContact CE2-CD2 4.08Å; F56-L327 HydrophobicContact CZ-CD2 4.29Å; V323-L327 HydrophobicContact CG2-CD1 4.46Å; V323-L327 WeakPolarHBondContact O-CG 3.43Å; V323-L327 PolarHBondContact O-N 3.09Å; E324-L327 PolarHBondContact O-N 3.34Å; L327-T329 VanDerWaalsContact C-N 3.33Å; L327-T329 PolarHBondContact O-N 2.97Å; L327-L330 PolarHBondContact O-N 2.99Å; L327-R331 WeakPolarHBondContact O-CB 3.38Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 3.14Å
328	T	89.5	Confident	90.4	Very high	36 Å²	36	30.8 Å²	30.8	22%	0.221	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-45.7	173.5	-61.1	0	0	0	0	111.1	E324 L330 R331 Y332	E324-T328 PolarHBondContact O-N 3.17Å; E324-T328 PolarHBondContact O-OG1 2.7Å; T328-L330 PolarHBondContact O-N 3.34Å; T328-R331 PolarHBondContact O-N 3.36Å; T328-Y332 VanDerWaalsContact O-CB 3.25Å; T328-Y332 WeakPolarHBondContact O-CB 3.43Å; T328-Y332 PolarHBondContact O-N 3.24Å
329	T	93.1	Very high	90.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-42.7	177.6	-58.8	0	0	0	0	112.2	Y94 A314 I316 E325 T326 L327 A333	Y94-T329 HydrophobicContact CD1-CG2 4.07Å; Y94-T329 HydrophobicContact CE1-CG2 4.18Å; A314-T329 HydrophobicContact CB-CG2 4.05Å; I316-T329 HydrophobicContact CG2-CG2 3.7Å; E325-T329 VanDerWaalsContact O-CB 3.31Å; E325-T329 WeakPolarHBondContact O-CB 3.3Å; E325-T329 PolarHBondContact O-N 2.96Å; E325-T329 PolarHBondContact O-OG1 2.93Å; T326-T329 PolarHBondContact O-N 3.42Å; L327-T329 VanDerWaalsContact C-N 3.33Å; L327-T329 PolarHBondContact O-N 2.97Å; T329-A333 VanDerWaalsContact O-CB 3.29Å; T329-A333 WeakPolarHBondContact O-CB 3.38Å; T329-A333 PolarHBondContact O-N 3.37Å
330	L	93.8	Very high	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-40.9	179.1	-71.6	166.5	0	0	0	112.9	V14 I41 V43 F56 F58 I316 T326 L327 T328 Y332 A333 N334	V14-L330 HydrophobicContact CG1-CD2 3.89Å; V14-L330 HydrophobicContact CG2-CD2 4.35Å; I41-L330 HydrophobicContact CB-CD2 4.5Å; I41-L330 HydrophobicContact CD1-CD2 4.18Å; I41-L330 HydrophobicContact CG2-CD1 3.99Å; I41-L330 HydrophobicContact CG2-CD2 4.18Å; V43-L330 HydrophobicContact CG2-CD1 3.38Å; F56-L330 HydrophobicContact CD1-CB 4.32Å; F56-L330 HydrophobicContact CD2-CB 4.09Å; F56-L330 HydrophobicContact CD2-CD1 3.97Å; F56-L330 HydrophobicContact CD2-CG 4.49Å; F56-L330 HydrophobicContact CE1-CB 4.27Å; F56-L330 HydrophobicContact CE2-CB 4.04Å; F56-L330 HydrophobicContact CE2-CD1 4.03Å; F56-L330 HydrophobicContact CG-CB 4.23Å; F56-L330 HydrophobicContact CZ-CB 4.13Å; F58-L330 HydrophobicContact CE2-CD2 3.67Å; F58-L330 HydrophobicContact CZ-CD2 3.74Å; I316-L330 HydrophobicContact CD1-CD2 4.38Å; I316-L330 HydrophobicContact CG2-CG 4.45Å; T326-L330 HydrophobicContact CG2-CD1 3.89Å; T326-L330 WeakPolarHBondContact O-CB 3.44Å; T326-L330 VanDerWaalsContact O-CG 3.24Å; T326-L330 WeakPolarHBondContact O-CG 3.28Å; T326-L330 PolarHBondContact O-N 2.69Å; L327-L330 PolarHBondContact O-N 2.99Å; T328-L330 PolarHBondContact O-N 3.34Å; L330-Y332 VanDerWaalsContact C-N 3.34Å; L330-A333 PolarHBondContact O-N 2.76Å; L330-N334 VanDerWaalsContact O-CB 3.23Å; L330-N334 WeakPolarHBondContact O-CB 3.31Å; L330-N334 PolarHBondContact O-N 2.99Å
331	R	90.6	Very high	90.7	Very high	55 Å²	55	35.9 Å²	35.9	21%	0.208	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-46.4	173.1	-75.5	176.4	177.8	166.2	-2.5	110.6	F56 L327 T328 N334 R335 D553 E557	F56-R331 HydrophobicContact CE1-CG 4.33Å; F56-R331 HydrophobicContact CZ-CG 4.45Å; L327-R331 WeakPolarHBondContact O-CB 3.38Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 3.14Å; T328-R331 PolarHBondContact O-N 3.36Å; R331-N334 PolarHBondContact O-N 3.1Å; R331-R335 WeakPolarHBondContact O-CG 3.33Å; R331-R335 PolarHBondContact O-N 2.86Å; R331-D553 IonicContact CZ-OD2 3.93Å; R331-D553 IonicContact NH2-OD2 2.62Å; R331-D553 PolarHBondContact NH2-OD2 3.48Å; R331-E557 IonicContact CZ-OE1 2.72Å; R331-E557 IonicContact CZ-OE2 3.93Å; R331-E557 IonicContact NH1-OE1 3.03Å; R331-E557 PolarHBondContact NH1-OE1 3.25Å; R331-E557 IonicContact NH1-OE2 2.7Å; R331-E557 PolarHBondContact NH1-OE2 3.11Å
332	Y	90.4	Very high	91	Very high	22 Å²	22	36 Å²	36	9%	0.086	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-49.7	178.2	-166.4	-80.9	0	0	0	111.9	Y94 L274 G275 I278 M312 T328 L330 N334 R335 A336	Y94-Y332 HydrophobicContact CD1-CD1 4.08Å; Y94-Y332 HydrophobicContact CD1-CE1 4.41Å; Y94-Y332 HydrophobicContact CD2-CE1 4.18Å; Y94-Y332 AromaticContact CE1-CD1 3.69Å; Y94-Y332 HydrophobicContact CE1-CD1 3.69Å; Y94-Y332 HydrophobicContact CE1-CD2 4.43Å; Y94-Y332 HydrophobicContact CE1-CE1 4.15Å; Y94-Y332 AromaticContact CE1-CG 3.84Å; Y94-Y332 HydrophobicContact CE1-CG 3.84Å; Y94-Y332 HydrophobicContact CE2-CD1 4.26Å; Y94-Y332 AromaticContact CE2-CE1 3.88Å; Y94-Y332 HydrophobicContact CE2-CE1 3.88Å; Y94-Y332 HydrophobicContact CE2-CE2 4.31Å; Y94-Y332 AromaticContact CE2-CZ 3.92Å; Y94-Y332 HydrophobicContact CG-CE1 4.44Å; Y94-Y332 AromaticContact CZ-CD1 3.79Å; Y94-Y332 AromaticContact CZ-CD2 3.97Å; Y94-Y332 AromaticContact CZ-CE1 3.87Å; Y94-Y332 AromaticContact CZ-CG 3.83Å; Y94-Y332 WeakPolarHBondContact OH-CD2 3.24Å; L274-Y332 VanDerWaalsContact CB-OH 3.31Å; L274-Y332 WeakPolarHBondContact CB-OH 3.43Å; L274-Y332 WeakPolarHBondContact CD2-OH 3.4Å; L274-Y332 WeakPolarHBondContact CG-OH 3.37Å; L274-Y332 PolarHBondContact O-OH 3.14Å; G275-Y332 VanDerWaalsContact CA-CE2 3.4Å; G275-Y332 PolarHBondContact N-OH 3.03Å; G275-Y332 VanDerWaalsContact N-OH 3.13Å; I278-Y332 HydrophobicContact CD1-CD1 4.26Å; I278-Y332 HydrophobicContact CD1-CE1 3.41Å; I278-Y332 VanDerWaalsContact CD1-CE1 3.41Å; M312-Y332 HydrophobicContact CE-CD1 3.75Å; M312-Y332 HydrophobicContact CE-CE1 4.21Å; T328-Y332 VanDerWaalsContact O-CB 3.25Å; T328-Y332 WeakPolarHBondContact O-CB 3.43Å; T328-Y332 PolarHBondContact O-N 3.24Å; L330-Y332 VanDerWaalsContact C-N 3.34Å; Y332-N334 VanDerWaalsContact C-N 3.31Å; Y332-N334 PolarHBondContact O-N 3.37Å; Y332-R335 PolarHBondContact O-N 3.1Å; Y332-A336 PolarHBondContact O-N 3.49Å
333	A	94.1	Very high	91.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-40	174.4	0	0	0	0	0	112.3	V12 F58 M312 A314 T329 L330 R335 A336 K337	V12-A333 HydrophobicContact CG1-CB 3.74Å; F58-A333 HydrophobicContact CE1-CB 3.68Å; F58-A333 HydrophobicContact CZ-CB 4.21Å; M312-A333 HydrophobicContact CE-CB 3.94Å; M312-A333 HydrophobicContact SD-CB 4.28Å; A314-A333 HydrophobicContact CB-CB 3.85Å; T329-A333 VanDerWaalsContact O-CB 3.29Å; T329-A333 WeakPolarHBondContact O-CB 3.38Å; T329-A333 PolarHBondContact O-N 3.37Å; L330-A333 PolarHBondContact O-N 2.76Å; A333-R335 VanDerWaalsContact C-N 3.35Å; A333-R335 PolarHBondContact O-N 3.47Å; A333-A336 PolarHBondContact O-N 3.27Å; A333-K337 PolarHBondContact O-N 3.08Å
334	N	92.3	Very high	91.2	Very high	39 Å²	39	40.8 Å²	40.8	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-28.5	179.5	-172.2	60.6	0	0	0	113	F56 F58 L330 R331 Y332 K337	F56-N334 HydrophobicContact CD1-CB 4.26Å; F58-N334 HydrophobicContact CE1-CB 4.22Å; F58-N334 HydrophobicContact CZ-CB 4.46Å; L330-N334 VanDerWaalsContact O-CB 3.23Å; L330-N334 WeakPolarHBondContact O-CB 3.31Å; L330-N334 PolarHBondContact O-N 2.99Å; R331-N334 PolarHBondContact O-N 3.1Å; Y332-N334 VanDerWaalsContact C-N 3.31Å; Y332-N334 PolarHBondContact O-N 3.37Å; N334-K337 WeakPolarHBondContact OD1-CE 3.29Å; N334-K337 PolarHBondContact OD1-NZ 3.3Å
335	R	91.1	Very high	91.4	Very high	74 Å²	74	39.4 Å²	39.4	28%	0.279	18%	0.183	S	C	.	.	H	α-helix	trans	-69.9	-50	166.7	-63.8	179.6	-163.3	173.1	7.9	110	I278 S279 V282 R331 Y332 A333 K337 N338 E557	I278-R335 HydrophobicContact CG2-CB 3.92Å; S279-R335 PolarHBondContact OG-NH1 3.15Å; V282-R335 VanDerWaalsContact CG2-O 3.24Å; V282-R335 WeakPolarHBondContact CG2-O 3.42Å; R331-R335 WeakPolarHBondContact O-CG 3.33Å; R331-R335 PolarHBondContact O-N 2.86Å; Y332-R335 PolarHBondContact O-N 3.1Å; A333-R335 VanDerWaalsContact C-N 3.35Å; A333-R335 PolarHBondContact O-N 3.47Å; R335-K337 VanDerWaalsContact C-N 3.27Å; R335-K337 PolarHBondContact O-N 3.49Å; R335-K337 VanDerWaalsContact O-N 3.14Å; R335-N338 WeakPolarHBondContact O-CB 3.48Å; R335-N338 PolarHBondContact O-N 2.93Å; R335-E557 IonicContact NH2-OE2 3.95Å
336	A	93	Very high	91.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54	-36.8	-174.5	0	0	0	0	0	114.5	V12 I278 M312 Y332 A333 N338 I339	V12-A336 HydrophobicContact CG2-CB 4.09Å; I278-A336 HydrophobicContact CD1-CB 4.12Å; I278-A336 HydrophobicContact CG2-CB 4.34Å; M312-A336 HydrophobicContact SD-CB 3.6Å; Y332-A336 PolarHBondContact O-N 3.49Å; A333-A336 PolarHBondContact O-N 3.27Å; A336-N338 PolarHBondContact O-N 2.8Å; A336-N338 VanDerWaalsContact O-N 3.09Å; A336-I339 HydrophobicContact CB-CD1 4.43Å; A336-I339 WeakPolarHBondContact O-CB 3.25Å; A336-I339 VanDerWaalsContact O-CG1 3.28Å; A336-I339 WeakPolarHBondContact O-CG1 3.46Å; A336-I339 PolarHBondContact O-N 3.34Å; A336-I339 VanDerWaalsContact O-N 3.08Å
337	K	92.6	Very high	90.9	Very high	54 Å²	54	42.9 Å²	42.9	24%	0.235	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-179.5	86.2	-167	-170.1	-168.1	0	114.5	V12 T57 A333 N334 R335	V12-K337 HydrophobicContact CB-CB 4.02Å; V12-K337 HydrophobicContact CG2-CB 3.55Å; T57-K337 PolarHBondContact O-NZ 2.79Å; A333-K337 PolarHBondContact O-N 3.08Å; N334-K337 WeakPolarHBondContact OD1-CE 3.29Å; N334-K337 PolarHBondContact OD1-NZ 3.3Å; R335-K337 VanDerWaalsContact C-N 3.27Å; R335-K337 PolarHBondContact O-N 3.49Å; R335-K337 VanDerWaalsContact O-N 3.14Å
338	N	91.5	Very high	90.1	Very high	81 Å²	81	45.2 Å²	45.2	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-7.3	-179.6	-60.2	-26.7	0	0	0	112.7	V282 R335 A336	V282-N338 HydrophobicContact CG1-CB 3.86Å; V282-N338 HydrophobicContact CG2-CB 4.03Å; R335-N338 WeakPolarHBondContact O-CB 3.48Å; R335-N338 PolarHBondContact O-N 2.93Å; A336-N338 PolarHBondContact O-N 2.8Å; A336-N338 VanDerWaalsContact O-N 3.09Å
339	I	92.6	Very high	88.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.			trans	-66.6	135.9	176.1	-60.9	169.9	0	0	0	109.4	T9 V10 I278 L281 V282 L304 A336	T9-I339 CarbonylContact C-O 3.59Å; T9-I339 VanDerWaalsContact CA-O 3.27Å; T9-I339 WeakPolarHBondContact CA-O 3.37Å; V10-I339 HydrophobicContact CB-CB 4.29Å; V10-I339 HydrophobicContact CG2-CB 3.72Å; V10-I339 HydrophobicContact CG2-CG2 3.73Å; V10-I339 PolarHBondContact N-O 2.95Å; I278-I339 HydrophobicContact CB-CD1 4.18Å; I278-I339 HydrophobicContact CD1-CD1 4.29Å; I278-I339 HydrophobicContact CG1-CD1 3.73Å; I278-I339 HydrophobicContact CG2-CD1 4.03Å; L281-I339 HydrophobicContact CB-CG1 4.13Å; L281-I339 HydrophobicContact CB-CG2 4.47Å; L281-I339 HydrophobicContact CD1-CD1 4.3Å; L281-I339 HydrophobicContact CD1-CG1 4.46Å; L281-I339 HydrophobicContact CD1-CG2 4.02Å; V282-I339 HydrophobicContact CG2-CG1 3.88Å; L304-I339 HydrophobicContact CD2-CD1 4.14Å; A336-I339 HydrophobicContact CB-CD1 4.43Å; A336-I339 WeakPolarHBondContact O-CB 3.25Å; A336-I339 VanDerWaalsContact O-CG1 3.28Å; A336-I339 WeakPolarHBondContact O-CG1 3.46Å; A336-I339 PolarHBondContact O-N 3.34Å; A336-I339 VanDerWaalsContact O-N 3.08Å
340	K	91.8	Very high	86.9	Confident	133 Å²	133	55.6 Å²	55.6	58%	0.578	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.6	-178.3	-67.9	178.7	-176.9	177.1	0	111.1	E8 T9	E8-K340 CarbonylContact O-C 3.6Å; T9-K340 HydrophobicContact CG2-CG 4.24Å
341	N	93	Very high	85.1	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	165	174.1	-68.7	13.7	0	0	0	111	S7 E8 S303 G305 A308 T310 P343	S7-N341 WeakPolarHBondContact CA-O 3.46Å; E8-N341 PolarHBondContact N-O 3.26Å; E8-N341 PolarHBondContact O-N 2.69Å; S303-N341 PolarHBondContact O-ND2 2.89Å; G305-N341 WeakPolarHBondContact CA-OD1 3.42Å; G305-N341 PolarHBondContact N-OD1 2.87Å; A308-N341 WeakPolarHBondContact O-CB 3.41Å; A308-N341 PolarHBondContact O-ND2 3.02Å; T310-N341 PolarHBondContact OG1-ND2 3.3Å; N341-P343 VanDerWaalsContact C-CD 3.45Å
342	K	91.3	Very high	83.5	Confident	134 Å²	134	55.3 Å²	55.3	58%	0.583	27%	0.273	S	S	*	.			trans	-129.3	65.2	176.5	-65.2	174.2	-173.2	163.6	0	110.2	G306 H344	G306-K342 PolarHBondContact O-N 3.36Å; K342-H344 PolarHBondContact O-N 3.5Å
343	P	90.8	Very high	81.9	Confident	23 Å²	23	58.2 Å²	58.2	15%	0.149	29%	0.29	C	S	.	.			trans	-62.3	135	179.3	26.8	-33.7	0	0	0	111.1	E8 F87 N307 R309 N341	E8-P343 HydrophobicContact CB-CG 4.04Å; E8-P343 WeakPolarHBondContact OE2-CG 2.84Å; F87-P343 HydrophobicContact CD1-CB 3.96Å; F87-P343 HydrophobicContact CE1-CB 4.26Å; N307-P343 WeakPolarHBondContact OD1-CA 3.43Å; R309-P343 HydrophobicContact CG-CB 3.83Å; R309-P343 HydrophobicContact CG-CG 3.96Å; N341-P343 VanDerWaalsContact C-CD 3.45Å
344	H	88.8	Confident	80.1	Confident	104 Å²	104	61.1 Å²	61.1	48%	0.481	31%	0.305	S	S	.	.			trans	-133	162.5	166.5	57	-81.3	0	0	0	109.7	F87 N307 K342	F87-H344 VanDerWaalsContact CD1-C 3.42Å; F87-H344 VanDerWaalsContact CD1-O 3.3Å; F87-H344 WeakPolarHBondContact CD1-O 3.12Å; N307-H344 PolarHBondContact ND2-CE1 2.86Å; N307-H344 PolarHBondContact ND2-NE2 2.88Å; N307-H344 PolarHBondContact OD1-N 3.04Å; N307-H344 PolarHBondContact OD1-ND1 3.09Å; N307-H344 VanDerWaalsContact OD1-ND1 3.08Å; N307-H344 PolarHBondContact OD1-O 2.94Å; K342-H344 PolarHBondContact O-N 3.5Å
345	I	89.4	Confident	78.7	Confident	42 Å²	42	63.7 Å²	63.7	22%	0.215	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-74.5	134.1	173.8	-48.3	177.2	0	0	0	107.2	L85 F87 E347	L85-I345 VanDerWaalsContact O-CG2 3.31Å; L85-I345 WeakPolarHBondContact O-CG2 3.49Å; F87-I345 HydrophobicContact CD1-CG1 4.37Å; F87-I345 HydrophobicContact CD2-CG1 4.04Å; F87-I345 HydrophobicContact CE1-CG1 3.93Å; F87-I345 HydrophobicContact CE2-CD1 4.1Å; F87-I345 HydrophobicContact CE2-CG1 3.55Å; F87-I345 HydrophobicContact CG-CG1 4.43Å; F87-I345 HydrophobicContact CZ-CD1 4.22Å; F87-I345 HydrophobicContact CZ-CG1 3.49Å; F87-I345 VanDerWaalsContact CZ-CG1 3.49Å; I345-E347 HydrophobicContact CB-CG 3.81Å; I345-E347 HydrophobicContact CG2-CG 3.39Å; I345-E347 PolarHBondContact O-N 3Å
346	N	86.8	Confident	77.2	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.219	33%	0.328	C	S	.	.			trans	-88.1	99.8	171.8	-37.2	-71.9	0	0	0	107.9	G86 N88 R236 V237 N307	G86-N346 PolarHBondContact O-N 3.49Å; G86-N346 PolarHBondContact O-ND2 2.83Å; N88-N346 PolarHBondContact ND2-OD1 3.07Å; N88-N346 PolarHBondContact OD1-ND2 2.83Å; R236-N346 WeakPolarHBondContact CA-O 3.33Å; V237-N346 PolarHBondContact N-O 3.35Å; V237-N346 WeakPolarHBondContact O-CB 3.22Å; V237-N346 PolarHBondContact O-ND2 3.35Å; N307-N346 PolarHBondContact ND2-OD1 3.46Å
347	E	82.1	Confident	75.2	Confident	37 Å²	37	72.2 Å²	72.2	17%	0.173	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-119.4	163.9	178.9	-44	-175.9	126.2	0	0	107.7	I235 R236 I345 D351 A352 R355	I235-E347 WeakPolarHBondContact O-CA 3.48Å; R236-E347 VanDerWaalsContact CD-OE1 3.31Å; R236-E347 WeakPolarHBondContact CD-OE1 3.4Å; R236-E347 HydrophobicContact CG-CG 4.01Å; I345-E347 HydrophobicContact CB-CG 3.81Å; I345-E347 HydrophobicContact CG2-CG 3.39Å; I345-E347 PolarHBondContact O-N 3Å; E347-D351 HydrophobicContact CB-CB 4.48Å; E347-A352 HydrophobicContact CB-CB 4.44Å; E347-R355 IonicContact OE1-NE 3.53Å; E347-R355 IonicContact OE1-NH2 2.72Å; E347-R355 IonicContact OE2-CZ 3.47Å; E347-R355 VanDerWaalsContact OE2-CZ 3.28Å; E347-R355 IonicContact OE2-NE 2.71Å; E347-R355 PolarHBondContact OE2-NE 3.12Å; E347-R355 IonicContact OE2-NH2 3.6Å; E347-R355 PolarHBondContact OE2-NH2 3.46Å
348	D	72.8	Confident	73	Confident	70 Å²	70	74.1 Å²	74.1	37%	0.374	36%	0.363	S	S	.	.			trans	-57.8	138.2	170.9	-169.4	-66.7	0	0	0	109.3	I235 K350 D351 A352	I235-D348 PolarHBondContact O-N 2.88Å; D348-K350 PolarHBondContact O-N 3.43Å; D348-K350 WeakPolarHBondContact OD1-CB 3.35Å; D348-K350 WeakPolarHBondContact OD1-CG 3.34Å; D348-K350 PolarHBondContact OD1-N 3.28Å; D348-D351 HydrophobicContact CB-CB 4.34Å; D348-D351 PolarHBondContact O-N 2.97Å; D348-A352 PolarHBondContact O-N 3.36Å
349	P	61	Low	71.4	Confident	106 Å²	106	74.5 Å²	74.5	69%	0.688	36%	0.362	S	S	*	.	H	α-helix	trans	-55.9	-21.1	177.8	20.4	-33.7	0	0	0	114.6	L353	P349-L353 WeakPolarHBondContact O-CB 3.43Å; P349-L353 PolarHBondContact O-N 2.97Å
350	K	54.8	Low	69.4	Low	149 Å²	149	77.7 Å²	77.7	65%	0.648	38%	0.377	S	S	*	.	H	α-helix	trans	-71	-52.7	169.8	-64.1	176.6	-176.5	176.2	0	111.6	D348 A352 L353 L354	D348-K350 PolarHBondContact O-N 3.43Å; D348-K350 WeakPolarHBondContact OD1-CB 3.35Å; D348-K350 WeakPolarHBondContact OD1-CG 3.34Å; D348-K350 PolarHBondContact OD1-N 3.28Å; K350-A352 PolarHBondContact O-N 3.26Å; K350-L353 WeakPolarHBondContact O-CB 3.11Å; K350-L353 PolarHBondContact O-N 2.91Å; K350-L353 VanDerWaalsContact O-N 3.13Å; K350-L354 PolarHBondContact O-N 3.44Å
351	D	57	Low	67.4	Low	13 Å²	13	75.4 Å²	75.4	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-44.3	-178.6	-55.5	-2.6	0	0	0	111.1	H234 I235 E347 D348 L353 L354 R355	H234-D351 VanDerWaalsContact CA-OD2 3.3Å; H234-D351 WeakPolarHBondContact CA-OD2 3.29Å; H234-D351 WeakPolarHBondContact ND1-CB 3.44Å; H234-D351 IonicContact ND1-OD1 3.68Å; H234-D351 IonicContact ND1-OD2 3.58Å; I235-D351 PolarHBondContact N-OD2 3.36Å; E347-D351 HydrophobicContact CB-CB 4.48Å; D348-D351 HydrophobicContact CB-CB 4.34Å; D348-D351 PolarHBondContact O-N 2.97Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 2.88Å; D351-L354 WeakPolarHBondContact O-CB 3.47Å; D351-L354 PolarHBondContact O-N 3.08Å; D351-R355 WeakPolarHBondContact O-CB 3.43Å; D351-R355 PolarHBondContact O-N 3.46Å
352	A	57	Low	65.4	Low	36 Å²	36	78 Å²	78	30%	0.298	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-38.4	176.6	0	0	0	0	0	112.3	E347 D348 K350 E356	E347-A352 HydrophobicContact CB-CB 4.44Å; D348-A352 PolarHBondContact O-N 3.36Å; K350-A352 PolarHBondContact O-N 3.26Å; A352-E356 PolarHBondContact O-N 2.67Å; A352-E356 VanDerWaalsContact O-N 3.1Å
353	L	56.3	Low	63.8	Low	83 Å²	83	77.2 Å²	77.2	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-75.5	-40.1	177.9	-173.2	67.4	0	0	0	111.6	P349 K350 D351 R355 E356 F357	P349-L353 WeakPolarHBondContact O-CB 3.43Å; P349-L353 PolarHBondContact O-N 2.97Å; K350-L353 WeakPolarHBondContact O-CB 3.11Å; K350-L353 PolarHBondContact O-N 2.91Å; K350-L353 VanDerWaalsContact O-N 3.13Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 2.88Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.41Å; L353-E356 PolarHBondContact O-N 3.1Å; L353-F357 HydrophobicContact CD1-CE1 4.21Å; L353-F357 HydrophobicContact CD1-CE2 3.93Å; L353-F357 HydrophobicContact CD1-CZ 3.75Å; L353-F357 HydrophobicContact CD2-CE2 3.84Å; L353-F357 HydrophobicContact CD2-CZ 4.2Å; L353-F357 HydrophobicContact CG-CD2 4.02Å; L353-F357 HydrophobicContact CG-CE2 3.53Å; L353-F357 HydrophobicContact CG-CZ 3.89Å; L353-F357 WeakPolarHBondContact O-CB 3.42Å; L353-F357 WeakPolarHBondContact O-CD2 3.34Å; L353-F357 WeakPolarHBondContact O-CG 3.32Å; L353-F357 PolarHBondContact O-N 2.81Å
354	L	56.2	Low	61.7	Low	61 Å²	61	80 Å²	80	32%	0.319	40%	0.399	S	S	.	.	H	α-helix	trans	-57	-46.6	171.6	-83.7	162.5	0	0	0	110.9	K350 D351 F357 Q358	K350-L354 PolarHBondContact O-N 3.44Å; D351-L354 WeakPolarHBondContact O-CB 3.47Å; D351-L354 PolarHBondContact O-N 3.08Å; L354-F357 PolarHBondContact O-N 3.49Å; L354-Q358 WeakPolarHBondContact O-CB 3.4Å; L354-Q358 VanDerWaalsContact O-CG 3.29Å; L354-Q358 WeakPolarHBondContact O-CG 3.22Å; L354-Q358 PolarHBondContact O-N 2.88Å
355	R	62.8	Low	59.8	Low	94 Å²	94	81.7 Å²	81.7	36%	0.355	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-41.4	177.8	-169.9	168.9	59.7	70	0.5	112.7	E347 D351 L353 F357 Q358 E359	E347-R355 IonicContact OE1-NE 3.53Å; E347-R355 IonicContact OE1-NH2 2.72Å; E347-R355 IonicContact OE2-CZ 3.47Å; E347-R355 VanDerWaalsContact OE2-CZ 3.28Å; E347-R355 IonicContact OE2-NE 2.71Å; E347-R355 PolarHBondContact OE2-NE 3.12Å; E347-R355 IonicContact OE2-NH2 3.6Å; E347-R355 PolarHBondContact OE2-NH2 3.46Å; D351-R355 WeakPolarHBondContact O-CB 3.43Å; D351-R355 PolarHBondContact O-N 3.46Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.41Å; R355-F357 VanDerWaalsContact C-N 3.32Å; R355-F357 PolarHBondContact O-N 2.87Å; R355-Q358 PolarHBondContact O-N 3.12Å; R355-E359 IonicContact NH1-OE1 3.83Å; R355-E359 PolarHBondContact NH1-OE1 2.76Å; R355-E359 VanDerWaalsContact NH1-OE1 3.08Å; R355-E359 WeakPolarHBondContact O-CB 3.48Å; R355-E359 PolarHBondContact O-N 3.19Å
356	E	60.3	Low	58.3	Low	134 Å²	134	84.1 Å²	84.1	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-39.5	174.1	-174.2	167.6	-161.7	0	0	111.6	A352 L353 E360	A352-E356 PolarHBondContact O-N 2.67Å; A352-E356 VanDerWaalsContact O-N 3.1Å; L353-E356 PolarHBondContact O-N 3.1Å; E356-E360 PolarHBondContact O-N 2.95Å
357	F	50	Low	56.6	Low	119 Å²	119	86 Å²	86	52%	0.522	42%	0.422	S	S	.	.	H	α-helix	trans	-67.8	-41.8	173.1	-69.1	-31.7	0	0	0	112.9	L353 L354 R355 E360 I361	L353-F357 HydrophobicContact CD1-CE1 4.21Å; L353-F357 HydrophobicContact CD1-CE2 3.93Å; L353-F357 HydrophobicContact CD1-CZ 3.75Å; L353-F357 HydrophobicContact CD2-CE2 3.84Å; L353-F357 HydrophobicContact CD2-CZ 4.2Å; L353-F357 HydrophobicContact CG-CD2 4.02Å; L353-F357 HydrophobicContact CG-CE2 3.53Å; L353-F357 HydrophobicContact CG-CZ 3.89Å; L353-F357 WeakPolarHBondContact O-CB 3.42Å; L353-F357 WeakPolarHBondContact O-CD2 3.34Å; L353-F357 WeakPolarHBondContact O-CG 3.32Å; L353-F357 PolarHBondContact O-N 2.81Å; L354-F357 PolarHBondContact O-N 3.49Å; R355-F357 VanDerWaalsContact C-N 3.32Å; R355-F357 PolarHBondContact O-N 2.87Å; F357-E360 PolarHBondContact O-N 2.85Å; F357-I361 VanDerWaalsContact O-CB 3.29Å; F357-I361 WeakPolarHBondContact O-CB 3.47Å; F357-I361 WeakPolarHBondContact O-CD1 3.08Å; F357-I361 WeakPolarHBondContact O-CG1 3.31Å; F357-I361 PolarHBondContact O-N 2.7Å
358	Q	47.8	Very low	55	Low	94 Å²	94	89.3 Å²	89.3	44%	0.439	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.7	-74	176.7	13.2	0	0	111.5	L354 R355 I361 A362	L354-Q358 WeakPolarHBondContact O-CB 3.4Å; L354-Q358 VanDerWaalsContact O-CG 3.29Å; L354-Q358 WeakPolarHBondContact O-CG 3.22Å; L354-Q358 PolarHBondContact O-N 2.88Å; R355-Q358 PolarHBondContact O-N 3.12Å; Q358-I361 PolarHBondContact O-N 3.29Å; Q358-A362 WeakPolarHBondContact O-CB 3.31Å; Q358-A362 PolarHBondContact O-N 2.81Å
359	E	56.1	Low	53.8	Low	88 Å²	88	92.9 Å²	92.9	41%	0.411	46%	0.455	S	S	.	.	H	α-helix	trans	-60.4	-46.3	174.1	-80.7	-174.2	-144.8	0	0	112	K3 R355 A362 R363	K3-E359 IonicContact NZ-OE2 2.76Å; R355-E359 IonicContact NH1-OE1 3.83Å; R355-E359 PolarHBondContact NH1-OE1 2.76Å; R355-E359 VanDerWaalsContact NH1-OE1 3.08Å; R355-E359 WeakPolarHBondContact O-CB 3.48Å; R355-E359 PolarHBondContact O-N 3.19Å; E359-A362 PolarHBondContact O-N 3.34Å; E359-R363 VanDerWaalsContact O-CB 3.28Å; E359-R363 WeakPolarHBondContact O-CB 3.2Å; E359-R363 PolarHBondContact O-N 2.8Å
360	E	51.2	Low	53.4	Low	67 Å²	67	93.5 Å²	93.5	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-72.1	-33.5	179.3	-167	63.8	-162.6	0	0	111.5	E356 F357 R363 L364	E356-E360 PolarHBondContact O-N 2.95Å; F357-E360 PolarHBondContact O-N 2.85Å; E360-R363 VanDerWaalsContact CD-NH1 3.32Å; E360-R363 PolarHBondContact O-N 3.49Å; E360-R363 IonicContact OE1-CZ 2.71Å; E360-R363 IonicContact OE1-NH1 2.7Å; E360-R363 PolarHBondContact OE1-NH1 2.99Å; E360-R363 WeakPolarHBondContact OE2-CD 3.48Å; E360-R363 IonicContact OE2-CZ 3.42Å; E360-R363 IonicContact OE2-NE 2.76Å; E360-R363 IonicContact OE2-NH1 3.16Å; E360-R363 PolarHBondContact OE2-NH1 2.99Å; E360-L364 HydrophobicContact CG-CD1 4.1Å; E360-L364 HydrophobicContact CG-CG 4.36Å; E360-L364 VanDerWaalsContact O-CB 3.24Å; E360-L364 WeakPolarHBondContact O-CB 3.45Å; E360-L364 WeakPolarHBondContact O-CG 3.45Å; E360-L364 PolarHBondContact O-N 3.21Å
361	I	50.4	Low	52.8	Low	86 Å²	86	95 Å²	95	44%	0.441	45%	0.449	S	S	.	.	H	α-helix	trans	-61.6	-46.7	170	-73.6	164.2	0	0	0	110.4	F357 Q358 R363 L364 K365	F357-I361 VanDerWaalsContact O-CB 3.29Å; F357-I361 WeakPolarHBondContact O-CB 3.47Å; F357-I361 WeakPolarHBondContact O-CD1 3.08Å; F357-I361 WeakPolarHBondContact O-CG1 3.31Å; F357-I361 PolarHBondContact O-N 2.7Å; Q358-I361 PolarHBondContact O-N 3.29Å; I361-R363 PolarHBondContact O-N 2.97Å; I361-L364 PolarHBondContact O-N 3.4Å; I361-K365 HydrophobicContact CG2-CD 4.03Å; I361-K365 HydrophobicContact CG2-CG 4.4Å; I361-K365 WeakPolarHBondContact O-CB 3.33Å; I361-K365 VanDerWaalsContact O-CG 3.31Å; I361-K365 WeakPolarHBondContact O-CG 3.48Å; I361-K365 PolarHBondContact O-N 2.99Å
362	A	50.1	Low	52	Low	57 Å²	57	97.5 Å²	97.5	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-44.8	177	0	0	0	0	0	111.2	Q358 E359 L364 K365 E366	Q358-A362 WeakPolarHBondContact O-CB 3.31Å; Q358-A362 PolarHBondContact O-N 2.81Å; E359-A362 PolarHBondContact O-N 3.34Å; A362-L364 PolarHBondContact O-N 3.25Å; A362-K365 PolarHBondContact O-N 3.37Å; A362-E366 WeakPolarHBondContact O-CB 3.18Å; A362-E366 PolarHBondContact O-N 3.35Å
363	R	58.6	Low	51.1	Low	117 Å²	117	97.5 Å²	97.5	44%	0.442	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.6	-170.4	-162	-178.6	-162.6	-1.5	112.8	E359 E360 I361 Q367	E359-R363 VanDerWaalsContact O-CB 3.28Å; E359-R363 WeakPolarHBondContact O-CB 3.2Å; E359-R363 PolarHBondContact O-N 2.8Å; E360-R363 VanDerWaalsContact CD-NH1 3.32Å; E360-R363 PolarHBondContact O-N 3.49Å; E360-R363 IonicContact OE1-CZ 2.71Å; E360-R363 IonicContact OE1-NH1 2.7Å; E360-R363 PolarHBondContact OE1-NH1 2.99Å; E360-R363 WeakPolarHBondContact OE2-CD 3.48Å; E360-R363 IonicContact OE2-CZ 3.42Å; E360-R363 IonicContact OE2-NE 2.76Å; E360-R363 IonicContact OE2-NH1 3.16Å; E360-R363 PolarHBondContact OE2-NH1 2.99Å; I361-R363 PolarHBondContact O-N 2.97Å; R363-Q367 WeakPolarHBondContact O-CB 3.5Å; R363-Q367 VanDerWaalsContact O-CG 3.3Å; R363-Q367 WeakPolarHBondContact O-CG 3.43Å; R363-Q367 PolarHBondContact O-N 2.89Å
364	L	46.2	Very low	50.2	Low	83 Å²	83	101.4 Å²	101.4	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-71.8	-39.4	176.2	-74.5	169.1	0	0	0	111.4	E360 I361 A362 Q367 L368	E360-L364 HydrophobicContact CG-CD1 4.1Å; E360-L364 HydrophobicContact CG-CG 4.36Å; E360-L364 VanDerWaalsContact O-CB 3.24Å; E360-L364 WeakPolarHBondContact O-CB 3.45Å; E360-L364 WeakPolarHBondContact O-CG 3.45Å; E360-L364 PolarHBondContact O-N 3.21Å; I361-L364 PolarHBondContact O-N 3.4Å; A362-L364 PolarHBondContact O-N 3.25Å; L364-Q367 PolarHBondContact O-N 3.02Å; L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 PolarHBondContact O-N 3.25Å
365	K	48	Very low	49.2	Very low	138 Å²	138	105.8 Å²	105.8	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-59	-46.7	170.1	-76.6	175.6	177.9	179.1	0	110.8	I361 A362 Q367 L368 E369	I361-K365 HydrophobicContact CG2-CD 4.03Å; I361-K365 HydrophobicContact CG2-CG 4.4Å; I361-K365 WeakPolarHBondContact O-CB 3.33Å; I361-K365 VanDerWaalsContact O-CG 3.31Å; I361-K365 WeakPolarHBondContact O-CG 3.48Å; I361-K365 PolarHBondContact O-N 2.99Å; A362-K365 PolarHBondContact O-N 3.37Å; K365-Q367 PolarHBondContact O-N 3.3Å; K365-L368 CarbonylContact O-C 3.49Å; K365-L368 WeakPolarHBondContact O-CA 3.09Å; K365-L368 WeakPolarHBondContact O-CB 3.27Å; K365-L368 PolarHBondContact O-N 3.18Å; K365-L368 VanDerWaalsContact O-N 3.13Å; K365-E369 PolarHBondContact O-N 3.16Å
366	E	57.9	Low	48.1	Very low	94 Å²	94	108.1 Å²	108.1	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-39.6	177.2	-160	-147.4	-167.9	0	0	112.2	A362 E369 K370	A362-E366 WeakPolarHBondContact O-CB 3.18Å; A362-E366 PolarHBondContact O-N 3.35Å; E366-E369 PolarHBondContact O-N 3.03Å; E366-K370 VanDerWaalsContact CD-CE 3.46Å; E366-K370 HydrophobicContact CG-CD 4.46Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 VanDerWaalsContact O-CG 3.28Å; E366-K370 WeakPolarHBondContact O-CG 3.5Å; E366-K370 PolarHBondContact O-N 3Å; E366-K370 VanDerWaalsContact OE1-CE 3.23Å; E366-K370 WeakPolarHBondContact OE1-CE 3.38Å; E366-K370 IonicContact OE1-NZ 2.74Å; E366-K370 PolarHBondContact OE1-NZ 2.57Å; E366-K370 IonicContact OE2-NZ 3.18Å; E366-K370 PolarHBondContact OE2-NZ 3.3Å
367	Q	52.2	Low	47.1	Very low	80 Å²	80	110.5 Å²	110.5	37%	0.374	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-36.3	172.4	-75.7	179	54.9	0	0	112.7	R363 L364 K365 R371	R363-Q367 WeakPolarHBondContact O-CB 3.5Å; R363-Q367 VanDerWaalsContact O-CG 3.3Å; R363-Q367 WeakPolarHBondContact O-CG 3.43Å; R363-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 PolarHBondContact O-N 3.02Å; K365-Q367 PolarHBondContact O-N 3.3Å; Q367-R371 WeakPolarHBondContact O-CB 3.25Å; Q367-R371 WeakPolarHBondContact O-CG 3.38Å; Q367-R371 PolarHBondContact O-N 2.77Å
368	L	47.9	Very low	46.6	Very low	107 Å²	107	115.1 Å²	115.1	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-46.3	173	-89	158.7	0	0	0	110.8	L364 K365 K370 R371 V372	L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 PolarHBondContact O-N 3.25Å; K365-L368 CarbonylContact O-C 3.49Å; K365-L368 WeakPolarHBondContact O-CA 3.09Å; K365-L368 WeakPolarHBondContact O-CB 3.27Å; K365-L368 PolarHBondContact O-N 3.18Å; K365-L368 VanDerWaalsContact O-N 3.13Å; L368-K370 PolarHBondContact O-N 3.13Å; L368-R371 CarbonylContact O-C 3.55Å; L368-R371 WeakPolarHBondContact O-CA 3.28Å; L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 3.12Å; L368-R371 VanDerWaalsContact O-N 3.09Å; L368-V372 WeakPolarHBondContact O-CB 3.47Å; L368-V372 VanDerWaalsContact O-CG2 3.28Å; L368-V372 WeakPolarHBondContact O-CG2 3.37Å; L368-V372 PolarHBondContact O-N 3.4Å
369	E	49	Very low	46.2	Very low	144 Å²	144	120 Å²	120	67%	0.673	55%	0.547	S	S	*	.	H	α-helix	trans	-59.9	-45.5	174	-74.4	-157.7	119	0	0	112.2	K365 E366 R371 V372 G373	K365-E369 PolarHBondContact O-N 3.16Å; E366-E369 PolarHBondContact O-N 3.03Å; E369-R371 PolarHBondContact O-N 2.72Å; E369-V372 CarbonylContact O-C 3.4Å; E369-V372 PolarHBondContact O-N 2.84Å; E369-V372 VanDerWaalsContact O-N 3.1Å; E369-G373 PolarHBondContact O-N 2.71Å
370	K	51.2	Low	45.5	Very low	119 Å²	119	124 Å²	124	52%	0.517	57%	0.566	S	S	.	*	H	α-helix	trans	-60.4	-29.2	175.1	-72.8	168.2	-176.8	172.2	0	112.5	E366 L368	E366-K370 VanDerWaalsContact CD-CE 3.46Å; E366-K370 HydrophobicContact CG-CD 4.46Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 VanDerWaalsContact O-CG 3.28Å; E366-K370 WeakPolarHBondContact O-CG 3.5Å; E366-K370 PolarHBondContact O-N 3Å; E366-K370 VanDerWaalsContact OE1-CE 3.23Å; E366-K370 WeakPolarHBondContact OE1-CE 3.38Å; E366-K370 IonicContact OE1-NZ 2.74Å; E366-K370 PolarHBondContact OE1-NZ 2.57Å; E366-K370 IonicContact OE2-NZ 3.18Å; E366-K370 PolarHBondContact OE2-NZ 3.3Å; L368-K370 PolarHBondContact O-N 3.13Å
371	R	43.1	Very low	44.9	Very low	181 Å²	181	130.1 Å²	130.1	68%	0.683	59%	0.591	S	S	*	*	H	α-helix	trans	-81.3	-37.4	171.8	-75.7	175.7	169.4	-171.3	-1.8	113	Q367 L368 E369 K374 K375	Q367-R371 WeakPolarHBondContact O-CB 3.25Å; Q367-R371 WeakPolarHBondContact O-CG 3.38Å; Q367-R371 PolarHBondContact O-N 2.77Å; L368-R371 CarbonylContact O-C 3.55Å; L368-R371 WeakPolarHBondContact O-CA 3.28Å; L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 3.12Å; L368-R371 VanDerWaalsContact O-N 3.09Å; E369-R371 PolarHBondContact O-N 2.72Å; R371-K374 PolarHBondContact O-N 2.81Å; R371-K375 PolarHBondContact O-N 3.46Å; R371-K375 VanDerWaalsContact O-N 3.16Å
372	V	39.9	Very low	44.5	Very low	65 Å²	65	135.9 Å²	135.9	39%	0.394	61%	0.608	S	S	.	*	H	α-helix	trans	-70.9	-38.2	178.4	169.1	0	0	0	0	110.9	L368 E369 K374 K375 K376	L368-V372 WeakPolarHBondContact O-CB 3.47Å; L368-V372 VanDerWaalsContact O-CG2 3.28Å; L368-V372 WeakPolarHBondContact O-CG2 3.37Å; L368-V372 PolarHBondContact O-N 3.4Å; E369-V372 CarbonylContact O-C 3.4Å; E369-V372 PolarHBondContact O-N 2.84Å; E369-V372 VanDerWaalsContact O-N 3.1Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 2.85Å; V372-K375 CarbonylContact O-C 3.54Å; V372-K375 WeakPolarHBondContact O-CA 3.18Å; V372-K375 PolarHBondContact O-N 3.05Å; V372-K376 HydrophobicContact CG1-CD 4.3Å; V372-K376 HydrophobicContact CG1-CG 4.27Å; V372-K376 PolarHBondContact O-N 2.86Å
373	G	37.9	Very low	43.9	Very low	36 Å²	36	144.7 Å²	144.7	37%	0.371	63%	0.628	S	S	.	*	H	α-helix	trans	-59.8	-40.1	172.2	0	0	0	0	0	112.8	E369 K375 K376 K377	E369-G373 PolarHBondContact O-N 2.71Å; G373-K375 VanDerWaalsContact C-N 3.32Å; G373-K375 PolarHBondContact O-N 3.06Å; G373-K376 PolarHBondContact O-N 3.49Å; G373-K377 PolarHBondContact O-N 3.19Å
374	K	37.9	Very low	42.7	Very low	166 Å²	166	143.1 Å²	143.1	72%	0.722	65%	0.649	S	S	*	*	H	α-helix	trans	-66.5	-29.4	171.8	-73.4	-178.4	177.7	-179.9	0	112.9	R371 V372	R371-K374 PolarHBondContact O-N 2.81Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 2.85Å
375	K	35.1	Very low	41.9	Very low	153 Å²	153	142.5 Å²	142.5	67%	0.665	66%	0.662	S	S	*	*	H	α-helix	trans	-78.8	-38.1	171	-76.6	-176.5	176	178.9	0	113	R371 V372 G373 R378 R379	R371-K375 PolarHBondContact O-N 3.46Å; R371-K375 VanDerWaalsContact O-N 3.16Å; V372-K375 CarbonylContact O-C 3.54Å; V372-K375 WeakPolarHBondContact O-CA 3.18Å; V372-K375 PolarHBondContact O-N 3.05Å; G373-K375 VanDerWaalsContact C-N 3.32Å; G373-K375 PolarHBondContact O-N 3.06Å; K375-R378 CarbonylContact O-C 3.6Å; K375-R378 WeakPolarHBondContact O-CA 3.32Å; K375-R378 PolarHBondContact O-N 3.23Å; K375-R379 PolarHBondContact O-N 2.78Å
376	K	38.6	Very low	41.1	Very low	142 Å²	142	145.5 Å²	145.5	62%	0.617	68%	0.679	S	S	*	*	H	α-helix	trans	-62.3	-44.4	176	-80	-175.3	174.9	179.7	0	110.8	V372 G373 R378 R379 Q380	V372-K376 HydrophobicContact CG1-CD 4.3Å; V372-K376 HydrophobicContact CG1-CG 4.27Å; V372-K376 PolarHBondContact O-N 2.86Å; G373-K376 PolarHBondContact O-N 3.49Å; K376-R378 PolarHBondContact O-N 2.66Å; K376-R378 VanDerWaalsContact O-N 3.11Å; K376-R379 PolarHBondContact O-N 3.02Å; K376-Q380 WeakPolarHBondContact O-CB 3.42Å; K376-Q380 PolarHBondContact O-N 3.09Å
377	K	39.9	Very low	39.7	Very low	184 Å²	184	144.6 Å²	144.6	80%	0.8	69%	0.694	S	S	*	*	H	α-helix	trans	-59.8	-19.9	171.1	-82.7	-173.6	173.6	179.8	0	114.8	G373	G373-K377 PolarHBondContact O-N 3.19Å
378	R	39.6	Very low	38.6	Very low	216 Å²	216	146.5 Å²	146.5	82%	0.815	72%	0.717	S	S	*	*	H	α-helix	trans	-92.2	-20.2	171.2	-75.7	-178.8	67.1	140	-3.6	114.2	K375 K376	K375-R378 CarbonylContact O-C 3.6Å; K375-R378 WeakPolarHBondContact O-CA 3.32Å; K375-R378 PolarHBondContact O-N 3.23Å; K376-R378 PolarHBondContact O-N 2.66Å; K376-R378 VanDerWaalsContact O-N 3.11Å
379	R	38.7	Very low	37.8	Very low	198 Å²	198	149.2 Å²	149.2	75%	0.747	73%	0.732	S	S	*	*	H	α-helix	trans	-92.9	-31	176.8	-81.5	175.4	67.2	153.6	-6.8	113.2	K375 K376 K381 R382	K375-R379 PolarHBondContact O-N 2.78Å; K376-R379 PolarHBondContact O-N 3.02Å; R379-K381 PolarHBondContact O-N 3.14Å; R379-R382 CarbonylContact O-C 3.58Å; R379-R382 PolarHBondContact O-N 3.28Å
380	Q	41.1	Very low	36.8	Very low	172 Å²	172	145.9 Å²	145.9	80%	0.804	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-1.7	-177.7	-151.5	168	8.3	0	0	114.6	K376	K376-Q380 WeakPolarHBondContact O-CB 3.42Å; K376-Q380 PolarHBondContact O-N 3.09Å
381	K	40.6	Very low	35.9	Very low	194 Å²	194	149.6 Å²	149.6	84%	0.843	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	1.4	167.3	-158.8	171.1	-178.5	176.5	0	113.1	R379	R379-K381 PolarHBondContact O-N 3.14Å
382	R	41.3	Very low	35.3	Very low	208 Å²	208	148.8 Å²	148.8	79%	0.785	76%	0.764	S	S	*	*	S	Bend	trans	-143.9	118.1	178	-59.1	-177.4	84.6	159.9	3.7	110.2	R379	R379-R382 CarbonylContact O-C 3.58Å; R379-R382 PolarHBondContact O-N 3.28Å
383	R	38	Very low	34.9	Very low	241 Å²	241	153.5 Å²	153.5	91%	0.909	79%	0.786	S	S	*	*			trans	85.7	84.7	-176.4	-51	169.2	84.6	161.6	4.5	114.1
384	G	32.8	Very low	34.5	Very low	85 Å²	85	161.3 Å²	161.3	88%	0.876	81%	0.813	S	S	*	*			trans	-82.5	153.5	130.1	0	0	0	0	0	108.3
385	G	30.2	Very low	34.2	Very low	69 Å²	69	161 Å²	161	71%	0.711	82%	0.819	S	S	*	*			trans	142	91	-176	0	0	0	0	0	111.9
386	E	30.1	Very low	33.9	Very low	202 Å²	202	157.5 Å²	157.5	94%	0.944	83%	0.826	S	S	*	*			trans	51.5	134	142.9	-62.2	168.5	157.8	0	0	121.3
387	G	28.3	Very low	33.5	Very low	74 Å²	74	159.4 Å²	159.4	76%	0.763	84%	0.837	S	S	*	*				129.5	105.6	119.8	0	0	0	0	0	119
388	S	29.1	Very low	32.9	Very low	121 Å²	121	157.5 Å²	157.5	85%	0.846	84%	0.841	S	S	*	*			trans	79	137.9	141.9	-149.6	0	0	0	0	121.6
389	D	30.6	Very low	32.6	Very low	164 Å²	164	155.8 Å²	155.8	88%	0.877	84%	0.842	S	S	*	*			trans	-67.8	166.7	179.2	-47.4	-70.1	0	0	0	115.2
390	G	29	Very low	32.2	Very low	73 Å²	73	153.6 Å²	153.6	75%	0.753	85%	0.846	S	S	*	*			trans	-165.6	126.3	165.6	0	0	0	0	0	109.6
391	E	31.8	Very low	31.7	Very low	197 Å²	197	153.6 Å²	153.6	92%	0.921	85%	0.851	S	S	*	*			trans	-82	146.9	178.5	-60.6	165.6	146.6	0	0	110.2
392	D	30.7	Very low	31.3	Very low	165 Å²	165	153.6 Å²	153.6	88%	0.882	85%	0.854	S	S	*	*			trans	-124.5	145	168.7	-85.6	-44.5	0	0	0	109.6
393	L	30.8	Very low	31.1	Very low	164 Å²	164	152.9 Å²	152.9	86%	0.859	86%	0.86	S	S	*	*			trans	-85.2	154.6	-165.9	-66.5	125.9	0	0	0	113.5	D395	L393-D395 PolarHBondContact O-N 3.34Å
394	E	30.6	Very low	30.9	Very low	199 Å²	199	150.5 Å²	150.5	93%	0.93	86%	0.859	S	S	*	*			trans	-80.3	108.5	167	-69.6	179.6	137	0	0	110
395	D	30.8	Very low	31.1	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	85%	0.847	S	S	*	*			trans	-82.6	123	162.2	-78.6	-35.6	0	0	0	109.3	L393	L393-D395 PolarHBondContact O-N 3.34Å
396	G	28.8	Very low	31.7	Very low	78 Å²	78	150 Å²	150	80%	0.804	84%	0.841	S	S	*	*			trans	-125.8	96.7	172.7	0	0	0	0	0	110.1
397	E	30	Very low	32.6	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	82%	0.82	S	S	*	*			trans	-106.5	116.6	170.6	-67.9	-172.5	146.8	0	0	109.1
398	T	28.3	Very low	33.6	Very low	144 Å²	144	144 Å²	144	88%	0.883	81%	0.81	S	S	*	*			trans	-92.5	104.3	168.3	43.7	0	0	0	0	109.1
399	E	32.9	Very low	34.8	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	79%	0.794	S	S	*	*			trans	-93.4	95.1	163.7	-69.4	-172.4	151.5	0	0	109.2
400	D	29.3	Very low	35.8	Very low	153 Å²	153	142 Å²	142	82%	0.818	77%	0.772	S	S	*	*			trans	-162.7	91	170	-96.2	-37.8	0	0	0	107.5
401	D	32.1	Very low	37.2	Very low	172 Å²	172	145.7 Å²	145.7	92%	0.92	76%	0.763	S	S	*	*			trans	179.6	45.5	163.2	-98.1	-19.3	0	0	0	114
402	E	32.4	Very low	38.5	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	75%	0.75	S	S	*	*			trans	-107.7	-7.4	178.3	-72.7	-151.4	156	0	0	116.7
403	E	36.4	Very low	39.8	Very low	194 Å²	194	138 Å²	138	91%	0.907	72%	0.722	S	S	*	*	S	Bend	trans	-85.9	-16.4	-171	-70.9	-155.7	142.7	0	0	116.8
404	E	33.6	Very low	41	Very low	191 Å²	191	133.7 Å²	133.7	89%	0.893	70%	0.698	S	S	*	*	S	Bend	trans	-83.9	-12.6	-175	-65.9	-154.1	145.3	0	0	115.1	S406	E404-S406 PolarHBondContact O-N 3.39Å
405	G	37.3	Very low	42.9	Very low	60 Å²	60	128.8 Å²	128.8	62%	0.619	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-17.5	-167.2	0	0	0	0	0	117.6
406	S	43.1	Very low	44.9	Very low	83 Å²	83	126.2 Å²	126.2	58%	0.58	66%	0.656	S	S	*	*	H	α-helix	trans	-75.4	-33.2	-169.8	-169.4	0	0	0	0	113.8	E404 D408	E404-S406 PolarHBondContact O-N 3.39Å; S406-D408 PolarHBondContact O-N 3.15Å
407	G	48.5	Very low	46.6	Very low	50 Å²	50	123.6 Å²	123.6	52%	0.515	62%	0.623	S	S	.	*	H	α-helix	trans	-68.3	-36.7	-171.2	0	0	0	0	0	114.7
408	D	49.9	Very low	48.4	Very low	101 Å²	101	120.9 Å²	120.9	54%	0.54	61%	0.61	S	S	.	*	H	α-helix	trans	-86.4	-26.7	-174.7	-77.9	-25.6	0	0	0	113.6	S406 W410 R411 E412	S406-D408 PolarHBondContact O-N 3.15Å; D408-W410 VanDerWaalsContact C-N 3.32Å; D408-W410 PolarHBondContact O-N 3.14Å; D408-R411 WeakPolarHBondContact O-CB 3.33Å; D408-R411 PolarHBondContact O-N 3.43Å; D408-R411 VanDerWaalsContact O-N 3.15Å; D408-R411 IonicContact OD1-CZ 2.65Å; D408-R411 IonicContact OD1-NE 2.98Å; D408-R411 PolarHBondContact OD1-NE 3.09Å; D408-R411 IonicContact OD1-NH2 3.17Å; D408-R411 PolarHBondContact OD1-NH2 3.49Å; D408-E412 PolarHBondContact O-N 3.38Å
409	Y	54.1	Low	50.5	Low	130 Å²	130	121 Å²	121	51%	0.51	60%	0.595	S	S	.	*	H	α-helix	trans	-56.2	-44.3	174.1	-177.5	-97.8	0	0	0	112.6	Q413	Y409-Q413 HydrophobicContact CE1-CG 4.2Å; Y409-Q413 WeakPolarHBondContact O-CG 3.3Å; Y409-Q413 PolarHBondContact O-N 2.78Å; Y409-Q413 PolarHBondContact OH-NE2 2.92Å
410	W	51.3	Low	52.2	Low	112 Å²	112	115.9 Å²	115.9	42%	0.424	57%	0.571	S	S	.	*	H	α-helix	trans	-70.2	-34	178.5	-62.8	109.9	0	0	0	112.9	D408 Q414 L449	D408-W410 VanDerWaalsContact C-N 3.32Å; D408-W410 PolarHBondContact O-N 3.14Å; W410-Q414 PolarHBondContact O-N 3.15Å; W410-Q414 VanDerWaalsContact O-N 3.1Å; W410-L449 HydrophobicContact CE3-CD2 4.07Å; W410-L449 HydrophobicContact CZ3-CD2 3.63Å
411	R	58.6	Low	54	Low	151 Å²	151	111.2 Å²	111.2	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-46.8	176.4	-167.8	-164.2	-54.6	-93.9	1.1	110.7	D408 Q413 Q414 E415	D408-R411 WeakPolarHBondContact O-CB 3.33Å; D408-R411 PolarHBondContact O-N 3.43Å; D408-R411 VanDerWaalsContact O-N 3.15Å; D408-R411 IonicContact OD1-CZ 2.65Å; D408-R411 IonicContact OD1-NE 2.98Å; D408-R411 PolarHBondContact OD1-NE 3.09Å; D408-R411 IonicContact OD1-NH2 3.17Å; D408-R411 PolarHBondContact OD1-NH2 3.49Å; R411-Q413 PolarHBondContact O-N 3.42Å; R411-Q414 PolarHBondContact O-N 3.46Å; R411-E415 PolarHBondContact O-N 3.4Å
412	E	59.5	Low	55.7	Low	137 Å²	137	109 Å²	109	64%	0.64	53%	0.525	S	S	*	.	H	α-helix	trans	-62.4	-41.2	179.3	-167.9	179.4	-163.2	0	0	111.9	D408 E415 K416	D408-E412 PolarHBondContact O-N 3.38Å; E412-E415 PolarHBondContact O-N 3.25Å; E412-K416 WeakPolarHBondContact O-CB 3.31Å; E412-K416 PolarHBondContact O-N 2.94Å
413	Q	57.7	Low	57.6	Low	62 Å²	62	102.5 Å²	102.5	29%	0.29	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-36.2	176.5	-68.7	-77.5	35.8	0	0	113.1	Y409 R411 K416 L417	Y409-Q413 HydrophobicContact CE1-CG 4.2Å; Y409-Q413 WeakPolarHBondContact O-CG 3.3Å; Y409-Q413 PolarHBondContact O-N 2.78Å; Y409-Q413 PolarHBondContact OH-NE2 2.92Å; R411-Q413 PolarHBondContact O-N 3.42Å; Q413-K416 PolarHBondContact O-N 2.86Å; Q413-L417 PolarHBondContact O-N 2.84Å
414	Q	56.2	Low	59	Low	75 Å²	75	94.8 Å²	94.8	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-49.7	172.8	-79.9	-170.3	-57.7	0	0	111.3	W410 R411 K416 L417 E418	W410-Q414 PolarHBondContact O-N 3.15Å; W410-Q414 VanDerWaalsContact O-N 3.1Å; R411-Q414 PolarHBondContact O-N 3.46Å; Q414-K416 VanDerWaalsContact C-N 3.26Å; Q414-K416 PolarHBondContact O-N 3.34Å; Q414-L417 PolarHBondContact O-N 2.92Å; Q414-E418 PolarHBondContact O-N 3.48Å
415	E	70.2	Confident	60.3	Low	96 Å²	96	90.5 Å²	90.5	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-59.8	-37.4	176.7	-74.2	-166.1	-169.5	0	0	112.7	R411 E412 R419	R411-E415 PolarHBondContact O-N 3.4Å; E412-E415 PolarHBondContact O-N 3.25Å; E415-R419 WeakPolarHBondContact O-CB 3.15Å; E415-R419 PolarHBondContact O-N 3.46Å; E415-R419 PolarHBondContact O-NH1 3.3Å; E415-R419 IonicContact OE2-NH2 3.96Å; E415-R419 PolarHBondContact OE2-NH2 3.4Å
416	K	72.9	Confident	61.6	Low	106 Å²	106	93.3 Å²	93.3	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-45.2	177.5	-168.6	175.8	-176.2	177.1	0	111.9	E412 Q413 Q414 R419 E420	E412-K416 WeakPolarHBondContact O-CB 3.31Å; E412-K416 PolarHBondContact O-N 2.94Å; Q413-K416 PolarHBondContact O-N 2.86Å; Q414-K416 VanDerWaalsContact C-N 3.26Å; Q414-K416 PolarHBondContact O-N 3.34Å; K416-R419 PolarHBondContact O-N 3.31Å; K416-E420 WeakPolarHBondContact O-CB 3.48Å; K416-E420 WeakPolarHBondContact O-CG 3.34Å; K416-E420 PolarHBondContact O-N 3.08Å
417	L	63.8	Low	62.4	Low	24 Å²	24	92.9 Å²	92.9	13%	0.126	44%	0.442	C	S	.	.	H	α-helix	trans	-65.6	-38.5	176.4	-85.1	158.5	0	0	0	112.8	Q413 Q414 K421 K442 M446 L449	Q413-L417 PolarHBondContact O-N 2.84Å; Q414-L417 PolarHBondContact O-N 2.92Å; L417-K421 WeakPolarHBondContact O-CB 3.39Å; L417-K421 PolarHBondContact O-N 2.75Å; L417-K442 HydrophobicContact CD2-CD 3.81Å; L417-M446 HydrophobicContact CB-CG 4.39Å; L417-L449 HydrophobicContact CD1-CD1 3.35Å
418	E	68.6	Low	62.8	Low	124 Å²	124	99 Å²	99	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-66.6	-42.8	174	-72.6	-170.2	164.6	0	0	112.2	Q414 K421 K422 M446	Q414-E418 PolarHBondContact O-N 3.48Å; E418-K421 PolarHBondContact O-N 3.08Å; E418-K422 WeakPolarHBondContact O-CB 3.45Å; E418-K422 PolarHBondContact O-N 2.89Å; E418-M446 HydrophobicContact CG-SD 4.36Å
419	R	73.3	Confident	63	Low	147 Å²	147	99.3 Å²	99.3	56%	0.555	47%	0.467	S	S	*	.	H	α-helix	trans	-62.8	-41.6	177.1	-166.9	178.3	-64.5	110.2	-1.3	111.5	E415 K416 K422 A423	E415-R419 WeakPolarHBondContact O-CB 3.15Å; E415-R419 PolarHBondContact O-N 3.46Å; E415-R419 PolarHBondContact O-NH1 3.3Å; E415-R419 IonicContact OE2-NH2 3.96Å; E415-R419 PolarHBondContact OE2-NH2 3.4Å; K416-R419 PolarHBondContact O-N 3.31Å; R419-K422 PolarHBondContact O-N 2.85Å; R419-A423 PolarHBondContact O-N 3.39Å
420	E	68.1	Low	63.1	Low	73 Å²	73	96.2 Å²	96.2	34%	0.341	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-41.9	172.8	-73.6	176.1	-168.9	0	0	112.6	K416 K422 A423 V424 K442	K416-E420 WeakPolarHBondContact O-CB 3.48Å; K416-E420 WeakPolarHBondContact O-CG 3.34Å; K416-E420 PolarHBondContact O-N 3.08Å; E420-K422 VanDerWaalsContact C-N 3.28Å; E420-K422 PolarHBondContact O-N 2.66Å; E420-A423 PolarHBondContact O-N 3.5Å; E420-V424 WeakPolarHBondContact O-CG2 3.27Å; E420-V424 PolarHBondContact O-N 3.03Å; E420-K442 IonicContact OE2-NZ 3.27Å; E420-K442 PolarHBondContact OE2-NZ 2.85Å
421	K	66.5	Low	63.5	Low	55 Å²	55	95.5 Å²	95.5	24%	0.239	47%	0.466	C	S	.	.	H	α-helix	trans	-59.6	-41.6	175.1	-173.5	-179.3	-177	-178	0	111.2	L417 E418 L425 L439 E443 M446	L417-K421 WeakPolarHBondContact O-CB 3.39Å; L417-K421 PolarHBondContact O-N 2.75Å; E418-K421 PolarHBondContact O-N 3.08Å; K421-L425 PolarHBondContact O-N 2.79Å; K421-L425 VanDerWaalsContact O-N 3.07Å; K421-L439 HydrophobicContact CD-CD2 4.46Å; K421-L439 HydrophobicContact CG-CD2 3.85Å; K421-E443 VanDerWaalsContact NZ-CG 3.33Å; K421-E443 IonicContact NZ-OE1 3.01Å; K421-E443 PolarHBondContact NZ-OE1 3.13Å; K421-M446 HydrophobicContact CD-CE 3.77Å
422	K	68.9	Low	63.7	Low	125 Å²	125	91.9 Å²	91.9	54%	0.543	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-43.4	177.5	-172.2	173.4	174.7	180	0	112.1	E418 R419 E420 V424 L425 E426	E418-K422 WeakPolarHBondContact O-CB 3.45Å; E418-K422 PolarHBondContact O-N 2.89Å; R419-K422 PolarHBondContact O-N 2.85Å; E420-K422 VanDerWaalsContact C-N 3.28Å; E420-K422 PolarHBondContact O-N 2.66Å; K422-V424 PolarHBondContact O-N 3.47Å; K422-L425 WeakPolarHBondContact O-CB 3.35Å; K422-L425 PolarHBondContact O-N 3.29Å; K422-L425 VanDerWaalsContact O-N 3.09Å; K422-E426 WeakPolarHBondContact CE-OE1 3.47Å; K422-E426 IonicContact NZ-OE1 3.88Å; K422-E426 WeakPolarHBondContact O-CG 3.32Å; K422-E426 PolarHBondContact O-N 3.16Å
423	A	72.1	Confident	63.7	Low	56 Å²	56	93.3 Å²	93.3	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-59.2	-44.1	174.8	0	0	0	0	0	112.5	R419 E420 L425 E426 D427	R419-A423 PolarHBondContact O-N 3.39Å; E420-A423 PolarHBondContact O-N 3.5Å; A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.81Å; A423-E426 PolarHBondContact O-N 2.87Å; A423-D427 PolarHBondContact O-N 3.36Å
424	V	64.7	Low	64	Low	32 Å²	32	95.6 Å²	95.6	19%	0.194	49%	0.486	C	S	.	.	H	α-helix	trans	-65.4	-30	175.2	174.4	0	0	0	0	112.1	E420 K422 K435 L438	E420-V424 WeakPolarHBondContact O-CG2 3.27Å; E420-V424 PolarHBondContact O-N 3.03Å; K422-V424 PolarHBondContact O-N 3.47Å; V424-K435 HydrophobicContact CG1-CG 4.43Å; V424-K435 WeakPolarHBondContact O-CE 3.31Å; V424-K435 PolarHBondContact O-NZ 3.31Å; V424-L438 HydrophobicContact CG1-CB 4.2Å; V424-L438 HydrophobicContact CG1-CD1 4.49Å
425	L	61.6	Low	64.3	Low	102 Å²	102	93.7 Å²	93.7	53%	0.534	48%	0.476	S	S	.	.	H	α-helix	trans	-72.4	-36.3	174.8	-161.7	81.5	0	0	0	112.6	K421 K422 A423 K435 L439	K421-L425 PolarHBondContact O-N 2.79Å; K421-L425 VanDerWaalsContact O-N 3.07Å; K422-L425 WeakPolarHBondContact O-CB 3.35Å; K422-L425 PolarHBondContact O-N 3.29Å; K422-L425 VanDerWaalsContact O-N 3.09Å; A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.81Å; L425-K435 WeakPolarHBondContact O-CE 3.4Å; L425-K435 PolarHBondContact O-NZ 3.37Å; L425-L439 HydrophobicContact CD1-CD1 4.19Å; L425-L439 HydrophobicContact CD1-CD2 4.34Å
426	E	63.2	Low	64.3	Low	119 Å²	119	93.4 Å²	93.4	56%	0.556	48%	0.478	S	S	*	.	H	α-helix	trans	-84.3	-17.6	-177.7	-70.7	173	177.4	0	0	113.2	K422 A423 H428	K422-E426 WeakPolarHBondContact CE-OE1 3.47Å; K422-E426 IonicContact NZ-OE1 3.88Å; K422-E426 WeakPolarHBondContact O-CG 3.32Å; K422-E426 PolarHBondContact O-N 3.16Å; A423-E426 PolarHBondContact O-N 2.87Å; E426-H428 PolarHBondContact O-CD2 3.39Å; E426-H428 VanDerWaalsContact O-CD2 3.31Å; E426-H428 PolarHBondContact O-N 2.97Å
427	D	61	Low	64.5	Low	74 Å²	74	97.6 Å²	97.6	40%	0.396	49%	0.491	S	S	.	.			trans	-72	123.2	174.9	-160.5	-15.8	0	0	0	111.9	A423 S429 K435	A423-D427 PolarHBondContact O-N 3.36Å; D427-S429 VanDerWaalsContact OD1-CB 3.25Å; D427-S429 WeakPolarHBondContact OD1-CB 3.36Å; D427-S429 PolarHBondContact OD1-N 2.87Å; D427-K435 PolarHBondContact O-NZ 3.47Å
428	H	56.5	Low	64.9	Low	179 Å²	179	99.4 Å²	99.4	83%	0.829	50%	0.5	S	S	*	.			trans	-99.9	-0.4	-179.4	-74.5	-74.1	0	0	0	113.4	E426	E426-H428 PolarHBondContact O-CD2 3.39Å; E426-H428 VanDerWaalsContact O-CD2 3.31Å; E426-H428 PolarHBondContact O-N 2.97Å
429	S	55.2	Low	65.1	Low	107 Å²	107	94.7 Å²	94.7	75%	0.748	48%	0.479	S	S	*	.	S	Bend	trans	-82.5	-18.4	-177.9	-167.8	0	0	0	0	114.2	D427	D427-S429 VanDerWaalsContact OD1-CB 3.25Å; D427-S429 WeakPolarHBondContact OD1-CB 3.36Å; D427-S429 PolarHBondContact OD1-N 2.87Å
430	L	55.8	Low	65.3	Low	64 Å²	64	94.3 Å²	94.3	34%	0.335	48%	0.481	S	S	.	.	S	Bend	trans	-92.7	144.7	-170.5	-64.7	171.8	0	0	0	113.3
431	V	60.1	Low	65.8	Low	98 Å²	98	95.2 Å²	95.2	59%	0.594	49%	0.485	S	S	*	.			trans	-64.3	136.1	173.4	179.3	0	0	0	0	109.5	E433 E434 K435	V431-E433 VanDerWaalsContact C-N 3.26Å; V431-E433 PolarHBondContact O-N 3.43Å; V431-E433 VanDerWaalsContact O-N 3.13Å; V431-E434 PolarHBondContact O-N 3.4Å; V431-K435 PolarHBondContact O-N 2.84Å; V431-K435 VanDerWaalsContact O-N 3.15Å
432	A	61.2	Low	66.1	Low	74 Å²	74	94.7 Å²	94.7	61%	0.612	48%	0.483	S	S	*	.	H	α-helix	trans	-53.9	-38.4	-171.9	0	0	0	0	0	113.9	E434 K435 D436	A432-E434 PolarHBondContact O-N 3.25Å; A432-K435 PolarHBondContact O-N 3.31Å; A432-D436 WeakPolarHBondContact O-CB 3.32Å; A432-D436 PolarHBondContact O-N 3.46Å
433	E	59.1	Low	66.3	Low	167 Å²	167	93.1 Å²	93.1	78%	0.78	48%	0.478	S	S	*	.	H	α-helix	trans	-66.1	-34.9	178.6	-61.7	-172.1	152.2	0	0	113.4	V431 R437	V431-E433 VanDerWaalsContact C-N 3.26Å; V431-E433 PolarHBondContact O-N 3.43Å; V431-E433 VanDerWaalsContact O-N 3.13Å; E433-R437 WeakPolarHBondContact O-CB 3.29Å; E433-R437 PolarHBondContact O-N 3.12Å; E433-R437 VanDerWaalsContact O-N 3.13Å
434	E	64.2	Low	66.6	Low	110 Å²	110	98.8 Å²	98.8	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-75.6	-38.2	179.2	-169.2	166	-149.7	0	0	111	V431 A432 R437 L438	V431-E434 PolarHBondContact O-N 3.4Å; A432-E434 PolarHBondContact O-N 3.25Å; E434-R437 PolarHBondContact O-N 2.97Å; E434-L438 WeakPolarHBondContact O-CG 3.16Å; E434-L438 PolarHBondContact O-N 3.04Å
435	K	64	Low	66.9	Low	35 Å²	35	101.8 Å²	101.8	15%	0.152	50%	0.497	C	S	.	.	H	α-helix	trans	-59.8	-46	171.4	-174.2	167.6	-177.8	153.6	0	112.1	V424 L425 D427 V431 A432 R437 L438 L439	V424-K435 HydrophobicContact CG1-CG 4.43Å; V424-K435 WeakPolarHBondContact O-CE 3.31Å; V424-K435 PolarHBondContact O-NZ 3.31Å; L425-K435 WeakPolarHBondContact O-CE 3.4Å; L425-K435 PolarHBondContact O-NZ 3.37Å; D427-K435 PolarHBondContact O-NZ 3.47Å; V431-K435 PolarHBondContact O-N 2.84Å; V431-K435 VanDerWaalsContact O-N 3.15Å; A432-K435 PolarHBondContact O-N 3.31Å; K435-R437 VanDerWaalsContact C-N 3.33Å; K435-R437 PolarHBondContact O-N 3.45Å; K435-L438 PolarHBondContact O-N 2.91Å; K435-L439 HydrophobicContact CG-CD1 4.21Å; K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 WeakPolarHBondContact O-CG 3.29Å; K435-L439 PolarHBondContact O-N 2.86Å
436	D	69.2	Low	67.3	Low	90 Å²	90	99.3 Å²	99.3	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-36.9	176.8	-119	41.6	0	0	0	112.6	A432 K440	A432-D436 WeakPolarHBondContact O-CB 3.32Å; A432-D436 PolarHBondContact O-N 3.46Å; D436-K440 PolarHBondContact O-N 3.35Å; D436-K440 VanDerWaalsContact O-N 3.07Å; D436-K440 IonicContact OD2-NZ 3Å
437	R	76.8	Confident	67.8	Low	195 Å²	195	98.9 Å²	98.9	74%	0.736	48%	0.482	S	S	*	.	H	α-helix	trans	-66.9	-45.3	176.6	-172.1	178	-179.9	-177.8	-0.3	111.8	E433 E434 K435 K440 E441	E433-R437 WeakPolarHBondContact O-CB 3.29Å; E433-R437 PolarHBondContact O-N 3.12Å; E433-R437 VanDerWaalsContact O-N 3.13Å; E434-R437 PolarHBondContact O-N 2.97Å; K435-R437 VanDerWaalsContact C-N 3.33Å; K435-R437 PolarHBondContact O-N 3.45Å; R437-K440 PolarHBondContact O-N 2.84Å; R437-E441 PolarHBondContact O-N 3.47Å
438	L	71.9	Confident	68.3	Low	62 Å²	62	98.6 Å²	98.6	33%	0.325	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-39.8	176.6	-70.8	170.6	0	0	0	112	V424 E434 K435 E441 K442	V424-L438 HydrophobicContact CG1-CB 4.2Å; V424-L438 HydrophobicContact CG1-CD1 4.49Å; E434-L438 WeakPolarHBondContact O-CG 3.16Å; E434-L438 PolarHBondContact O-N 3.04Å; K435-L438 PolarHBondContact O-N 2.91Å; L438-E441 PolarHBondContact O-N 2.71Å; L438-K442 WeakPolarHBondContact O-CB 3.44Å; L438-K442 VanDerWaalsContact O-CG 3.3Å; L438-K442 WeakPolarHBondContact O-CG 3.23Å; L438-K442 PolarHBondContact O-N 3.34Å
439	L	73.4	Confident	68.7	Low	25 Å²	25	92 Å²	92	13%	0.131	45%	0.451	C	S	.	.	H	α-helix	trans	-59.5	-48.9	174.2	-80.6	164.2	0	0	0	111.8	K421 L425 K435 E441 K442 E443	K421-L439 HydrophobicContact CD-CD2 4.46Å; K421-L439 HydrophobicContact CG-CD2 3.85Å; L425-L439 HydrophobicContact CD1-CD1 4.19Å; L425-L439 HydrophobicContact CD1-CD2 4.34Å; K435-L439 HydrophobicContact CG-CD1 4.21Å; K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 WeakPolarHBondContact O-CG 3.29Å; K435-L439 PolarHBondContact O-N 2.86Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 3.16Å; L439-K442 PolarHBondContact O-N 3.05Å; L439-E443 WeakPolarHBondContact O-CB 3.42Å; L439-E443 WeakPolarHBondContact O-CG 3.5Å; L439-E443 PolarHBondContact O-N 3.01Å
440	K	78.4	Confident	69.5	Low	138 Å²	138	92.5 Å²	92.5	60%	0.6	44%	0.44	S	S	*	.	H	α-helix	trans	-61.9	-38	176.7	-80.5	171.7	177.4	152.7	0	113.2	D436 R437 R444	D436-K440 PolarHBondContact O-N 3.35Å; D436-K440 VanDerWaalsContact O-N 3.07Å; D436-K440 IonicContact OD2-NZ 3Å; R437-K440 PolarHBondContact O-N 2.84Å; K440-R444 WeakPolarHBondContact O-CB 3.33Å; K440-R444 PolarHBondContact O-N 2.74Å
441	E	77.6	Confident	70.2	Confident	92 Å²	92	94 Å²	94	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-41	176.9	-162.1	-167.2	129.9	0	0	112	R437 L438 L439 K445	R437-E441 PolarHBondContact O-N 3.47Å; L438-E441 PolarHBondContact O-N 2.71Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 3.16Å; E441-K445 WeakPolarHBondContact O-CG 3.41Å; E441-K445 PolarHBondContact O-N 3.04Å; E441-K445 VanDerWaalsContact O-N 3.1Å; E441-K445 IonicContact OE1-NZ 3.04Å; E441-K445 PolarHBondContact OE1-NZ 2.85Å
442	K	73.4	Confident	70.1	Confident	44 Å²	44	95 Å²	95	19%	0.191	44%	0.442	C	S	.	.	H	α-helix	trans	-69.2	-37.8	176.6	-68.7	-75.6	177.9	176.6	0	112.3	L417 E420 L438 L439 K445 M446	L417-K442 HydrophobicContact CD2-CD 3.81Å; E420-K442 IonicContact OE2-NZ 3.27Å; E420-K442 PolarHBondContact OE2-NZ 2.85Å; L438-K442 WeakPolarHBondContact O-CB 3.44Å; L438-K442 VanDerWaalsContact O-CG 3.3Å; L438-K442 WeakPolarHBondContact O-CG 3.23Å; L438-K442 PolarHBondContact O-N 3.34Å; L439-K442 PolarHBondContact O-N 3.05Å; K442-K445 PolarHBondContact O-N 3.44Å; K442-M446 PolarHBondContact O-N 3.36Å
443	E	73.1	Confident	70	Confident	92 Å²	92	97.8 Å²	97.8	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-45.3	173.9	-76.4	-178.1	162.8	0	0	112.2	K421 L439 K445 M446 E447	K421-E443 VanDerWaalsContact NZ-CG 3.33Å; K421-E443 IonicContact NZ-OE1 3.01Å; K421-E443 PolarHBondContact NZ-OE1 3.13Å; L439-E443 WeakPolarHBondContact O-CB 3.42Å; L439-E443 WeakPolarHBondContact O-CG 3.5Å; L439-E443 PolarHBondContact O-N 3.01Å; E443-K445 VanDerWaalsContact C-N 3.34Å; E443-K445 PolarHBondContact O-N 3.24Å; E443-M446 HydrophobicContact CG-CE 4.21Å; E443-M446 PolarHBondContact O-N 2.96Å; E443-E447 PolarHBondContact O-N 3.4Å
444	R	78.3	Confident	70.1	Confident	176 Å²	176	94.1 Å²	94.1	66%	0.664	42%	0.419	S	S	*	.	H	α-helix	trans	-59.2	-44.1	175.2	-173.9	175.7	177.6	175.5	1.9	112.1	K440 M446 E447 D448	K440-R444 WeakPolarHBondContact O-CB 3.33Å; K440-R444 PolarHBondContact O-N 2.74Å; R444-M446 VanDerWaalsContact C-N 3.34Å; R444-M446 PolarHBondContact O-N 3.18Å; R444-E447 PolarHBondContact O-N 3.16Å; R444-E447 VanDerWaalsContact O-N 3.16Å; R444-D448 PolarHBondContact O-N 2.81Å
445	K	71.4	Confident	69.6	Low	94 Å²	94	93.2 Å²	93.2	41%	0.409	42%	0.421	S	S	.	.	H	α-helix	trans	-61.5	-37.8	176.1	-77.7	170.8	171.9	169.4	0	113	E441 K442 E443 L449	E441-K445 WeakPolarHBondContact O-CG 3.41Å; E441-K445 PolarHBondContact O-N 3.04Å; E441-K445 VanDerWaalsContact O-N 3.1Å; E441-K445 IonicContact OE1-NZ 3.04Å; E441-K445 PolarHBondContact OE1-NZ 2.85Å; K442-K445 PolarHBondContact O-N 3.44Å; E443-K445 VanDerWaalsContact C-N 3.34Å; E443-K445 PolarHBondContact O-N 3.24Å; K445-L449 WeakPolarHBondContact O-CB 3.2Å; K445-L449 WeakPolarHBondContact O-CG 3.45Å; K445-L449 PolarHBondContact O-N 3.12Å; K445-L449 VanDerWaalsContact O-N 3.15Å
446	M	70.1	Confident	68.7	Low	50 Å²	50	93.3 Å²	93.3	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-68.6	-37.2	172.8	-73	-170.7	-62.2	0	0	112.7	L417 E418 K421 K442 E443 R444 K450	L417-M446 HydrophobicContact CB-CG 4.39Å; E418-M446 HydrophobicContact CG-SD 4.36Å; K421-M446 HydrophobicContact CD-CE 3.77Å; K442-M446 PolarHBondContact O-N 3.36Å; E443-M446 HydrophobicContact CG-CE 4.21Å; E443-M446 PolarHBondContact O-N 2.96Å; R444-M446 VanDerWaalsContact C-N 3.34Å; R444-M446 PolarHBondContact O-N 3.18Å; M446-K450 WeakPolarHBondContact O-CB 3.1Å; M446-K450 PolarHBondContact O-N 3.38Å
447	E	74.3	Confident	68	Low	111 Å²	111	93.8 Å²	93.8	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-38.9	179.3	-156.4	-164.7	149.2	0	0	112.1	E443 R444 K450 K451	E443-E447 PolarHBondContact O-N 3.4Å; R444-E447 PolarHBondContact O-N 3.16Å; R444-E447 VanDerWaalsContact O-N 3.16Å; E447-K450 PolarHBondContact O-N 3.43Å; E447-K451 VanDerWaalsContact CD-NZ 3.33Å; E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 2.9Å; E447-K451 VanDerWaalsContact O-N 3.15Å; E447-K451 WeakPolarHBondContact OE1-CE 3.44Å; E447-K451 IonicContact OE1-NZ 2.59Å; E447-K451 PolarHBondContact OE1-NZ 2.72Å
448	D	70.3	Confident	66.7	Low	68 Å²	68	90.7 Å²	90.7	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-68.2	-45.1	176.6	-67.1	-26.4	0	0	0	111	R444 K450 K451 E452	R444-D448 PolarHBondContact O-N 2.81Å; D448-K450 VanDerWaalsContact C-N 3.28Å; D448-K450 PolarHBondContact O-N 3.4Å; D448-K451 PolarHBondContact O-N 3.34Å; D448-K451 VanDerWaalsContact O-N 3.14Å; D448-K451 IonicContact OD1-NZ 3.67Å; D448-E452 PolarHBondContact O-N 3.44Å
449	L	64.5	Low	65.4	Low	41 Å²	41	92.8 Å²	92.8	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-58.1	-37.3	171.8	-81.7	166.7	0	0	0	113.1	W410 L417 K445 E452 R453	W410-L449 HydrophobicContact CE3-CD2 4.07Å; W410-L449 HydrophobicContact CZ3-CD2 3.63Å; L417-L449 HydrophobicContact CD1-CD1 3.35Å; K445-L449 WeakPolarHBondContact O-CB 3.2Å; K445-L449 WeakPolarHBondContact O-CG 3.45Å; K445-L449 PolarHBondContact O-N 3.12Å; K445-L449 VanDerWaalsContact O-N 3.15Å; L449-E452 PolarHBondContact O-N 3.17Å; L449-R453 PolarHBondContact O-N 3.25Å
450	K	71.9	Confident	64	Low	116 Å²	116	94.5 Å²	94.5	50%	0.504	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-40	177.1	-168	-173.6	179.1	-144.5	0	111.6	M446 E447 D448 R453 E454	M446-K450 WeakPolarHBondContact O-CB 3.1Å; M446-K450 PolarHBondContact O-N 3.38Å; E447-K450 PolarHBondContact O-N 3.43Å; D448-K450 VanDerWaalsContact C-N 3.28Å; D448-K450 PolarHBondContact O-N 3.4Å; K450-R453 PolarHBondContact O-N 3.37Å; K450-E454 WeakPolarHBondContact CE-OE1 3.44Å; K450-E454 IonicContact NZ-OE1 3.71Å; K450-E454 PolarHBondContact NZ-OE1 3.32Å; K450-E454 WeakPolarHBondContact O-CG 3.37Å; K450-E454 PolarHBondContact O-N 3.13Å
451	K	70.8	Confident	62.8	Low	95 Å²	95	90.9 Å²	90.9	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-42.3	175.9	-69.9	162.5	-170.9	154.9	0	111.5	E447 D448 R453 E454 V455	E447-K451 VanDerWaalsContact CD-NZ 3.33Å; E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 2.9Å; E447-K451 VanDerWaalsContact O-N 3.15Å; E447-K451 WeakPolarHBondContact OE1-CE 3.44Å; E447-K451 IonicContact OE1-NZ 2.59Å; E447-K451 PolarHBondContact OE1-NZ 2.72Å; D448-K451 PolarHBondContact O-N 3.34Å; D448-K451 VanDerWaalsContact O-N 3.14Å; D448-K451 IonicContact OD1-NZ 3.67Å; K451-R453 VanDerWaalsContact C-N 3.32Å; K451-R453 PolarHBondContact O-N 2.93Å; K451-E454 PolarHBondContact O-N 3.02Å; K451-V455 WeakPolarHBondContact O-CG2 3.48Å; K451-V455 PolarHBondContact O-N 2.74Å
452	E	57.9	Low	61.2	Low	121 Å²	121	93.2 Å²	93.2	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-59.8	-43.1	174.6	-71.5	-177.7	157.4	0	0	111.5	D448 L449 V455 G456	D448-E452 PolarHBondContact O-N 3.44Å; L449-E452 PolarHBondContact O-N 3.17Å; E452-V455 PolarHBondContact O-N 2.85Å; E452-G456 PolarHBondContact O-N 2.8Å
453	R	58.8	Low	59.8	Low	131 Å²	131	94 Å²	94	49%	0.494	47%	0.468	S	S	.	.	H	α-helix	trans	-63.2	-46.1	174.4	-178.9	178.4	165.1	177.9	-3.7	113	L449 K450 K451 V455 G456 E457	L449-R453 PolarHBondContact O-N 3.25Å; K450-R453 PolarHBondContact O-N 3.37Å; K451-R453 VanDerWaalsContact C-N 3.32Å; K451-R453 PolarHBondContact O-N 2.93Å; R453-V455 VanDerWaalsContact C-N 3.28Å; R453-V455 PolarHBondContact O-N 3.28Å; R453-G456 PolarHBondContact O-N 3.48Å; R453-G456 VanDerWaalsContact O-N 3.17Å; R453-E457 HydrophobicContact CG-CG 4.38Å; R453-E457 IonicContact CZ-OE1 2.71Å; R453-E457 VanDerWaalsContact CZ-OE1 3.23Å; R453-E457 IonicContact NE-OE1 3.07Å; R453-E457 PolarHBondContact NE-OE1 3.09Å; R453-E457 IonicContact NH2-OE1 3.75Å; R453-E457 PolarHBondContact NH2-OE1 3.13Å; R453-E457 WeakPolarHBondContact O-CG 3.49Å; R453-E457 PolarHBondContact O-N 2.85Å
454	E	62.3	Low	58.6	Low	91 Å²	91	96.7 Å²	96.7	43%	0.425	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-35.7	177.7	-74.2	173.5	-170.6	0	0	111.8	K450 K451 M458	K450-E454 WeakPolarHBondContact CE-OE1 3.44Å; K450-E454 IonicContact NZ-OE1 3.71Å; K450-E454 PolarHBondContact NZ-OE1 3.32Å; K450-E454 WeakPolarHBondContact O-CG 3.37Å; K450-E454 PolarHBondContact O-N 3.13Å; K451-E454 PolarHBondContact O-N 3.02Å; E454-M458 WeakPolarHBondContact O-CB 3.4Å; E454-M458 PolarHBondContact O-N 3.48Å; E454-M458 VanDerWaalsContact O-N 3.09Å
455	V	53.4	Low	57.4	Low	91 Å²	91	90.3 Å²	90.3	55%	0.552	46%	0.463	S	S	*	.	H	α-helix	trans	-68.7	-42.8	172.2	171.2	0	0	0	0	111.6	K451 E452 R453 M458 L459	K451-V455 WeakPolarHBondContact O-CG2 3.48Å; K451-V455 PolarHBondContact O-N 2.74Å; E452-V455 PolarHBondContact O-N 2.85Å; R453-V455 VanDerWaalsContact C-N 3.28Å; R453-V455 PolarHBondContact O-N 3.28Å; V455-M458 PolarHBondContact O-N 3.16Å; V455-L459 WeakPolarHBondContact O-CB 3.36Å; V455-L459 PolarHBondContact O-N 2.92Å
456	G	45.2	Very low	56.2	Low	36 Å²	36	91 Å²	91	37%	0.371	47%	0.469	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.1	0	0	0	0	0	113	E452 R453 L459 A460	E452-G456 PolarHBondContact O-N 2.8Å; R453-G456 PolarHBondContact O-N 3.48Å; R453-G456 VanDerWaalsContact O-N 3.17Å; G456-L459 PolarHBondContact O-N 2.81Å; G456-A460 WeakPolarHBondContact O-CB 3.48Å; G456-A460 PolarHBondContact O-N 2.84Å
457	E	54.7	Low	55.2	Low	100 Å²	100	93.9 Å²	93.9	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.7	-73.1	-179.5	-176.7	0	0	111.7	R453 A461	R453-E457 HydrophobicContact CG-CG 4.38Å; R453-E457 IonicContact CZ-OE1 2.71Å; R453-E457 VanDerWaalsContact CZ-OE1 3.23Å; R453-E457 IonicContact NE-OE1 3.07Å; R453-E457 PolarHBondContact NE-OE1 3.09Å; R453-E457 IonicContact NH2-OE1 3.75Å; R453-E457 PolarHBondContact NH2-OE1 3.13Å; R453-E457 WeakPolarHBondContact O-CG 3.49Å; R453-E457 PolarHBondContact O-N 2.85Å; E457-A461 VanDerWaalsContact O-CB 3.26Å; E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 3.04Å
458	M	48.9	Very low	54.4	Low	131 Å²	131	92.2 Å²	92.2	65%	0.645	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-39.5	171.7	-85.4	-162.3	-71.5	0	0	112.8	E454 V455 K462	E454-M458 WeakPolarHBondContact O-CB 3.4Å; E454-M458 PolarHBondContact O-N 3.48Å; E454-M458 VanDerWaalsContact O-N 3.09Å; V455-M458 PolarHBondContact O-N 3.16Å; M458-K462 VanDerWaalsContact O-CB 3.32Å; M458-K462 WeakPolarHBondContact O-CB 3.46Å; M458-K462 PolarHBondContact O-N 3.46Å
459	L	43.8	Very low	53.9	Low	106 Å²	106	93.1 Å²	93.1	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-67.6	-46.3	178.4	-173.9	62.5	0	0	0	110.9	V455 G456 A461 K462 V463	V455-L459 WeakPolarHBondContact O-CB 3.36Å; V455-L459 PolarHBondContact O-N 2.92Å; G456-L459 PolarHBondContact O-N 2.81Å; L459-A461 PolarHBondContact O-N 3.41Å; L459-K462 CarbonylContact O-C 3.58Å; L459-K462 WeakPolarHBondContact O-CA 3.25Å; L459-K462 WeakPolarHBondContact O-CB 3.23Å; L459-K462 PolarHBondContact O-N 3Å; L459-K462 VanDerWaalsContact O-N 3.11Å; L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 2.86Å
460	A	45.2	Very low	53.5	Low	61 Å²	61	94 Å²	94	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-43.1	175.7	0	0	0	0	0	112.1	G456 K462 V463 K464	G456-A460 WeakPolarHBondContact O-CB 3.48Å; G456-A460 PolarHBondContact O-N 2.84Å; A460-K462 VanDerWaalsContact C-N 3.28Å; A460-K462 PolarHBondContact O-N 3.12Å; A460-V463 PolarHBondContact O-N 3Å; A460-K464 WeakPolarHBondContact O-CB 3.34Å; A460-K464 PolarHBondContact O-N 3.24Å
461	A	51.9	Low	52.9	Low	62 Å²	62	90 Å²	90	51%	0.512	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-37.3	173.6	0	0	0	0	0	112.1	E457 L459 A465	E457-A461 VanDerWaalsContact O-CB 3.26Å; E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 3.04Å; L459-A461 PolarHBondContact O-N 3.41Å; A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 3.13Å
462	K	43.9	Very low	52.2	Low	141 Å²	141	90 Å²	90	61%	0.613	48%	0.48	S	S	*	.	H	α-helix	trans	-69.7	-41.3	175.9	-170	179.2	-179.3	-174.9	0	112.1	M458 L459 A460 A465 M466	M458-K462 VanDerWaalsContact O-CB 3.32Å; M458-K462 WeakPolarHBondContact O-CB 3.46Å; M458-K462 PolarHBondContact O-N 3.46Å; L459-K462 CarbonylContact O-C 3.58Å; L459-K462 WeakPolarHBondContact O-CA 3.25Å; L459-K462 WeakPolarHBondContact O-CB 3.23Å; L459-K462 PolarHBondContact O-N 3Å; L459-K462 VanDerWaalsContact O-N 3.11Å; A460-K462 VanDerWaalsContact C-N 3.28Å; A460-K462 PolarHBondContact O-N 3.12Å; K462-A465 CarbonylContact O-C 3.59Å; K462-A465 PolarHBondContact O-N 3.42Å; K462-M466 WeakPolarHBondContact O-CG 3.18Å; K462-M466 PolarHBondContact O-N 2.99Å
463	V	44.8	Very low	51.8	Low	59 Å²	59	85.1 Å²	85.1	36%	0.358	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-51.4	175.1	168.8	0	0	0	0	110.4	L459 A460 A465 M466 E467	L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 2.86Å; A460-V463 PolarHBondContact O-N 3Å; V463-A465 PolarHBondContact O-N 3.07Å; V463-M466 CarbonylContact O-C 3.58Å; V463-M466 WeakPolarHBondContact O-CA 3.5Å; V463-M466 WeakPolarHBondContact O-CB 3.35Å; V463-M466 PolarHBondContact O-N 3.41Å; V463-E467 HydrophobicContact CG1-CG 4.39Å; V463-E467 VanDerWaalsContact CG1-OE1 3.28Å; V463-E467 WeakPolarHBondContact CG1-OE1 3.3Å; V463-E467 PolarHBondContact O-N 2.8Å
464	K	49.2	Very low	51.4	Low	150 Å²	150	81.7 Å²	81.7	65%	0.652	47%	0.468	S	S	*	.	H	α-helix	trans	-58.9	-33.7	174.9	-165.7	167.2	-171.2	161.7	0	113.3	A460 M466 E467 S468	A460-K464 WeakPolarHBondContact O-CB 3.34Å; A460-K464 PolarHBondContact O-N 3.24Å; K464-M466 VanDerWaalsContact C-N 3.32Å; K464-E467 WeakPolarHBondContact CA-OE2 3.33Å; K464-S468 WeakPolarHBondContact O-CB 3.37Å; K464-S468 PolarHBondContact O-N 2.78Å; K464-S468 VanDerWaalsContact O-N 3.11Å; K464-S468 PolarHBondContact O-OG 2.91Å
465	A	51.7	Low	50.6	Low	42 Å²	42	86.6 Å²	86.6	35%	0.347	49%	0.487	S	S	.	.	H	α-helix	trans	-75.8	-13	172.5	0	0	0	0	0	114.3	A461 K462 V463 K469	A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 3.13Å; K462-A465 CarbonylContact O-C 3.59Å; K462-A465 PolarHBondContact O-N 3.42Å; V463-A465 PolarHBondContact O-N 3.07Å; A465-K469 VanDerWaalsContact O-CD 3.24Å; A465-K469 WeakPolarHBondContact O-CD 3.46Å; A465-K469 WeakPolarHBondContact O-CE 3.47Å; A465-K469 WeakPolarHBondContact O-CG 3.34Å; A465-K469 PolarHBondContact O-NZ 3.49Å
466	M	46.7	Very low	50.1	Low	107 Å²	107	89.3 Å²	89.3	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-91.3	-44.6	168	-66.6	-158.2	-53.5	0	0	111.5	K462 V463 K464 S468 K469 L470	K462-M466 WeakPolarHBondContact O-CG 3.18Å; K462-M466 PolarHBondContact O-N 2.99Å; V463-M466 CarbonylContact O-C 3.58Å; V463-M466 WeakPolarHBondContact O-CA 3.5Å; V463-M466 WeakPolarHBondContact O-CB 3.35Å; V463-M466 PolarHBondContact O-N 3.41Å; K464-M466 VanDerWaalsContact C-N 3.32Å; M466-S468 VanDerWaalsContact C-N 3.32Å; M466-S468 PolarHBondContact O-N 3.03Å; M466-K469 WeakPolarHBondContact O-CA 3.45Å; M466-K469 VanDerWaalsContact O-CB 3.31Å; M466-K469 WeakPolarHBondContact O-CB 3.49Å; M466-K469 PolarHBondContact O-N 2.98Å; M466-L470 PolarHBondContact O-N 3.48Å
467	E	49.8	Very low	50.2	Low	112 Å²	112	95.2 Å²	95.2	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-53	-48	174.1	-70	165	-179	0	0	111.8	V463 K464 K469 L470	V463-E467 HydrophobicContact CG1-CG 4.39Å; V463-E467 VanDerWaalsContact CG1-OE1 3.28Å; V463-E467 WeakPolarHBondContact CG1-OE1 3.3Å; V463-E467 PolarHBondContact O-N 2.8Å; K464-E467 WeakPolarHBondContact CA-OE2 3.33Å; E467-K469 PolarHBondContact O-N 3.4Å; E467-L470 WeakPolarHBondContact O-CB 3.49Å; E467-L470 PolarHBondContact O-N 3.35Å
468	S	57.1	Low	49.8	Very low	76 Å²	76	93.3 Å²	93.3	53%	0.531	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-6.8	176	59.7	0	0	0	0	114.8	K184 K464 M466	K184-S468 PolarHBondContact NZ-O 3.1Å; K464-S468 WeakPolarHBondContact O-CB 3.37Å; K464-S468 PolarHBondContact O-N 2.78Å; K464-S468 VanDerWaalsContact O-N 3.11Å; K464-S468 PolarHBondContact O-OG 2.91Å; M466-S468 VanDerWaalsContact C-N 3.32Å; M466-S468 PolarHBondContact O-N 3.03Å
469	K	58.9	Low	49.9	Very low	86 Å²	86	93.8 Å²	93.8	37%	0.374	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-13.1	172.8	-63.9	169.2	-174.9	154.1	0	113.5	V182 A465 M466 E467	V182-K469 HydrophobicContact CG1-CB 4.31Å; A465-K469 VanDerWaalsContact O-CD 3.24Å; A465-K469 WeakPolarHBondContact O-CD 3.46Å; A465-K469 WeakPolarHBondContact O-CE 3.47Å; A465-K469 WeakPolarHBondContact O-CG 3.34Å; A465-K469 PolarHBondContact O-NZ 3.49Å; M466-K469 WeakPolarHBondContact O-CA 3.45Å; M466-K469 VanDerWaalsContact O-CB 3.31Å; M466-K469 WeakPolarHBondContact O-CB 3.49Å; M466-K469 PolarHBondContact O-N 2.98Å; E467-K469 PolarHBondContact O-N 3.4Å
470	L	57.7	Low	49.7	Very low	61 Å²	61	94.8 Å²	94.8	32%	0.319	52%	0.522	S	S	.	.	S	Bend	trans	-73.7	133.7	176	-61.7	171.9	0	0	0	109.5	L138 M466 E467	L138-L470 HydrophobicContact CB-CD2 4.13Å; M466-L470 PolarHBondContact O-N 3.48Å; E467-L470 WeakPolarHBondContact O-CB 3.49Å; E467-L470 PolarHBondContact O-N 3.35Å
471	L	58.8	Low	50.1	Low	32 Å²	32	94.7 Å²	94.7	17%	0.168	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.3	175.4	-64.3	168.2	0	0	0	108.2	F126 I129 Y137 V139 K184	F126-L471 HydrophobicContact CD1-CD1 4.27Å; F126-L471 HydrophobicContact CE1-CD1 3.79Å; I129-L471 HydrophobicContact CD1-CD1 4.33Å; I129-L471 HydrophobicContact CG2-CB 3.71Å; I129-L471 HydrophobicContact CG2-CD1 4.06Å; Y137-L471 PolarHBondContact N-O 3.45Å; Y137-L471 WeakPolarHBondContact O-CB 3.47Å; Y137-L471 PolarHBondContact O-N 2.87Å; V139-L471 HydrophobicContact CG2-CD1 4.44Å; K184-L471 HydrophobicContact CB-CD2 3.97Å; K184-L471 HydrophobicContact CG-CD2 4.42Å; K184-L471 WeakPolarHBondContact O-CD2 3.45Å
472	V	56.6	Low	50.2	Low	94 Å²	94	95 Å²	95	57%	0.57	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.4	171	-174.4	0	0	0	0	107.7	Q136	Q136-V472 HydrophobicContact CG-CG2 4.39Å
473	G	48.5	Very low	50.7	Low	18 Å²	18	93.8 Å²	93.8	19%	0.186	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	148.7	176.6	0	0	0	0	0	112.2	I129 S132	I129-G473 WeakPolarHBondContact O-CA 3.33Å; S132-G473 WeakPolarHBondContact O-CA 3.42Å
474	G	50.5	Low	51	Low	60 Å²	60	96.4 Å²	96.4	62%	0.619	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-0.7	172.4	0	0	0	0	0	118.3	N476	G474-N476 PolarHBondContact O-N 3.13Å
475	K	45.4	Very low	51.2	Low	193 Å²	193	93.4 Å²	93.4	84%	0.839	50%	0.501	S	S	*	.	S	Bend	trans	-97	92.7	174.9	-78.2	-177.7	179.2	172.3	0	113.8
476	N	42.1	Very low	51.7	Low	148 Å²	148	99.8 Å²	99.8	79%	0.791	52%	0.517	S	S	*	.	S	Bend	trans	83.3	133.5	162.3	-63.3	-25.5	0	0	0	119.5	G474	G474-N476 PolarHBondContact O-N 3.13Å
477	I	47.9	Very low	52.5	Low	160 Å²	160	100.7 Å²	100.7	82%	0.821	52%	0.521	S	S	*	.			trans	60.3	125.1	175	-8.3	-178.2	0	0	0	112.4
478	V	47.4	Very low	53.1	Low	60 Å²	60	99.7 Å²	99.7	36%	0.364	52%	0.519	S	S	.	.			cis	-164.7	129.3	40.2	-167.5	0	0	0	0	110.2	T481 N482	V478-T481 WeakPolarHBondContact CB-OG1 3.44Å; V478-T481 HydrophobicContact CG1-CG2 4.06Å; V478-T481 WeakPolarHBondContact CG1-OG1 3.3Å; V478-N482 PolarHBondContact O-ND2 2.82Å
479	D	49.6	Very low	53.6	Low	141 Å²	141	99.4 Å²	99.4	75%	0.754	51%	0.509	S	S	*	.	H	α-helix	trans	-76.5	-36.6	172.8	-68.1	-45.9	0	0	0	113.1	N482 E483	D479-N482 WeakPolarHBondContact O-CB 3.34Å; D479-N482 PolarHBondContact O-N 2.77Å; D479-E483 PolarHBondContact O-N 3.39Å
480	H	41.1	Very low	54.1	Low	128 Å²	128	100.2 Å²	100.2	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-76.8	-30.7	-172	-154.5	53.1	0	0	0	114.6	E483 Q484	H480-E483 IonicContact ND1-OE2 2.82Å; H480-Q484 PolarHBondContact O-N 3.26Å
481	T	52.8	Low	54.4	Low	58 Å²	58	105.5 Å²	105.5	36%	0.356	53%	0.532	S	S	.	.	H	α-helix	trans	-75.8	-28.5	169.3	56.5	0	0	0	0	111.6	V478 E483 Q484 Q485	V478-T481 WeakPolarHBondContact CB-OG1 3.44Å; V478-T481 HydrophobicContact CG1-CG2 4.06Å; V478-T481 WeakPolarHBondContact CG1-OG1 3.3Å; T481-E483 VanDerWaalsContact C-N 3.31Å; T481-E483 PolarHBondContact O-N 2.98Å; T481-Q484 PolarHBondContact O-N 2.83Å; T481-Q485 VanDerWaalsContact O-CB 3.24Å; T481-Q485 WeakPolarHBondContact O-CB 3.28Å; T481-Q485 WeakPolarHBondContact O-CG 3.35Å; T481-Q485 PolarHBondContact O-N 2.88Å
482	N	54.8	Low	54.5	Low	70 Å²	70	108.2 Å²	108.2	37%	0.374	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-36.4	174	-78.9	-17.7	0	0	0	111.7	V478 D479 R486	V478-N482 PolarHBondContact O-ND2 2.82Å; D479-N482 WeakPolarHBondContact O-CB 3.34Å; D479-N482 PolarHBondContact O-N 2.77Å; N482-R486 VanDerWaalsContact O-CB 3.28Å; N482-R486 WeakPolarHBondContact O-CB 3.48Å; N482-R486 WeakPolarHBondContact O-CG 3.48Å; N482-R486 PolarHBondContact O-N 2.94Å
483	E	53	Low	54.9	Low	114 Å²	114	109.7 Å²	109.7	53%	0.533	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-47.1	172.6	-70.7	-173.7	134.9	0	0	112.9	D479 H480 T481 Q485 R486 M487	D479-E483 PolarHBondContact O-N 3.39Å; H480-E483 IonicContact ND1-OE2 2.82Å; T481-E483 VanDerWaalsContact C-N 3.31Å; T481-E483 PolarHBondContact O-N 2.98Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 3.02Å; E483-R486 PolarHBondContact O-N 2.84Å; E483-M487 PolarHBondContact O-N 3.38Å
484	Q	51.1	Low	55.9	Low	114 Å²	114	114.6 Å²	114.6	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-39	176.6	-71.6	-172.9	-8.3	0	0	112.1	H480 T481 M487 L488	H480-Q484 PolarHBondContact O-N 3.26Å; T481-Q484 PolarHBondContact O-N 2.83Å; Q484-M487 PolarHBondContact O-N 2.76Å; Q484-L488 WeakPolarHBondContact O-CG 3.4Å; Q484-L488 PolarHBondContact O-N 2.92Å
485	Q	53.2	Low	56.7	Low	87 Å²	87	116.2 Å²	116.2	41%	0.407	55%	0.553	S	S	.	*	H	α-helix	trans	-74.1	-35.1	176.9	-72.5	-179.4	-21.6	0	0	112.3	T481 E483 M487 L488 E489	T481-Q485 VanDerWaalsContact O-CB 3.24Å; T481-Q485 WeakPolarHBondContact O-CB 3.28Å; T481-Q485 WeakPolarHBondContact O-CG 3.35Å; T481-Q485 PolarHBondContact O-N 2.88Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 3.02Å; Q485-M487 VanDerWaalsContact C-N 3.33Å; Q485-M487 PolarHBondContact O-N 2.9Å; Q485-L488 CarbonylContact O-C 3.59Å; Q485-L488 PolarHBondContact O-N 3.43Å; Q485-L488 VanDerWaalsContact O-N 3.15Å; Q485-E489 WeakPolarHBondContact O-CG 3.39Å; Q485-E489 PolarHBondContact O-N 2.79Å
486	R	63.8	Low	57.5	Low	177 Å²	177	109.8 Å²	109.8	67%	0.668	54%	0.536	S	S	*	.	H	α-helix	trans	-59.7	-41.6	168.7	-89.4	-179	170.6	161.1	-0.8	112.2	N482 E483 L488 E489 L490	N482-R486 VanDerWaalsContact O-CB 3.28Å; N482-R486 WeakPolarHBondContact O-CB 3.48Å; N482-R486 WeakPolarHBondContact O-CG 3.48Å; N482-R486 PolarHBondContact O-N 2.94Å; E483-R486 PolarHBondContact O-N 2.84Å; R486-L488 VanDerWaalsContact C-N 3.33Å; R486-E489 PolarHBondContact O-N 2.96Å; R486-L490 WeakPolarHBondContact O-CB 3.37Å; R486-L490 PolarHBondContact O-N 3.17Å
487	M	62.2	Low	58.8	Low	125 Å²	125	109.4 Å²	109.4	62%	0.616	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-37.8	173.4	-85.1	-175.6	-88.7	0	0	112.3	E483 Q484 Q485 R491	E483-M487 PolarHBondContact O-N 3.38Å; Q484-M487 PolarHBondContact O-N 2.76Å; Q485-M487 VanDerWaalsContact C-N 3.33Å; Q485-M487 PolarHBondContact O-N 2.9Å; M487-R491 VanDerWaalsContact O-CB 3.31Å; M487-R491 WeakPolarHBondContact O-CB 3.29Å; M487-R491 PolarHBondContact O-N 3.42Å; M487-R491 VanDerWaalsContact O-N 3.08Å
488	L	63.5	Low	59.6	Low	92 Å²	92	107.3 Å²	107.3	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-40.2	172.8	-71.4	166.6	0	0	0	112	Q484 Q485 R486 R491 R492	Q484-L488 WeakPolarHBondContact O-CG 3.4Å; Q484-L488 PolarHBondContact O-N 2.92Å; Q485-L488 CarbonylContact O-C 3.59Å; Q485-L488 PolarHBondContact O-N 3.43Å; Q485-L488 VanDerWaalsContact O-N 3.15Å; R486-L488 VanDerWaalsContact C-N 3.33Å; L488-R491 PolarHBondContact O-N 3Å; L488-R492 VanDerWaalsContact O-CB 3.31Å; L488-R492 WeakPolarHBondContact O-CB 3.08Å; L488-R492 WeakPolarHBondContact O-CD 3.49Å; L488-R492 WeakPolarHBondContact O-CG 3.36Å; L488-R492 PolarHBondContact O-N 2.88Å
489	E	66.6	Low	60.4	Low	69 Å²	69	108.5 Å²	108.5	32%	0.322	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-44.8	176.7	-76.1	-171.9	136.2	0	0	112.3	R131 Q485 R486 R491 R492 Q493	R131-E489 IonicContact CZ-OE1 3.76Å; R131-E489 IonicContact NH1-OE1 3.9Å; R131-E489 PolarHBondContact NH1-OE1 2.84Å; R131-E489 IonicContact NH1-OE2 3.65Å; R131-E489 PolarHBondContact NH1-OE2 3.46Å; R131-E489 IonicContact NH2-OE1 3.08Å; Q485-E489 WeakPolarHBondContact O-CG 3.39Å; Q485-E489 PolarHBondContact O-N 2.79Å; R486-E489 PolarHBondContact O-N 2.96Å; E489-R491 PolarHBondContact O-N 2.87Å; E489-R492 CarbonylContact O-C 3.59Å; E489-R492 WeakPolarHBondContact O-CB 3.15Å; E489-R492 PolarHBondContact O-N 3.38Å; E489-Q493 WeakPolarHBondContact O-CG 3.46Å; E489-Q493 PolarHBondContact O-N 3.35Å
490	L	70.4	Confident	61.1	Low	103 Å²	103	105.9 Å²	105.9	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-56	-51.1	172	-91.9	156.1	0	0	0	111	R486 R492 Q493 E494	R486-L490 WeakPolarHBondContact O-CB 3.37Å; R486-L490 PolarHBondContact O-N 3.17Å; L490-R492 VanDerWaalsContact C-N 3.25Å; L490-R492 PolarHBondContact O-N 2.87Å; L490-Q493 WeakPolarHBondContact O-CB 3.39Å; L490-Q493 PolarHBondContact O-N 2.78Å; L490-Q493 VanDerWaalsContact O-N 3.12Å; L490-E494 WeakPolarHBondContact O-CG 3.37Å; L490-E494 PolarHBondContact O-N 3.23Å
491	R	63.6	Low	62.1	Low	172 Å²	172	102.5 Å²	102.5	65%	0.649	50%	0.5	S	S	*	.	H	α-helix	trans	-64.4	-29.1	178.8	-161.6	175.2	-170.5	-179.1	3.2	113	M487 L488 E489 I495	M487-R491 VanDerWaalsContact O-CB 3.31Å; M487-R491 WeakPolarHBondContact O-CB 3.29Å; M487-R491 PolarHBondContact O-N 3.42Å; M487-R491 VanDerWaalsContact O-N 3.08Å; L488-R491 PolarHBondContact O-N 3Å; E489-R491 PolarHBondContact O-N 2.87Å; R491-I495 WeakPolarHBondContact O-CD1 3.23Å; R491-I495 VanDerWaalsContact O-CG1 3.23Å; R491-I495 WeakPolarHBondContact O-CG1 3.37Å; R491-I495 PolarHBondContact O-N 2.97Å; R491-I495 VanDerWaalsContact O-N 3.16Å
492	R	60	Low	62.6	Low	89 Å²	89	105 Å²	105	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-75	-37.3	173	-74.7	159.4	178.7	-112	-14.5	112.1	D73 L488 E489 L490 I495 A496	D73-R492 IonicContact OD1-CZ 3.63Å; D73-R492 IonicContact OD1-NH1 3.86Å; D73-R492 PolarHBondContact OD1-NH1 2.69Å; D73-R492 IonicContact OD1-NH2 3.94Å; D73-R492 IonicContact OD2-CZ 3.62Å; D73-R492 IonicContact OD2-NH1 3.44Å; D73-R492 PolarHBondContact OD2-NH1 2.97Å; D73-R492 VanDerWaalsContact OD2-NH1 3.1Å; D73-R492 IonicContact OD2-NH2 3.32Å; D73-R492 PolarHBondContact OD2-NH2 3.12Å; L488-R492 VanDerWaalsContact O-CB 3.31Å; L488-R492 WeakPolarHBondContact O-CB 3.08Å; L488-R492 WeakPolarHBondContact O-CD 3.49Å; L488-R492 WeakPolarHBondContact O-CG 3.36Å; L488-R492 PolarHBondContact O-N 2.88Å; E489-R492 CarbonylContact O-C 3.59Å; E489-R492 WeakPolarHBondContact O-CB 3.15Å; E489-R492 PolarHBondContact O-N 3.38Å; L490-R492 VanDerWaalsContact C-N 3.25Å; L490-R492 PolarHBondContact O-N 2.87Å; R492-I495 PolarHBondContact O-N 3.47Å; R492-A496 WeakPolarHBondContact O-CB 3.24Å; R492-A496 PolarHBondContact O-N 3.02Å
493	Q	65.9	Low	62.7	Low	126 Å²	126	104.3 Å²	104.3	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-64.6	-43.8	172.7	-76.3	179.5	-11.9	0	0	110.7	E489 L490 I495 A496 E497	E489-Q493 WeakPolarHBondContact O-CG 3.46Å; E489-Q493 PolarHBondContact O-N 3.35Å; L490-Q493 WeakPolarHBondContact O-CB 3.39Å; L490-Q493 PolarHBondContact O-N 2.78Å; L490-Q493 VanDerWaalsContact O-N 3.12Å; Q493-I495 PolarHBondContact O-N 3.4Å; Q493-A496 PolarHBondContact O-N 3.47Å; Q493-E497 WeakPolarHBondContact O-CB 3.27Å; Q493-E497 WeakPolarHBondContact O-CG 3.17Å; Q493-E497 PolarHBondContact O-N 3.41Å
494	E	68.7	Low	63.2	Low	121 Å²	121	104.6 Å²	104.6	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-55.4	-47.9	171.7	-71	173.7	166.8	0	0	111.7	L490 E497 Q498	L490-E494 WeakPolarHBondContact O-CG 3.37Å; L490-E494 PolarHBondContact O-N 3.23Å; E494-E497 PolarHBondContact O-N 3.37Å; E494-Q498 VanDerWaalsContact O-CB 3.23Å; E494-Q498 WeakPolarHBondContact O-CB 3.47Å; E494-Q498 PolarHBondContact O-N 3.05Å
495	I	67.4	Low	63.7	Low	93 Å²	93	104.8 Å²	104.8	48%	0.477	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-42.8	176.2	-68.9	163.3	0	0	0	111.3	R491 R492 Q493 Q498 V499	R491-I495 WeakPolarHBondContact O-CD1 3.23Å; R491-I495 VanDerWaalsContact O-CG1 3.23Å; R491-I495 WeakPolarHBondContact O-CG1 3.37Å; R491-I495 PolarHBondContact O-N 2.97Å; R491-I495 VanDerWaalsContact O-N 3.16Å; R492-I495 PolarHBondContact O-N 3.47Å; Q493-I495 PolarHBondContact O-N 3.4Å; I495-Q498 PolarHBondContact O-N 3.19Å; I495-V499 HydrophobicContact CG2-CG2 4.35Å; I495-V499 WeakPolarHBondContact O-CB 3.27Å; I495-V499 WeakPolarHBondContact O-CG2 3.33Å; I495-V499 PolarHBondContact O-N 2.86Å
496	A	63.1	Low	64.1	Low	59 Å²	59	104.4 Å²	104.4	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-66.5	-40.3	179.4	0	0	0	0	0	112.2	R492 Q493 N500	R492-A496 WeakPolarHBondContact O-CB 3.24Å; R492-A496 PolarHBondContact O-N 3.02Å; Q493-A496 PolarHBondContact O-N 3.47Å; A496-N500 WeakPolarHBondContact O-CB 3.23Å; A496-N500 PolarHBondContact O-N 3.44Å
497	E	68.5	Low	63.9	Low	140 Å²	140	102.1 Å²	102.1	65%	0.654	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-37.7	172.7	-73.7	-166.8	162.5	0	0	111.9	Q493 E494 S501	Q493-E497 WeakPolarHBondContact O-CB 3.27Å; Q493-E497 WeakPolarHBondContact O-CG 3.17Å; Q493-E497 PolarHBondContact O-N 3.41Å; E494-E497 PolarHBondContact O-N 3.37Å; E497-S501 WeakPolarHBondContact O-CB 3.49Å; E497-S501 PolarHBondContact O-N 2.78Å; E497-S501 PolarHBondContact O-OG 3.31Å
498	Q	64.8	Low	63.8	Low	116 Å²	116	102.6 Å²	102.6	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-49.7	174.9	-169.4	170.1	13.8	0	0	110.9	E494 I495 N500 S501 E502	E494-Q498 VanDerWaalsContact O-CB 3.23Å; E494-Q498 WeakPolarHBondContact O-CB 3.47Å; E494-Q498 PolarHBondContact O-N 3.05Å; I495-Q498 PolarHBondContact O-N 3.19Å; Q498-N500 PolarHBondContact O-N 3.39Å; Q498-S501 CarbonylContact O-C 3.58Å; Q498-S501 PolarHBondContact O-N 2.84Å; Q498-E502 WeakPolarHBondContact O-CB 3.49Å; Q498-E502 WeakPolarHBondContact O-CG 3.24Å; Q498-E502 PolarHBondContact O-N 3.29Å
499	V	65.4	Low	63.4	Low	84 Å²	84	104.2 Å²	104.2	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.5	170.7	0	0	0	0	112	I495 S501 E502 S503	I495-V499 HydrophobicContact CG2-CG2 4.35Å; I495-V499 WeakPolarHBondContact O-CB 3.27Å; I495-V499 WeakPolarHBondContact O-CG2 3.33Å; I495-V499 PolarHBondContact O-N 2.86Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-E502 PolarHBondContact O-N 2.9Å; V499-S503 VanDerWaalsContact O-CB 3.29Å; V499-S503 WeakPolarHBondContact O-CB 3.25Å; V499-S503 PolarHBondContact O-N 3.33Å
500	N	63.4	Low	63	Low	87 Å²	87	106.1 Å²	106.1	47%	0.465	52%	0.519	S	S	.	.	H	α-helix	trans	-71.3	-31.9	178	-161.2	-0.8	0	0	0	111.5	A496 Q498 K504	A496-N500 WeakPolarHBondContact O-CB 3.23Å; A496-N500 PolarHBondContact O-N 3.44Å; Q498-N500 PolarHBondContact O-N 3.39Å; N500-K504 WeakPolarHBondContact O-CB 3.47Å; N500-K504 VanDerWaalsContact O-CG 3.29Å; N500-K504 WeakPolarHBondContact O-CG 3.44Å; N500-K504 PolarHBondContact O-N 3.17Å
501	S	61.9	Low	62.3	Low	57 Å²	57	103.6 Å²	103.6	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-71.2	-41.5	171.2	-61.7	0	0	0	0	111.9	E497 Q498 V499 S503 K504 Q505	E497-S501 WeakPolarHBondContact O-CB 3.49Å; E497-S501 PolarHBondContact O-N 2.78Å; E497-S501 PolarHBondContact O-OG 3.31Å; Q498-S501 CarbonylContact O-C 3.58Å; Q498-S501 PolarHBondContact O-N 2.84Å; V499-S501 VanDerWaalsContact C-N 3.34Å; S501-S503 VanDerWaalsContact C-N 3.34Å; S501-K504 PolarHBondContact O-N 2.98Å; S501-Q505 WeakPolarHBondContact O-CB 3.35Å; S501-Q505 VanDerWaalsContact O-CG 3.23Å; S501-Q505 WeakPolarHBondContact O-CG 3.49Å; S501-Q505 PolarHBondContact O-N 2.82Å
502	E	63.4	Low	61.8	Low	109 Å²	109	103.4 Å²	103.4	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-40.1	172.2	-76.8	-177.2	-176.9	0	0	111.3	Q498 V499 Q505 K506	Q498-E502 WeakPolarHBondContact O-CB 3.49Å; Q498-E502 WeakPolarHBondContact O-CG 3.24Å; Q498-E502 PolarHBondContact O-N 3.29Å; V499-E502 PolarHBondContact O-N 2.9Å; E502-Q505 CarbonylContact O-C 3.59Å; E502-Q505 PolarHBondContact O-N 2.58Å; E502-K506 VanDerWaalsContact O-CB 3.3Å; E502-K506 WeakPolarHBondContact O-CB 3.3Å; E502-K506 PolarHBondContact O-N 2.83Å
503	S	56.5	Low	61.6	Low	57 Å²	57	104.1 Å²	104.1	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-42	175.7	-172	0	0	0	0	112.2	V499 S501 K506 Q507	V499-S503 VanDerWaalsContact O-CB 3.29Å; V499-S503 WeakPolarHBondContact O-CB 3.25Å; V499-S503 PolarHBondContact O-N 3.33Å; S501-S503 VanDerWaalsContact C-N 3.34Å; S503-K506 WeakPolarHBondContact O-CB 3.49Å; S503-K506 PolarHBondContact O-N 3.3Å; S503-Q507 PolarHBondContact O-N 3.37Å
504	K	64.3	Low	61.1	Low	120 Å²	120	104.6 Å²	104.6	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-65.3	-41	171.6	-74.2	169	-175	171	0	112.2	N500 S501 K506 Q507 Q508	N500-K504 WeakPolarHBondContact O-CB 3.47Å; N500-K504 VanDerWaalsContact O-CG 3.29Å; N500-K504 WeakPolarHBondContact O-CG 3.44Å; N500-K504 PolarHBondContact O-N 3.17Å; S501-K504 PolarHBondContact O-N 2.98Å; K504-K506 VanDerWaalsContact C-N 3.3Å; K504-K506 PolarHBondContact O-N 3.26Å; K504-Q507 PolarHBondContact O-N 3.2Å; K504-Q508 WeakPolarHBondContact O-CB 3.15Å; K504-Q508 WeakPolarHBondContact O-CG 3.15Å; K504-Q508 PolarHBondContact O-N 2.92Å
505	Q	61.8	Low	60.4	Low	118 Å²	118	103.9 Å²	103.9	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-64.8	-34.9	173.7	-75.4	174.9	13.1	0	0	111.5	S501 E502 Q508 M509	S501-Q505 WeakPolarHBondContact O-CB 3.35Å; S501-Q505 VanDerWaalsContact O-CG 3.23Å; S501-Q505 WeakPolarHBondContact O-CG 3.49Å; S501-Q505 PolarHBondContact O-N 2.82Å; E502-Q505 CarbonylContact O-C 3.59Å; E502-Q505 PolarHBondContact O-N 2.58Å; Q505-Q508 CarbonylContact O-C 3.19Å; Q505-Q508 PolarHBondContact O-N 2.89Å; Q505-M509 VanDerWaalsContact O-CB 3.27Å; Q505-M509 WeakPolarHBondContact O-CB 3.24Å; Q505-M509 WeakPolarHBondContact O-CG 3.44Å; Q505-M509 PolarHBondContact O-N 2.7Å
506	K	60.9	Low	59.8	Low	78 Å²	78	101.6 Å²	101.6	34%	0.339	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-49.3	173.4	-179	-176.1	176.6	-177	0	111.3	L38 E502 S503 K504 Q508 M509 E510	L38-K506 PolarHBondContact O-NZ 3.4Å; E502-K506 VanDerWaalsContact O-CB 3.3Å; E502-K506 WeakPolarHBondContact O-CB 3.3Å; E502-K506 PolarHBondContact O-N 2.83Å; S503-K506 WeakPolarHBondContact O-CB 3.49Å; S503-K506 PolarHBondContact O-N 3.3Å; K504-K506 VanDerWaalsContact C-N 3.3Å; K504-K506 PolarHBondContact O-N 3.26Å; K506-Q508 VanDerWaalsContact C-N 3.29Å; K506-Q508 PolarHBondContact O-N 2.84Å; K506-M509 CarbonylContact O-C 3.5Å; K506-M509 PolarHBondContact O-N 2.98Å; K506-M509 VanDerWaalsContact O-N 3.08Å; K506-E510 WeakPolarHBondContact CE-OE1 3.28Å; K506-E510 WeakPolarHBondContact O-CG 3.25Å; K506-E510 PolarHBondContact O-N 2.72Å
507	Q	60.4	Low	59.4	Low	129 Å²	129	102.9 Å²	102.9	60%	0.603	51%	0.507	S	S	*	.	H	α-helix	trans	-60.2	-40.1	174.4	-75	-174.7	-12.1	0	0	111.8	S503 K504 S511	S503-Q507 PolarHBondContact O-N 3.37Å; K504-Q507 PolarHBondContact O-N 3.2Å; Q507-S511 WeakPolarHBondContact O-CB 3.38Å; Q507-S511 PolarHBondContact O-N 3.37Å
508	Q	58.8	Low	58.7	Low	135 Å²	135	102.8 Å²	102.8	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-67.8	-33.7	172.9	-76	-177.9	-5.4	0	0	112.8	K504 Q505 K506 R512	K504-Q508 WeakPolarHBondContact O-CB 3.15Å; K504-Q508 WeakPolarHBondContact O-CG 3.15Å; K504-Q508 PolarHBondContact O-N 2.92Å; Q505-Q508 CarbonylContact O-C 3.19Å; Q505-Q508 PolarHBondContact O-N 2.89Å; K506-Q508 VanDerWaalsContact C-N 3.29Å; K506-Q508 PolarHBondContact O-N 2.84Å; Q508-R512 WeakPolarHBondContact O-CA 3.31Å; Q508-R512 WeakPolarHBondContact O-CB 3.29Å; Q508-R512 PolarHBondContact O-N 3.19Å
509	M	54.7	Low	57.9	Low	126 Å²	126	104.1 Å²	104.1	62%	0.621	52%	0.517	S	S	*	.	H	α-helix	trans	-71.9	-40	175.1	-75.4	-106.8	-69.9	0	0	111.8	Q505 K506 R512 D513	Q505-M509 VanDerWaalsContact O-CB 3.27Å; Q505-M509 WeakPolarHBondContact O-CB 3.24Å; Q505-M509 WeakPolarHBondContact O-CG 3.44Å; Q505-M509 PolarHBondContact O-N 2.7Å; K506-M509 CarbonylContact O-C 3.5Å; K506-M509 PolarHBondContact O-N 2.98Å; K506-M509 VanDerWaalsContact O-N 3.08Å; M509-R512 CarbonylContact O-C 3.48Å; M509-R512 PolarHBondContact O-N 2.7Å; M509-D513 WeakPolarHBondContact O-CB 3.13Å; M509-D513 PolarHBondContact O-N 3.31Å
510	E	58.9	Low	57.4	Low	109 Å²	109	106.8 Å²	106.8	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-66.8	-49.1	174.9	-72.9	173	178.1	0	0	110.4	K506 R512 D513 E514	K506-E510 WeakPolarHBondContact CE-OE1 3.28Å; K506-E510 WeakPolarHBondContact O-CG 3.25Å; K506-E510 PolarHBondContact O-N 2.72Å; E510-R512 VanDerWaalsContact C-N 3.26Å; E510-R512 PolarHBondContact O-N 2.96Å; E510-D513 PolarHBondContact O-N 2.92Å; E510-D513 VanDerWaalsContact O-N 3.15Å; E510-E514 PolarHBondContact O-N 3.29Å
511	S	55.4	Low	57	Low	50 Å²	50	108.9 Å²	108.9	35%	0.35	53%	0.529	S	S	.	.	H	α-helix	trans	-56.8	-37.8	170.8	164.3	0	0	0	0	112.2	Q507 E515	Q507-S511 WeakPolarHBondContact O-CB 3.38Å; Q507-S511 PolarHBondContact O-N 3.37Å; S511-E515 VanDerWaalsContact O-CB 3.27Å; S511-E515 WeakPolarHBondContact O-CB 3.24Å; S511-E515 VanDerWaalsContact O-CG 3.24Å; S511-E515 WeakPolarHBondContact O-CG 3.36Å; S511-E515 PolarHBondContact O-N 2.73Å
512	R	53.4	Low	56.8	Low	168 Å²	168	112.6 Å²	112.6	63%	0.634	55%	0.549	S	S	*	.	H	α-helix	trans	-80.7	-22.1	178.2	-177.9	173	158	121.3	-7	113.3	Q508 M509 E510 T516	Q508-R512 WeakPolarHBondContact O-CA 3.31Å; Q508-R512 WeakPolarHBondContact O-CB 3.29Å; Q508-R512 PolarHBondContact O-N 3.19Å; M509-R512 CarbonylContact O-C 3.48Å; M509-R512 PolarHBondContact O-N 2.7Å; E510-R512 VanDerWaalsContact C-N 3.26Å; E510-R512 PolarHBondContact O-N 2.96Å; R512-T516 HydrophobicContact CG-CG2 4.22Å; R512-T516 WeakPolarHBondContact O-CA 3.27Å; R512-T516 WeakPolarHBondContact O-CB 3.23Å; R512-T516 WeakPolarHBondContact O-CG2 3.42Å; R512-T516 PolarHBondContact O-N 2.88Å; R512-T516 PolarHBondContact O-OG1 3.2Å
513	D	55.8	Low	56.8	Low	105 Å²	105	110.1 Å²	110.1	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-76	-35.7	168.9	-90.5	-5.2	0	0	0	110.5	M509 E510 L517	M509-D513 WeakPolarHBondContact O-CB 3.13Å; M509-D513 PolarHBondContact O-N 3.31Å; E510-D513 PolarHBondContact O-N 2.92Å; E510-D513 VanDerWaalsContact O-N 3.15Å; D513-L517 WeakPolarHBondContact O-CB 3.4Å; D513-L517 WeakPolarHBondContact O-CD1 3.48Å; D513-L517 WeakPolarHBondContact O-CG 3.41Å; D513-L517 PolarHBondContact O-N 3.45Å; D513-L517 VanDerWaalsContact O-N 3.07Å
514	E	56.5	Low	57.2	Low	136 Å²	136	112.2 Å²	112.2	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-67.5	-52.1	168.2	-69.1	-172.3	149.4	0	0	111.2	E510 T516 L517 E518	E510-E514 PolarHBondContact O-N 3.29Å; E514-T516 PolarHBondContact O-N 3.34Å; E514-L517 WeakPolarHBondContact O-CA 3.42Å; E514-L517 VanDerWaalsContact O-CB 3.28Å; E514-L517 WeakPolarHBondContact O-CB 3.28Å; E514-L517 PolarHBondContact O-N 2.78Å; E514-E518 PolarHBondContact O-N 3.24Å; E514-E518 VanDerWaalsContact O-N 3.14Å
515	E	53.5	Low	57.7	Low	105 Å²	105	109.3 Å²	109.3	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-37.2	176.1	-75	174.7	-172.8	0	0	111.9	S511 L517 E518 L519	S511-E515 VanDerWaalsContact O-CB 3.27Å; S511-E515 WeakPolarHBondContact O-CB 3.24Å; S511-E515 VanDerWaalsContact O-CG 3.24Å; S511-E515 WeakPolarHBondContact O-CG 3.36Å; S511-E515 PolarHBondContact O-N 2.73Å; E515-L517 VanDerWaalsContact C-N 3.29Å; E515-L517 PolarHBondContact O-N 2.96Å; E515-E518 CarbonylContact O-C 3.58Å; E515-E518 WeakPolarHBondContact O-CA 3.24Å; E515-E518 PolarHBondContact O-N 3.42Å; E515-L519 WeakPolarHBondContact O-CB 3.47Å; E515-L519 PolarHBondContact O-N 2.98Å
516	T	54.1	Low	58.2	Low	45 Å²	45	109.9 Å²	109.9	28%	0.276	55%	0.551	S	S	.	*	H	α-helix	trans	-78.5	-11.1	174.5	62.2	0	0	0	0	113.9	R512 E514 E518 K520	R512-T516 HydrophobicContact CG-CG2 4.22Å; R512-T516 WeakPolarHBondContact O-CA 3.27Å; R512-T516 WeakPolarHBondContact O-CB 3.23Å; R512-T516 WeakPolarHBondContact O-CG2 3.42Å; R512-T516 PolarHBondContact O-N 2.88Å; R512-T516 PolarHBondContact O-OG1 3.2Å; E514-T516 PolarHBondContact O-N 3.34Å; T516-E518 VanDerWaalsContact C-N 3.34Å; T516-K520 WeakPolarHBondContact O-CD 3.43Å; T516-K520 WeakPolarHBondContact O-CG 3.28Å
517	L	54.3	Low	58.8	Low	87 Å²	87	112.5 Å²	112.5	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-73.6	-27.9	161.2	-79.4	162.9	0	0	0	111.3	D513 E514 E515 K536	D513-L517 WeakPolarHBondContact O-CB 3.4Å; D513-L517 WeakPolarHBondContact O-CD1 3.48Å; D513-L517 WeakPolarHBondContact O-CG 3.41Å; D513-L517 PolarHBondContact O-N 3.45Å; D513-L517 VanDerWaalsContact O-N 3.07Å; E514-L517 WeakPolarHBondContact O-CA 3.42Å; E514-L517 VanDerWaalsContact O-CB 3.28Å; E514-L517 WeakPolarHBondContact O-CB 3.28Å; E514-L517 PolarHBondContact O-N 2.78Å; E515-L517 VanDerWaalsContact C-N 3.29Å; E515-L517 PolarHBondContact O-N 2.96Å; L517-K536 HydrophobicContact CD2-CD 4.49Å; L517-K536 HydrophobicContact CD2-CG 4.37Å; L517-K536 PolarHBondContact O-NZ 2.73Å
518	E	54.9	Low	59.6	Low	137 Å²	137	110.6 Å²	110.6	64%	0.64	56%	0.556	S	S	*	*	H	α-helix	trans	-92.1	-43	178.9	-64.7	-176.6	166.8	0	0	113.7	E514 E515 T516 K520 E521	E514-E518 PolarHBondContact O-N 3.24Å; E514-E518 VanDerWaalsContact O-N 3.14Å; E515-E518 CarbonylContact O-C 3.58Å; E515-E518 WeakPolarHBondContact O-CA 3.24Å; E515-E518 PolarHBondContact O-N 3.42Å; T516-E518 VanDerWaalsContact C-N 3.34Å; E518-K520 VanDerWaalsContact C-N 3.33Å; E518-K520 PolarHBondContact O-N 3.4Å; E518-E521 WeakPolarHBondContact O-CG 3.48Å
519	L	47	Very low	60.3	Low	144 Å²	144	106.3 Å²	106.3	75%	0.754	54%	0.536	S	S	*	.	S	Bend	trans	-77.7	-11	-175	-121.9	81.4	0	0	0	114.4	E515 E521	E515-L519 WeakPolarHBondContact O-CB 3.47Å; E515-L519 PolarHBondContact O-N 2.98Å; L519-E521 PolarHBondContact O-N 2.98Å; L519-E521 VanDerWaalsContact O-N 3.11Å
520	K	54.4	Low	61.4	Low	141 Å²	141	103.7 Å²	103.7	61%	0.613	53%	0.527	S	S	*	.			trans	-85	47.9	174.9	-74.1	179.5	-178.8	160	0	111.9	T516 E518	T516-K520 WeakPolarHBondContact O-CD 3.43Å; T516-K520 WeakPolarHBondContact O-CG 3.28Å; E518-K520 VanDerWaalsContact C-N 3.33Å; E518-K520 PolarHBondContact O-N 3.4Å
521	E	54.9	Low	62.3	Low	131 Å²	131	102.7 Å²	102.7	61%	0.612	53%	0.525	S	S	*	.			trans	-102.7	23.1	178.4	-75.8	-167.6	161.3	0	0	114	E518 L519 Y523	E518-E521 WeakPolarHBondContact O-CG 3.48Å; L519-E521 PolarHBondContact O-N 2.98Å; L519-E521 VanDerWaalsContact O-N 3.11Å; E521-Y523 HydrophobicContact CB-CE2 4.49Å; E521-Y523 HydrophobicContact CG-CE2 4.32Å
522	T	58.9	Low	63.2	Low	135 Å²	135	103.2 Å²	103.2	83%	0.828	52%	0.523	S	S	*	.			trans	-102.1	82.4	162.1	46.1	0	0	0	0	110.2	S524	T522-S524 PolarHBondContact O-N 3.23Å
523	Y	63.1	Low	64.3	Low	56 Å²	56	100.1 Å²	100.1	22%	0.22	51%	0.514	C	S	.	.			trans	-75.5	116.2	175	-53.9	-76.7	0	0	0	110.4	E521 S525 E529	E521-Y523 HydrophobicContact CB-CE2 4.49Å; E521-Y523 HydrophobicContact CG-CE2 4.32Å; Y523-S525 PolarHBondContact O-N 3.48Å; Y523-E529 HydrophobicContact CD1-CB 3.59Å; Y523-E529 HydrophobicContact CD1-CG 3.79Å; Y523-E529 HydrophobicContact CD2-CB 4.23Å; Y523-E529 HydrophobicContact CD2-CG 3.86Å; Y523-E529 HydrophobicContact CE1-CB 4.1Å; Y523-E529 HydrophobicContact CE1-CG 3.85Å; Y523-E529 HydrophobicContact CE2-CG 3.95Å; Y523-E529 HydrophobicContact CG-CB 3.66Å; Y523-E529 HydrophobicContact CG-CG 3.79Å
524	S	66.1	Low	65.5	Low	102 Å²	102	97.9 Å²	97.9	71%	0.713	51%	0.505	S	S	*	.	S	Bend	trans	-72.2	-12.1	175.6	28.7	0	0	0	0	114.3	T522 Q528	T522-S524 PolarHBondContact O-N 3.23Å; S524-Q528 PolarHBondContact OG-OE1 3.05Å
525	S	74.5	Confident	66.6	Low	59 Å²	59	98.1 Å²	98.1	41%	0.413	50%	0.503	S	S	.	.			trans	-161.1	144.8	176.1	173.9	0	0	0	0	111	Y523 Q527 Q528 E529	Y523-S525 PolarHBondContact O-N 3.48Å; S525-Q527 PolarHBondContact O-N 3.23Å; S525-Q527 PolarHBondContact OG-N 3.24Å; S525-Q528 WeakPolarHBondContact O-CB 3.47Å; S525-Q528 PolarHBondContact O-N 3.09Å; S525-Q528 VanDerWaalsContact O-N 3.08Å; S525-E529 PolarHBondContact O-N 3.14Å
526	L	71.8	Confident	67.6	Low	129 Å²	129	95.8 Å²	95.8	68%	0.675	49%	0.491	S	S	*	.	H	α-helix	trans	-57	-32.3	175.5	-165.4	73.2	0	0	0	112.2	E529 V530	L526-E529 WeakPolarHBondContact O-CB 3.33Å; L526-E529 PolarHBondContact O-N 3.08Å; L526-V530 WeakPolarHBondContact O-CG2 3.47Å; L526-V530 PolarHBondContact O-N 2.97Å
527	Q	74.3	Confident	68.6	Low	133 Å²	133	99.2 Å²	99.2	62%	0.621	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-40	178.1	-156.3	70.7	24.5	0	0	111.8	S525 V530 D531	S525-Q527 PolarHBondContact O-N 3.23Å; S525-Q527 PolarHBondContact OG-N 3.24Å; Q527-V530 PolarHBondContact O-N 2.62Å; Q527-D531 PolarHBondContact O-N 2.93Å
528	Q	75.4	Confident	69.8	Low	89 Å²	89	101.9 Å²	101.9	42%	0.416	52%	0.515	S	S	.	.	H	α-helix	trans	-71.8	-34.7	178.5	-173.4	-179.5	2.3	0	0	111.2	S524 S525 I532	S524-Q528 PolarHBondContact OG-OE1 3.05Å; S525-Q528 WeakPolarHBondContact O-CB 3.47Å; S525-Q528 PolarHBondContact O-N 3.09Å; S525-Q528 VanDerWaalsContact O-N 3.08Å; Q528-I532 HydrophobicContact CG-CD1 4Å; Q528-I532 WeakPolarHBondContact O-CB 3.25Å; Q528-I532 VanDerWaalsContact O-CG1 3.23Å; Q528-I532 WeakPolarHBondContact O-CG1 3.37Å; Q528-I532 PolarHBondContact O-N 2.81Å
529	E	74.4	Confident	70.6	Confident	46 Å²	46	102.6 Å²	102.6	22%	0.215	52%	0.517	C	S	.	.	H	α-helix	trans	-60.2	-48.7	169.5	-176.7	-179.9	169.9	0	0	111.5	Y523 S525 L526 I532 K533	Y523-E529 HydrophobicContact CD1-CB 3.59Å; Y523-E529 HydrophobicContact CD1-CG 3.79Å; Y523-E529 HydrophobicContact CD2-CB 4.23Å; Y523-E529 HydrophobicContact CD2-CG 3.86Å; Y523-E529 HydrophobicContact CE1-CB 4.1Å; Y523-E529 HydrophobicContact CE1-CG 3.85Å; Y523-E529 HydrophobicContact CE2-CG 3.95Å; Y523-E529 HydrophobicContact CG-CB 3.66Å; Y523-E529 HydrophobicContact CG-CG 3.79Å; S525-E529 PolarHBondContact O-N 3.14Å; L526-E529 WeakPolarHBondContact O-CB 3.33Å; L526-E529 PolarHBondContact O-N 3.08Å; E529-I532 PolarHBondContact O-N 3.19Å; E529-K533 HydrophobicContact CG-CD 3.9Å; E529-K533 HydrophobicContact CG-CG 4.4Å; E529-K533 VanDerWaalsContact O-CB 3.28Å; E529-K533 WeakPolarHBondContact O-CB 3.38Å; E529-K533 WeakPolarHBondContact O-CG 3.45Å; E529-K533 PolarHBondContact O-N 2.95Å; E529-K533 VanDerWaalsContact OE1-CE 3.31Å; E529-K533 WeakPolarHBondContact OE1-CE 3.49Å; E529-K533 IonicContact OE1-NZ 3.03Å; E529-K533 PolarHBondContact OE1-NZ 3.49Å
530	V	77.6	Confident	71.8	Confident	71 Å²	71	101 Å²	101	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-58.6	-49.3	176.1	170.3	0	0	0	0	110.8	L526 Q527 I532 K533 T534	L526-V530 WeakPolarHBondContact O-CG2 3.47Å; L526-V530 PolarHBondContact O-N 2.97Å; Q527-V530 PolarHBondContact O-N 2.62Å; V530-I532 PolarHBondContact O-N 2.74Å; V530-K533 PolarHBondContact O-N 3.05Å; V530-T534 WeakPolarHBondContact O-CB 3.4Å; V530-T534 PolarHBondContact O-N 3.18Å; V530-T534 PolarHBondContact O-OG1 2.93Å
531	D	77.2	Confident	73	Confident	87 Å²	87	100.1 Å²	100.1	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-41	179.4	-83.4	-20.4	0	0	0	113.4	Q527 K535	Q527-D531 PolarHBondContact O-N 2.93Å; D531-K535 WeakPolarHBondContact O-CB 3.42Å; D531-K535 WeakPolarHBondContact O-CG 3.4Å; D531-K535 PolarHBondContact O-N 3.48Å
532	I	75.3	Confident	73.9	Confident	61 Å²	61	97.4 Å²	97.4	31%	0.313	50%	0.5	S	S	.	.	H	α-helix	trans	-69.2	-44.3	177.5	-69.1	168.9	0	0	0	110.2	Q528 E529 V530 T534 K535 K536	Q528-I532 HydrophobicContact CG-CD1 4Å; Q528-I532 WeakPolarHBondContact O-CB 3.25Å; Q528-I532 VanDerWaalsContact O-CG1 3.23Å; Q528-I532 WeakPolarHBondContact O-CG1 3.37Å; Q528-I532 PolarHBondContact O-N 2.81Å; E529-I532 PolarHBondContact O-N 3.19Å; V530-I532 PolarHBondContact O-N 2.74Å; I532-T534 PolarHBondContact O-N 3.35Å; I532-K535 PolarHBondContact O-N 3.35Å; I532-K536 PolarHBondContact O-N 2.76Å
533	K	76.6	Confident	74.4	Confident	104 Å²	104	98 Å²	98	45%	0.452	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-37.8	175.9	-74.5	-177.8	174	177.9	0	111.6	E529 V530 K536 L537	E529-K533 HydrophobicContact CG-CD 3.9Å; E529-K533 HydrophobicContact CG-CG 4.4Å; E529-K533 VanDerWaalsContact O-CB 3.28Å; E529-K533 WeakPolarHBondContact O-CB 3.38Å; E529-K533 WeakPolarHBondContact O-CG 3.45Å; E529-K533 PolarHBondContact O-N 2.95Å; E529-K533 VanDerWaalsContact OE1-CE 3.31Å; E529-K533 WeakPolarHBondContact OE1-CE 3.49Å; E529-K533 IonicContact OE1-NZ 3.03Å; E529-K533 PolarHBondContact OE1-NZ 3.49Å; V530-K533 PolarHBondContact O-N 3.05Å; K533-K536 PolarHBondContact O-N 3.1Å; K533-L537 VanDerWaalsContact O-CB 3.23Å; K533-L537 WeakPolarHBondContact O-CB 3.37Å; K533-L537 PolarHBondContact O-N 3.22Å
534	T	81.8	Confident	75	Confident	58 Å²	58	99.8 Å²	99.8	36%	0.356	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-39.2	172.8	-60.8	0	0	0	0	111.9	V530 I532 L537 K538	V530-T534 WeakPolarHBondContact O-CB 3.4Å; V530-T534 PolarHBondContact O-N 3.18Å; V530-T534 PolarHBondContact O-OG1 2.93Å; I532-T534 PolarHBondContact O-N 3.35Å; T534-L537 PolarHBondContact O-N 3.09Å; T534-K538 WeakPolarHBondContact O-CB 3.23Å; T534-K538 WeakPolarHBondContact O-CG 3.3Å; T534-K538 PolarHBondContact O-N 3.07Å
535	K	78.8	Confident	75.6	Confident	140 Å²	140	100.2 Å²	100.2	61%	0.609	49%	0.494	S	S	*	.	H	α-helix	trans	-67.6	-41.5	173.5	-74.2	169.7	-176.4	170.7	0	112.4	D531 I532 K538 K539	D531-K535 WeakPolarHBondContact O-CB 3.42Å; D531-K535 WeakPolarHBondContact O-CG 3.4Å; D531-K535 PolarHBondContact O-N 3.48Å; I532-K535 PolarHBondContact O-N 3.35Å; K535-K538 PolarHBondContact O-N 3.42Å; K535-K539 PolarHBondContact O-N 3.05Å
536	K	73.9	Confident	75.4	Confident	56 Å²	56	100.2 Å²	100.2	24%	0.243	50%	0.498	C	S	.	.	H	α-helix	trans	-60	-47.7	171.7	-76.6	-176.2	174.1	-175.2	0	110.7	L517 I532 K533 K538 K539 L540	L517-K536 HydrophobicContact CD2-CD 4.49Å; L517-K536 HydrophobicContact CD2-CG 4.37Å; L517-K536 PolarHBondContact O-NZ 2.73Å; I532-K536 PolarHBondContact O-N 2.76Å; K533-K536 PolarHBondContact O-N 3.1Å; K536-K538 PolarHBondContact O-N 3.09Å; K536-K539 PolarHBondContact O-N 2.72Å; K536-L540 WeakPolarHBondContact O-CB 3.19Å; K536-L540 WeakPolarHBondContact O-CG 3.45Å; K536-L540 PolarHBondContact O-N 3.02Å
537	L	75.7	Confident	75.3	Confident	118 Å²	118	97.5 Å²	97.5	62%	0.618	49%	0.487	S	S	*	.	H	α-helix	trans	-60.8	-43.4	178.5	-174.9	65.5	0	0	0	111.8	K533 T534 L540 F541	K533-L537 VanDerWaalsContact O-CB 3.23Å; K533-L537 WeakPolarHBondContact O-CB 3.37Å; K533-L537 PolarHBondContact O-N 3.22Å; T534-L537 PolarHBondContact O-N 3.09Å; L537-L540 PolarHBondContact O-N 3.42Å; L537-F541 WeakPolarHBondContact O-CB 3.41Å; L537-F541 PolarHBondContact O-N 2.89Å
538	K	79.3	Confident	75.4	Confident	142 Å²	142	97.6 Å²	97.6	62%	0.617	49%	0.485	S	S	*	.	H	α-helix	trans	-60.3	-46.6	173.2	-76.9	179.6	177.4	-176.8	0	112	T534 K535 K536 F541 S542	T534-K538 WeakPolarHBondContact O-CB 3.23Å; T534-K538 WeakPolarHBondContact O-CG 3.3Å; T534-K538 PolarHBondContact O-N 3.07Å; K535-K538 PolarHBondContact O-N 3.42Å; K536-K538 PolarHBondContact O-N 3.09Å; K538-F541 PolarHBondContact O-N 3.31Å; K538-S542 PolarHBondContact O-N 3.46Å; K538-S542 PolarHBondContact O-OG 3.39Å
539	K	72.1	Confident	75.3	Confident	153 Å²	153	95.5 Å²	95.5	67%	0.665	48%	0.483	S	S	*	.	H	α-helix	trans	-60.7	-44.8	176	-76.5	-173.1	173.3	-170.6	0	112.4	K535 K536 S542 K543	K535-K539 PolarHBondContact O-N 3.05Å; K536-K539 PolarHBondContact O-N 2.72Å; K539-S542 PolarHBondContact O-N 3.08Å; K539-K543 PolarHBondContact O-N 3.47Å
540	L	72.9	Confident	75.2	Confident	110 Å²	110	98.3 Å²	98.3	58%	0.576	50%	0.496	S	S	*	.	H	α-helix	trans	-67	-37.8	177.8	-72.4	171.4	0	0	0	112	K536 L537 K543 L544	K536-L540 WeakPolarHBondContact O-CB 3.19Å; K536-L540 WeakPolarHBondContact O-CG 3.45Å; K536-L540 PolarHBondContact O-N 3.02Å; L537-L540 PolarHBondContact O-N 3.42Å; L540-K543 PolarHBondContact O-N 2.92Å; L540-L544 WeakPolarHBondContact O-CB 3.45Å; L540-L544 PolarHBondContact O-N 3.11Å
541	F	78.8	Confident	75.1	Confident	123 Å²	123	99 Å²	99	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-43.9	174.9	-173.7	-90.8	0	0	0	111.5	L537 K538 L544 Q545	L537-F541 WeakPolarHBondContact O-CB 3.41Å; L537-F541 PolarHBondContact O-N 2.89Å; K538-F541 PolarHBondContact O-N 3.31Å; F541-L544 PolarHBondContact O-N 2.93Å; F541-Q545 WeakPolarHBondContact O-CB 3.44Å; F541-Q545 PolarHBondContact O-N 3.31Å
542	S	74.2	Confident	75.3	Confident	73 Å²	73	100 Å²	100	51%	0.51	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-40.9	173.2	-61.7	0	0	0	0	112.5	K538 K539 Q545 A546	K538-S542 PolarHBondContact O-N 3.46Å; K538-S542 PolarHBondContact O-OG 3.39Å; K539-S542 PolarHBondContact O-N 3.08Å; S542-Q545 PolarHBondContact O-N 2.92Å; S542-A546 WeakPolarHBondContact O-CB 3.47Å; S542-A546 PolarHBondContact O-N 3.18Å
543	K	67.9	Low	75.2	Confident	149 Å²	149	98.7 Å²	98.7	65%	0.648	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-46.5	172.2	-76.3	-172.5	174.4	-169.1	0	111.6	K539 L540 Q545 A546 V547	K539-K543 PolarHBondContact O-N 3.47Å; L540-K543 PolarHBondContact O-N 2.92Å; K543-Q545 VanDerWaalsContact C-N 3.32Å; K543-Q545 PolarHBondContact O-N 2.93Å; K543-A546 PolarHBondContact O-N 3.41Å; K543-V547 WeakPolarHBondContact O-CG2 3.29Å; K543-V547 PolarHBondContact O-N 2.91Å
544	L	76.9	Confident	74.9	Confident	93 Å²	93	97 Å²	97	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-40.2	177.5	-176	74.4	0	0	0	111.8	L540 F541 V547 K548	L540-L544 WeakPolarHBondContact O-CB 3.45Å; L540-L544 PolarHBondContact O-N 3.11Å; F541-L544 PolarHBondContact O-N 2.93Å; L544-V547 PolarHBondContact O-N 3.09Å; L544-K548 WeakPolarHBondContact O-CB 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.38Å; L544-K548 PolarHBondContact O-N 3.42Å
545	Q	78.6	Confident	74.8	Confident	110 Å²	110	99.7 Å²	99.7	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-39.8	178.5	-170.8	170.7	2.4	0	0	111.6	F541 S542 K543 K548 A549	F541-Q545 WeakPolarHBondContact O-CB 3.44Å; F541-Q545 PolarHBondContact O-N 3.31Å; S542-Q545 PolarHBondContact O-N 2.92Å; K543-Q545 VanDerWaalsContact C-N 3.32Å; K543-Q545 PolarHBondContact O-N 2.93Å; Q545-K548 PolarHBondContact O-N 3.29Å; Q545-A549 PolarHBondContact O-N 3.23Å
546	A	69.9	Low	74.8	Confident	59 Å²	59	98.1 Å²	98.1	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-46.3	172.8	0	0	0	0	0	112	S542 K543 K548 A549 E550	S542-A546 WeakPolarHBondContact O-CB 3.47Å; S542-A546 PolarHBondContact O-N 3.18Å; K543-A546 PolarHBondContact O-N 3.41Å; A546-K548 VanDerWaalsContact C-N 3.33Å; A546-K548 PolarHBondContact O-N 3.37Å; A546-A549 PolarHBondContact O-N 3.4Å; A546-E550 PolarHBondContact O-N 2.9Å
547	V	69.1	Low	74.7	Confident	73 Å²	73	96.7 Å²	96.7	44%	0.442	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-36	176.3	172.9	0	0	0	0	111.8	K543 L544 E550 I551	K543-V547 WeakPolarHBondContact O-CG2 3.29Å; K543-V547 PolarHBondContact O-N 2.91Å; L544-V547 PolarHBondContact O-N 3.09Å; V547-E550 PolarHBondContact O-N 3.47Å; V547-I551 HydrophobicContact CG1-CD1 3.99Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.29Å; V547-I551 PolarHBondContact O-N 3.16Å
548	K	77.6	Confident	74.6	Confident	134 Å²	134	96.2 Å²	96.2	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-65	-41.9	173.4	-80.2	-176.7	175.4	-168.6	0	112.5	L544 Q545 A546 I551 Q552	L544-K548 WeakPolarHBondContact O-CB 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.38Å; L544-K548 PolarHBondContact O-N 3.42Å; Q545-K548 PolarHBondContact O-N 3.29Å; A546-K548 VanDerWaalsContact C-N 3.33Å; A546-K548 PolarHBondContact O-N 3.37Å; K548-I551 PolarHBondContact O-N 3.13Å; K548-Q552 PolarHBondContact O-N 3.24Å
549	A	73.8	Confident	74.6	Confident	46 Å²	46	94.1 Å²	94.1	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.1	0	0	0	0	0	111.1	Q545 A546 I551 Q552 D553	Q545-A549 PolarHBondContact O-N 3.23Å; A546-A549 PolarHBondContact O-N 3.4Å; A549-I551 PolarHBondContact O-N 2.91Å; A549-Q552 PolarHBondContact O-N 3.26Å; A549-D553 WeakPolarHBondContact O-CB 3.29Å; A549-D553 PolarHBondContact O-N 2.88Å
550	E	71.5	Confident	74.9	Confident	104 Å²	104	92 Å²	92	49%	0.486	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-41.1	174.9	-174.3	175.2	-159.9	0	0	112.7	A546 V547 D553 I554	A546-E550 PolarHBondContact O-N 2.9Å; V547-E550 PolarHBondContact O-N 3.47Å; E550-D553 WeakPolarHBondContact O-CB 3.35Å; E550-D553 PolarHBondContact O-N 3.46Å; E550-I554 HydrophobicContact CG-CD1 4.05Å; E550-I554 WeakPolarHBondContact O-CB 3.37Å; E550-I554 WeakPolarHBondContact O-CD1 3.23Å; E550-I554 VanDerWaalsContact O-CG1 3.23Å; E550-I554 WeakPolarHBondContact O-CG1 3.44Å; E550-I554 PolarHBondContact O-N 3.47Å
551	I	75.3	Confident	74.6	Confident	85 Å²	85	89.5 Å²	89.5	44%	0.436	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-41.3	174.1	-69.9	164.3	0	0	0	111.1	V547 K548 A549 I554 Q555	V547-I551 HydrophobicContact CG1-CD1 3.99Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.29Å; V547-I551 PolarHBondContact O-N 3.16Å; K548-I551 PolarHBondContact O-N 3.13Å; A549-I551 PolarHBondContact O-N 2.91Å; I551-I554 PolarHBondContact O-N 2.92Å; I551-Q555 VanDerWaalsContact O-CG 3.3Å; I551-Q555 WeakPolarHBondContact O-CG 3.44Å; I551-Q555 PolarHBondContact O-N 3.13Å
552	Q	81.9	Confident	74.5	Confident	108 Å²	108	92.2 Å²	92.2	51%	0.505	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.2	-175.6	177.8	-20.6	0	0	111.5	K548 A549 I554 Q555 E556	K548-Q552 PolarHBondContact O-N 3.24Å; A549-Q552 PolarHBondContact O-N 3.26Å; Q552-I554 VanDerWaalsContact C-N 3.27Å; Q552-I554 PolarHBondContact O-N 2.99Å; Q552-Q555 WeakPolarHBondContact O-CB 3.38Å; Q552-Q555 PolarHBondContact O-N 3.45Å; Q552-Q555 VanDerWaalsContact O-N 3.07Å; Q552-E556 HydrophobicContact CG-CG 4.43Å; Q552-E556 WeakPolarHBondContact CG-OE1 3.47Å; Q552-E556 PolarHBondContact NE2-OE1 3.35Å; Q552-E556 WeakPolarHBondContact O-CG 3.4Å; Q552-E556 PolarHBondContact O-N 2.83Å
553	D	73.2	Confident	74.7	Confident	34 Å²	34	93.8 Å²	93.8	18%	0.182	46%	0.456	C	S	.	.	H	α-helix	trans	-48.5	-48	171.7	-106.3	34.6	0	0	0	111.7	K54 R331 A549 E550 E557	K54-D553 VanDerWaalsContact NZ-CG 3.27Å; K54-D553 IonicContact NZ-OD1 3.1Å; K54-D553 PolarHBondContact NZ-OD1 3.04Å; K54-D553 IonicContact NZ-OD2 3.95Å; K54-D553 PolarHBondContact NZ-OD2 3.17Å; R331-D553 IonicContact CZ-OD2 3.93Å; R331-D553 IonicContact NH2-OD2 2.62Å; R331-D553 PolarHBondContact NH2-OD2 3.48Å; A549-D553 WeakPolarHBondContact O-CB 3.29Å; A549-D553 PolarHBondContact O-N 2.88Å; E550-D553 WeakPolarHBondContact O-CB 3.35Å; E550-D553 PolarHBondContact O-N 3.46Å; D553-E557 WeakPolarHBondContact O-CB 3.37Å; D553-E557 PolarHBondContact O-N 3.01Å
554	I	70.7	Confident	74.7	Confident	70 Å²	70	90.2 Å²	90.2	36%	0.359	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-38.5	-179.6	-70.9	165.5	0	0	0	111	E550 I551 Q552 H558	E550-I554 HydrophobicContact CG-CD1 4.05Å; E550-I554 WeakPolarHBondContact O-CB 3.37Å; E550-I554 WeakPolarHBondContact O-CD1 3.23Å; E550-I554 VanDerWaalsContact O-CG1 3.23Å; E550-I554 WeakPolarHBondContact O-CG1 3.44Å; E550-I554 PolarHBondContact O-N 3.47Å; I551-I554 PolarHBondContact O-N 2.92Å; Q552-I554 VanDerWaalsContact C-N 3.27Å; Q552-I554 PolarHBondContact O-N 2.99Å; I554-H558 WeakPolarHBondContact O-CB 3.35Å; I554-H558 PolarHBondContact O-CD2 2.86Å; I554-H558 VanDerWaalsContact O-CD2 3.29Å; I554-H558 PolarHBondContact O-N 3.48Å
555	Q	77.7	Confident	74.2	Confident	114 Å²	114	92.1 Å²	92.1	53%	0.533	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-43.6	175.9	-75.3	175	-9.7	0	0	111.8	I551 Q552 H558 I559	I551-Q555 VanDerWaalsContact O-CG 3.3Å; I551-Q555 WeakPolarHBondContact O-CG 3.44Å; I551-Q555 PolarHBondContact O-N 3.13Å; Q552-Q555 WeakPolarHBondContact O-CB 3.38Å; Q552-Q555 PolarHBondContact O-N 3.45Å; Q552-Q555 VanDerWaalsContact O-N 3.07Å; Q555-H558 PolarHBondContact O-N 2.96Å; Q555-I559 WeakPolarHBondContact O-CB 3.33Å; Q555-I559 WeakPolarHBondContact O-CD1 3.49Å; Q555-I559 VanDerWaalsContact O-CG1 3.22Å; Q555-I559 WeakPolarHBondContact O-CG1 3.5Å; Q555-I559 PolarHBondContact O-N 2.89Å
556	E	79.4	Confident	74.2	Confident	106 Å²	106	91.6 Å²	91.6	50%	0.495	45%	0.446	S	S	.	.	H	α-helix	trans	-66	-39.8	176.4	-70.5	178.4	-161.3	0	0	111.8	Q552 I559 K560	Q552-E556 HydrophobicContact CG-CG 4.43Å; Q552-E556 WeakPolarHBondContact CG-OE1 3.47Å; Q552-E556 PolarHBondContact NE2-OE1 3.35Å; Q552-E556 WeakPolarHBondContact O-CG 3.4Å; Q552-E556 PolarHBondContact O-N 2.83Å; E556-I559 PolarHBondContact O-N 3.39Å; E556-K560 WeakPolarHBondContact O-CB 3.35Å; E556-K560 PolarHBondContact O-N 3.41Å
557	E	72.7	Confident	74.7	Confident	26 Å²	26	95.2 Å²	95.2	12%	0.121	45%	0.452	C	S	.	.	H	α-helix	trans	-61	-47.1	172.7	-173.7	163	-116.4	0	0	111.1	R331 R335 D553 I559 K560 E561	R331-E557 IonicContact CZ-OE1 2.72Å; R331-E557 IonicContact CZ-OE2 3.93Å; R331-E557 IonicContact NH1-OE1 3.03Å; R331-E557 PolarHBondContact NH1-OE1 3.25Å; R331-E557 IonicContact NH1-OE2 2.7Å; R331-E557 PolarHBondContact NH1-OE2 3.11Å; R335-E557 IonicContact NH2-OE2 3.95Å; D553-E557 WeakPolarHBondContact O-CB 3.37Å; D553-E557 PolarHBondContact O-N 3.01Å; E557-I559 PolarHBondContact O-N 3.47Å; E557-K560 PolarHBondContact O-N 3.34Å; E557-E561 WeakPolarHBondContact O-CG 3.26Å; E557-E561 PolarHBondContact O-N 2.78Å
558	H	72.4	Confident	74.7	Confident	109 Å²	109	95.2 Å²	95.2	51%	0.505	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.8	-83.7	-48.4	0	0	0	114.1	I554 Q555 K560 E561 R562	I554-H558 WeakPolarHBondContact O-CB 3.35Å; I554-H558 PolarHBondContact O-CD2 2.86Å; I554-H558 VanDerWaalsContact O-CD2 3.29Å; I554-H558 PolarHBondContact O-N 3.48Å; Q555-H558 PolarHBondContact O-N 2.96Å; H558-K560 VanDerWaalsContact C-N 3.33Å; H558-E561 IonicContact ND1-OE2 2.78Å; H558-E561 PolarHBondContact ND1-OE2 2.86Å; H558-R562 VanDerWaalsContact O-CB 3.26Å; H558-R562 WeakPolarHBondContact O-CB 3.37Å; H558-R562 PolarHBondContact O-N 3.11Å
559	I	80.3	Confident	74.7	Confident	97 Å²	97	95 Å²	95	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-44	174.9	-71.9	162.6	0	0	0	109.6	Q555 E556 E557 R562 Q563	Q555-I559 WeakPolarHBondContact O-CB 3.33Å; Q555-I559 WeakPolarHBondContact O-CD1 3.49Å; Q555-I559 VanDerWaalsContact O-CG1 3.22Å; Q555-I559 WeakPolarHBondContact O-CG1 3.5Å; Q555-I559 PolarHBondContact O-N 2.89Å; E556-I559 PolarHBondContact O-N 3.39Å; E557-I559 PolarHBondContact O-N 3.47Å; I559-R562 PolarHBondContact O-N 3.2Å; I559-Q563 WeakPolarHBondContact O-CG 3.34Å; I559-Q563 PolarHBondContact O-N 3.16Å
560	K	77.9	Confident	75.1	Confident	108 Å²	108	97.4 Å²	97.4	47%	0.47	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-45.5	178.6	-174	176.6	178.2	179.1	0	112.6	E556 E557 H558 R562 Q563 E564	E556-K560 WeakPolarHBondContact O-CB 3.35Å; E556-K560 PolarHBondContact O-N 3.41Å; E557-K560 PolarHBondContact O-N 3.34Å; H558-K560 VanDerWaalsContact C-N 3.33Å; K560-R562 VanDerWaalsContact C-N 3.3Å; K560-R562 PolarHBondContact O-N 3.1Å; K560-Q563 PolarHBondContact O-N 3.19Å; K560-E564 WeakPolarHBondContact CE-OE1 3.42Å; K560-E564 WeakPolarHBondContact O-CG 3.29Å; K560-E564 PolarHBondContact O-N 2.9Å
561	E	65.8	Low	75.3	Confident	58 Å²	58	99.2 Å²	99.2	27%	0.271	47%	0.468	S	S	.	.	H	α-helix	trans	-57.8	-43.9	173.9	-74.8	175.7	167.2	0	0	111	E557 H558 Q563 E564 H565	E557-E561 WeakPolarHBondContact O-CG 3.26Å; E557-E561 PolarHBondContact O-N 2.78Å; H558-E561 IonicContact ND1-OE2 2.78Å; H558-E561 PolarHBondContact ND1-OE2 2.86Å; E561-Q563 PolarHBondContact O-N 2.82Å; E561-E564 PolarHBondContact O-N 3.37Å; E561-H565 PolarHBondContact O-CD2 3.41Å; E561-H565 PolarHBondContact O-N 2.71Å
562	R	77.6	Confident	75.2	Confident	180 Å²	180	100 Å²	100	68%	0.679	47%	0.473	S	S	*	.	H	α-helix	trans	-61.1	-43	175.8	-178.8	177.3	172.2	-179.6	-2.9	112.3	H558 I559 K560 H565 E566	H558-R562 VanDerWaalsContact O-CB 3.26Å; H558-R562 WeakPolarHBondContact O-CB 3.37Å; H558-R562 PolarHBondContact O-N 3.11Å; I559-R562 PolarHBondContact O-N 3.2Å; K560-R562 VanDerWaalsContact C-N 3.3Å; K560-R562 PolarHBondContact O-N 3.1Å; R562-H565 PolarHBondContact O-N 2.87Å; R562-E566 WeakPolarHBondContact O-CB 3.3Å; R562-E566 PolarHBondContact O-N 2.87Å
563	Q	78.3	Confident	75.3	Confident	106 Å²	106	97.4 Å²	97.4	50%	0.495	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-42.8	175.5	-73.7	172.9	-12.6	0	0	112.1	I559 K560 E561 H565 E566 Q567	I559-Q563 WeakPolarHBondContact O-CG 3.34Å; I559-Q563 PolarHBondContact O-N 3.16Å; K560-Q563 PolarHBondContact O-N 3.19Å; E561-Q563 PolarHBondContact O-N 2.82Å; Q563-H565 VanDerWaalsContact C-N 3.32Å; Q563-H565 PolarHBondContact O-N 2.82Å; Q563-E566 PolarHBondContact O-N 3.4Å; Q563-Q567 WeakPolarHBondContact O-CB 3.23Å; Q563-Q567 WeakPolarHBondContact O-CG 3.33Å; Q563-Q567 PolarHBondContact O-N 2.99Å
564	E	68.3	Low	75.6	Confident	75 Å²	75	103.3 Å²	103.3	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-61.2	-40.1	175.5	-72.9	176.2	-173.8	0	0	111	R250 K560 E561 T568	R250-E564 IonicContact NH1-OE1 3.48Å; R250-E564 PolarHBondContact NH1-OE1 2.94Å; R250-E564 IonicContact NH1-OE2 3.51Å; R250-E564 PolarHBondContact NH1-OE2 2.76Å; K560-E564 WeakPolarHBondContact CE-OE1 3.42Å; K560-E564 WeakPolarHBondContact O-CG 3.29Å; K560-E564 PolarHBondContact O-N 2.9Å; E561-E564 PolarHBondContact O-N 3.37Å; E564-T568 WeakPolarHBondContact O-CB 3.36Å; E564-T568 PolarHBondContact O-N 2.9Å; E564-T568 VanDerWaalsContact O-N 3.11Å; E564-T568 PolarHBondContact O-OG1 2.75Å
565	H	65.7	Low	76	Confident	133 Å²	133	104.4 Å²	104.4	62%	0.616	49%	0.488	S	S	*	.	H	α-helix	trans	-67.4	-42.7	173.7	-71.6	-47.6	0	0	0	113.4	E561 R562 Q563 T568 Q569	E561-H565 PolarHBondContact O-CD2 3.41Å; E561-H565 PolarHBondContact O-N 2.71Å; R562-H565 PolarHBondContact O-N 2.87Å; Q563-H565 VanDerWaalsContact C-N 3.32Å; Q563-H565 PolarHBondContact O-N 2.82Å; H565-T568 PolarHBondContact O-N 2.8Å; H565-Q569 WeakPolarHBondContact O-CB 3.46Å; H565-Q569 PolarHBondContact O-N 2.7Å
566	E	80.2	Confident	76	Confident	99 Å²	99	103.6 Å²	103.6	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-40.9	179.2	-175.2	162	-160.3	0	0	111.8	R562 Q563 Q569 N570	R562-E566 WeakPolarHBondContact O-CB 3.3Å; R562-E566 PolarHBondContact O-N 2.87Å; Q563-E566 PolarHBondContact O-N 3.4Å; E566-Q569 PolarHBondContact O-N 3.43Å; E566-N570 WeakPolarHBondContact O-CB 3.39Å; E566-N570 VanDerWaalsContact O-CG 3.25Å; E566-N570 PolarHBondContact O-N 2.86Å; E566-N570 PolarHBondContact O-ND2 3.02Å
567	Q	78.6	Confident	76.2	Confident	134 Å²	134	105.6 Å²	105.6	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-59.7	-46.3	170.6	-73.3	176.4	2.5	0	0	111.8	Q563 Q569 N570 E571	Q563-Q567 WeakPolarHBondContact O-CB 3.23Å; Q563-Q567 WeakPolarHBondContact O-CG 3.33Å; Q563-Q567 PolarHBondContact O-N 2.99Å; Q567-Q569 VanDerWaalsContact C-N 3.35Å; Q567-Q569 PolarHBondContact O-N 3.01Å; Q567-N570 PolarHBondContact O-N 3.46Å; Q567-E571 PolarHBondContact O-N 3.49Å
568	T	69.1	Low	76.6	Confident	73 Å²	73	109 Å²	109	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-41.3	178	-55.5	0	0	0	0	111.6	E564 H565 E571 L572	E564-T568 WeakPolarHBondContact O-CB 3.36Å; E564-T568 PolarHBondContact O-N 2.9Å; E564-T568 VanDerWaalsContact O-N 3.11Å; E564-T568 PolarHBondContact O-OG1 2.75Å; H565-T568 PolarHBondContact O-N 2.8Å; T568-E571 PolarHBondContact O-N 2.86Å; T568-L572 HydrophobicContact CG2-CD1 4.06Å; T568-L572 WeakPolarHBondContact O-CB 3.36Å; T568-L572 WeakPolarHBondContact O-CG 3.14Å; T568-L572 PolarHBondContact O-N 3.02Å
569	Q	78.5	Confident	77	Confident	131 Å²	131	108.6 Å²	108.6	61%	0.612	51%	0.509	S	S	*	.	H	α-helix	trans	-63.6	-41.3	175.5	-179	176.8	-12	0	0	111.5	H565 E566 Q567 T573	H565-Q569 WeakPolarHBondContact O-CB 3.46Å; H565-Q569 PolarHBondContact O-N 2.7Å; E566-Q569 PolarHBondContact O-N 3.43Å; Q567-Q569 VanDerWaalsContact C-N 3.35Å; Q567-Q569 PolarHBondContact O-N 3.01Å; Q569-T573 VanDerWaalsContact O-CB 3.23Å; Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.37Å; Q569-T573 PolarHBondContact O-OG1 3.01Å
570	N	81.4	Confident	77.1	Confident	95 Å²	95	108.3 Å²	108.3	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-67	-40.1	177.5	-74	-24.1	0	0	0	112.1	E566 Q567 T573 R574	E566-N570 WeakPolarHBondContact O-CB 3.39Å; E566-N570 VanDerWaalsContact O-CG 3.25Å; E566-N570 PolarHBondContact O-N 2.86Å; E566-N570 PolarHBondContact O-ND2 3.02Å; Q567-N570 PolarHBondContact O-N 3.46Å; N570-T573 PolarHBondContact O-N 3.46Å; N570-R574 WeakPolarHBondContact O-CB 2.82Å; N570-R574 PolarHBondContact O-N 3.11Å
571	E	76.9	Confident	77.3	Confident	142 Å²	142	108 Å²	108	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-47.8	175.1	-171.9	170.2	-154.2	0	0	112	Q567 T568 T573 R574 E575	Q567-E571 PolarHBondContact O-N 3.49Å; T568-E571 PolarHBondContact O-N 2.86Å; E571-T573 VanDerWaalsContact C-N 3.3Å; E571-T573 PolarHBondContact O-N 3.26Å; E571-R574 WeakPolarHBondContact O-CB 3.44Å; E571-R574 PolarHBondContact O-N 3.43Å; E571-E575 PolarHBondContact O-N 3.16Å
572	L	73.4	Confident	78	Confident	103 Å²	103	109.1 Å²	109.1	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-40	173.3	-73.9	169.1	0	0	0	112	T568 E575 L576	T568-L572 HydrophobicContact CG2-CD1 4.06Å; T568-L572 WeakPolarHBondContact O-CB 3.36Å; T568-L572 WeakPolarHBondContact O-CG 3.14Å; T568-L572 PolarHBondContact O-N 3.02Å; L572-E575 PolarHBondContact O-N 2.91Å; L572-L576 VanDerWaalsContact O-CB 3.23Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 PolarHBondContact O-N 3.43Å
573	T	82.5	Confident	78.1	Confident	52 Å²	52	103.2 Å²	103.2	32%	0.319	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-39	176.6	-60.5	0	0	0	0	111.4	Q569 N570 E571 L576 K577	Q569-T573 VanDerWaalsContact O-CB 3.23Å; Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.37Å; Q569-T573 PolarHBondContact O-OG1 3.01Å; N570-T573 PolarHBondContact O-N 3.46Å; E571-T573 VanDerWaalsContact C-N 3.3Å; E571-T573 PolarHBondContact O-N 3.26Å; T573-L576 PolarHBondContact O-N 3.39Å; T573-K577 HydrophobicContact CG2-CD 4.27Å; T573-K577 WeakPolarHBondContact O-CB 3.35Å; T573-K577 VanDerWaalsContact O-CG 3.27Å; T573-K577 WeakPolarHBondContact O-CG 3.42Å; T573-K577 PolarHBondContact O-N 2.97Å
574	R	80.8	Confident	78.2	Confident	158 Å²	158	103.8 Å²	103.8	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-43.6	174.6	-174	-179.7	-81.2	154.8	-7	111.1	N570 E571 K577 L578 D693	N570-R574 WeakPolarHBondContact O-CB 2.82Å; N570-R574 PolarHBondContact O-N 3.11Å; E571-R574 WeakPolarHBondContact O-CB 3.44Å; E571-R574 PolarHBondContact O-N 3.43Å; R574-K577 PolarHBondContact O-N 3.05Å; R574-L578 WeakPolarHBondContact O-CB 3.43Å; R574-L578 PolarHBondContact O-N 2.96Å; R574-D693 IonicContact NH2-OD1 3.66Å; R574-D693 PolarHBondContact NH2-OD1 3.5Å
575	E	77.8	Confident	78.7	Confident	94 Å²	94	105.6 Å²	105.6	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-39.9	175.5	-156.5	-154.3	178.6	0	0	112	E571 L572 L578 K579	E571-E575 PolarHBondContact O-N 3.16Å; L572-E575 PolarHBondContact O-N 2.91Å; E575-L578 PolarHBondContact O-N 3.48Å; E575-K579 VanDerWaalsContact CD-CE 3.46Å; E575-K579 WeakPolarHBondContact O-CG 3.23Å; E575-K579 PolarHBondContact O-N 3.3Å; E575-K579 WeakPolarHBondContact OE1-CE 3.4Å; E575-K579 IonicContact OE1-NZ 3.44Å; E575-K579 PolarHBondContact OE1-NZ 3.22Å; E575-K579 IonicContact OE2-NZ 2.72Å; E575-K579 PolarHBondContact OE2-NZ 2.96Å
576	L	78.3	Confident	79.5	Confident	97 Å²	97	107.3 Å²	107.3	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-43	177.6	-170.5	153.5	0	0	0	111.6	L572 T573 K579 H580	L572-L576 VanDerWaalsContact O-CB 3.23Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 PolarHBondContact O-N 3.43Å; T573-L576 PolarHBondContact O-N 3.39Å; L576-K579 PolarHBondContact O-N 2.93Å; L576-H580 VanDerWaalsContact CD2-CE1 3.45Å; L576-H580 WeakPolarHBondContact CD2-CE1 3.22Å; L576-H580 WeakPolarHBondContact CD2-ND1 3.47Å; L576-H580 PolarHBondContact O-N 3.44Å; L576-H580 PolarHBondContact O-ND1 3.42Å
577	K	83	Confident	79.4	Confident	147 Å²	147	105.5 Å²	105.5	64%	0.639	51%	0.51	S	S	*	.	H	α-helix	trans	-59	-45.6	171.8	-77.5	174	177.1	-179.8	0	111.4	T573 R574 K579 H580 L581	T573-K577 HydrophobicContact CG2-CD 4.27Å; T573-K577 WeakPolarHBondContact O-CB 3.35Å; T573-K577 VanDerWaalsContact O-CG 3.27Å; T573-K577 WeakPolarHBondContact O-CG 3.42Å; T573-K577 PolarHBondContact O-N 2.97Å; R574-K577 PolarHBondContact O-N 3.05Å; K577-K579 PolarHBondContact O-N 2.73Å; K577-H580 PolarHBondContact O-N 3.32Å; K577-L581 WeakPolarHBondContact O-CB 3.49Å; K577-L581 PolarHBondContact O-N 2.75Å
578	L	82.3	Confident	79.8	Confident	99 Å²	99	102.7 Å²	102.7	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-46.3	176.4	178.5	63.5	0	0	0	111.7	R574 E575 H580 L581 I582	R574-L578 WeakPolarHBondContact O-CB 3.43Å; R574-L578 PolarHBondContact O-N 2.96Å; E575-L578 PolarHBondContact O-N 3.48Å; L578-H580 VanDerWaalsContact C-N 3.33Å; L578-H580 PolarHBondContact O-N 3.43Å; L578-L581 PolarHBondContact O-N 3.5Å; L578-I582 HydrophobicContact CD1-CD1 4.2Å; L578-I582 HydrophobicContact CD1-CG1 4.5Å; L578-I582 HydrophobicContact CG-CD1 4.04Å; L578-I582 WeakPolarHBondContact O-CG1 3.06Å; L578-I582 PolarHBondContact O-N 3.38Å
579	K	81.2	Confident	80	Confident	100 Å²	100	104.4 Å²	104.4	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-60.3	-41.2	176	-73.6	166.7	-177	165.2	0	112	E575 L576 K577 I582 I583	E575-K579 VanDerWaalsContact CD-CE 3.46Å; E575-K579 WeakPolarHBondContact O-CG 3.23Å; E575-K579 PolarHBondContact O-N 3.3Å; E575-K579 WeakPolarHBondContact OE1-CE 3.4Å; E575-K579 IonicContact OE1-NZ 3.44Å; E575-K579 PolarHBondContact OE1-NZ 3.22Å; E575-K579 IonicContact OE2-NZ 2.72Å; E575-K579 PolarHBondContact OE2-NZ 2.96Å; L576-K579 PolarHBondContact O-N 2.93Å; K577-K579 PolarHBondContact O-N 2.73Å; K579-I582 PolarHBondContact O-N 3.05Å; K579-I583 WeakPolarHBondContact O-CD1 3.42Å; K579-I583 VanDerWaalsContact O-CG1 3.24Å; K579-I583 WeakPolarHBondContact O-CG1 3.4Å; K579-I583 PolarHBondContact O-N 3.33Å
580	H	81.5	Confident	79.9	Confident	91 Å²	91	104 Å²	104	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.4	-79.3	70.5	0	0	0	112.1	L576 K577 L578 I582 I583 E584	L576-H580 VanDerWaalsContact CD2-CE1 3.45Å; L576-H580 WeakPolarHBondContact CD2-CE1 3.22Å; L576-H580 WeakPolarHBondContact CD2-ND1 3.47Å; L576-H580 PolarHBondContact O-N 3.44Å; L576-H580 PolarHBondContact O-ND1 3.42Å; K577-H580 PolarHBondContact O-N 3.32Å; L578-H580 VanDerWaalsContact C-N 3.33Å; L578-H580 PolarHBondContact O-N 3.43Å; H580-I582 VanDerWaalsContact C-N 3.29Å; H580-I582 PolarHBondContact O-N 3.5Å; H580-I583 PolarHBondContact O-N 2.87Å; H580-I583 VanDerWaalsContact O-N 3.12Å; H580-E584 WeakPolarHBondContact O-CG 3.47Å; H580-E584 PolarHBondContact O-N 3.47Å
581	L	81.9	Confident	79.7	Confident	100 Å²	100	103.6 Å²	103.6	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-38.9	177.1	-168.8	73.1	0	0	0	112	K577 L578 E584 N585	K577-L581 WeakPolarHBondContact O-CB 3.49Å; K577-L581 PolarHBondContact O-N 2.75Å; L578-L581 PolarHBondContact O-N 3.5Å; L581-E584 PolarHBondContact O-N 3.28Å; L581-N585 WeakPolarHBondContact CD1-ND2 3.27Å; L581-N585 WeakPolarHBondContact O-CB 3.46Å; L581-N585 PolarHBondContact O-N 3.34Å; L581-N585 PolarHBondContact O-ND2 2.8Å
582	I	81.8	Confident	79.6	Confident	82 Å²	82	99.3 Å²	99.3	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-46.2	174	-68	165	0	0	0	110.7	L578 K579 H580 E584 N585 F586	L578-I582 HydrophobicContact CD1-CD1 4.2Å; L578-I582 HydrophobicContact CD1-CG1 4.5Å; L578-I582 HydrophobicContact CG-CD1 4.04Å; L578-I582 WeakPolarHBondContact O-CG1 3.06Å; L578-I582 PolarHBondContact O-N 3.38Å; K579-I582 PolarHBondContact O-N 3.05Å; H580-I582 VanDerWaalsContact C-N 3.29Å; H580-I582 PolarHBondContact O-N 3.5Å; I582-E584 VanDerWaalsContact C-N 3.3Å; I582-E584 PolarHBondContact O-N 3.39Å; I582-N585 PolarHBondContact O-N 2.88Å; I582-F586 HydrophobicContact CG2-CD2 4.33Å; I582-F586 WeakPolarHBondContact O-CB 2.9Å; I582-F586 PolarHBondContact O-N 2.92Å
583	I	79.8	Confident	79.9	Confident	57 Å²	57	98.5 Å²	98.5	29%	0.292	48%	0.478	S	S	.	.	H	α-helix	trans	-59.7	-40.9	177.4	-70.1	162.9	0	0	0	111	K579 H580 I587 K592	K579-I583 WeakPolarHBondContact O-CD1 3.42Å; K579-I583 VanDerWaalsContact O-CG1 3.24Å; K579-I583 WeakPolarHBondContact O-CG1 3.4Å; K579-I583 PolarHBondContact O-N 3.33Å; H580-I583 PolarHBondContact O-N 2.87Å; H580-I583 VanDerWaalsContact O-N 3.12Å; I583-I587 HydrophobicContact CB-CD1 4.34Å; I583-I587 HydrophobicContact CG1-CD1 3.99Å; I583-I587 HydrophobicContact CG2-CD1 4.35Å; I583-I587 WeakPolarHBondContact O-CB 3.48Å; I583-I587 PolarHBondContact O-N 3.43Å; I583-K592 HydrophobicContact CG2-CD 3.83Å; I583-K592 HydrophobicContact CG2-CG 4.27Å
584	E	79.4	Confident	79.7	Confident	118 Å²	118	101 Å²	101	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-76.3	-33.1	-176.4	-71.7	178.3	170.2	0	0	114	H580 L581 I582 K592	H580-E584 WeakPolarHBondContact O-CG 3.47Å; H580-E584 PolarHBondContact O-N 3.47Å; L581-E584 PolarHBondContact O-N 3.28Å; I582-E584 VanDerWaalsContact C-N 3.3Å; I582-E584 PolarHBondContact O-N 3.39Å; E584-K592 IonicContact OE1-NZ 3.89Å
585	N	79.5	Confident	79.6	Confident	112 Å²	112	97.1 Å²	97.1	60%	0.599	48%	0.475	S	S	*	.	H	α-helix	trans	-92.7	-27.2	-178.4	-70.1	-81.1	0	0	0	114	L581 I582	L581-N585 WeakPolarHBondContact CD1-ND2 3.27Å; L581-N585 WeakPolarHBondContact O-CB 3.46Å; L581-N585 PolarHBondContact O-N 3.34Å; L581-N585 PolarHBondContact O-ND2 2.8Å; I582-N585 PolarHBondContact O-N 2.88Å
586	F	81.1	Confident	79.6	Confident	169 Å²	169	97.6 Å²	97.6	74%	0.741	48%	0.48	S	S	*	.	H	α-helix	trans	-115.2	-11.3	-172.6	-64.1	-89.3	0	0	0	115	I582	I582-F586 HydrophobicContact CG2-CD2 4.33Å; I582-F586 WeakPolarHBondContact O-CB 2.9Å; I582-F586 PolarHBondContact O-N 2.92Å
587	I	77.9	Confident	79.7	Confident	61 Å²	61	99.2 Å²	99.2	31%	0.313	49%	0.489	S	S	.	.	S	Bend	trans	-111.2	117.9	176.9	-51.8	-177	0	0	0	109.5	I583 L589 E591 K592	I583-I587 HydrophobicContact CB-CD1 4.34Å; I583-I587 HydrophobicContact CG1-CD1 3.99Å; I583-I587 HydrophobicContact CG2-CD1 4.35Å; I583-I587 WeakPolarHBondContact O-CB 3.48Å; I583-I587 PolarHBondContact O-N 3.43Å; I587-L589 PolarHBondContact O-N 2.9Å; I587-E591 HydrophobicContact CG2-CB 4.26Å; I587-K592 HydrophobicContact CG2-CB 4.41Å
588	P	87.1	Confident	79.6	Confident	76 Å²	76	95.4 Å²	95.4	49%	0.494	47%	0.471	S	S	.	.			trans	-53.9	139.9	174.3	-26.9	35.3	0	0	0	112.2	E590 E591 K592	P588-E590 WeakPolarHBondContact CB-OE2 3.12Å; P588-E590 PolarHBondContact O-N 3.03Å; P588-E590 VanDerWaalsContact O-N 3.16Å; P588-E591 PolarHBondContact O-N 2.72Å; P588-K592 PolarHBondContact O-N 2.86Å
589	L	74.9	Confident	79.6	Confident	109 Å²	109	92 Å²	92	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-58.9	-31.8	-175.2	-67.1	172.8	0	0	0	112.2	I587 K592 N593	I587-L589 PolarHBondContact O-N 2.9Å; L589-K592 PolarHBondContact O-N 3.41Å; L589-N593 WeakPolarHBondContact O-CB 3.28Å; L589-N593 PolarHBondContact O-N 2.84Å; L589-N593 PolarHBondContact O-ND2 2.66Å
590	E	76.3	Confident	79.7	Confident	122 Å²	122	91 Å²	91	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-41.7	176.1	-58.1	75	-165.2	0	0	111.8	P588 K594	P588-E590 WeakPolarHBondContact CB-OE2 3.12Å; P588-E590 PolarHBondContact O-N 3.03Å; P588-E590 VanDerWaalsContact O-N 3.16Å; E590-K594 WeakPolarHBondContact O-CB 3.47Å; E590-K594 WeakPolarHBondContact O-CD 3.3Å; E590-K594 WeakPolarHBondContact O-CG 3.5Å; E590-K594 PolarHBondContact O-N 2.96Å
591	E	75.5	Confident	79.7	Confident	86 Å²	86	90.7 Å²	90.7	40%	0.402	45%	0.45	S	S	.	.	H	α-helix	trans	-75.2	-38.7	177.7	-65.1	-53.7	137.1	0	0	111.5	I587 P588 N593 K594 I595	I587-E591 HydrophobicContact CG2-CB 4.26Å; P588-E591 PolarHBondContact O-N 2.72Å; E591-N593 VanDerWaalsContact C-N 3.32Å; E591-N593 PolarHBondContact O-N 2.78Å; E591-K594 PolarHBondContact O-N 3.38Å; E591-K594 IonicContact OE1-NZ 2.78Å; E591-K594 PolarHBondContact OE1-NZ 2.93Å; E591-I595 WeakPolarHBondContact O-CB 3.35Å; E591-I595 VanDerWaalsContact O-CG1 3.27Å; E591-I595 WeakPolarHBondContact O-CG1 3.19Å; E591-I595 PolarHBondContact O-N 2.85Å
592	K	76.2	Confident	79.7	Confident	52 Å²	52	87.5 Å²	87.5	23%	0.226	43%	0.433	C	S	.	.	H	α-helix	trans	-54.6	-48.1	171.2	-175.5	179.7	-179.3	176.8	0	110.9	I583 E584 I587 P588 L589 I595 L596	I583-K592 HydrophobicContact CG2-CD 3.83Å; I583-K592 HydrophobicContact CG2-CG 4.27Å; E584-K592 IonicContact OE1-NZ 3.89Å; I587-K592 HydrophobicContact CG2-CB 4.41Å; P588-K592 PolarHBondContact O-N 2.86Å; L589-K592 PolarHBondContact O-N 3.41Å; K592-I595 PolarHBondContact O-N 3.07Å; K592-L596 HydrophobicContact CG-CD1 4.15Å; K592-L596 WeakPolarHBondContact O-CG 3.33Å; K592-L596 PolarHBondContact O-N 3.02Å
593	N	79.4	Confident	79.3	Confident	86 Å²	86	90 Å²	90	46%	0.46	45%	0.448	S	S	.	.	H	α-helix	trans	-68.9	-39.7	179.4	-69.8	-19.2	0	0	0	112.8	L589 E591 I595 L596 N597	L589-N593 WeakPolarHBondContact O-CB 3.28Å; L589-N593 PolarHBondContact O-N 2.84Å; L589-N593 PolarHBondContact O-ND2 2.66Å; E591-N593 VanDerWaalsContact C-N 3.32Å; E591-N593 PolarHBondContact O-N 2.78Å; N593-I595 VanDerWaalsContact C-N 3.28Å; N593-I595 PolarHBondContact O-N 3Å; N593-L596 PolarHBondContact O-N 2.89Å; N593-N597 WeakPolarHBondContact O-CB 3.2Å; N593-N597 VanDerWaalsContact O-CG 3.23Å; N593-N597 PolarHBondContact O-N 3.5Å; N593-N597 PolarHBondContact O-ND2 2.97Å
594	K	78.5	Confident	78.5	Confident	104 Å²	104	96 Å²	96	45%	0.452	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-37	172.6	-73.8	165.5	-163.7	172.2	0	112.3	E590 E591 R598	E590-K594 WeakPolarHBondContact O-CB 3.47Å; E590-K594 WeakPolarHBondContact O-CD 3.3Å; E590-K594 WeakPolarHBondContact O-CG 3.5Å; E590-K594 PolarHBondContact O-N 2.96Å; E591-K594 PolarHBondContact O-N 3.38Å; E591-K594 IonicContact OE1-NZ 2.78Å; E591-K594 PolarHBondContact OE1-NZ 2.93Å; K594-R598 WeakPolarHBondContact O-CB 3.49Å; K594-R598 VanDerWaalsContact O-CD 3.32Å; K594-R598 WeakPolarHBondContact O-CD 3.48Å; K594-R598 VanDerWaalsContact O-CG 3.27Å; K594-R598 WeakPolarHBondContact O-CG 3.24Å; K594-R598 PolarHBondContact O-N 3.06Å
595	I	78.3	Confident	77.9	Confident	77 Å²	77	95.6 Å²	95.6	40%	0.395	47%	0.473	S	S	.	.	H	α-helix	trans	-69.3	-51.3	177.4	-71.9	166.5	0	0	0	109.9	E591 K592 N593 N597 R598 A599 M610	E591-I595 WeakPolarHBondContact O-CB 3.35Å; E591-I595 VanDerWaalsContact O-CG1 3.27Å; E591-I595 WeakPolarHBondContact O-CG1 3.19Å; E591-I595 PolarHBondContact O-N 2.85Å; K592-I595 PolarHBondContact O-N 3.07Å; N593-I595 VanDerWaalsContact C-N 3.28Å; N593-I595 PolarHBondContact O-N 3Å; I595-N597 PolarHBondContact O-N 3.29Å; I595-R598 CarbonylContact O-C 3.56Å; I595-R598 PolarHBondContact O-N 3.29Å; I595-R598 VanDerWaalsContact O-N 3.09Å; I595-A599 WeakPolarHBondContact O-CB 3.27Å; I595-A599 PolarHBondContact O-N 3.45Å; I595-M610 HydrophobicContact CB-CE 4.19Å; I595-M610 HydrophobicContact CG1-CE 4.46Å; I595-M610 HydrophobicContact CG2-CE 3.76Å; I595-M610 WeakPolarHBondContact O-CE 3.45Å
596	L	77.6	Confident	77.6	Confident	104 Å²	104	97.2 Å²	97.2	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-59.2	-45	179.9	-72.2	169.4	0	0	0	112.6	K592 N593 R598 A599	K592-L596 HydrophobicContact CG-CD1 4.15Å; K592-L596 WeakPolarHBondContact O-CG 3.33Å; K592-L596 PolarHBondContact O-N 3.02Å; N593-L596 PolarHBondContact O-N 2.89Å; L596-R598 PolarHBondContact O-N 2.84Å; L596-R598 VanDerWaalsContact O-N 3.17Å; L596-A599 PolarHBondContact O-N 3.48Å
597	N	81.1	Confident	77.1	Confident	131 Å²	131	91.5 Å²	91.5	70%	0.701	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.8	178.8	-68.3	-9.8	0	0	0	113.9	N593 I595	N593-N597 WeakPolarHBondContact O-CB 3.2Å; N593-N597 VanDerWaalsContact O-CG 3.23Å; N593-N597 PolarHBondContact O-N 3.5Å; N593-N597 PolarHBondContact O-ND2 2.97Å; I595-N597 PolarHBondContact O-N 3.29Å
598	R	80.1	Confident	77	Confident	67 Å²	67	97.4 Å²	97.4	25%	0.253	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-19.9	178.3	-73.2	172.6	55	-137.3	-10.3	113.1	K594 I595 L596 M610 K611 I613	K594-R598 WeakPolarHBondContact O-CB 3.49Å; K594-R598 VanDerWaalsContact O-CD 3.32Å; K594-R598 WeakPolarHBondContact O-CD 3.48Å; K594-R598 VanDerWaalsContact O-CG 3.27Å; K594-R598 WeakPolarHBondContact O-CG 3.24Å; K594-R598 PolarHBondContact O-N 3.06Å; I595-R598 CarbonylContact O-C 3.56Å; I595-R598 PolarHBondContact O-N 3.29Å; I595-R598 VanDerWaalsContact O-N 3.09Å; L596-R598 PolarHBondContact O-N 2.84Å; L596-R598 VanDerWaalsContact O-N 3.17Å; R598-M610 HydrophobicContact CB-CE 3.85Å; R598-M610 CarbonylContact O-C 3.56Å; R598-M610 WeakPolarHBondContact O-CA 3.37Å; R598-K611 HydrophobicContact CB-CB 4.34Å; R598-K611 HydrophobicContact CG-CB 4.46Å; R598-K611 VanDerWaalsContact CZ-O 3.28Å; R598-K611 PolarHBondContact NE-O 3.24Å; R598-K611 PolarHBondContact NH2-O 2.75Å; R598-K611 PolarHBondContact O-N 2.94Å; R598-I613 VanDerWaalsContact CZ-CG1 3.44Å
599	A	82.5	Confident	76.4	Confident	27 Å²	27	97.2 Å²	97.2	22%	0.223	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.4	173	0	0	0	0	0	109.4	I595 L596 W608 K609 M610	I595-A599 WeakPolarHBondContact O-CB 3.27Å; I595-A599 PolarHBondContact O-N 3.45Å; L596-A599 PolarHBondContact O-N 3.48Å; A599-W608 HydrophobicContact CB-CE3 3.94Å; A599-W608 HydrophobicContact CB-CZ3 4.25Å; A599-K609 WeakPolarHBondContact CA-O 3.21Å; A599-M610 HydrophobicContact CB-CE 4.35Å
600	F	83.4	Confident	76.5	Confident	79 Å²	79	96.5 Å²	96.5	35%	0.346	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.4	165.6	65.9	-81.8	0	0	0	108.2	D602 W608 K609 K611	F600-D602 HydrophobicContact CE2-CB 4.4Å; F600-W608 WeakPolarHBondContact O-CA 3.35Å; F600-K609 HydrophobicContact CD1-CB 4.43Å; F600-K609 WeakPolarHBondContact CD1-O 3.37Å; F600-K609 HydrophobicContact CE1-CB 3.84Å; F600-K609 HydrophobicContact CE2-CB 4.01Å; F600-K609 HydrophobicContact CZ-CB 3.6Å; F600-K609 HydrophobicContact CZ-CD 4.44Å; F600-K609 PolarHBondContact N-O 3.38Å; F600-K609 PolarHBondContact O-N 3.2Å; F600-K611 HydrophobicContact CD1-CG 3.9Å; F600-K611 HydrophobicContact CE1-CG 3.92Å
601	F	80.9	Confident	76.4	Confident	86 Å²	86	96.5 Å²	96.5	38%	0.377	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.6	170.8	-168.6	-105.1	0	0	0	108.1	D603 E606 W608	F601-D603 WeakPolarHBondContact CD1-OD1 3.43Å; F601-E606 HydrophobicContact CZ-CB 4.33Å; F601-W608 HydrophobicContact CB-CD2 4.29Å; F601-W608 HydrophobicContact CB-CE3 4.23Å; F601-W608 HydrophobicContact CB-CH2 4.28Å; F601-W608 HydrophobicContact CB-CZ2 4.31Å; F601-W608 HydrophobicContact CB-CZ3 4.24Å; F601-W608 AromaticContact CD2-CD1 3.87Å; F601-W608 HydrophobicContact CD2-CD2 4.09Å; F601-W608 AromaticContact CD2-CE2 3.86Å; F601-W608 HydrophobicContact CD2-CG 4.12Å; F601-W608 HydrophobicContact CD2-CZ2 4.43Å; F601-W608 AromaticContact CD2-NE1 3.69Å
602	D	82	Confident	75.7	Confident	32 Å²	32	95.2 Å²	95.2	17%	0.171	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.4	174.7	-170.3	-35.6	0	0	0	108.1	F600 E604 E605 E606 C607 K609	F600-D602 HydrophobicContact CE2-CB 4.4Å; D602-E604 VanDerWaalsContact C-N 3.27Å; D602-E604 PolarHBondContact O-N 3Å; D602-E604 PolarHBondContact OD1-N 3.07Å; D602-E604 VanDerWaalsContact OD1-N 3.13Å; D602-E605 HydrophobicContact CB-CB 4.34Å; D602-E605 PolarHBondContact O-N 2.87Å; D602-E605 PolarHBondContact OD1-N 2.8Å; D602-E606 WeakPolarHBondContact O-CA 3.41Å; D602-E606 PolarHBondContact O-N 3.4Å; D602-C607 PolarHBondContact N-O 2.82Å; D602-C607 PolarHBondContact O-N 2.83Å; D602-K609 HydrophobicContact CB-CD 3.95Å; D602-K609 HydrophobicContact CB-CG 4.29Å; D602-K609 VanDerWaalsContact OD2-CD 3.31Å; D602-K609 WeakPolarHBondContact OD2-CD 3.21Å; D602-K609 WeakPolarHBondContact OD2-CE 3.44Å; D602-K609 IonicContact OD2-NZ 2.88Å; D602-K609 PolarHBondContact OD2-NZ 2.9Å
603	D	74.8	Confident	74.9	Confident	135 Å²	135	97.8 Å²	97.8	72%	0.722	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.3	-175.5	-67.9	-46.3	0	0	0	113.2	F601	F601-D603 WeakPolarHBondContact CD1-OD1 3.43Å
604	E	61.4	Low	73.6	Confident	184 Å²	184	97.8 Å²	97.8	86%	0.86	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-31.1	177.6	-62.7	-169.6	162.1	0	0	111.8	D602	D602-E604 VanDerWaalsContact C-N 3.27Å; D602-E604 PolarHBondContact O-N 3Å; D602-E604 PolarHBondContact OD1-N 3.07Å; D602-E604 VanDerWaalsContact OD1-N 3.13Å
605	E	68.4	Low	72.1	Confident	109 Å²	109	101.9 Å²	101.9	51%	0.509	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	5.1	-172.7	-67.3	-89.4	151.3	0	0	113.1	D602 C607	D602-E605 HydrophobicContact CB-CB 4.34Å; D602-E605 PolarHBondContact O-N 2.87Å; D602-E605 PolarHBondContact OD1-N 2.8Å; E605-C607 PolarHBondContact O-N 3.08Å; E605-C607 PolarHBondContact O-SG 3.49Å; E605-C607 VanDerWaalsContact O-SG 3.41Å
606	E	72.6	Confident	70.4	Confident	146 Å²	146	104.4 Å²	104.4	68%	0.682	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	32.6	179.8	-64.6	-178.3	160.4	0	0	114.5	F601 D602	F601-E606 HydrophobicContact CZ-CB 4.33Å; D602-E606 WeakPolarHBondContact O-CA 3.41Å; D602-E606 PolarHBondContact O-N 3.4Å
607	C	69.6	Low	68.8	Low	48 Å²	48	108.2 Å²	108.2	32%	0.324	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150	-173.9	65.7	0	0	0	0	114.3	D602 E605 K609	D602-C607 PolarHBondContact N-O 2.82Å; D602-C607 PolarHBondContact O-N 2.83Å; E605-C607 PolarHBondContact O-N 3.08Å; E605-C607 PolarHBondContact O-SG 3.49Å; E605-C607 VanDerWaalsContact O-SG 3.41Å; C607-K609 PolarHBondContact O-N 3.47Å; C607-K609 VanDerWaalsContact SG-CE 3.55Å
608	W	75.8	Confident	67	Low	185 Å²	185	109.5 Å²	109.5	70%	0.701	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	110	174.3	-73.3	93.2	0	0	0	110.6	A599 F600 F601	A599-W608 HydrophobicContact CB-CE3 3.94Å; A599-W608 HydrophobicContact CB-CZ3 4.25Å; F600-W608 WeakPolarHBondContact O-CA 3.35Å; F601-W608 HydrophobicContact CB-CD2 4.29Å; F601-W608 HydrophobicContact CB-CE3 4.23Å; F601-W608 HydrophobicContact CB-CH2 4.28Å; F601-W608 HydrophobicContact CB-CZ2 4.31Å; F601-W608 HydrophobicContact CB-CZ3 4.24Å; F601-W608 AromaticContact CD2-CD1 3.87Å; F601-W608 HydrophobicContact CD2-CD2 4.09Å; F601-W608 AromaticContact CD2-CE2 3.86Å; F601-W608 HydrophobicContact CD2-CG 4.12Å; F601-W608 HydrophobicContact CD2-CZ2 4.43Å; F601-W608 AromaticContact CD2-NE1 3.69Å
609	K	75.9	Confident	65.1	Low	73 Å²	73	110.4 Å²	110.4	32%	0.317	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	152.1	175	-67	-176.7	-174.6	170.7	0	110.4	A599 F600 D602 C607	A599-K609 WeakPolarHBondContact CA-O 3.21Å; F600-K609 HydrophobicContact CD1-CB 4.43Å; F600-K609 WeakPolarHBondContact CD1-O 3.37Å; F600-K609 HydrophobicContact CE1-CB 3.84Å; F600-K609 HydrophobicContact CE2-CB 4.01Å; F600-K609 HydrophobicContact CZ-CB 3.6Å; F600-K609 HydrophobicContact CZ-CD 4.44Å; F600-K609 PolarHBondContact N-O 3.38Å; F600-K609 PolarHBondContact O-N 3.2Å; D602-K609 HydrophobicContact CB-CD 3.95Å; D602-K609 HydrophobicContact CB-CG 4.29Å; D602-K609 VanDerWaalsContact OD2-CD 3.31Å; D602-K609 WeakPolarHBondContact OD2-CD 3.21Å; D602-K609 WeakPolarHBondContact OD2-CE 3.44Å; D602-K609 IonicContact OD2-NZ 2.88Å; D602-K609 PolarHBondContact OD2-NZ 2.9Å; C607-K609 PolarHBondContact O-N 3.47Å; C607-K609 VanDerWaalsContact SG-CE 3.55Å
610	M	76.1	Confident	63.2	Low	93 Å²	93	115.3 Å²	115.3	46%	0.458	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	128.1	-179.9	-64.9	-146.9	81.5	0	0	111.8	I595 R598 A599	I595-M610 HydrophobicContact CB-CE 4.19Å; I595-M610 HydrophobicContact CG1-CE 4.46Å; I595-M610 HydrophobicContact CG2-CE 3.76Å; I595-M610 WeakPolarHBondContact O-CE 3.45Å; R598-M610 HydrophobicContact CB-CE 3.85Å; R598-M610 CarbonylContact O-C 3.56Å; R598-M610 WeakPolarHBondContact O-CA 3.37Å; A599-M610 HydrophobicContact CB-CE 4.35Å
611	K	75.3	Confident	61.2	Low	123 Å²	123	117.6 Å²	117.6	54%	0.535	60%	0.595	S	S	.	*			trans	-61	140.2	171.4	-65.2	177.7	-178.8	175.8	0	110.8	R598 F600	R598-K611 HydrophobicContact CB-CB 4.34Å; R598-K611 HydrophobicContact CG-CB 4.46Å; R598-K611 VanDerWaalsContact CZ-O 3.28Å; R598-K611 PolarHBondContact NE-O 3.24Å; R598-K611 PolarHBondContact NH2-O 2.75Å; R598-K611 PolarHBondContact O-N 2.94Å; F600-K611 HydrophobicContact CD1-CG 3.9Å; F600-K611 HydrophobicContact CE1-CG 3.92Å
612	A	59.4	Low	59.5	Low	59 Å²	59	121.6 Å²	121.6	49%	0.488	61%	0.614	S	S	.	*			trans	-63.8	157.7	-177.8	0	0	0	0	0	112.8	T614	A612-T614 PolarHBondContact O-N 3.44Å
613	I	59.7	Low	57.6	Low	105 Å²	105	128.1 Å²	128.1	54%	0.538	64%	0.644	S	S	.	*			trans	-87.6	87.4	172.5	-52.5	177.2	0	0	0	108.5	R598 M625	R598-I613 VanDerWaalsContact CZ-CG1 3.44Å; I613-M625 HydrophobicContact CG2-SD 4.34Å
614	T	52	Low	56.2	Low	86 Å²	86	127.1 Å²	127.1	53%	0.528	64%	0.636	S	S	.	*			trans	-92.3	132.8	159.1	42.7	0	0	0	0	108.5	A612	A612-T614 PolarHBondContact O-N 3.44Å
615	R	47.2	Very low	55.4	Low	191 Å²	191	123.7 Å²	123.7	72%	0.721	62%	0.621	S	S	*	*			trans	-92.7	147.1	159.4	-84.7	-173.9	170.6	179	-2.6	107	M625	R615-M625 HydrophobicContact CG-SD 4.33Å
616	I	42.8	Very low	54.5	Low	130 Å²	130	123.7 Å²	123.7	67%	0.667	63%	0.634	S	S	*	*			trans	81.9	96	178.7	-52.6	161	0	0	0	111.6
617	E	43.4	Very low	53.2	Low	183 Å²	183	123.6 Å²	123.6	86%	0.855	63%	0.627	S	S	*	*	S	Bend	trans	-59.8	140.8	141.9	-64.1	167.4	163.3	0	0	106.5
618	D	43.8	Very low	52.3	Low	158 Å²	158	126.2 Å²	126.2	85%	0.845	64%	0.643	S	S	*	*	S	Bend	trans	80.5	53	-175.3	-50.8	-26	0	0	0	118
619	S	39.6	Very low	51.1	Low	87 Å²	87	121.8 Å²	121.8	61%	0.608	64%	0.639	S	S	*	*			trans	-160.6	145	139.1	-5.1	0	0	0	0	112.1	D621	S619-D621 PolarHBondContact O-N 3.01Å
620	S	42.9	Very low	49.9	Very low	129 Å²	129	119.4 Å²	119.4	90%	0.902	63%	0.631	S	S	*	*	S	Bend	trans	-78.4	32	-177.4	57.4	0	0	0	0	114.6
621	D	42.2	Very low	48.8	Very low	127 Å²	127	120.3 Å²	120.3	68%	0.679	65%	0.653	S	S	*	*			trans	-128.9	112.8	179.7	-109.9	-36.6	0	0	0	110.1	S619 Q623	S619-D621 PolarHBondContact O-N 3.01Å; D621-Q623 PolarHBondContact O-N 3.39Å
622	H	44.3	Very low	47.9	Very low	170 Å²	170	119.7 Å²	119.7	79%	0.787	66%	0.66	S	S	*	*			trans	-77.2	58.7	178.6	-74.4	-14.8	0	0	0	112.4	M624	H622-M624 PolarHBondContact O-N 2.94Å
623	Q	42.4	Very low	47.7	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	66%	0.664	S	S	*	*			trans	-81.1	104.5	179.3	-143.1	171.6	65.7	0	0	110.7	D621	D621-Q623 PolarHBondContact O-N 3.39Å
624	M	45	Very low	47.2	Very low	113 Å²	113	123 Å²	123	56%	0.557	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.8	145.8	176	-59.9	-168.9	97.4	0	0	111.3	H622 S626 M652	H622-M624 PolarHBondContact O-N 2.94Å; M624-S626 PolarHBondContact O-N 2.89Å; M624-S626 VanDerWaalsContact O-N 3.12Å; M624-M652 HydrophobicContact CE-CE 4.49Å
625	M	44.3	Very low	47.3	Very low	112 Å²	112	130.8 Å²	130.8	55%	0.552	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-53.1	119.5	176.5	-68.2	-174.3	65.3	0	0	112.2	I613 R615	I613-M625 HydrophobicContact CG2-SD 4.34Å; R615-M625 HydrophobicContact CG-SD 4.33Å
626	S	49.6	Very low	47.5	Very low	110 Å²	110	127.7 Å²	127.7	77%	0.769	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-67.2	136.6	165.1	-175.9	0	0	0	0	109.7	M624	M624-S626 PolarHBondContact O-N 2.89Å; M624-S626 VanDerWaalsContact O-N 3.12Å
627	R	46.3	Very low	47.9	Very low	144 Å²	144	127.1 Å²	127.1	54%	0.543	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-67.3	134.1	175.7	-146	173.3	-162.5	-121.1	3.3	108	A656 E657	R627-A656 VanDerWaalsContact CZ-O 3.3Å; R627-A656 PolarHBondContact NH2-O 3.2Å; R627-E657 IonicContact CZ-OE1 2.69Å; R627-E657 IonicContact NH1-OE1 3.72Å; R627-E657 PolarHBondContact NH1-OE1 3.07Å; R627-E657 IonicContact NH1-OE2 3.62Å; R627-E657 PolarHBondContact NH1-OE2 3.02Å
628	P	50.2	Low	48.4	Very low	103 Å²	103	122.1 Å²	122.1	67%	0.669	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.9	143.9	177.7	23.5	-33.3	0	0	0	110.3
629	P	50.2	Low	48.8	Very low	92 Å²	92	117.9 Å²	117.9	60%	0.597	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.5	165.2	176.5	26.1	-34	0	0	0	110.8
630	S	51.3	Low	49.4	Very low	22 Å²	22	120.8 Å²	120.8	15%	0.154	65%	0.65	C	S	.	*	P	Polyproline II helix	trans	-57.2	160	167.9	65.8	0	0	0	0	110.5	V632 G633 Y634	S630-V632 PolarHBondContact O-N 2.92Å; S630-G633 PolarHBondContact O-N 2.76Å; S630-Y634 WeakPolarHBondContact CB-O 3.36Å; S630-Y634 PolarHBondContact N-O 3.32Å; S630-Y634 PolarHBondContact OG-N 2.92Å; S630-Y634 PolarHBondContact OG-O 3.35Å
631	A	52.1	Low	49.8	Very low	112 Å²	112	121.4 Å²	121.4	93%	0.926	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-12.3	177.1	0	0	0	0	0	113.7
632	V	57.7	Low	50.2	Low	111 Å²	111	115.9 Å²	115.9	67%	0.673	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	15	178.5	-152	0	0	0	0	111.8	S630 Y634	S630-V632 PolarHBondContact O-N 2.92Å; V632-Y634 HydrophobicContact CB-CD2 4.26Å; V632-Y634 HydrophobicContact CG1-CD2 4.28Å; V632-Y634 HydrophobicContact CG1-CE2 4.28Å; V632-Y634 VanDerWaalsContact O-CD2 3.23Å; V632-Y634 WeakPolarHBondContact O-CD2 3.49Å; V632-Y634 PolarHBondContact O-N 3.15Å
633	G	55.7	Low	50.8	Low	57 Å²	57	112.1 Å²	112.1	59%	0.588	59%	0.593	S	S	*	*	S	Bend	trans	78.2	-20	175.3	0	0	0	0	0	116.5	S630	S630-G633 PolarHBondContact O-N 2.76Å
634	Y	49.3	Very low	51.4	Low	177 Å²	177	107.8 Å²	107.8	69%	0.694	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-71.8	148.8	-179.5	-65.2	-77.2	0	0	0	113.5	S630 V632	S630-Y634 WeakPolarHBondContact CB-O 3.36Å; S630-Y634 PolarHBondContact N-O 3.32Å; S630-Y634 PolarHBondContact OG-N 2.92Å; S630-Y634 PolarHBondContact OG-O 3.35Å; V632-Y634 HydrophobicContact CB-CD2 4.26Å; V632-Y634 HydrophobicContact CG1-CD2 4.28Å; V632-Y634 HydrophobicContact CG1-CE2 4.28Å; V632-Y634 VanDerWaalsContact O-CD2 3.23Å; V632-Y634 WeakPolarHBondContact O-CD2 3.49Å; V632-Y634 PolarHBondContact O-N 3.15Å
635	R	52.4	Low	51.8	Low	249 Å²	249	103.6 Å²	103.6	94%	0.94	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-65.5	135.9	166.7	-74.8	-173.5	174.3	-168.1	-0.9	109.6
636	R	51.7	Low	52.3	Low	125 Å²	125	103.3 Å²	103.3	47%	0.472	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-76.2	143.3	179.3	-64.3	-179	178.5	-109.8	2.3	110.8	E657	R636-E657 WeakPolarHBondContact CB-OE1 3.33Å; R636-E657 WeakPolarHBondContact CD-OE1 3.34Å; R636-E657 WeakPolarHBondContact CD-OE2 3.39Å
637	P	51.9	Low	52.6	Low	118 Å²	118	108.6 Å²	108.6	77%	0.766	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-69.8	151.9	179	28.6	-34.4	0	0	0	112.2
638	L	52.9	Low	52.9	Low	78 Å²	78	109 Å²	109	41%	0.408	57%	0.569	S	S	.	*			trans	-111.2	147.4	-178.6	-68.2	171.4	0	0	0	111.2	A656	L638-A656 HydrophobicContact CD2-CB 3.99Å
639	S	54	Low	52.9	Low	70 Å²	70	110.9 Å²	110.9	49%	0.49	57%	0.567	S	S	.	*			trans	-80.3	153.5	174.4	73.1	0	0	0	0	111.9	H641 A642 H643	S639-H641 VanDerWaalsContact C-N 3.26Å; S639-H641 PolarHBondContact O-N 3.33Å; S639-A642 WeakPolarHBondContact O-CB 3.28Å; S639-A642 PolarHBondContact O-N 2.97Å; S639-A642 VanDerWaalsContact O-N 3.11Å; S639-A642 PolarHBondContact OG-N 2.78Å; S639-H643 PolarHBondContact O-N 3.38Å; S639-H643 VanDerWaalsContact O-N 3.14Å
640	H	50.9	Low	52.8	Low	148 Å²	148	113.2 Å²	113.2	69%	0.685	58%	0.581	S	S	*	*	H	α-helix	trans	-59.6	-36.5	178.2	-168	72.1	0	0	0	112.5	H643 I644	H640-H643 WeakPolarHBondContact O-CB 3.41Å; H640-H643 PolarHBondContact O-N 2.74Å; H640-I644 PolarHBondContact O-N 2.74Å; H640-I644 VanDerWaalsContact O-N 3.08Å
641	H	50.7	Low	52.4	Low	142 Å²	142	116.3 Å²	116.3	66%	0.657	60%	0.596	S	S	*	*	H	α-helix	trans	-62.4	-42	174.7	-175	83.9	0	0	0	112.3	S639 H643 I644 A645	S639-H641 VanDerWaalsContact C-N 3.26Å; S639-H641 PolarHBondContact O-N 3.33Å; H641-H643 VanDerWaalsContact C-N 3.32Å; H641-H643 PolarHBondContact O-N 2.97Å; H641-I644 PolarHBondContact O-N 3.39Å; H641-A645 WeakPolarHBondContact O-CB 3.48Å; H641-A645 PolarHBondContact O-N 2.78Å
642	A	52.3	Low	52	Low	11 Å²	11	117.2 Å²	117.2	9%	0.091	58%	0.583	C	S	.	*	H	α-helix	trans	-64.4	-36.7	175.6	0	0	0	0	0	112.1	S639 M646	S639-A642 WeakPolarHBondContact O-CB 3.28Å; S639-A642 PolarHBondContact O-N 2.97Å; S639-A642 VanDerWaalsContact O-N 3.11Å; S639-A642 PolarHBondContact OG-N 2.78Å; A642-M646 WeakPolarHBondContact O-CB 3.41Å; A642-M646 WeakPolarHBondContact O-CG 3.33Å; A642-M646 PolarHBondContact O-N 2.62Å; A642-M646 VanDerWaalsContact O-N 3.09Å
643	H	55.8	Low	51.3	Low	91 Å²	91	122 Å²	122	42%	0.421	59%	0.589	S	S	.	*	H	α-helix	trans	-64.5	-36.1	173.7	-84	-66.8	0	0	0	113.6	S639 H640 H641	S639-H643 PolarHBondContact O-N 3.38Å; S639-H643 VanDerWaalsContact O-N 3.14Å; H640-H643 WeakPolarHBondContact O-CB 3.41Å; H640-H643 PolarHBondContact O-N 2.74Å; H641-H643 VanDerWaalsContact C-N 3.32Å; H641-H643 PolarHBondContact O-N 2.97Å
644	I	55.5	Low	50.8	Low	79 Å²	79	126 Å²	126	41%	0.405	59%	0.587	S	S	.	*	H	α-helix	trans	-73.2	-45.8	176.2	-66.6	169.1	0	0	0	110.5	H640 H641 M646 R647 M648	H640-I644 PolarHBondContact O-N 2.74Å; H640-I644 VanDerWaalsContact O-N 3.08Å; H641-I644 PolarHBondContact O-N 3.39Å; I644-M646 VanDerWaalsContact C-N 3.32Å; I644-M646 PolarHBondContact O-N 2.91Å; I644-R647 PolarHBondContact O-N 3.49Å; I644-M648 HydrophobicContact CG2-CG 4.47Å; I644-M648 PolarHBondContact O-N 2.99Å
645	A	53.4	Low	50.5	Low	25 Å²	25	124.4 Å²	124.4	21%	0.207	58%	0.584	C	S	.	*	H	α-helix	trans	-58	-42.8	179.2	0	0	0	0	0	112.3	H641 R647 M648 K649	H641-A645 WeakPolarHBondContact O-CB 3.48Å; H641-A645 PolarHBondContact O-N 2.78Å; A645-R647 PolarHBondContact O-N 3.18Å; A645-R647 VanDerWaalsContact O-N 3.16Å; A645-M648 PolarHBondContact O-N 3.24Å; A645-K649 PolarHBondContact O-N 3.44Å
646	M	54.5	Low	49.8	Very low	105 Å²	105	114 Å²	114	52%	0.517	55%	0.551	S	S	.	*	H	α-helix	trans	-59.7	-22.3	175.2	-79.6	-175	171.5	0	0	114.6	A642 I644	A642-M646 WeakPolarHBondContact O-CB 3.41Å; A642-M646 WeakPolarHBondContact O-CG 3.33Å; A642-M646 PolarHBondContact O-N 2.62Å; A642-M646 VanDerWaalsContact O-N 3.09Å; I644-M646 VanDerWaalsContact C-N 3.32Å; I644-M646 PolarHBondContact O-N 2.91Å
647	R	56.3	Low	49.4	Very low	222 Å²	222	111 Å²	111	84%	0.838	54%	0.543	S	S	*	.	H	α-helix	trans	-89.8	-17.8	176.5	-68.2	179.8	179.5	-177.2	0.3	113.5	I644 A645	I644-R647 PolarHBondContact O-N 3.49Å; A645-R647 PolarHBondContact O-N 3.18Å; A645-R647 VanDerWaalsContact O-N 3.16Å
648	M	52.8	Low	48.9	Very low	153 Å²	153	110.8 Å²	110.8	75%	0.754	54%	0.535	S	S	*	.	H	α-helix	trans	-97.1	-41.5	-171.9	-73.1	-75.9	-178.5	0	0	113.1	I644 A645	I644-M648 HydrophobicContact CG2-CG 4.47Å; I644-M648 PolarHBondContact O-N 2.99Å; A645-M648 PolarHBondContact O-N 3.24Å
649	K	49.5	Very low	48.2	Very low	142 Å²	142	115 Å²	115	62%	0.617	56%	0.556	S	S	*	*			trans	-149.1	142	175	-78	-171.5	174.1	-178.9	0	111.9	A645 D651	A645-K649 PolarHBondContact O-N 3.44Å; K649-D651 HydrophobicContact CB-CB 4.22Å; K649-D651 PolarHBondContact O-N 3.07Å
650	P	47.2	Very low	47.4	Very low	140 Å²	140	118.1 Å²	118.1	91%	0.909	57%	0.567	S	S	*	*			trans	-78.8	46.2	171.3	35.7	-36.2	0	0	0	111.8
651	D	43.1	Very low	46.9	Very low	87 Å²	87	118.8 Å²	118.8	47%	0.465	57%	0.574	S	S	.	*			trans	-79.6	127.5	-172.3	-126.3	-42.4	0	0	0	111.6	K649 R653 Y654	K649-D651 HydrophobicContact CB-CB 4.22Å; K649-D651 PolarHBondContact O-N 3.07Å; D651-R653 PolarHBondContact O-N 3.43Å; D651-Y654 HydrophobicContact CB-CD2 4.33Å; D651-Y654 PolarHBondContact O-N 3.2Å
652	M	44.7	Very low	46.4	Very low	132 Å²	132	117.4 Å²	117.4	65%	0.65	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-63.8	-18.5	-173.1	-70.2	-178	66.9	0	0	113.9	M624 Y654	M624-M652 HydrophobicContact CE-CE 4.49Å; M652-Y654 VanDerWaalsContact C-N 3.35Å; M652-Y654 PolarHBondContact O-N 3.05Å
653	R	42.8	Very low	46.1	Very low	211 Å²	211	124.4 Å²	124.4	80%	0.796	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-75.5	-16.5	-176.4	-172.7	172	-86.8	178.5	-5.2	113.9	D651	D651-R653 PolarHBondContact O-N 3.43Å
654	Y	45	Very low	45.5	Very low	141 Å²	141	126.9 Å²	126.9	55%	0.553	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-116.6	44	-171.5	-61.1	-68.5	0	0	0	115	D651 M652	D651-Y654 HydrophobicContact CB-CD2 4.33Å; D651-Y654 PolarHBondContact O-N 3.2Å; M652-Y654 VanDerWaalsContact C-N 3.35Å; M652-Y654 PolarHBondContact O-N 3.05Å
655	K	44	Very low	45.1	Very low	144 Å²	144	130.8 Å²	130.8	63%	0.626	64%	0.643	S	S	*	*			trans	-92.9	122.1	158.8	-73.4	-178.3	177.4	176.3	0	109
656	A	37.3	Very low	44.5	Very low	30 Å²	30	137.6 Å²	137.6	25%	0.248	68%	0.675	C	S	.	*			trans	-52.5	163.1	-163.3	0	0	0	0	0	115.9	R627 L638	R627-A656 VanDerWaalsContact CZ-O 3.3Å; R627-A656 PolarHBondContact NH2-O 3.2Å; L638-A656 HydrophobicContact CD2-CB 3.99Å
657	E	42.8	Very low	44.3	Very low	62 Å²	62	137.5 Å²	137.5	29%	0.29	68%	0.682	S	S	.	*				-169.8	166.3	57.7	-76.7	170.7	-158.5	0	0	115.2	R627 R636	R627-E657 IonicContact CZ-OE1 2.69Å; R627-E657 IonicContact NH1-OE1 3.72Å; R627-E657 PolarHBondContact NH1-OE1 3.07Å; R627-E657 IonicContact NH1-OE2 3.62Å; R627-E657 PolarHBondContact NH1-OE2 3.02Å; R636-E657 WeakPolarHBondContact CB-OE1 3.33Å; R636-E657 WeakPolarHBondContact CD-OE1 3.34Å; R636-E657 WeakPolarHBondContact CD-OE2 3.39Å
658	N	41.4	Very low	44.1	Very low	114 Å²	114	132 Å²	132	61%	0.61	68%	0.678	S	S	*	*			trans	85.1	101.9	153.1	-57	-36.6	0	0	0	120.6
659	I	38.7	Very low	43.9	Very low	165 Å²	165	133 Å²	133	85%	0.846	67%	0.673	S	S	*	*				-121.3	126.1	127.5	-61.6	177.6	0	0	0	106.6
660	L	36.8	Very low	44.1	Very low	137 Å²	137	132.7 Å²	132.7	72%	0.717	68%	0.683	S	S	*	*			trans	-86	121.3	164.7	-95	158.4	0	0	0	107.6	L662	L660-L662 HydrophobicContact CB-CD1 4.43Å; L660-L662 PolarHBondContact O-N 3.46Å
661	L	40.3	Very low	44.6	Very low	161 Å²	161	131 Å²	131	84%	0.843	67%	0.67	S	S	*	*			trans	-82.9	93.8	162	-107.9	156.8	0	0	0	107.2
662	L	40.9	Very low	45.4	Very low	113 Å²	113	136.8 Å²	136.8	59%	0.592	69%	0.691	S	S	*	*			trans	-104.9	116.4	164.5	-86.5	158.2	0	0	0	106.7	L660 M664	L660-L662 HydrophobicContact CB-CD1 4.43Å; L660-L662 PolarHBondContact O-N 3.46Å; L662-M664 HydrophobicContact CB-CG 3.89Å; L662-M664 PolarHBondContact O-N 3.37Å
663	D	46.2	Very low	46	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	69%	0.693	S	S	*	*			trans	-68.3	88	162	-70.1	-35.4	0	0	0	107.2
664	M	42.9	Very low	46.7	Very low	142 Å²	142	136.2 Å²	136.2	70%	0.7	69%	0.689	S	S	*	*			trans	-85.4	116	174.9	-63.9	-141.9	-49.8	0	0	109.4	L662 L666	L662-M664 HydrophobicContact CB-CG 3.89Å; L662-M664 PolarHBondContact O-N 3.37Å; M664-L666 PolarHBondContact O-N 2.69Å; M664-L666 VanDerWaalsContact O-N 3.15Å
665	D	46.7	Very low	46.9	Very low	162 Å²	162	137.9 Å²	137.9	87%	0.866	70%	0.702	S	S	*	*			trans	-53.5	120.5	159.3	-80.6	-39.3	0	0	0	108.8	P667	D665-P667 VanDerWaalsContact O-CD 3.27Å; D665-P667 WeakPolarHBondContact O-CD 3.49Å
666	L	39.8	Very low	47	Very low	168 Å²	168	138.7 Å²	138.7	88%	0.88	71%	0.708	S	S	*	*			trans	-65.7	115.7	-175.1	-78.6	152.8	0	0	0	110.1	M664	M664-L666 PolarHBondContact O-N 2.69Å; M664-L666 VanDerWaalsContact O-N 3.15Å
667	P	50.4	Low	48	Very low	102 Å²	102	141.5 Å²	141.5	66%	0.662	72%	0.724	S	S	*	*			trans	-66.3	141.3	170.7	28.7	-33.3	0	0	0	109.3	D665 R669	D665-P667 VanDerWaalsContact O-CD 3.27Å; D665-P667 WeakPolarHBondContact O-CD 3.49Å; P667-R669 PolarHBondContact O-N 3.35Å; P667-R669 VanDerWaalsContact O-N 3.14Å
668	S	52.8	Low	48.7	Very low	108 Å²	108	145.4 Å²	145.4	76%	0.755	75%	0.752	S	S	*	*			trans	-53.3	119.9	176.8	53.3	0	0	0	0	111	T670	S668-T670 PolarHBondContact O-N 3.05Å; S668-T670 VanDerWaalsContact O-N 3.12Å
669	R	49.4	Very low	49.4	Very low	174 Å²	174	145 Å²	145	66%	0.657	75%	0.748	S	S	*	*			trans	-32.3	105.4	-176.4	-178.3	-177.7	176.7	-177.2	1.6	114.6	P667 E673	P667-R669 PolarHBondContact O-N 3.35Å; P667-R669 VanDerWaalsContact O-N 3.14Å; R669-E673 IonicContact CZ-OE1 2.81Å; R669-E673 IonicContact NH1-OE1 3.62Å; R669-E673 VanDerWaalsContact NH2-CD 3.33Å; R669-E673 IonicContact NH2-OE1 3.2Å; R669-E673 PolarHBondContact NH2-OE1 3Å
670	T	53.4	Low	50.6	Low	135 Å²	135	139.7 Å²	139.7	83%	0.828	73%	0.729	S	S	*	*			trans	-101.4	6.1	173.7	44.6	0	0	0	0	114	S668	S668-T670 PolarHBondContact O-N 3.05Å; S668-T670 VanDerWaalsContact O-N 3.12Å
671	T	56.7	Low	51.8	Low	104 Å²	104	138.3 Å²	138.3	64%	0.638	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-99.1	129.7	178.5	46.4	0	0	0	0	112.5
672	K	59.9	Low	52.5	Low	209 Å²	209	139.6 Å²	139.6	91%	0.909	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-67.5	154.4	164.9	-81.8	-174.3	173.4	-177.9	0	110.4
673	E	58.6	Low	53.3	Low	145 Å²	145	138 Å²	138	68%	0.678	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.6	142.9	175.3	-68.3	178.4	172.3	0	0	111.2	R669 Q675	R669-E673 IonicContact CZ-OE1 2.81Å; R669-E673 IonicContact NH1-OE1 3.62Å; R669-E673 VanDerWaalsContact NH2-CD 3.33Å; R669-E673 IonicContact NH2-OE1 3.2Å; R669-E673 PolarHBondContact NH2-OE1 3Å; E673-Q675 PolarHBondContact O-N 2.95Å
674	Y	56	Low	54.1	Low	185 Å²	185	132.4 Å²	132.4	73%	0.725	70%	0.698	S	S	*	*			trans	-66.3	114.8	176	175.9	-101.8	0	0	0	109.1	E676 P677	Y674-E676 HydrophobicContact CD1-CG 4.46Å; Y674-E676 HydrophobicContact CE1-CG 3.91Å; Y674-P677 WeakPolarHBondContact OH-CD 3.49Å
675	Q	50.4	Low	55.1	Low	176 Å²	176	128.1 Å²	128.1	82%	0.822	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-92.5	128.2	164.7	-72	-176.5	-22.1	0	0	107.9	E673	E673-Q675 PolarHBondContact O-N 2.95Å
676	E	45.6	Very low	55.9	Low	162 Å²	162	123.3 Å²	123.3	76%	0.757	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-58.2	135.6	177.1	-66.3	179.3	166.8	0	0	110.2	Y674 V678	Y674-E676 HydrophobicContact CD1-CG 4.46Å; Y674-E676 HydrophobicContact CE1-CG 3.91Å; E676-V678 PolarHBondContact O-N 3.46Å
677	P	57.8	Low	56.8	Low	89 Å²	89	120.1 Å²	120.1	58%	0.578	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-64.5	125.5	175	26.9	-32.9	0	0	0	109	Y674 I679	Y674-P677 WeakPolarHBondContact OH-CD 3.49Å; P677-I679 PolarHBondContact O-N 2.83Å
678	V	57.2	Low	57.4	Low	144 Å²	144	121.1 Å²	121.1	87%	0.873	65%	0.647	S	S	*	*			trans	-61.6	103	177.6	-178.1	0	0	0	0	108.6	E676 A680	E676-V678 PolarHBondContact O-N 3.46Å; V678-A680 PolarHBondContact O-N 3.27Å
679	I	58	Low	57.8	Low	105 Å²	105	120.9 Å²	120.9	54%	0.538	64%	0.637	S	S	.	*			trans	-58.9	125.5	177.5	-59.1	174.1	0	0	0	107.5	P677 V683 A684	P677-I679 PolarHBondContact O-N 2.83Å; I679-V683 HydrophobicContact CG2-CB 3.92Å; I679-V683 HydrophobicContact CG2-CG1 3.97Å; I679-A684 HydrophobicContact CG2-CB 4.03Å
680	A	62.5	Low	58.1	Low	53 Å²	53	116.6 Å²	116.6	44%	0.438	64%	0.639	S	S	.	*			trans	-56	133.6	179.8	0	0	0	0	0	109.6	V678 K682 V683 A684	V678-A680 PolarHBondContact O-N 3.27Å; A680-K682 PolarHBondContact O-N 2.86Å; A680-V683 HydrophobicContact CB-CG2 4.26Å; A680-V683 WeakPolarHBondContact O-CA 3.2Å; A680-V683 WeakPolarHBondContact O-CB 3.23Å; A680-V683 PolarHBondContact O-N 3.34Å; A680-A684 PolarHBondContact O-N 2.8Å; A680-A684 VanDerWaalsContact O-N 3.12Å
681	P	61.6	Low	58.2	Low	109 Å²	109	116.1 Å²	116.1	71%	0.708	63%	0.631	S	S	*	*	H	α-helix	trans	-55	-29.5	-171.9	-30.5	35.4	0	0	0	114.8	A685	P681-A685 VanDerWaalsContact O-CB 3.23Å; P681-A685 WeakPolarHBondContact O-CB 3.34Å; P681-A685 PolarHBondContact O-N 2.83Å
682	K	55	Low	57.8	Low	187 Å²	187	118.7 Å²	118.7	81%	0.813	63%	0.629	S	S	*	*	H	α-helix	trans	-66.9	-34.6	172.8	-77.4	-173.7	172.2	-176.8	0	114.1	A680 A686	A680-K682 PolarHBondContact O-N 2.86Å; K682-A686 VanDerWaalsContact O-CB 3.25Å; K682-A686 WeakPolarHBondContact O-CB 3.36Å; K682-A686 PolarHBondContact O-N 3.47Å
683	V	57.5	Low	57.4	Low	80 Å²	80	114.8 Å²	114.8	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-77.8	-40.1	178.8	179.2	0	0	0	0	110.1	I679 A680 A686 L687	I679-V683 HydrophobicContact CG2-CB 3.92Å; I679-V683 HydrophobicContact CG2-CG1 3.97Å; A680-V683 HydrophobicContact CB-CG2 4.26Å; A680-V683 WeakPolarHBondContact O-CA 3.2Å; A680-V683 WeakPolarHBondContact O-CB 3.23Å; A680-V683 PolarHBondContact O-N 3.34Å; V683-A686 PolarHBondContact O-N 3.39Å; V683-L687 HydrophobicContact CG1-CD1 4.19Å; V683-L687 WeakPolarHBondContact O-CB 3.23Å; V683-L687 PolarHBondContact O-N 3.14Å
684	A	63.5	Low	56.8	Low	42 Å²	42	117.1 Å²	117.1	35%	0.347	63%	0.628	S	S	.	*	H	α-helix	trans	-59.8	-50.1	171.2	0	0	0	0	0	111	I679 A680 A686 L687 E688	I679-A684 HydrophobicContact CG2-CB 4.03Å; A680-A684 PolarHBondContact O-N 2.8Å; A680-A684 VanDerWaalsContact O-N 3.12Å; A684-A686 PolarHBondContact O-N 3.23Å; A684-L687 PolarHBondContact O-N 3.38Å; A684-E688 WeakPolarHBondContact O-CB 3.45Å; A684-E688 PolarHBondContact O-N 3.36Å
685	A	64.9	Low	56	Low	52 Å²	52	115.9 Å²	115.9	43%	0.43	63%	0.634	S	S	.	*	H	α-helix	trans	-60.9	-39.8	176.3	0	0	0	0	0	112.9	P681 E688 D689	P681-A685 VanDerWaalsContact O-CB 3.23Å; P681-A685 WeakPolarHBondContact O-CB 3.34Å; P681-A685 PolarHBondContact O-N 2.83Å; A685-E688 PolarHBondContact O-N 3.11Å; A685-D689 VanDerWaalsContact O-CB 3.3Å; A685-D689 WeakPolarHBondContact O-CB 3.39Å; A685-D689 PolarHBondContact O-N 2.84Å
686	A	62.2	Low	55.6	Low	60 Å²	60	115.1 Å²	115.1	50%	0.496	63%	0.631	S	S	.	*	H	α-helix	trans	-68.3	-33.6	177.2	0	0	0	0	0	113.2	K682 V683 A684 A690	K682-A686 VanDerWaalsContact O-CB 3.25Å; K682-A686 WeakPolarHBondContact O-CB 3.36Å; K682-A686 PolarHBondContact O-N 3.47Å; V683-A686 PolarHBondContact O-N 3.39Å; A684-A686 PolarHBondContact O-N 3.23Å; A686-A690 WeakPolarHBondContact O-CB 3.33Å; A686-A690 PolarHBondContact O-N 2.71Å; A686-A690 VanDerWaalsContact O-N 3.13Å
687	L	58.6	Low	55.2	Low	101 Å²	101	114.7 Å²	114.7	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-69.1	-42.3	171.3	-102.9	138.5	0	0	0	111.5	V683 A684 A690 L691	V683-L687 HydrophobicContact CG1-CD1 4.19Å; V683-L687 WeakPolarHBondContact O-CB 3.23Å; V683-L687 PolarHBondContact O-N 3.14Å; A684-L687 PolarHBondContact O-N 3.38Å; L687-A690 CarbonylContact O-C 3.59Å; L687-A690 PolarHBondContact O-N 2.92Å; L687-L691 HydrophobicContact CD2-CD1 4.42Å; L687-L691 VanDerWaalsContact O-CB 3.27Å; L687-L691 WeakPolarHBondContact O-CB 3.28Å; L687-L691 WeakPolarHBondContact O-CD1 3.37Å; L687-L691 WeakPolarHBondContact O-CG 3.31Å; L687-L691 PolarHBondContact O-N 3.48Å
688	E	63.1	Low	54.1	Low	123 Å²	123	118 Å²	118	58%	0.575	64%	0.64	S	S	*	*	H	α-helix	trans	-69.5	-38.3	-179.2	-164.5	172	-138.5	0	0	112.1	A684 A685 L691 R692	A684-E688 WeakPolarHBondContact O-CB 3.45Å; A684-E688 PolarHBondContact O-N 3.36Å; A685-E688 PolarHBondContact O-N 3.11Å; E688-L691 CarbonylContact O-C 3.58Å; E688-L691 PolarHBondContact O-N 3.46Å; E688-R692 PolarHBondContact O-N 2.79Å; E688-R692 VanDerWaalsContact O-N 3.13Å
689	D	62.2	Low	53.2	Low	103 Å²	103	117 Å²	117	55%	0.551	63%	0.634	S	S	*	*	H	α-helix	trans	-71.9	-32.6	174.7	-142.2	40.3	0	0	0	111.7	A685 L691 R692	A685-D689 VanDerWaalsContact O-CB 3.3Å; A685-D689 WeakPolarHBondContact O-CB 3.39Å; A685-D689 PolarHBondContact O-N 2.84Å; D689-L691 VanDerWaalsContact C-N 3.27Å; D689-L691 PolarHBondContact O-N 3.1Å; D689-R692 IonicContact OD1-CZ 2.74Å; D689-R692 IonicContact OD1-NH1 3.82Å; D689-R692 PolarHBondContact OD1-NH1 2.95Å
690	A	54.6	Low	52.1	Low	84 Å²	84	118.1 Å²	118.1	69%	0.694	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.2	171.2	0	0	0	0	0	114.2	A686 L687	A686-A690 WeakPolarHBondContact O-CB 3.33Å; A686-A690 PolarHBondContact O-N 2.71Å; A686-A690 VanDerWaalsContact O-N 3.13Å; L687-A690 CarbonylContact O-C 3.59Å; L687-A690 PolarHBondContact O-N 2.92Å
691	L	55.4	Low	51	Low	126 Å²	126	119.5 Å²	119.5	66%	0.66	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-4.5	174.9	-78.2	168	0	0	0	112.9	L687 E688 D689 D693	L687-L691 HydrophobicContact CD2-CD1 4.42Å; L687-L691 VanDerWaalsContact O-CB 3.27Å; L687-L691 WeakPolarHBondContact O-CB 3.28Å; L687-L691 WeakPolarHBondContact O-CD1 3.37Å; L687-L691 WeakPolarHBondContact O-CG 3.31Å; L687-L691 PolarHBondContact O-N 3.48Å; E688-L691 CarbonylContact O-C 3.58Å; E688-L691 PolarHBondContact O-N 3.46Å; D689-L691 VanDerWaalsContact C-N 3.27Å; D689-L691 PolarHBondContact O-N 3.1Å; L691-D693 PolarHBondContact O-N 2.98Å
692	R	50	Low	49.9	Very low	158 Å²	158	118 Å²	118	60%	0.596	64%	0.644	S	S	*	*	S	Bend	trans	-73	121.7	164.6	-73.8	171.3	-176.7	158.3	0.3	108	E688 D689 E694	E688-R692 PolarHBondContact O-N 2.79Å; E688-R692 VanDerWaalsContact O-N 3.13Å; D689-R692 IonicContact OD1-CZ 2.74Å; D689-R692 IonicContact OD1-NH1 3.82Å; D689-R692 PolarHBondContact OD1-NH1 2.95Å; R692-E694 PolarHBondContact O-N 3.23Å
693	D	51	Low	48.9	Very low	126 Å²	126	112.4 Å²	112.4	67%	0.674	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.1	167.3	-61	-56.9	0	0	0	107.5	R574 L691 D695	R574-D693 IonicContact NH2-OD1 3.66Å; R574-D693 PolarHBondContact NH2-OD1 3.5Å; L691-D693 PolarHBondContact O-N 2.98Å; D693-D695 PolarHBondContact O-N 2.77Å
694	E	46.1	Very low	47.7	Very low	194 Å²	194	118.4 Å²	118.4	91%	0.907	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-62.8	133.1	174.2	-72	-168.4	163.2	0	0	108.9	R692 E696	R692-E694 PolarHBondContact O-N 3.23Å; E694-E696 PolarHBondContact O-N 3.3Å
695	D	39.8	Very low	46.1	Very low	159 Å²	159	125 Å²	125	85%	0.85	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-49.8	134.2	-171.3	-72.6	-57.7	0	0	0	112.8	D693 I697	D693-D695 PolarHBondContact O-N 2.77Å; D695-I697 PolarHBondContact O-N 3.4Å
696	E	40.8	Very low	44.5	Very low	161 Å²	161	127.8 Å²	127.8	75%	0.752	70%	0.699	S	S	*	*			trans	-50.2	114.2	177.5	-65.1	-178.3	156.9	0	0	111.4	E694 Q698	E694-E696 PolarHBondContact O-N 3.3Å; E696-Q698 HydrophobicContact CB-CG 4.4Å; E696-Q698 PolarHBondContact O-N 2.83Å; E696-Q698 PolarHBondContact OE2-NE2 3.38Å
697	I	38.7	Very low	43	Very low	153 Å²	153	130.2 Å²	130.2	79%	0.785	71%	0.713	S	S	*	*			trans	-71.7	90.4	159.1	-56.6	179.3	0	0	0	106.8	D695 V699	D695-I697 PolarHBondContact O-N 3.4Å; I697-V699 VanDerWaalsContact C-N 3.28Å; I697-V699 HydrophobicContact CG2-CG2 3.92Å; I697-V699 PolarHBondContact O-N 3Å
698	Q	34	Very low	41.7	Very low	158 Å²	158	133.4 Å²	133.4	74%	0.738	73%	0.729	S	S	*	*			trans	-62.6	93.1	165.9	-71.5	-173.1	-2.7	0	0	108.9	E696 D700	E696-Q698 HydrophobicContact CB-CG 4.4Å; E696-Q698 PolarHBondContact O-N 2.83Å; E696-Q698 PolarHBondContact OE2-NE2 3.38Å; Q698-D700 PolarHBondContact O-N 2.62Å
699	V	38.8	Very low	40	Very low	122 Å²	122	131.2 Å²	131.2	74%	0.739	74%	0.74	S	S	*	*			trans	-73.9	84.5	170.4	-175.4	0	0	0	0	107.8	I697 A701	I697-V699 VanDerWaalsContact C-N 3.28Å; I697-V699 HydrophobicContact CG2-CG2 3.92Å; I697-V699 PolarHBondContact O-N 3Å; V699-A701 PolarHBondContact O-N 2.71Å
700	D	33.7	Very low	38.5	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	75%	0.753	S	S	*	*			trans	-61.9	99.9	173.8	-171.3	-18.7	0	0	0	109.7	Q698 S702	Q698-D700 PolarHBondContact O-N 2.62Å; D700-S702 VanDerWaalsContact CG-OG 3.31Å; D700-S702 PolarHBondContact O-N 3Å; D700-S702 WeakPolarHBondContact OD1-CB 3.46Å; D700-S702 PolarHBondContact OD1-N 3.35Å; D700-S702 PolarHBondContact OD1-OG 3Å
701	A	39.5	Very low	37.3	Very low	83 Å²	83	134.8 Å²	134.8	69%	0.686	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-82.7	16	-174.7	0	0	0	0	0	113.5	V699 G703	V699-A701 PolarHBondContact O-N 2.71Å; A701-G703 PolarHBondContact O-N 3.4Å
702	S	38.6	Very low	36	Very low	76 Å²	76	134.3 Å²	134.3	53%	0.531	76%	0.764	S	S	.	*	G	3₁₀ helix	trans	-63.9	-6.1	174.2	55.3	0	0	0	0	114.6	D700 F704	D700-S702 VanDerWaalsContact CG-OG 3.31Å; D700-S702 PolarHBondContact O-N 3Å; D700-S702 WeakPolarHBondContact OD1-CB 3.46Å; D700-S702 PolarHBondContact OD1-N 3.35Å; D700-S702 PolarHBondContact OD1-OG 3Å; S702-F704 VanDerWaalsContact C-N 3.29Å; S702-F704 PolarHBondContact O-N 3.37Å
703	G	33.8	Very low	35.1	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-69.9	-4.8	-179	0	0	0	0	0	117.6	A701	A701-G703 PolarHBondContact O-N 3.4Å
704	F	32.8	Very low	34	Very low	206 Å²	206	131.5 Å²	131.5	90%	0.904	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-99.8	35.9	-178.8	-90.6	-79.4	0	0	0	115	S702 S706	S702-F704 VanDerWaalsContact C-N 3.29Å; S702-F704 PolarHBondContact O-N 3.37Å; F704-S706 PolarHBondContact O-N 3.43Å
705	H	30.6	Very low	33.1	Very low	181 Å²	181	128 Å²	128	84%	0.838	78%	0.778	S	S	*	*			trans	-84.6	106	164.4	-87.1	-70.8	0	0	0	111.8
706	S	30.5	Very low	32.5	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	78%	0.78	S	S	*	*			trans	-59.6	138.6	176.4	-172.9	0	0	0	0	112.5	F704 L708	F704-S706 PolarHBondContact O-N 3.43Å; S706-L708 PolarHBondContact O-N 3.06Å; S706-L708 VanDerWaalsContact O-N 3.1Å
707	S	31.4	Very low	31.8	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	78%	0.781	S	S	*	*	S	Bend	trans	-74.7	92.7	-174.7	55.8	0	0	0	0	113.3
708	L	29.9	Very low	31.3	Very low	167 Å²	167	121.4 Å²	121.4	87%	0.874	78%	0.782	S	S	*	*			trans	-142.8	101	160.8	-76.5	178.2	0	0	0	109.9	S706	S706-L708 PolarHBondContact O-N 3.06Å; S706-L708 VanDerWaalsContact O-N 3.1Å
709	G	27.8	Very low	31	Very low	77 Å²	77	118.3 Å²	118.3	79%	0.794	78%	0.778	S	S	*	*			trans	-105.1	155.5	174.5	0	0	0	0	0	112.6
710	P	30.7	Very low	30.4	Very low	128 Å²	128	120 Å²	120	83%	0.831	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-101.8	148.8	149.4	24.2	-9.8	0	0	0	111.2
711	T	28.4	Very low	30.2	Very low	135 Å²	135	123.2 Å²	123.2	83%	0.828	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64.9	141.8	-175.1	47.8	0	0	0	0	114.6
712	P	29.8	Very low	29.5	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.1	151.4	168.7	36	-33.5	0	0	0	112.5
713	P	31	Very low	29.2	Very low	127 Å²	127	130.5 Å²	130.5	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.8	162.4	165.9	34.7	-33	0	0	0	112.1
714	A	27.2	Very low	29	Very low	97 Å²	97	136.1 Å²	136.1	80%	0.802	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-84.9	152.6	-171.9	0	0	0	0	0	114.7
715	S	26.3	Very low	28.8	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	81%	0.809	S	S	*	*				165.1	172.3	121.1	54.5	0	0	0	0	113.5
716	A	28.8	Very low	28.7	Very low	106 Å²	106	127.3 Å²	127.3	88%	0.876	81%	0.812	S	S	*	*			trans	83.6	139.5	169.8	0	0	0	0	0	118.7
717	S	25.5	Very low	28.4	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	81%	0.814	S	S	*	*			trans	-128	143.4	-159	53.9	0	0	0	0	113.2
718	S	28.6	Very low	28.9	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	81%	0.809	S	S	*	*			trans	168.2	146.6	147.5	35.5	0	0	0	0	107.6
719	S	27	Very low	28.9	Very low	94 Å²	94	134 Å²	134	66%	0.657	80%	0.804	S	S	*	*			cis	160.9	134.1	-18.4	50.9	0	0	0	0	104.8
720	L	27	Very low	29	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	80%	0.8	S	S	*	*			trans	71.1	136.9	162.1	-60.6	161.7	0	0	0	116.1
721	K	28.8	Very low	28.9	Very low	195 Å²	195	133.7 Å²	133.7	85%	0.848	79%	0.789	S	S	*	*			cis	-144.1	161	13.8	-96.2	144.6	-177.2	-178.9	0	111.9
722	K	25.4	Very low	28.9	Very low	192 Å²	192	136.2 Å²	136.2	84%	0.835	79%	0.788	S	S	*	*			trans	-112.1	160	161.5	-77	-175.9	175.4	176.5	0	109.8
723	P	31.8	Very low	28.9	Very low	120 Å²	120	139.1 Å²	139.1	78%	0.779	79%	0.789	S	S	*	*				-125.1	145.1	93.9	1.8	20.6	0	0	0	112.4
724	K	29.8	Very low	28.7	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	78%	0.78	S	S	*	*				61.9	136.5	78.5	-65.4	-174.6	179.2	-179.1	0	113.5
725	S	29.1	Very low	28.7	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	78%	0.776	S	S	*	*			cis	-175.1	148	-5.2	43.6	0	0	0	0	110.9
726	G	27.1	Very low	28.6	Very low	86 Å²	86	137.9 Å²	137.9	89%	0.887	77%	0.772	S	S	*	*			trans	-179.8	79.3	174.2	0	0	0	0	0	115.4
727	R	25.4	Very low	28.5	Very low	220 Å²	220	141 Å²	141	83%	0.83	77%	0.773	S	S	*	*			trans	-102.7	170.9	165.1	-121.9	-157.8	171.8	160.8	-0.6	107.6
728	P	40.5	Very low	28.6	Very low	103 Å²	103	140.7 Å²	140.7	67%	0.669	77%	0.767	S	S	*	*			cis	-141.6	158.9	30.2	44.5	-25.3	0	0	0	116.8
729	R	30.3	Very low	28.6	Very low	205 Å²	205	140.3 Å²	140.3	77%	0.774	76%	0.764	S	S	*	*				68.9	155.4	115.8	-74.4	-179.5	163.3	178.1	-5.7	116.8
730	T	29.7	Very low	29.2	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	77%	0.767	S	S	*	*			cis	-167.7	163.6	-4.5	20.2	0	0	0	0	108.2
731	S	28.6	Very low	29.2	Very low	84 Å²	84	142.7 Å²	142.7	59%	0.587	77%	0.768	S	S	*	*			cis	173.3	151.4	-30.7	62.7	0	0	0	0	110.1
732	K	29.5	Very low	29	Very low	188 Å²	188	138.5 Å²	138.5	82%	0.817	76%	0.763	S	S	*	*			trans	72.6	150.9	165	-61	172.2	175.1	174.7	0	115.1
733	K	29.1	Very low	29.5	Very low	176 Å²	176	135.1 Å²	135.1	77%	0.765	76%	0.76	S	S	*	*			cis	-165.9	160.2	7.1	-131.3	179.5	178.9	-164.4	0	110.9
734	S	26.9	Very low	29.2	Very low	93 Å²	93	135.2 Å²	135.2	65%	0.65	76%	0.763	S	S	*	*			trans	17.2	149.2	142.2	60.8	0	0	0	0	121.7
735	S	26.7	Very low	29.3	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	76%	0.76	S	S	*	*			cis	-179.8	147	-3.4	45.1	0	0	0	0	110.6
736	T	25.8	Very low	29.6	Very low	125 Å²	125	131.7 Å²	131.7	77%	0.767	76%	0.759	S	S	*	*			trans	39.6	122.7	147.4	-32.7	0	0	0	0	121.5
737	L	26.2	Very low	29.7	Very low	172 Å²	172	132.4 Å²	132.4	90%	0.901	76%	0.757	S	S	*	*			trans	-155.5	161.7	136.9	-106.8	169.4	0	0	0	110.5
738	T	27.2	Very low	30.2	Very low	104 Å²	104	127.1 Å²	127.1	64%	0.638	75%	0.753	S	S	*	*			trans	-115.6	136.8	-152.9	44.9	0	0	0	0	115.8
739	S	27.8	Very low	29.9	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	76%	0.756	S	S	*	*			trans	55.6	157.7	147.7	64.6	0	0	0	0	119.7
740	P	40.4	Very low	30.2	Very low	110 Å²	110	126.2 Å²	126.2	71%	0.714	76%	0.763	S	S	*	*			cis	-142.3	163.3	23.3	34.8	-11.6	0	0	0	119.7
741	F	26	Very low	30.5	Very low	192 Å²	192	130.6 Å²	130.6	84%	0.842	77%	0.768	S	S	*	*			trans	46.8	110.1	146.9	-80.6	-97.4	0	0	0	124.4
742	S	26	Very low	31	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	78%	0.78	S	S	*	*			trans	70.3	159	131.5	-63.2	0	0	0	0	122
743	P	36.3	Very low	31	Very low	121 Å²	121	133 Å²	133	79%	0.786	78%	0.784	S	S	*	*			cis	-132.1	160.4	-7.3	36.4	-18.2	0	0	0	117.5
744	C	25.6	Very low	31.3	Very low	123 Å²	123	130.3 Å²	130.3	83%	0.831	79%	0.787	S	S	*	*			trans	39.4	143.6	146	-113.7	0	0	0	0	126.2
745	S	31.6	Very low	31.8	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	80%	0.801	S	S	*	*			trans	88.7	152.4	156.9	-49.4	0	0	0	0	118.8
746	P	34	Very low	32.1	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	80%	0.803	S	S	*	*				-124.3	174.2	-55.7	37.4	-24.4	0	0	0	112.3
747	A	30.6	Very low	32.5	Very low	101 Å²	101	138.7 Å²	138.7	84%	0.835	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.1	140.5	-174.1	0	0	0	0	0	114.6
748	S	35.2	Very low	33	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.5	144.5	174.6	-47.1	0	0	0	0	112.5
749	P	34.9	Very low	33.7	Very low	113 Å²	113	137.4 Å²	137.4	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.7	136.8	178.6	30.8	-34.3	0	0	0	113	Y751	P749-Y751 PolarHBondContact O-N 3.08Å
750	L	36.7	Very low	34.1	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	83%	0.834	S	S	*	*			trans	-86.9	96.8	170.9	-84.4	155.4	0	0	0	110.5
751	Y	34.8	Very low	33.8	Very low	209 Å²	209	147.5 Å²	147.5	82%	0.82	84%	0.84	S	S	*	*			trans	-137	132.9	162.5	-80.7	-79.7	0	0	0	109.9	P749	P749-Y751 PolarHBondContact O-N 3.08Å
752	P	39.4	Very low	34.2	Very low	127 Å²	127	145.2 Å²	145.2	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-75.8	129.9	172.8	30.2	-32.1	0	0	0	110.8	S754	P752-S754 PolarHBondContact O-N 3.22Å
753	Q	30.8	Very low	34.6	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-73.4	123.3	174.6	-71.4	-177.8	-25.6	0	0	111.1
754	S	34.3	Very low	34.5	Very low	119 Å²	119	148.9 Å²	148.9	83%	0.832	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-73.6	124.3	170	48.2	0	0	0	0	110.9	P752 G756	P752-S754 PolarHBondContact O-N 3.22Å; S754-G756 PolarHBondContact O-N 3.35Å
755	R	36.7	Very low	35.1	Very low	247 Å²	247	150.5 Å²	150.5	93%	0.932	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-71.9	120.8	171.3	-80.8	-178.4	166.2	-178.4	-4.4	109.7
756	G	33.5	Very low	35.3	Very low	73 Å²	73	153.3 Å²	153.3	75%	0.753	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-70.7	147.2	175.6	0	0	0	0	0	113.2	S754	S754-G756 PolarHBondContact O-N 3.35Å
757	L	34.7	Very low	35.4	Very low	177 Å²	177	155.5 Å²	155.5	93%	0.927	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-87.4	129.7	165.6	-76.4	163.1	0	0	0	109.4
758	V	36.3	Very low	35.8	Very low	132 Å²	132	159.7 Å²	159.7	80%	0.8	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-84.3	138.1	171.6	-179.2	0	0	0	0	108.6
759	P	42.5	Very low	35.9	Very low	117 Å²	117	163.9 Å²	163.9	76%	0.76	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-83.2	133.9	-179.8	30.3	-31.7	0	0	0	113
760	K	35.7	Very low	35.9	Very low	283 Å²	283	168.5 Å²	168.5	100%	1.23	88%	0.882	S	S	*	*			trans	78.9	0	-175.9	-65.9	-170.5	174.9	-177.9	0	116.1

Retrieved 760 of 760 residues in 130.7 ms (Link to these results)

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