A0A3Q0KTL8_SCHMA Loading...

Protein kinase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 472 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	43.9	Very low	209 Å²	209	97.3 Å²	97.3	100%	1.03	50%	0.503	S	S	*	.				0	-46.9	0	-103.6	-166.8	-75	0	0	111.3	T3 L4	M1-T3 PolarHBondContact O-N 3.22Å; M1-L4 PolarHBondContact O-N 3.04Å
2	E	41.5	Very low	44.5	Very low	167 Å²	167	103.8 Å²	103.8	78%	0.78	52%	0.516	S	S	*	.	H	α-helix	trans	-45.8	-31.8	170.2	-60.1	168.2	169.9	0	0	113.5	L4 S6	E2-L4 PolarHBondContact O-N 3.18Å; E2-S6 PolarHBondContact O-OG 2.98Å
3	T	51.1	Low	45	Very low	83 Å²	83	101.8 Å²	101.8	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-0.7	174.4	23.4	0	0	0	0	117	M1 V63 L64	M1-T3 PolarHBondContact O-N 3.22Å; T3-V63 VanDerWaalsContact O-CG2 3.23Å; T3-V63 WeakPolarHBondContact O-CG2 3.17Å; T3-L64 WeakPolarHBondContact O-CB 3.31Å; T3-L64 WeakPolarHBondContact O-CD1 3.08Å
4	L	39.4	Very low	45.3	Very low	96 Å²	96	97.9 Å²	97.9	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-110.2	-38.7	171	-175.2	67.6	0	0	0	112.9	M1 E2 M7 L8 I62	M1-L4 PolarHBondContact O-N 3.04Å; E2-L4 PolarHBondContact O-N 3.18Å; L4-M7 VanDerWaalsContact O-CB 3.31Å; L4-M7 WeakPolarHBondContact O-CB 3.31Å; L4-M7 PolarHBondContact O-N 2.91Å; L4-M7 VanDerWaalsContact O-N 3.16Å; L4-L8 PolarHBondContact O-N 2.87Å; L4-I62 HydrophobicContact CD1-CG2 3.81Å
5	E	45.6	Very low	45.5	Very low	151 Å²	151	97.6 Å²	97.6	71%	0.706	49%	0.487	S	S	*	.	H	α-helix	trans	-68.9	-45.1	-169.4	-169.8	171.3	-161	0	0	112.4	M7 L8 K9	E5-M7 PolarHBondContact O-N 3.06Å; E5-M7 VanDerWaalsContact O-N 3.16Å; E5-L8 PolarHBondContact O-N 2.85Å; E5-K9 PolarHBondContact O-N 3Å
6	S	42.7	Very low	46.4	Very low	33 Å²	33	94.9 Å²	94.9	23%	0.231	48%	0.481	C	S	.	.	H	α-helix	trans	-68.8	-7.9	175	-6.1	0	0	0	0	114	E2 A10 L64	E2-S6 PolarHBondContact O-OG 2.98Å; S6-A10 VanDerWaalsContact O-CB 3.32Å; S6-A10 WeakPolarHBondContact O-CB 3.29Å; S6-A10 PolarHBondContact O-N 3.33Å; S6-L64 VanDerWaalsContact C-CD1 3.44Å
7	M	38.7	Very low	46.9	Very low	32 Å²	32	94.8 Å²	94.8	16%	0.158	48%	0.476	C	S	.	.	H	α-helix	trans	-76.3	-48.4	169.2	-103.5	-54.7	-81.2	0	0	110	L4 E5 K9 A10 V11 I62 L64	L4-M7 VanDerWaalsContact O-CB 3.31Å; L4-M7 WeakPolarHBondContact O-CB 3.31Å; L4-M7 PolarHBondContact O-N 2.91Å; L4-M7 VanDerWaalsContact O-N 3.16Å; E5-M7 PolarHBondContact O-N 3.06Å; E5-M7 VanDerWaalsContact O-N 3.16Å; M7-K9 PolarHBondContact O-N 2.94Å; M7-A10 PolarHBondContact O-N 3.4Å; M7-V11 HydrophobicContact CE-CG2 3.91Å; M7-V11 WeakPolarHBondContact O-CB 3.17Å; M7-V11 WeakPolarHBondContact O-CG2 3.35Å; M7-V11 PolarHBondContact O-N 2.87Å; M7-I62 HydrophobicContact CB-CG2 3.55Å; M7-I62 HydrophobicContact CE-CB 4.3Å; M7-I62 HydrophobicContact CE-CG2 3.97Å; M7-I62 HydrophobicContact CG-CG2 3.65Å; M7-L64 HydrophobicContact CB-CD1 4.16Å; M7-L64 HydrophobicContact CG-CB 3.78Å; M7-L64 HydrophobicContact CG-CD1 4.13Å; M7-L64 HydrophobicContact CG-CG 4.15Å; M7-L64 VanDerWaalsContact SD-CA 3.53Å; M7-L64 HydrophobicContact SD-CB 4.42Å
8	L	42.5	Very low	46.8	Very low	83 Å²	83	90.3 Å²	90.3	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-31	176.4	-58.8	172.4	0	0	0	109	L4 E5 R12	L4-L8 PolarHBondContact O-N 2.87Å; E5-L8 PolarHBondContact O-N 2.85Å; L8-R12 VanDerWaalsContact O-CB 3.28Å; L8-R12 WeakPolarHBondContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CD 3.43Å; L8-R12 WeakPolarHBondContact O-CG 3.32Å; L8-R12 PolarHBondContact O-N 2.84Å; L8-R12 VanDerWaalsContact O-N 3.1Å
9	K	52.7	Low	47.1	Very low	116 Å²	116	92.3 Å²	92.3	50%	0.504	46%	0.461	S	S	.	.	H	α-helix	trans	-65.8	-55	164.4	-158.5	-167.9	-179.9	-56.5	0	113.2	E5 M7 V11 R12 D13	E5-K9 PolarHBondContact O-N 3Å; M7-K9 PolarHBondContact O-N 2.94Å; K9-V11 VanDerWaalsContact C-N 3.31Å; K9-V11 PolarHBondContact O-N 2.81Å; K9-R12 CarbonylContact O-C 3.59Å; K9-R12 WeakPolarHBondContact O-CA 3.45Å; K9-R12 WeakPolarHBondContact O-CB 3.44Å; K9-R12 PolarHBondContact O-N 3.46Å; K9-D13 IonicContact NZ-OD1 2.76Å; K9-D13 PolarHBondContact NZ-OD1 3.39Å; K9-D13 IonicContact NZ-OD2 3.36Å; K9-D13 PolarHBondContact NZ-OD2 2.67Å; K9-D13 WeakPolarHBondContact O-CB 3.3Å; K9-D13 PolarHBondContact O-N 2.9Å
10	A	42.5	Very low	47.8	Very low	33 Å²	33	95.6 Å²	95.6	27%	0.273	48%	0.475	S	S	.	.	H	α-helix	trans	-59.8	-37.8	-178	0	0	0	0	0	113.3	S6 M7 D13 F14	S6-A10 VanDerWaalsContact O-CB 3.32Å; S6-A10 WeakPolarHBondContact O-CB 3.29Å; S6-A10 PolarHBondContact O-N 3.33Å; M7-A10 PolarHBondContact O-N 3.4Å; A10-D13 PolarHBondContact O-N 2.78Å; A10-F14 VanDerWaalsContact O-CB 3.28Å; A10-F14 WeakPolarHBondContact O-CB 3.32Å; A10-F14 PolarHBondContact O-N 2.79Å
11	V	44.3	Very low	47.5	Very low	67 Å²	67	93.2 Å²	93.2	41%	0.406	47%	0.465	S	S	.	.	H	α-helix	trans	-67.7	-42.1	173.3	173.4	0	0	0	0	110.8	M7 K9 F14 L15	M7-V11 HydrophobicContact CE-CG2 3.91Å; M7-V11 WeakPolarHBondContact O-CB 3.17Å; M7-V11 WeakPolarHBondContact O-CG2 3.35Å; M7-V11 PolarHBondContact O-N 2.87Å; K9-V11 VanDerWaalsContact C-N 3.31Å; K9-V11 PolarHBondContact O-N 2.81Å; V11-F14 PolarHBondContact O-N 3.37Å; V11-L15 HydrophobicContact CG1-CD1 4Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 3.48Å
12	R	51.3	Low	47.5	Very low	175 Å²	175	86.3 Å²	86.3	66%	0.66	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-40.1	172.4	-80	174.9	-176.1	163.6	2.8	112.9	L8 K9 F14 L15 S16	L8-R12 VanDerWaalsContact O-CB 3.28Å; L8-R12 WeakPolarHBondContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CD 3.43Å; L8-R12 WeakPolarHBondContact O-CG 3.32Å; L8-R12 PolarHBondContact O-N 2.84Å; L8-R12 VanDerWaalsContact O-N 3.1Å; K9-R12 CarbonylContact O-C 3.59Å; K9-R12 WeakPolarHBondContact O-CA 3.45Å; K9-R12 WeakPolarHBondContact O-CB 3.44Å; K9-R12 PolarHBondContact O-N 3.46Å; R12-F14 VanDerWaalsContact C-N 3.34Å; R12-L15 PolarHBondContact O-N 3.38Å; R12-S16 VanDerWaalsContact O-CB 3.24Å; R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 2.87Å; R12-S16 PolarHBondContact O-OG 2.77Å
13	D	51.8	Low	47.3	Very low	78 Å²	78	84.6 Å²	84.6	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-66.1	-40.1	177.9	-66.3	-17.3	0	0	0	109.7	K9 A10 S16 F17	K9-D13 IonicContact NZ-OD1 2.76Å; K9-D13 PolarHBondContact NZ-OD1 3.39Å; K9-D13 IonicContact NZ-OD2 3.36Å; K9-D13 PolarHBondContact NZ-OD2 2.67Å; K9-D13 WeakPolarHBondContact O-CB 3.3Å; K9-D13 PolarHBondContact O-N 2.9Å; A10-D13 PolarHBondContact O-N 2.78Å; D13-S16 PolarHBondContact O-N 3.2Å; D13-F17 WeakPolarHBondContact O-CB 3.47Å; D13-F17 PolarHBondContact O-N 2.73Å
14	F	48.4	Very low	46.7	Very low	48 Å²	48	83.8 Å²	83.8	21%	0.211	42%	0.418	C	S	.	.	H	α-helix	trans	-66.9	-46.8	174	-179	-124.1	0	0	0	112.2	A10 V11 R12 S16 F17 L18 F136 A173 L174	A10-F14 VanDerWaalsContact O-CB 3.28Å; A10-F14 WeakPolarHBondContact O-CB 3.32Å; A10-F14 PolarHBondContact O-N 2.79Å; V11-F14 PolarHBondContact O-N 3.37Å; R12-F14 VanDerWaalsContact C-N 3.34Å; F14-S16 VanDerWaalsContact C-N 3.27Å; F14-S16 PolarHBondContact O-N 3.45Å; F14-F17 HydrophobicContact CD2-CD1 4.49Å; F14-F17 WeakPolarHBondContact O-CB 3.24Å; F14-F17 PolarHBondContact O-N 3.48Å; F14-L18 HydrophobicContact CD1-CD1 3.76Å; F14-L18 HydrophobicContact CD2-CD1 4.27Å; F14-L18 HydrophobicContact CD2-CG 4.34Å; F14-L18 HydrophobicContact CE1-CD1 3.59Å; F14-L18 HydrophobicContact CE1-CG 4.5Å; F14-L18 HydrophobicContact CE2-CD1 4.09Å; F14-L18 HydrophobicContact CE2-CD2 4.31Å; F14-L18 HydrophobicContact CE2-CG 4.14Å; F14-L18 HydrophobicContact CG-CD1 4.12Å; F14-L18 HydrophobicContact CZ-CD1 3.76Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CB 3.48Å; F14-L18 WeakPolarHBondContact O-CD1 3.2Å; F14-L18 WeakPolarHBondContact O-CG 3.28Å; F14-L18 PolarHBondContact O-N 3.06Å; F14-F136 HydrophobicContact CE2-CD1 4.17Å; F14-F136 AromaticContact CE2-CE1 3.8Å; F14-F136 HydrophobicContact CE2-CE1 3.8Å; F14-F136 HydrophobicContact CE2-CE2 4.26Å; F14-F136 AromaticContact CE2-CZ 3.85Å; F14-F136 HydrophobicContact CE2-CZ 3.85Å; F14-F136 HydrophobicContact CZ-CE1 4.39Å; F14-F136 HydrophobicContact CZ-CE2 4.14Å; F14-F136 AromaticContact CZ-CZ 3.96Å; F14-F136 HydrophobicContact CZ-CZ 3.96Å; F14-A173 HydrophobicContact CE1-CB 3.67Å; F14-A173 HydrophobicContact CZ-CB 4.41Å; F14-L174 HydrophobicContact CE2-CD2 4.32Å; F14-L174 HydrophobicContact CZ-CD2 4.02Å; F14-L174 HydrophobicContact CZ-CG 4.1Å
15	L	48.1	Very low	46.5	Very low	93 Å²	93	82.3 Å²	82.3	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-37.5	172.7	-71.1	168.8	0	0	0	111.7	V11 R12 L18 E19	V11-L15 HydrophobicContact CG1-CD1 4Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 3.48Å; R12-L15 PolarHBondContact O-N 3.38Å; L15-L18 HydrophobicContact CD2-CD1 4.38Å; L15-L18 PolarHBondContact O-N 3.1Å; L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.31Å
16	S	60.5	Low	46.1	Very low	55 Å²	55	79.8 Å²	79.8	39%	0.385	40%	0.401	S	S	.	.	H	α-helix	trans	-70.2	-38.9	175.4	-57.3	0	0	0	0	112.1	R12 D13 F14 E19 Q20	R12-S16 VanDerWaalsContact O-CB 3.24Å; R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 2.87Å; R12-S16 PolarHBondContact O-OG 2.77Å; D13-S16 PolarHBondContact O-N 3.2Å; F14-S16 VanDerWaalsContact C-N 3.27Å; F14-S16 PolarHBondContact O-N 3.45Å; S16-E19 PolarHBondContact O-N 2.62Å; S16-Q20 VanDerWaalsContact O-CB 3.29Å; S16-Q20 WeakPolarHBondContact O-CB 3.17Å; S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.05Å
17	F	55.6	Low	45.6	Very low	92 Å²	92	83.7 Å²	83.7	40%	0.404	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-45.2	172.9	168	-92	0	0	0	110.7	D13 F14 Q20 N21 I25	D13-F17 WeakPolarHBondContact O-CB 3.47Å; D13-F17 PolarHBondContact O-N 2.73Å; F14-F17 HydrophobicContact CD2-CD1 4.49Å; F14-F17 WeakPolarHBondContact O-CB 3.24Å; F14-F17 PolarHBondContact O-N 3.48Å; F17-Q20 PolarHBondContact O-N 3.3Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE2-CB 4.28Å; F17-N21 VanDerWaalsContact CE2-ND2 3.32Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.43Å; F17-N21 HydrophobicContact CZ-CB 4.21Å; F17-N21 VanDerWaalsContact O-CB 3.22Å; F17-N21 WeakPolarHBondContact O-CB 3.28Å; F17-N21 PolarHBondContact O-N 3.02Å; F17-N21 PolarHBondContact O-ND2 2.87Å; F17-I25 HydrophobicContact CE1-CD1 4.04Å; F17-I25 HydrophobicContact CZ-CD1 4.49Å
18	L	44.8	Very low	45.3	Very low	14 Å²	14	89.2 Å²	89.2	7%	0.073	45%	0.448	C	S	.	.	H	α-helix	trans	-60.8	-44	175.2	-71.8	162.8	0	0	0	111.5	F14 L15 K22 A173 L174	F14-L18 HydrophobicContact CD1-CD1 3.76Å; F14-L18 HydrophobicContact CD2-CD1 4.27Å; F14-L18 HydrophobicContact CD2-CG 4.34Å; F14-L18 HydrophobicContact CE1-CD1 3.59Å; F14-L18 HydrophobicContact CE1-CG 4.5Å; F14-L18 HydrophobicContact CE2-CD1 4.09Å; F14-L18 HydrophobicContact CE2-CD2 4.31Å; F14-L18 HydrophobicContact CE2-CG 4.14Å; F14-L18 HydrophobicContact CG-CD1 4.12Å; F14-L18 HydrophobicContact CZ-CD1 3.76Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CB 3.48Å; F14-L18 WeakPolarHBondContact O-CD1 3.2Å; F14-L18 WeakPolarHBondContact O-CG 3.28Å; F14-L18 PolarHBondContact O-N 3.06Å; L15-L18 HydrophobicContact CD2-CD1 4.38Å; L15-L18 PolarHBondContact O-N 3.1Å; L18-K22 VanDerWaalsContact O-CA 3.3Å; L18-K22 WeakPolarHBondContact O-CA 3.21Å; L18-K22 VanDerWaalsContact O-CB 3.3Å; L18-K22 WeakPolarHBondContact O-CB 3.42Å; L18-K22 PolarHBondContact O-N 3.37Å; L18-A173 HydrophobicContact CD1-CB 4.2Å; L18-A173 WeakPolarHBondContact CD1-O 3.28Å; L18-A173 WeakPolarHBondContact CD2-O 3.49Å; L18-L174 HydrophobicContact CD2-CD2 3.93Å
19	E	52.7	Low	44.6	Very low	128 Å²	128	89.9 Å²	89.9	60%	0.598	46%	0.46	S	S	*	.	H	α-helix	trans	-65.9	-43.7	177.1	-157.2	73	-117.7	0	0	111.8	L15 S16 K22	L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.31Å; S16-E19 PolarHBondContact O-N 2.62Å; E19-K22 WeakPolarHBondContact O-CB 3.46Å; E19-K22 IonicContact OE1-NZ 2.97Å; E19-K22 PolarHBondContact OE1-NZ 2.84Å
20	Q	59.7	Low	43.4	Very low	158 Å²	158	89.8 Å²	89.8	74%	0.738	47%	0.474	S	S	*	.	H	α-helix	trans	-68.4	-40.2	179	-73.9	171.1	6.2	0	0	112.9	S16 F17	S16-Q20 VanDerWaalsContact O-CB 3.29Å; S16-Q20 WeakPolarHBondContact O-CB 3.17Å; S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.05Å; F17-Q20 PolarHBondContact O-N 3.3Å
21	N	41.4	Very low	42.7	Very low	47 Å²	47	94.7 Å²	94.7	25%	0.251	50%	0.5	S	S	.	.	H	α-helix	trans	-98.3	4	-175.4	-66.6	-87.6	0	0	0	112.8	F17 Q23 S24 I25	F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE2-CB 4.28Å; F17-N21 VanDerWaalsContact CE2-ND2 3.32Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.43Å; F17-N21 HydrophobicContact CZ-CB 4.21Å; F17-N21 VanDerWaalsContact O-CB 3.22Å; F17-N21 WeakPolarHBondContact O-CB 3.28Å; F17-N21 PolarHBondContact O-N 3.02Å; F17-N21 PolarHBondContact O-ND2 2.87Å; N21-Q23 PolarHBondContact O-N 3.22Å; N21-S24 WeakPolarHBondContact CA-OG 3.24Å; N21-S24 WeakPolarHBondContact CB-OG 3.38Å; N21-S24 PolarHBondContact O-N 2.78Å; N21-S24 PolarHBondContact O-OG 3.48Å; N21-S24 PolarHBondContact OD1-OG 3.18Å; N21-I25 HydrophobicContact CB-CD1 3.71Å; N21-I25 HydrophobicContact CB-CG1 4.05Å; N21-I25 WeakPolarHBondContact O-CB 3.11Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.32Å
22	K	42.2	Very low	41.8	Very low	64 Å²	64	96.4 Å²	96.4	28%	0.278	51%	0.513	S	S	.	.	H	α-helix	trans	-43	-46.3	176.6	-165	165.1	-179.2	169.1	0	112.1	L18 E19 L26	L18-K22 VanDerWaalsContact O-CA 3.3Å; L18-K22 WeakPolarHBondContact O-CA 3.21Å; L18-K22 VanDerWaalsContact O-CB 3.3Å; L18-K22 WeakPolarHBondContact O-CB 3.42Å; L18-K22 PolarHBondContact O-N 3.37Å; E19-K22 WeakPolarHBondContact O-CB 3.46Å; E19-K22 IonicContact OE1-NZ 2.97Å; E19-K22 PolarHBondContact OE1-NZ 2.84Å; K22-L26 HydrophobicContact CG-CD1 4.31Å; K22-L26 VanDerWaalsContact O-CB 3.32Å; K22-L26 WeakPolarHBondContact O-CB 3.35Å; K22-L26 VanDerWaalsContact O-CD1 3.28Å; K22-L26 WeakPolarHBondContact O-CD1 3.16Å; K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 3.16Å
23	Q	36.9	Very low	40.8	Very low	130 Å²	130	94.4 Å²	94.4	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-77.9	-31.6	179.5	-61.7	-65.7	0.8	0	0	114.1	N21 N27	N21-Q23 PolarHBondContact O-N 3.22Å; Q23-N27 WeakPolarHBondContact O-CB 3.28Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 2.94Å
24	S	39.1	Very low	39.6	Very low	66 Å²	66	93.2 Å²	93.2	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-76.4	-36.4	177.4	59.4	0	0	0	0	112.1	N21 N27	N21-S24 WeakPolarHBondContact CA-OG 3.24Å; N21-S24 WeakPolarHBondContact CB-OG 3.38Å; N21-S24 PolarHBondContact O-N 2.78Å; N21-S24 PolarHBondContact O-OG 3.48Å; N21-S24 PolarHBondContact OD1-OG 3.18Å; S24-N27 PolarHBondContact O-N 3.16Å
25	I	35.7	Very low	38.4	Very low	66 Å²	66	100.3 Å²	100.3	34%	0.338	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-36.7	176	-64.2	165.6	0	0	0	110.9	F17 N21	F17-I25 HydrophobicContact CE1-CD1 4.04Å; F17-I25 HydrophobicContact CZ-CD1 4.49Å; N21-I25 HydrophobicContact CB-CD1 3.71Å; N21-I25 HydrophobicContact CB-CG1 4.05Å; N21-I25 WeakPolarHBondContact O-CB 3.11Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.32Å
26	L	35.6	Very low	37.4	Very low	97 Å²	97	105.3 Å²	105.3	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-78.7	-18	175.9	-69.1	171.1	0	0	0	113.9	K22 M177	K22-L26 HydrophobicContact CG-CD1 4.31Å; K22-L26 VanDerWaalsContact O-CB 3.32Å; K22-L26 WeakPolarHBondContact O-CB 3.35Å; K22-L26 VanDerWaalsContact O-CD1 3.28Å; K22-L26 WeakPolarHBondContact O-CD1 3.16Å; K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 3.16Å; L26-M177 HydrophobicContact CD1-CE 4.2Å
27	N	33.2	Very low	35.8	Very low	115 Å²	115	110.4 Å²	110.4	62%	0.615	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	18.8	-176.6	-80	-21.8	0	0	0	114.8	Q23 S24 S29	Q23-N27 WeakPolarHBondContact O-CB 3.28Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 2.94Å; S24-N27 PolarHBondContact O-N 3.16Å; N27-S29 PolarHBondContact O-N 3.19Å
28	I	32.4	Very low	34.5	Very low	149 Å²	149	111.8 Å²	111.8	76%	0.764	61%	0.613	S	S	*	*			trans	-78.4	61.5	168.9	-43.1	177.8	0	0	0	109.6
29	S	27.8	Very low	33.7	Very low	96 Å²	96	118 Å²	118	67%	0.671	65%	0.651	S	S	*	*			trans	-125.4	143.3	174.5	-176.7	0	0	0	0	109.1	N27	N27-S29 PolarHBondContact O-N 3.19Å
30	S	27.5	Very low	32.5	Very low	115 Å²	115	117.6 Å²	117.6	80%	0.804	66%	0.662	S	S	*	*			trans	69.6	66	-176.3	71.9	0	0	0	0	117.3
31	V	27.6	Very low	30.9	Very low	135 Å²	135	113.4 Å²	113.4	82%	0.818	66%	0.661	S	S	*	*			trans	-99.9	125.2	143	-178	0	0	0	0	107.1
32	P	26	Very low	30.3	Very low	104 Å²	104	117.1 Å²	117.1	68%	0.675	69%	0.69	S	S	*	*			trans	-70.2	152	-178.6	29.8	-35.9	0	0	0	111.3	G34	P32-G34 PolarHBondContact O-N 2.98Å
33	P	28.9	Very low	29.6	Very low	132 Å²	132	119.3 Å²	119.3	86%	0.857	71%	0.713	S	S	*	*			trans	-69.8	98.5	-174.1	28.2	-34.8	0	0	0	111.9
34	G	27	Very low	29.1	Very low	53 Å²	53	119.9 Å²	119.9	55%	0.546	72%	0.716	S	S	.	*			trans	-68.4	128.1	162.2	0	0	0	0	0	109.6	P32 F36	P32-G34 PolarHBondContact O-N 2.98Å; G34-F36 PolarHBondContact O-N 3.22Å
35	K	24.4	Very low	28.5	Very low	198 Å²	198	122 Å²	122	86%	0.861	73%	0.729	S	S	*	*			trans	-62.7	106.7	177.8	-69.7	-178.8	177.4	-178	0	110.4
36	F	27.1	Very low	28	Very low	197 Å²	197	126 Å²	126	86%	0.864	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-100.4	130.6	166.4	-84.7	-86.6	0	0	0	110.2	G34	G34-F36 PolarHBondContact O-N 3.22Å
37	H	25.2	Very low	27.6	Very low	162 Å²	162	125.5 Å²	125.5	75%	0.75	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-89.7	127.8	172.3	-68.7	-80	0	0	0	108.9	V39	H37-V39 PolarHBondContact O-N 2.92Å
38	P	29.8	Very low	27.2	Very low	121 Å²	121	125.7 Å²	125.7	79%	0.786	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.8	130.1	178	27.6	-33.3	0	0	0	110.6
39	V	27.9	Very low	26.9	Very low	145 Å²	145	124 Å²	124	88%	0.879	75%	0.753	S	S	*	*			trans	-90.3	115.7	175.5	178.5	0	0	0	0	109.1	H37	H37-V39 PolarHBondContact O-N 2.92Å
40	S	26.1	Very low	26.8	Very low	119 Å²	119	124 Å²	124	83%	0.832	75%	0.751	S	S	*	*			trans	-78.2	138.9	-179.6	-44.5	0	0	0	0	112.7
41	G	27	Very low	26.8	Very low	70 Å²	70	124.8 Å²	124.8	72%	0.722	75%	0.753	S	S	*	*			trans	116.4	93.8	156.2	0	0	0	0	0	116.7
42	C	28.6	Very low	26.8	Very low	126 Å²	126	124.3 Å²	124.3	85%	0.851	75%	0.751	S	S	*	*			trans	-133.2	120.1	159.8	-82	0	0	0	0	109.2
43	S	27.2	Very low	26.9	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	76%	0.756	S	S	*	*			trans	-102.8	138	178.6	58.6	0	0	0	0	112
44	E	26.2	Very low	26.8	Very low	143 Å²	143	126.9 Å²	126.9	67%	0.668	74%	0.744	S	S	*	*			trans	13.5	110.7	158	-64.3	178.2	-177.3	0	0	117.3
45	C	27.9	Very low	26.6	Very low	110 Å²	110	130.7 Å²	130.7	74%	0.743	75%	0.751	S	S	*	*			trans	-115.6	87.4	166.1	-78.9	0	0	0	0	109.8	T47	C45-T47 PolarHBondContact O-N 3.19Å
46	I	24.4	Very low	26.7	Very low	149 Å²	149	131.9 Å²	131.9	76%	0.764	75%	0.752	S	S	*	*			trans	-70.3	95.2	179.8	-49.6	170.6	0	0	0	109.9
47	T	28	Very low	26.5	Very low	87 Å²	87	128.5 Å²	128.5	53%	0.534	75%	0.747	S	S	.	*			trans	-113.7	103.8	166.6	41.9	0	0	0	0	111.3	C45 L49	C45-T47 PolarHBondContact O-N 3.19Å; T47-L49 PolarHBondContact O-N 3.15Å
48	S	23.4	Very low	26.4	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	75%	0.752	S	S	*	*			trans	-71.5	95	174.6	58.2	0	0	0	0	111.4
49	L	27	Very low	26.1	Very low	112 Å²	112	127.9 Å²	127.9	59%	0.586	75%	0.752	S	S	*	*			trans	-97.1	139.7	162.4	-82.6	156.7	0	0	0	109.1	T47	T47-L49 PolarHBondContact O-N 3.15Å
50	P	25.1	Very low	25.9	Very low	98 Å²	98	127.7 Å²	127.7	64%	0.636	75%	0.751	S	S	*	*			trans	-68.8	139.5	-177.1	28.2	-34	0	0	0	110.9	T52	P50-T52 PolarHBondContact O-N 3.01Å
51	P	26.9	Very low	25.8	Very low	130 Å²	130	127.1 Å²	127.1	84%	0.844	74%	0.744	S	S	*	*			trans	-65	112.8	177.1	26.9	-33.5	0	0	0	109.4
52	T	29.2	Very low	25.8	Very low	125 Å²	125	128 Å²	128	77%	0.767	73%	0.731	S	S	*	*			trans	-83.5	117.2	172.9	12.5	0	0	0	0	107.9	P50 N54	P50-T52 PolarHBondContact O-N 3.01Å; T52-N54 PolarHBondContact O-N 3.36Å
53	K	26.8	Very low	25.8	Very low	178 Å²	178	126.8 Å²	126.8	77%	0.774	72%	0.72	S	S	*	*			trans	-65.2	128.4	174.4	-75.4	-177	167.1	-171.2	0	109.6	D55	K53-D55 PolarHBondContact O-N 3.38Å
54	N	27.8	Very low	25.8	Very low	113 Å²	113	123.6 Å²	123.6	60%	0.604	69%	0.694	S	S	*	*			trans	-74.5	65.6	171.6	-74.2	-24.5	0	0	0	111.2	T52 Y56	T52-N54 PolarHBondContact O-N 3.36Å; N54-Y56 VanDerWaalsContact C-N 3.27Å; N54-Y56 PolarHBondContact O-N 3.03Å
55	D	22.3	Very low	25.9	Very low	133 Å²	133	120 Å²	120	71%	0.711	68%	0.679	S	S	*	*			trans	-85.5	67	166.5	-73.8	-39	0	0	0	109.6	K53	K53-D55 PolarHBondContact O-N 3.38Å
56	Y	27.2	Very low	26	Very low	222 Å²	222	118.7 Å²	118.7	87%	0.871	67%	0.669	S	S	*	*			trans	-124.2	98.6	170.2	-90	-78.9	0	0	0	112.1	N54	N54-Y56 VanDerWaalsContact C-N 3.27Å; N54-Y56 PolarHBondContact O-N 3.03Å
57	V	23.6	Very low	26.2	Very low	127 Å²	127	121.3 Å²	121.3	77%	0.77	68%	0.675	S	S	*	*			trans	-54.9	139.7	165.7	173.8	0	0	0	0	109.8	Q59	V57-Q59 PolarHBondContact O-N 2.95Å
58	A	22.4	Very low	26.1	Very low	102 Å²	102	125.9 Å²	125.9	84%	0.843	70%	0.695	S	S	*	*	S	Bend	trans	-51.2	102.5	-179.7	0	0	0	0	0	113.2
59	Q	23	Very low	26.2	Very low	168 Å²	168	126.4 Å²	126.4	79%	0.785	69%	0.689	S	S	*	*			trans	-141.6	103.7	163.4	-68.8	-168.4	2.5	0	0	109.1	V57 P61	V57-Q59 PolarHBondContact O-N 2.95Å; Q59-P61 VanDerWaalsContact O-CD 3.25Å; Q59-P61 WeakPolarHBondContact O-CD 3.07Å
60	T	22.9	Very low	26.2	Very low	141 Å²	141	128.2 Å²	128.2	87%	0.865	69%	0.694	S	S	*	*			trans	-69.2	126.6	159.4	42.1	0	0	0	0	109.8
61	P	25.9	Very low	26.3	Very low	106 Å²	106	129.5 Å²	129.5	69%	0.688	70%	0.696	S	S	*	*			trans	-140.6	116.2	136.4	35.1	-20.6	0	0	0	114.2	Q59	Q59-P61 VanDerWaalsContact O-CD 3.25Å; Q59-P61 WeakPolarHBondContact O-CD 3.07Å
62	I	25.2	Very low	26.4	Very low	88 Å²	88	128.6 Å²	128.6	45%	0.451	69%	0.69	S	S	.	*				8.5	111.7	122.8	-56.2	172.7	0	0	0	116	L4 M7	L4-I62 HydrophobicContact CD1-CG2 3.81Å; M7-I62 HydrophobicContact CB-CG2 3.55Å; M7-I62 HydrophobicContact CE-CB 4.3Å; M7-I62 HydrophobicContact CE-CG2 3.97Å; M7-I62 HydrophobicContact CG-CG2 3.65Å
63	V	29.1	Very low	26.1	Very low	101 Å²	101	129.7 Å²	129.7	61%	0.612	69%	0.691	S	S	*	*			trans	172.5	143.7	155.4	155.7	0	0	0	0	110.1	T3	T3-V63 VanDerWaalsContact O-CG2 3.23Å; T3-V63 WeakPolarHBondContact O-CG2 3.17Å
64	L	27.6	Very low	26.1	Very low	43 Å²	43	128.4 Å²	128.4	23%	0.225	69%	0.691	C	S	.	*			cis	-159.9	149.8	-39.3	-176.2	133.4	0	0	0	111.9	T3 S6 M7 P66	T3-L64 WeakPolarHBondContact O-CB 3.31Å; T3-L64 WeakPolarHBondContact O-CD1 3.08Å; S6-L64 VanDerWaalsContact C-CD1 3.44Å; M7-L64 HydrophobicContact CB-CD1 4.16Å; M7-L64 HydrophobicContact CG-CB 3.78Å; M7-L64 HydrophobicContact CG-CD1 4.13Å; M7-L64 HydrophobicContact CG-CG 4.15Å; M7-L64 VanDerWaalsContact SD-CA 3.53Å; M7-L64 HydrophobicContact SD-CB 4.42Å; L64-P66 HydrophobicContact CD2-CG 4.43Å
65	L	27.7	Very low	26.1	Very low	66 Å²	66	129.8 Å²	129.8	35%	0.346	70%	0.697	S	S	.	*			trans	-141.2	142.6	163	-99.9	133.8	0	0	0	114.8	C134	L65-C134 HydrophobicContact CD1-CB 3.93Å; L65-C134 WeakPolarHBondContact CD1-O 3.15Å; L65-C134 WeakPolarHBondContact CD2-O 3.29Å
66	P	30.8	Very low	26.2	Very low	83 Å²	83	128.9 Å²	128.9	54%	0.539	70%	0.701	S	S	.	*			trans	-118.3	143.1	168.8	36.6	-24.3	0	0	0	115.1	L64	L64-P66 HydrophobicContact CD2-CG 4.43Å
67	K	28.5	Very low	26	Very low	205 Å²	205	129.1 Å²	129.1	89%	0.891	70%	0.7	S	S	*	*			trans	66.4	92	153.4	-63.5	-177.3	177.8	-175.5	0	119.2
68	L	25	Very low	26.1	Very low	182 Å²	182	128 Å²	128	95%	0.953	70%	0.698	S	S	*	*			trans	-86.9	127.4	135.9	-85.2	164	0	0	0	108.8
69	N	26.6	Very low	26.3	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	70%	0.698	S	S	*	*			trans	-147.9	158.6	150.8	-162.7	33.7	0	0	0	108.3
70	E	27.5	Very low	26.3	Very low	150 Å²	150	132.1 Å²	132.1	70%	0.701	70%	0.703	S	S	*	*	S	Bend	trans	78.1	107.2	168.2	-71.5	147.3	-118.3	0	0	118.9
71	N	26.2	Very low	26.7	Very low	126 Å²	126	131.6 Å²	131.6	67%	0.674	69%	0.693	S	S	*	*			trans	86.7	107.5	151.2	-60.8	-42.7	0	0	0	119.8
72	P	28.7	Very low	26.8	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	70%	0.701	S	S	*	*	S	Bend	trans	-68.8	157.9	141	34.8	-32.9	0	0	0	109.6
73	D	24.3	Very low	26.7	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	72%	0.717	S	S	*	*			trans	64.2	149.9	-175.6	-55.8	-37.4	0	0	0	116
74	I	26.9	Very low	26.6	Very low	151 Å²	151	144.6 Å²	144.6	77%	0.774	73%	0.73	S	S	*	*			trans	115.6	129.1	175.6	-59.9	156.4	0	0	0	113.3
75	I	26.4	Very low	26.4	Very low	142 Å²	142	148.2 Å²	148.2	73%	0.728	75%	0.754	S	S	*	*			trans	79.2	76.4	174.2	-31.3	-165	0	0	0	118.2	R77	I75-R77 VanDerWaalsContact CG2-O 3.31Å; I75-R77 WeakPolarHBondContact CG2-O 3.46Å
76	S	24.2	Very low	26.4	Very low	114 Å²	114	150.1 Å²	150.1	80%	0.797	77%	0.773	S	S	*	*			trans	-62.5	158.7	130.8	-47.7	0	0	0	0	110.8
77	R	24	Very low	26.2	Very low	226 Å²	226	155.7 Å²	155.7	85%	0.853	79%	0.789	S	S	*	*			trans	82.2	130.6	-172.2	-49.5	167.2	175	165.4	-1.3	111.8	I75	I75-R77 VanDerWaalsContact CG2-O 3.31Å; I75-R77 WeakPolarHBondContact CG2-O 3.46Å
78	S	25.2	Very low	25.9	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	79%	0.787	S	S	*	*			cis	-157.9	146.7	20.9	-35.4	0	0	0	0	110.3
79	F	26	Very low	26	Very low	190 Å²	190	148.6 Å²	148.6	83%	0.833	78%	0.78	S	S	*	*				179.6	89.1	122.3	-112.9	-82.7	0	0	0	110.9	I81	F79-I81 HydrophobicContact CD1-CD1 4.24Å; F79-I81 HydrophobicContact CD1-CG1 4.27Å; F79-I81 HydrophobicContact CE1-CD1 4.25Å
80	D	24	Very low	25.8	Very low	166 Å²	166	151.7 Å²	151.7	89%	0.888	79%	0.787	S	S	*	*			trans	-75	116.6	164.3	-79.6	-61.9	0	0	0	110.2
81	I	30.4	Very low	25.5	Very low	130 Å²	130	152 Å²	152	67%	0.667	79%	0.793	S	S	*	*			trans	-137.1	97.8	159.8	-70.9	-167.8	0	0	0	109.5	F79	F79-I81 HydrophobicContact CD1-CD1 4.24Å; F79-I81 HydrophobicContact CD1-CG1 4.27Å; F79-I81 HydrophobicContact CE1-CD1 4.25Å
82	Y	27.9	Very low	25.4	Very low	218 Å²	218	151.6 Å²	151.6	86%	0.855	80%	0.795	S	S	*	*			trans	74.9	95.9	156.7	-71.5	-104.2	0	0	0	120.9
83	C	23.5	Very low	25.3	Very low	116 Å²	116	152.1 Å²	152.1	78%	0.784	80%	0.799	S	S	*	*			trans	-66.3	143.7	143.9	-66.1	0	0	0	0	111.7
84	R	26.7	Very low	25.3	Very low	234 Å²	234	152.5 Å²	152.5	88%	0.883	80%	0.801	S	S	*	*				174.3	113.4	114.1	-96.2	177.8	-174.5	-172.3	2.9	113.9
85	T	24.4	Very low	25.2	Very low	120 Å²	120	155.8 Å²	155.8	74%	0.736	80%	0.803	S	S	*	*			trans	26.1	117.5	130.1	58.7	0	0	0	0	119.5
86	S	26.6	Very low	25.3	Very low	106 Å²	106	156 Å²	156	74%	0.741	81%	0.805	S	S	*	*				172.1	125.7	105.4	-76.9	0	0	0	0	115
87	K	27	Very low	25.4	Very low	200 Å²	200	157.3 Å²	157.3	87%	0.87	80%	0.803	S	S	*	*			trans	43.7	103.7	140.8	-58	-176.4	-179.3	-178.5	0	120.3
88	S	23	Very low	26	Very low	123 Å²	123	150.8 Å²	150.8	86%	0.86	78%	0.784	S	S	*	*				36.1	112.5	129.8	-170.2	0	0	0	0	120.5
89	S	26	Very low	26.3	Very low	114 Å²	114	151.3 Å²	151.3	80%	0.797	79%	0.785	S	S	*	*				-159.3	129.9	129.7	61.1	0	0	0	0	112.4
90	K	22.4	Very low	26.8	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	77%	0.766	S	S	*	*			trans	-12.2	126.9	165.9	-72.6	174.5	166	178.2	0	117.8
91	L	22.9	Very low	28.1	Very low	157 Å²	157	140.5 Å²	140.5	82%	0.822	75%	0.745	S	S	*	*				160.7	159.5	117.3	-90.9	158.5	0	0	0	113.7
92	T	23.9	Very low	29.5	Very low	117 Å²	117	138 Å²	138	72%	0.718	74%	0.736	S	S	*	*			trans	74.1	152.2	155.9	32.6	0	0	0	0	119.2
93	P	25.2	Very low	31.9	Very low	123 Å²	123	129.2 Å²	129.2	80%	0.799	71%	0.707	S	S	*	*			trans	-76	132.1	-151.8	28.3	-35.8	0	0	0	113.7	R95	P93-R95 PolarHBondContact O-N 3.33Å
94	N	24.5	Very low	34.8	Very low	155 Å²	155	123.9 Å²	123.9	83%	0.829	67%	0.671	S	S	*	*			trans	-68.9	99.5	179.8	-74.5	-27.3	0	0	0	111.5	L96	N94-L96 PolarHBondContact O-N 2.76Å
95	R	25.4	Very low	37.7	Very low	221 Å²	221	114.8 Å²	114.8	83%	0.834	64%	0.638	S	S	*	*			trans	-61	113.6	146.5	-78.9	-174.4	171.9	-169.5	-3.1	107.5	P93 N97	P93-R95 PolarHBondContact O-N 3.33Å; R95-N97 VanDerWaalsContact C-N 3.26Å; R95-N97 PolarHBondContact O-N 2.89Å
96	L	27.6	Very low	40.7	Very low	147 Å²	147	109 Å²	109	77%	0.77	60%	0.603	S	S	*	*			trans	-71.7	85.6	173.7	-123.2	143	0	0	0	108.7	N94 I98	N94-L96 PolarHBondContact O-N 2.76Å; L96-I98 HydrophobicContact CD2-CG1 4.13Å; L96-I98 PolarHBondContact O-N 3.3Å
97	N	27.6	Very low	43.3	Very low	141 Å²	141	107.5 Å²	107.5	75%	0.754	58%	0.582	S	S	*	*			trans	-69.4	84.2	169.8	-75.7	-15.8	0	0	0	108.5	R95 P99	R95-N97 VanDerWaalsContact C-N 3.26Å; R95-N97 PolarHBondContact O-N 2.89Å; N97-P99 WeakPolarHBondContact O-CD 3.23Å
98	I	35.2	Very low	45.9	Very low	88 Å²	88	100 Å²	100	45%	0.451	55%	0.554	S	S	.	*			trans	-63.9	120.8	168.3	-60.1	167.6	0	0	0	107.2	L96 C100 N157	L96-I98 HydrophobicContact CD2-CG1 4.13Å; L96-I98 PolarHBondContact O-N 3.3Å; I98-C100 VanDerWaalsContact C-N 3.34Å; I98-C100 PolarHBondContact O-N 3.49Å; I98-N157 HydrophobicContact CG2-CB 4.14Å
99	P	32.2	Very low	49.1	Very low	115 Å²	115	94.1 Å²	94.1	75%	0.747	51%	0.513	S	S	*	.			trans	-69.8	92.2	177.4	28.1	-33.4	0	0	0	109.5	N97 S101	N97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-S101 PolarHBondContact O-N 3.18Å; P99-S101 VanDerWaalsContact O-N 3.11Å
100	C	35.6	Very low	52	Low	63 Å²	63	88.7 Å²	88.7	43%	0.426	48%	0.475	S	S	.	.			trans	-71.7	102.6	-174.9	-178.8	0	0	0	0	111.8	I98 V102 I159	I98-C100 VanDerWaalsContact C-N 3.34Å; I98-C100 PolarHBondContact O-N 3.49Å; C100-V102 PolarHBondContact O-N 3.05Å; C100-V102 VanDerWaalsContact O-N 3.13Å; C100-I159 HydrophobicContact CB-CD1 4.36Å
101	S	52.4	Low	55.2	Low	66 Å²	66	79.4 Å²	79.4	46%	0.462	44%	0.435	S	S	.	.			trans	-77.8	87.8	170.3	42.3	0	0	0	0	111.3	P99 N158	P99-S101 PolarHBondContact O-N 3.18Å; P99-S101 VanDerWaalsContact O-N 3.11Å; S101-N158 PolarHBondContact O-OD1 3.21Å
102	V	59.4	Low	58.2	Low	77 Å²	77	72.5 Å²	72.5	47%	0.467	40%	0.399	S	S	.	.			trans	58.9	86.6	167.4	-167.3	0	0	0	0	114.5	C100 S104 K128 P129	C100-V102 PolarHBondContact O-N 3.05Å; C100-V102 VanDerWaalsContact O-N 3.13Å; V102-S104 PolarHBondContact O-N 3.36Å; V102-S104 PolarHBondContact O-OG 3.24Å; V102-K128 HydrophobicContact CG1-CD 4.36Å; V102-P129 HydrophobicContact CG1-CG 4.09Å
103	S	77.5	Confident	61.1	Low	35 Å²	35	69.2 Å²	69.2	25%	0.245	39%	0.388	C	S	.	.			trans	-55.7	131.7	166.7	62.2	0	0	0	0	111.5	P129 I159	S103-P129 WeakPolarHBondContact O-CD 3.4Å; S103-P129 WeakPolarHBondContact O-CG 3.46Å; S103-I159 CarbonylContact C-O 3.6Å; S103-I159 VanDerWaalsContact CA-O 3.3Å; S103-I159 WeakPolarHBondContact CA-O 3.38Å
104	S	84.9	Confident	63.9	Low	3 Å²	3	64.3 Å²	64.3	2%	0.021	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.2	-176.1	-58.7	0	0	0	0	111.4	V102 I159 Y160 Y161	V102-S104 PolarHBondContact O-N 3.36Å; V102-S104 PolarHBondContact O-OG 3.24Å; S104-I159 PolarHBondContact N-O 3.48Å; S104-Y160 CarbonylContact O-C 3.54Å; S104-Y160 WeakPolarHBondContact O-CA 3.27Å; S104-Y161 PolarHBondContact O-N 2.77Å
105	E	87.3	Confident	66.7	Low	43 Å²	43	59.6 Å²	59.6	20%	0.201	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.4	174.4	-58.6	-172	116.9	0	0	109.7	Y107 E126 R127 Y161 R163	E105-Y107 HydrophobicContact CB-CD2 4.43Å; E105-Y107 HydrophobicContact CB-CE2 3.8Å; E105-Y107 PolarHBondContact OE2-OH 2.73Å; E105-Y107 VanDerWaalsContact OE2-OH 3.08Å; E105-E126 CarbonylContact O-C 3.59Å; E105-E126 WeakPolarHBondContact O-CA 3.48Å; E105-R127 HydrophobicContact CB-CB 4.49Å; E105-R127 PolarHBondContact N-O 2.87Å; E105-R127 PolarHBondContact O-N 3.32Å; E105-Y161 WeakPolarHBondContact CA-O 3.41Å; E105-R163 HydrophobicContact CB-CG 4.16Å; E105-R163 IonicContact OE1-CZ 3.78Å; E105-R163 IonicContact OE1-NE 3.78Å; E105-R163 PolarHBondContact OE1-NE 2.8Å; E105-R163 IonicContact OE1-NH2 2.74Å; E105-R163 PolarHBondContact OE1-NH2 3.02Å
106	L	87.3	Confident	69	Low	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.8	179.1	-162.4	73.3	0	0	0	110	W109 L122 E126 V137 Y160 Y161 L162 R163	L106-W109 HydrophobicContact CD2-CB 3.66Å; L106-W109 HydrophobicContact CG-CB 3.9Å; L106-L122 HydrophobicContact CD2-CB 3.95Å; L106-L122 HydrophobicContact CD2-CD1 3.9Å; L106-E126 HydrophobicContact CD1-CB 4.21Å; L106-V137 HydrophobicContact CD1-CG2 3.67Å; L106-Y160 HydrophobicContact CB-CD1 4.17Å; L106-Y160 HydrophobicContact CD1-CD1 4.27Å; L106-Y161 PolarHBondContact N-O 3.22Å; L106-L162 HydrophobicContact CB-CD2 4.13Å; L106-L162 HydrophobicContact CD2-CD2 3.97Å; L106-R163 PolarHBondContact O-N 3.28Å
107	Y	82.7	Confident	71.5	Confident	74 Å²	74	50.1 Å²	50.1	29%	0.29	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.3	179.3	-60.5	-94.2	0	0	0	111.1	E105 W109 I125 R127 R163	E105-Y107 HydrophobicContact CB-CD2 4.43Å; E105-Y107 HydrophobicContact CB-CE2 3.8Å; E105-Y107 PolarHBondContact OE2-OH 2.73Å; E105-Y107 VanDerWaalsContact OE2-OH 3.08Å; Y107-W109 PolarHBondContact O-N 2.69Å; Y107-I125 PolarHBondContact N-O 3.41Å; Y107-I125 PolarHBondContact O-N 3.46Å; Y107-R127 HydrophobicContact CD2-CB 4.32Å; Y107-R127 HydrophobicContact CE2-CB 3.82Å; Y107-R163 HydrophobicContact CD1-CB 3.41Å; Y107-R163 VanDerWaalsContact CD1-CB 3.41Å; Y107-R163 HydrophobicContact CD1-CG 4.05Å; Y107-R163 HydrophobicContact CE1-CB 3.58Å; Y107-R163 HydrophobicContact CE1-CG 3.76Å; Y107-R163 HydrophobicContact CG-CB 4.01Å
108	S	81.9	Confident	74.1	Confident	42 Å²	42	43.4 Å²	43.4	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49	46.1	176.7	-170.8	0	0	0	0	111.9	S167 T170	S108-S167 VanDerWaalsContact C-CB 3.42Å; S108-S167 WeakPolarHBondContact OG-CB 3.37Å; S108-S167 PolarHBondContact OG-OG 2.72Å; S108-T170 PolarHBondContact O-OG1 3.1Å; S108-T170 VanDerWaalsContact O-OG1 3.14Å; S108-T170 PolarHBondContact OG-OG1 3.28Å
109	W	88.7	Confident	76.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	155.7	-168.9	62.9	-88.8	0	0	0	111.5	L106 Y107 L122 A123 L162 G164 G165 F166 S167 F191 G194 F195	L106-W109 HydrophobicContact CD2-CB 3.66Å; L106-W109 HydrophobicContact CG-CB 3.9Å; Y107-W109 PolarHBondContact O-N 2.69Å; W109-L122 HydrophobicContact CE3-CD2 4.2Å; W109-A123 CarbonylContact C-O 3.53Å; W109-A123 WeakPolarHBondContact CA-O 3.34Å; W109-L162 HydrophobicContact CD2-CD1 3.94Å; W109-L162 HydrophobicContact CD2-CD2 4.21Å; W109-L162 HydrophobicContact CD2-CG 4.47Å; W109-L162 HydrophobicContact CE3-CD1 4.06Å; W109-L162 HydrophobicContact CG-CD2 4.17Å; W109-L162 HydrophobicContact CH2-CD1 3.9Å; W109-L162 HydrophobicContact CZ2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.03Å; W109-G164 PolarHBondContact NE1-O 2.88Å; W109-G165 PolarHBondContact NE1-O 2.79Å; W109-F166 HydrophobicContact CH2-CB 4.21Å; W109-F166 HydrophobicContact CZ2-CB 4.43Å; W109-F166 HydrophobicContact CZ3-CB 4.5Å; W109-F166 CarbonylContact O-C 3.58Å; W109-F166 WeakPolarHBondContact O-CA 3.38Å; W109-S167 PolarHBondContact O-N 3.4Å; W109-F191 HydrophobicContact CH2-CB 4.2Å; W109-F191 AromaticContact CH2-CD1 3.86Å; W109-F191 HydrophobicContact CH2-CD1 3.86Å; W109-F191 HydrophobicContact CZ3-CD1 4.07Å; W109-G194 VanDerWaalsContact CH2-C 3.47Å; W109-G194 WeakPolarHBondContact CH2-O 3.21Å; W109-F195 HydrophobicContact CH2-CB 4.44Å; W109-F195 HydrophobicContact CH2-CD2 4.39Å; W109-F195 AromaticContact CZ3-CD2 3.85Å; W109-F195 HydrophobicContact CZ3-CD2 3.85Å; W109-F195 HydrophobicContact CZ3-CE2 4.47Å
110	C	87.3	Confident	79.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.9	169.9	56.7	0	0	0	0	110.4	A123 F166 F171	C110-A123 PolarHBondContact N-O 2.77Å; C110-A123 PolarHBondContact O-N 2.9Å; C110-F166 HydrophobicContact CB-CD2 3.8Å; C110-F166 HydrophobicContact CB-CE2 3.64Å; C110-F171 HydrophobicContact CB-CB 3.88Å; C110-F171 HydrophobicContact CB-CD2 4.14Å; C110-F171 HydrophobicContact CB-CG 4.5Å
111	P	89	Confident	81.9	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.1	168.2	32.8	-34.9	0	0	0	109.8	L114 C120 C121 F166 F191 F195 L207	P111-L114 HydrophobicContact CB-CD2 3.72Å; P111-L114 HydrophobicContact CG-CD2 4.22Å; P111-C120 HydrophobicContact CB-CB 4.23Å; P111-C121 CarbonylContact C-O 3.54Å; P111-C121 WeakPolarHBondContact CA-O 3.33Å; P111-F166 HydrophobicContact CG-CD2 4.49Å; P111-F191 HydrophobicContact CG-CE1 4.21Å; P111-F195 HydrophobicContact CB-CE2 4.09Å; P111-F195 HydrophobicContact CB-CZ 4.32Å; P111-L207 HydrophobicContact CG-CD2 3.6Å
112	V	87.4	Confident	83.8	Confident	12 Å²	12	29.9 Å²	29.9	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	166.2	179.1	-65.3	0	0	0	0	110.6	L114 C120 C121 A123 V138 L174	V112-L114 PolarHBondContact O-N 2.98Å; V112-C120 WeakPolarHBondContact O-CB 3.43Å; V112-C121 HydrophobicContact CG2-CB 4.14Å; V112-C121 PolarHBondContact N-O 2.94Å; V112-C121 PolarHBondContact O-N 2.84Å; V112-C121 VanDerWaalsContact O-O 3.12Å; V112-A123 HydrophobicContact CB-CB 4.43Å; V112-A123 HydrophobicContact CG1-CB 3.72Å; V112-A123 HydrophobicContact CG2-CB 3.82Å; V112-V138 HydrophobicContact CG2-CG1 4.01Å; V112-L174 HydrophobicContact CG1-CB 4.35Å; V112-L174 HydrophobicContact CG1-CD1 3.78Å
113	G	83.6	Confident	85	Confident	48 Å²	48	26.2 Å²	26.2	50%	0.495	16%	0.155	S	C	.	.	S	Bend	trans	59.8	38	-175.6	0	0	0	0	0	111.6
114	L	84.8	Confident	85.2	Confident	20 Å²	20	24.6 Å²	24.6	11%	0.105	14%	0.143	C	C	.	.			trans	-63.2	138.3	-175.8	-38.3	-177.6	0	0	0	109.6	P111 V112 C120 T204 L207 H208 I211	P111-L114 HydrophobicContact CB-CD2 3.72Å; P111-L114 HydrophobicContact CG-CD2 4.22Å; V112-L114 PolarHBondContact O-N 2.98Å; L114-C120 HydrophobicContact CD2-CB 3.84Å; L114-T204 HydrophobicContact CB-CG2 4.45Å; L114-T204 HydrophobicContact CD2-CG2 3.91Å; L114-L207 HydrophobicContact CD1-CB 3.92Å; L114-L207 HydrophobicContact CD1-CD2 3.73Å; L114-L207 HydrophobicContact CD1-CG 3.59Å; L114-L207 HydrophobicContact CD2-CD2 4.49Å; L114-H208 HydrophobicContact CB-CB 3.86Å; L114-H208 HydrophobicContact CD1-CB 4.35Å; L114-H208 PolarHBondContact O-CD2 2.83Å; L114-I211 HydrophobicContact CD1-CD1 3.54Å; L114-I211 HydrophobicContact CG-CD1 4.41Å
115	Q	82.8	Confident	84.9	Confident	56 Å²	56	27.6 Å²	27.6	26%	0.262	16%	0.158	S	C	.	.			trans	-118.3	167.4	178.7	-74.7	163.1	100.3	0	0	112	D117 G118 D119 R141	Q115-D117 WeakPolarHBondContact CB-OD1 3.41Å; Q115-D117 PolarHBondContact O-N 2.76Å; Q115-G118 PolarHBondContact O-N 3.12Å; Q115-D119 HydrophobicContact CB-CB 4.46Å; Q115-D119 PolarHBondContact N-O 3.02Å; Q115-D119 VanDerWaalsContact NE2-CB 3.33Å; Q115-R141 VanDerWaalsContact NE2-CZ 3.28Å
116	V	74.8	Confident	84.7	Confident	86 Å²	86	25.6 Å²	25.6	52%	0.521	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.3	-177.1	-170.9	0	0	0	0	112.7	Q205	V116-Q205 WeakPolarHBondContact O-CG 3.41Å; V116-Q205 PolarHBondContact O-NE2 3.46Å
117	D	80	Confident	84.3	Confident	83 Å²	83	30.2 Å²	30.2	44%	0.444	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.8	174.3	55.9	6.8	0	0	0	113.4	Q115 D119	Q115-D117 WeakPolarHBondContact CB-OD1 3.41Å; Q115-D117 PolarHBondContact O-N 2.76Å; D117-D119 WeakPolarHBondContact OD1-CB 3.1Å; D117-D119 PolarHBondContact OD1-N 3.48Å
118	G	80.8	Confident	84.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	82.1	6.2	-175.1	0	0	0	0	0	115	Q115 W200 R201 T204	Q115-G118 PolarHBondContact O-N 3.12Å; G118-W200 WeakPolarHBondContact O-CZ3 3.32Å; G118-R201 WeakPolarHBondContact CA-O 3.47Å; G118-T204 VanDerWaalsContact O-CB 3.31Å; G118-T204 WeakPolarHBondContact O-CB 3.29Å; G118-T204 VanDerWaalsContact O-CG2 3.28Å; G118-T204 WeakPolarHBondContact O-CG2 3.43Å
119	D	86.8	Confident	83.5	Confident	21 Å²	21	30.4 Å²	30.4	11%	0.112	17%	0.17	C	C	.	.			trans	-68	146.2	167.2	-92.6	11.2	0	0	0	110.8	Q115 D117 R141 R201	Q115-D119 HydrophobicContact CB-CB 4.46Å; Q115-D119 PolarHBondContact N-O 3.02Å; Q115-D119 VanDerWaalsContact NE2-CB 3.33Å; D117-D119 WeakPolarHBondContact OD1-CB 3.1Å; D117-D119 PolarHBondContact OD1-N 3.48Å; D119-R141 IonicContact OD2-CZ 3.96Å; D119-R141 IonicContact OD2-NH1 3.96Å; D119-R141 PolarHBondContact OD2-NH1 3.42Å; D119-R201 IonicContact OD1-CZ 2.64Å; D119-R201 VanDerWaalsContact OD1-CZ 3.22Å; D119-R201 IonicContact OD1-NE 3.29Å; D119-R201 PolarHBondContact OD1-NE 3.33Å; D119-R201 IonicContact OD1-NH2 3.39Å; D119-R201 PolarHBondContact OD1-NH2 2.93Å
120	C	89.5	Confident	82.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.214	C	C	.	.			trans	-151.7	168.1	174.5	65.7	0	0	0	0	112	P111 V112 L114 R141 V142 T204	P111-C120 HydrophobicContact CB-CB 4.23Å; V112-C120 WeakPolarHBondContact O-CB 3.43Å; L114-C120 HydrophobicContact CD2-CB 3.84Å; C120-R141 WeakPolarHBondContact O-CA 3.39Å; C120-V142 PolarHBondContact O-N 3.44Å; C120-T204 HydrophobicContact CB-CG2 3.68Å
121	C	91.6	Very high	81.5	Confident	27 Å²	27	42.9 Å²	42.9	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	169.3	157.5	-64.6	0	0	0	0	109.6	P111 V112 V138 T139	P111-C121 CarbonylContact C-O 3.54Å; P111-C121 WeakPolarHBondContact CA-O 3.33Å; V112-C121 HydrophobicContact CG2-CB 4.14Å; V112-C121 PolarHBondContact N-O 2.94Å; V112-C121 PolarHBondContact O-N 2.84Å; V112-C121 VanDerWaalsContact O-O 3.12Å; C121-V138 HydrophobicContact CB-CG1 4.13Å; C121-T139 WeakPolarHBondContact CB-O 3.38Å; C121-T139 PolarHBondContact SG-O 3.32Å
122	L	91.1	Very high	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	141.3	166	-61.7	-178.9	0	0	0	110.4	L106 W109 V138 T139 V142 V152 L162 F195	L106-L122 HydrophobicContact CD2-CB 3.95Å; L106-L122 HydrophobicContact CD2-CD1 3.9Å; W109-L122 HydrophobicContact CE3-CD2 4.2Å; L122-V138 CarbonylContact O-C 3.53Å; L122-V138 WeakPolarHBondContact O-CA 3.28Å; L122-T139 HydrophobicContact CB-CG2 3.97Å; L122-T139 PolarHBondContact N-OG1 3.15Å; L122-T139 PolarHBondContact O-N 2.93Å; L122-T139 PolarHBondContact O-OG1 3.03Å; L122-V142 HydrophobicContact CD2-CG2 4.35Å; L122-V142 HydrophobicContact CG-CG2 3.98Å; L122-V152 HydrophobicContact CD1-CB 3.95Å; L122-V152 HydrophobicContact CD1-CG1 3.8Å; L122-V152 HydrophobicContact CD1-CG2 4.11Å; L122-L162 HydrophobicContact CD1-CD2 3.77Å; L122-F195 HydrophobicContact CD2-CD2 3.95Å; L122-F195 HydrophobicContact CD2-CE2 3.7Å
123	A	85	Confident	79.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	148.7	161	0	0	0	0	0	109.4	W109 C110 V112 F136 V137 V138 L174	W109-A123 CarbonylContact C-O 3.53Å; W109-A123 WeakPolarHBondContact CA-O 3.34Å; C110-A123 PolarHBondContact N-O 2.77Å; C110-A123 PolarHBondContact O-N 2.9Å; V112-A123 HydrophobicContact CB-CB 4.43Å; V112-A123 HydrophobicContact CG1-CB 3.72Å; V112-A123 HydrophobicContact CG2-CB 3.82Å; A123-F136 HydrophobicContact CB-CE2 4.21Å; A123-F136 HydrophobicContact CB-CZ 3.84Å; A123-V137 WeakPolarHBondContact CA-O 3.32Å; A123-V138 HydrophobicContact CB-CG2 4.32Å; A123-L174 HydrophobicContact CB-CD1 3.45Å; A123-L174 VanDerWaalsContact CB-CD1 3.45Å
124	G	81.6	Confident	78.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-174.5	175.8	0	0	0	0	0	114	F136 V137	G124-F136 CarbonylContact O-C 3.53Å; G124-F136 WeakPolarHBondContact O-CA 3.35Å; G124-F136 WeakPolarHBondContact O-CD2 3.06Å; G124-V137 PolarHBondContact N-O 3.44Å; G124-V137 PolarHBondContact O-N 2.93Å
125	I	78.3	Confident	78.4	Confident	66 Å²	66	58.2 Å²	58.2	34%	0.338	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	101.8	178.4	-60.5	175	0	0	0	108.2	Y107 C134 R135	Y107-I125 PolarHBondContact N-O 3.41Å; Y107-I125 PolarHBondContact O-N 3.46Å; I125-C134 HydrophobicContact CG2-CB 3.48Å; I125-C134 VanDerWaalsContact CG2-CB 3.48Å; I125-R135 CarbonylContact C-O 3.52Å; I125-R135 WeakPolarHBondContact CA-O 3.45Å
126	E	84.6	Confident	78.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.6	176	-172	-168.3	-116.6	0	0	110.6	E105 L106 K128 C134 R135 V137 Y160	E105-E126 CarbonylContact O-C 3.59Å; E105-E126 WeakPolarHBondContact O-CA 3.48Å; L106-E126 HydrophobicContact CD1-CB 4.21Å; E126-K128 HydrophobicContact CG-CG 4.38Å; E126-K128 WeakPolarHBondContact OE1-CE 3.38Å; E126-K128 IonicContact OE1-NZ 3.13Å; E126-K128 WeakPolarHBondContact OE2-CE 3.38Å; E126-K128 IonicContact OE2-NZ 3.5Å; E126-C134 CarbonylContact O-C 3.14Å; E126-C134 WeakPolarHBondContact O-CA 3.41Å; E126-C134 WeakPolarHBondContact O-CB 3.42Å; E126-R135 HydrophobicContact CB-CG 4.35Å; E126-R135 PolarHBondContact N-O 2.89Å; E126-R135 PolarHBondContact O-N 2.91Å; E126-R135 IonicContact OE1-NH2 2.62Å; E126-R135 IonicContact OE2-CZ 3Å; E126-R135 IonicContact OE2-NE 2.73Å; E126-R135 PolarHBondContact OE2-NE 3.36Å; E126-R135 IonicContact OE2-NH2 2.77Å; E126-R135 PolarHBondContact OE2-NH2 3.44Å; E126-V137 HydrophobicContact CB-CB 4.41Å; E126-V137 HydrophobicContact CB-CG1 3.68Å; E126-V137 HydrophobicContact CB-CG2 3.79Å; E126-V137 HydrophobicContact CG-CG1 4.46Å; E126-Y160 HydrophobicContact CG-CE1 4.1Å; E126-Y160 WeakPolarHBondContact OE1-CE1 2.95Å; E126-Y160 PolarHBondContact OE1-OH 2.82Å
127	R	79.2	Confident	78.4	Confident	98 Å²	98	56 Å²	56	37%	0.37	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.7	166.3	-173.3	-171.5	-173.9	-174.4	4.2	108.8	E105 Y107	E105-R127 HydrophobicContact CB-CB 4.49Å; E105-R127 PolarHBondContact N-O 2.87Å; E105-R127 PolarHBondContact O-N 3.32Å; Y107-R127 HydrophobicContact CD2-CB 4.32Å; Y107-R127 HydrophobicContact CE2-CB 3.82Å
128	K	81	Confident	78.8	Confident	51 Å²	51	56 Å²	56	22%	0.222	29%	0.286	C	S	.	.			trans	-84	144.2	176.3	-55.2	-154.8	171.1	-163.6	0	110.8	V102 E126 N130 Q131	V102-K128 HydrophobicContact CG1-CD 4.36Å; E126-K128 HydrophobicContact CG-CG 4.38Å; E126-K128 WeakPolarHBondContact OE1-CE 3.38Å; E126-K128 IonicContact OE1-NZ 3.13Å; E126-K128 WeakPolarHBondContact OE2-CE 3.38Å; E126-K128 IonicContact OE2-NZ 3.5Å; K128-N130 PolarHBondContact O-N 3.24Å; K128-Q131 HydrophobicContact CB-CB 4.16Å; K128-Q131 HydrophobicContact CB-CG 4.1Å; K128-Q131 PolarHBondContact O-N 2.87Å
129	P	65.9	Low	79.1	Confident	68 Å²	68	56.4 Å²	56.4	44%	0.442	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	131.4	166.4	25	-33.2	0	0	0	108.8	V102 S103	V102-P129 HydrophobicContact CG1-CG 4.09Å; S103-P129 WeakPolarHBondContact O-CD 3.4Å; S103-P129 WeakPolarHBondContact O-CG 3.46Å
130	N	66	Low	79.3	Confident	173 Å²	173	59.3 Å²	59.3	93%	0.925	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	8	-173.4	-41.8	-49.8	0	0	0	116.8	K128	K128-N130 PolarHBondContact O-N 3.24Å
131	Q	67.3	Low	79.3	Confident	89 Å²	89	63.1 Å²	63.1	42%	0.416	32%	0.318	S	S	.	.			trans	-108.6	129.6	167.7	-68.7	-172.2	-25.4	0	0	111.7	K128	K128-Q131 HydrophobicContact CB-CB 4.16Å; K128-Q131 HydrophobicContact CB-CG 4.1Å; K128-Q131 PolarHBondContact O-N 2.87Å
132	M	62.2	Low	79.3	Confident	182 Å²	182	62 Å²	62	90%	0.897	31%	0.31	S	S	*	.	S	Bend	trans	-80.5	-29	174.7	-156.1	76.7	168.8	0	0	111.5
133	S	68.3	Low	79.2	Confident	63 Å²	63	64.4 Å²	64.4	44%	0.441	33%	0.327	S	S	.	.			trans	-77.4	125.9	172	51.7	0	0	0	0	110.6
134	C	72.2	Confident	79.2	Confident	36 Å²	36	66.9 Å²	66.9	24%	0.243	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	175.4	158.1	-51.4	0	0	0	0	109.8	L65 I125 E126	L65-C134 HydrophobicContact CD1-CB 3.93Å; L65-C134 WeakPolarHBondContact CD1-O 3.15Å; L65-C134 WeakPolarHBondContact CD2-O 3.29Å; I125-C134 HydrophobicContact CG2-CB 3.48Å; I125-C134 VanDerWaalsContact CG2-CB 3.48Å; E126-C134 CarbonylContact O-C 3.14Å; E126-C134 WeakPolarHBondContact O-CA 3.41Å; E126-C134 WeakPolarHBondContact O-CB 3.42Å
135	R	76.8	Confident	79.5	Confident	121 Å²	121	68 Å²	68	46%	0.457	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	149.9	164.3	54.7	176	-175.6	154.4	14.4	110.4	I125 E126 V137	I125-R135 CarbonylContact C-O 3.52Å; I125-R135 WeakPolarHBondContact CA-O 3.45Å; E126-R135 HydrophobicContact CB-CG 4.35Å; E126-R135 PolarHBondContact N-O 2.89Å; E126-R135 PolarHBondContact O-N 2.91Å; E126-R135 IonicContact OE1-NH2 2.62Å; E126-R135 IonicContact OE2-CZ 3Å; E126-R135 IonicContact OE2-NE 2.73Å; E126-R135 PolarHBondContact OE2-NE 3.36Å; E126-R135 IonicContact OE2-NH2 2.77Å; E126-R135 PolarHBondContact OE2-NH2 3.44Å; R135-V137 HydrophobicContact CG-CG1 3.9Å
136	F	77.4	Confident	79.9	Confident	79 Å²	79	66.3 Å²	66.3	35%	0.346	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.3	166.6	-175.8	-99.5	0	0	0	108.9	F14 A123 G124 V138 T170 L174	F14-F136 HydrophobicContact CE2-CD1 4.17Å; F14-F136 AromaticContact CE2-CE1 3.8Å; F14-F136 HydrophobicContact CE2-CE1 3.8Å; F14-F136 HydrophobicContact CE2-CE2 4.26Å; F14-F136 AromaticContact CE2-CZ 3.85Å; F14-F136 HydrophobicContact CE2-CZ 3.85Å; F14-F136 HydrophobicContact CZ-CE1 4.39Å; F14-F136 HydrophobicContact CZ-CE2 4.14Å; F14-F136 AromaticContact CZ-CZ 3.96Å; F14-F136 HydrophobicContact CZ-CZ 3.96Å; A123-F136 HydrophobicContact CB-CE2 4.21Å; A123-F136 HydrophobicContact CB-CZ 3.84Å; G124-F136 CarbonylContact O-C 3.53Å; G124-F136 WeakPolarHBondContact O-CA 3.35Å; G124-F136 WeakPolarHBondContact O-CD2 3.06Å; F136-V138 HydrophobicContact CE1-CG2 3.92Å; F136-V138 HydrophobicContact CZ-CG2 4.33Å; F136-T170 HydrophobicContact CE2-CG2 4.05Å; F136-L174 HydrophobicContact CE2-CD1 4.39Å; F136-L174 HydrophobicContact CZ-CD1 3.9Å; F136-L174 HydrophobicContact CZ-CD2 4.02Å; F136-L174 HydrophobicContact CZ-CG 4.46Å
137	V	81.5	Confident	79.6	Confident	16 Å²	16	71.9 Å²	71.9	10%	0.097	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.6	174.9	-58.2	0	0	0	0	109.9	L106 A123 G124 E126 R135 T139	L106-V137 HydrophobicContact CD1-CG2 3.67Å; A123-V137 WeakPolarHBondContact CA-O 3.32Å; G124-V137 PolarHBondContact N-O 3.44Å; G124-V137 PolarHBondContact O-N 2.93Å; E126-V137 HydrophobicContact CB-CB 4.41Å; E126-V137 HydrophobicContact CB-CG1 3.68Å; E126-V137 HydrophobicContact CB-CG2 3.79Å; E126-V137 HydrophobicContact CG-CG1 4.46Å; R135-V137 HydrophobicContact CG-CG1 3.9Å; V137-T139 HydrophobicContact CG2-CG2 4.39Å
138	V	87	Confident	79.5	Confident	84 Å²	84	70.2 Å²	70.2	51%	0.509	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	154	-177.8	0	0	0	0	105.6	V112 C121 L122 A123 F136	V112-V138 HydrophobicContact CG2-CG1 4.01Å; C121-V138 HydrophobicContact CB-CG1 4.13Å; L122-V138 CarbonylContact O-C 3.53Å; L122-V138 WeakPolarHBondContact O-CA 3.28Å; A123-V138 HydrophobicContact CB-CG2 4.32Å; F136-V138 HydrophobicContact CE1-CG2 3.92Å; F136-V138 HydrophobicContact CZ-CG2 4.33Å
139	T	88.9	Confident	79.7	Confident	8 Å²	8	67.9 Å²	67.9	5%	0.049	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	169.5	-178.3	71.6	0	0	0	0	111.1	C121 L122 V137 Y160	C121-T139 WeakPolarHBondContact CB-O 3.38Å; C121-T139 PolarHBondContact SG-O 3.32Å; L122-T139 HydrophobicContact CB-CG2 3.97Å; L122-T139 PolarHBondContact N-OG1 3.15Å; L122-T139 PolarHBondContact O-N 2.93Å; L122-T139 PolarHBondContact O-OG1 3.03Å; V137-T139 HydrophobicContact CG2-CG2 4.39Å; T139-Y160 HydrophobicContact CG2-CD2 3.99Å; T139-Y160 HydrophobicContact CG2-CE1 4.29Å; T139-Y160 HydrophobicContact CG2-CE2 3.56Å
140	N	89.2	Confident	80.7	Confident	82 Å²	82	67.7 Å²	67.7	44%	0.439	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	173.1	159.2	-75.2	-49.4	0	0	0	110.8	T154 D156	N140-T154 VanDerWaalsContact O-CG2 3.29Å; N140-T154 WeakPolarHBondContact O-CG2 3.03Å; N140-D156 PolarHBondContact ND2-OD2 3.3Å
141	R	90.9	Very high	81.9	Confident	82 Å²	82	61.1 Å²	61.1	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	145.4	-178.9	-65.6	178.1	173.3	-125.5	-1.1	111.1	Q115 D119 C120 S143 T154 E155	Q115-R141 VanDerWaalsContact NE2-CZ 3.28Å; D119-R141 IonicContact OD2-CZ 3.96Å; D119-R141 IonicContact OD2-NH1 3.96Å; D119-R141 PolarHBondContact OD2-NH1 3.42Å; C120-R141 WeakPolarHBondContact O-CA 3.39Å; R141-S143 PolarHBondContact O-N 2.96Å; R141-T154 CarbonylContact O-C 3.29Å; R141-T154 WeakPolarHBondContact O-CA 3.47Å; R141-T154 WeakPolarHBondContact O-CB 3.4Å; R141-E155 HydrophobicContact CB-CG 3.99Å; R141-E155 WeakPolarHBondContact CD-OE1 3.35Å; R141-E155 PolarHBondContact O-N 3.43Å
142	V	90.5	Very high	83	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	115.2	174.4	174.2	0	0	0	0	109.6	C120 L122 V145 V152 W200	C120-V142 PolarHBondContact O-N 3.44Å; L122-V142 HydrophobicContact CD2-CG2 4.35Å; L122-V142 HydrophobicContact CG-CG2 3.98Å; V142-V145 HydrophobicContact CG1-CG2 3.82Å; V142-V152 HydrophobicContact CB-CG1 4.21Å; V142-V152 HydrophobicContact CG1-CG1 3.66Å; V142-V152 HydrophobicContact CG2-CG1 3.72Å; V142-W200 HydrophobicContact CB-CH2 3.75Å; V142-W200 HydrophobicContact CB-CZ2 4.28Å; V142-W200 HydrophobicContact CB-CZ3 4.18Å; V142-W200 HydrophobicContact CG1-CH2 3.62Å; V142-W200 HydrophobicContact CG1-CZ2 3.69Å; V142-W200 HydrophobicContact CG1-CZ3 4.1Å
143	S	88.5	Confident	84.3	Confident	51 Å²	51	49.5 Å²	49.5	36%	0.357	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-43.4	177.9	58.8	0	0	0	0	111.3	R141 C153 T154	R141-S143 PolarHBondContact O-N 2.96Å; S143-C153 PolarHBondContact N-O 2.82Å; S143-C153 VanDerWaalsContact OG-C 3.23Å; S143-C153 PolarHBondContact OG-O 2.84Å; S143-C153 VanDerWaalsContact OG-O 3.05Å; S143-T154 VanDerWaalsContact OG-C 3.24Å; S143-T154 PolarHBondContact OG-N 2.84Å; S143-T154 PolarHBondContact OG-O 2.98Å; S143-T154 VanDerWaalsContact OG-O 3.09Å
144	C	86.4	Confident	85.4	Confident	52 Å²	52	46.5 Å²	46.5	35%	0.351	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162	171.2	68.3	0	0	0	0	113.6	C153	C144-C153 PolarHBondContact N-O 3.14Å; C144-C153 PolarHBondContact O-N 2.83Å; C144-C153 VanDerWaalsContact SG-CB 3.56Å
145	V	87.8	Confident	86.2	Confident	24 Å²	24	50.3 Å²	50.3	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.7	178.2	-178.7	0	0	0	0	107.8	V142 I151 V152 F195 W200	V142-V145 HydrophobicContact CG1-CG2 3.82Å; V145-I151 WeakPolarHBondContact CA-O 3.29Å; V145-V152 HydrophobicContact CG1-CG2 4.46Å; V145-V152 HydrophobicContact CG2-CG2 4.28Å; V145-F195 HydrophobicContact CG1-CB 3.86Å; V145-F195 HydrophobicContact CG2-CB 4.49Å; V145-F195 HydrophobicContact CG2-CD1 4.3Å; V145-F195 HydrophobicContact CG2-CG 4.34Å; V145-W200 HydrophobicContact CB-CG 4.48Å; V145-W200 HydrophobicContact CG2-CB 4.35Å; V145-W200 HydrophobicContact CG2-CD2 4Å; V145-W200 HydrophobicContact CG2-CG 3.88Å
146	S	85.8	Confident	86.6	Confident	30 Å²	30	47.3 Å²	47.3	21%	0.21	25%	0.25	C	C	.	.			trans	-72	159.7	175.2	55.5	0	0	0	0	113.2	N148 G149 Q150 I151 A197	S146-N148 WeakPolarHBondContact CB-OD1 3.36Å; S146-N148 PolarHBondContact O-N 3.19Å; S146-N148 PolarHBondContact OG-OD1 3.3Å; S146-G149 PolarHBondContact O-N 3.45Å; S146-Q150 PolarHBondContact OG-N 3Å; S146-I151 PolarHBondContact N-O 3.16Å; S146-I151 WeakPolarHBondContact OG-CA 3.43Å; S146-I151 WeakPolarHBondContact OG-CB 3.38Å; S146-I151 PolarHBondContact OG-N 2.57Å; S146-I151 PolarHBondContact OG-O 3.37Å; S146-A197 WeakPolarHBondContact O-CB 3.48Å
147	E	77.8	Confident	87	Confident	119 Å²	119	47.5 Å²	47.5	56%	0.556	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21	178.3	-65.9	178.4	122.4	0	0	114.8	A197	E147-A197 VanDerWaalsContact C-CB 3.43Å; E147-A197 WeakPolarHBondContact O-CB 3.34Å
148	N	78.9	Confident	87.3	Confident	63 Å²	63	48.5 Å²	48.5	34%	0.337	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.9	174.6	71.1	-11.7	0	0	0	113.7	S146 Q150	S146-N148 WeakPolarHBondContact CB-OD1 3.36Å; S146-N148 PolarHBondContact O-N 3.19Å; S146-N148 PolarHBondContact OG-OD1 3.3Å; N148-Q150 PolarHBondContact O-N 3.08Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; N148-Q150 PolarHBondContact OD1-N 3.29Å; N148-Q150 VanDerWaalsContact OD1-N 3.15Å
149	G	85.1	Confident	87.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	73.9	-7.4	-179.3	0	0	0	0	0	116.1	S146 G194 F195	S146-G149 PolarHBondContact O-N 3.45Å; G149-G194 WeakPolarHBondContact O-CA 3.38Å; G149-F195 WeakPolarHBondContact CA-O 3.18Å; G149-F195 PolarHBondContact O-N 3.3Å
150	Q	87	Confident	87.5	Confident	64 Å²	64	46.3 Å²	46.3	30%	0.299	24%	0.243	S	C	.	.			trans	-94.8	-7.6	-167.8	-69.5	174.5	-0.8	0	0	114.1	S146 N148 Y161 L162 N193	S146-Q150 PolarHBondContact OG-N 3Å; N148-Q150 PolarHBondContact O-N 3.08Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; N148-Q150 PolarHBondContact OD1-N 3.29Å; N148-Q150 VanDerWaalsContact OD1-N 3.15Å; Q150-Y161 CarbonylContact O-C 3.58Å; Q150-Y161 WeakPolarHBondContact O-CA 3.31Å; Q150-L162 PolarHBondContact O-N 2.8Å; Q150-N193 WeakPolarHBondContact CG-O 3.5Å; Q150-N193 PolarHBondContact NE2-O 2.85Å; Q150-N193 VanDerWaalsContact NE2-O 3.12Å
151	I	89.7	Confident	87.5	Confident	35 Å²	35	46.6 Å²	46.6	18%	0.179	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.7	177.8	-44.1	178	0	0	0	107.4	V145 S146 I159 Y160 Y161	V145-I151 WeakPolarHBondContact CA-O 3.29Å; S146-I151 PolarHBondContact N-O 3.16Å; S146-I151 WeakPolarHBondContact OG-CA 3.43Å; S146-I151 WeakPolarHBondContact OG-CB 3.38Å; S146-I151 PolarHBondContact OG-N 2.57Å; S146-I151 PolarHBondContact OG-O 3.37Å; I151-I159 HydrophobicContact CG2-CG2 3.46Å; I151-I159 VanDerWaalsContact CG2-CG2 3.46Å; I151-Y160 WeakPolarHBondContact CA-O 3.47Å; I151-Y161 HydrophobicContact CD1-CD1 4.34Å; I151-Y161 HydrophobicContact CD1-CE1 3.77Å; I151-Y161 HydrophobicContact CG1-CD1 3.87Å; I151-Y161 HydrophobicContact CG1-CE1 3.8Å; I151-Y161 HydrophobicContact CG2-CD1 4.5Å; I151-Y161 HydrophobicContact CG2-CE1 4.32Å
152	V	90.9	Very high	87.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.6	176.6	178.8	0	0	0	0	108.8	L122 V142 V145 Y160 L162 F195	L122-V152 HydrophobicContact CD1-CB 3.95Å; L122-V152 HydrophobicContact CD1-CG1 3.8Å; L122-V152 HydrophobicContact CD1-CG2 4.11Å; V142-V152 HydrophobicContact CB-CG1 4.21Å; V142-V152 HydrophobicContact CG1-CG1 3.66Å; V142-V152 HydrophobicContact CG2-CG1 3.72Å; V145-V152 HydrophobicContact CG1-CG2 4.46Å; V145-V152 HydrophobicContact CG2-CG2 4.28Å; V152-Y160 PolarHBondContact N-O 2.9Å; V152-Y160 PolarHBondContact O-N 2.92Å; V152-L162 HydrophobicContact CG2-CD1 3.71Å; V152-L162 HydrophobicContact CG2-CD2 4.23Å; V152-L162 HydrophobicContact CG2-CG 3.99Å; V152-F195 HydrophobicContact CG2-CB 4.45Å
153	C	90.7	Very high	87.2	Confident	27 Å²	27	47.7 Å²	47.7	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.4	170.4	-56	0	0	0	0	109.1	S143 C144 N158	S143-C153 PolarHBondContact N-O 2.82Å; S143-C153 VanDerWaalsContact OG-C 3.23Å; S143-C153 PolarHBondContact OG-O 2.84Å; S143-C153 VanDerWaalsContact OG-O 3.05Å; C144-C153 PolarHBondContact N-O 3.14Å; C144-C153 PolarHBondContact O-N 2.83Å; C144-C153 VanDerWaalsContact SG-CB 3.56Å; C153-N158 WeakPolarHBondContact CA-O 3.34Å
154	T	91.2	Very high	86.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	168	177.3	45.6	0	0	0	0	111.6	N140 R141 S143 D156 N157 N158 Y160	N140-T154 VanDerWaalsContact O-CG2 3.29Å; N140-T154 WeakPolarHBondContact O-CG2 3.03Å; R141-T154 CarbonylContact O-C 3.29Å; R141-T154 WeakPolarHBondContact O-CA 3.47Å; R141-T154 WeakPolarHBondContact O-CB 3.4Å; S143-T154 VanDerWaalsContact OG-C 3.24Å; S143-T154 PolarHBondContact OG-N 2.84Å; S143-T154 PolarHBondContact OG-O 2.98Å; S143-T154 VanDerWaalsContact OG-O 3.09Å; T154-D156 WeakPolarHBondContact CB-OD1 3.14Å; T154-D156 PolarHBondContact O-N 3.29Å; T154-D156 VanDerWaalsContact O-N 3.15Å; T154-D156 PolarHBondContact OG1-OD1 3.11Å; T154-N157 WeakPolarHBondContact O-CA 3.36Å; T154-N157 PolarHBondContact O-N 3.23Å; T154-N158 PolarHBondContact N-O 3.32Å; T154-N158 VanDerWaalsContact N-O 3.11Å; T154-N158 PolarHBondContact OG1-O 3.18Å; T154-Y160 HydrophobicContact CG2-CD2 4.31Å; T154-Y160 HydrophobicContact CG2-CE2 4.35Å
155	E	88.3	Confident	86.3	Confident	117 Å²	117	46.2 Å²	46.2	55%	0.547	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.1	-177	-72.5	178.9	151.7	0	0	114.6	R141 N157	R141-E155 HydrophobicContact CB-CG 3.99Å; R141-E155 WeakPolarHBondContact CD-OE1 3.35Å; R141-E155 PolarHBondContact O-N 3.43Å; E155-N157 VanDerWaalsContact C-N 3.25Å; E155-N157 PolarHBondContact O-N 3.38Å
156	D	86.2	Confident	86	Confident	57 Å²	57	46.2 Å²	46.2	31%	0.305	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	8.3	175.4	59.6	5.3	0	0	0	113.9	N140 T154 N158	N140-D156 PolarHBondContact ND2-OD2 3.3Å; T154-D156 WeakPolarHBondContact CB-OD1 3.14Å; T154-D156 PolarHBondContact O-N 3.29Å; T154-D156 VanDerWaalsContact O-N 3.15Å; T154-D156 PolarHBondContact OG1-OD1 3.11Å; D156-N158 PolarHBondContact O-N 2.91Å; D156-N158 WeakPolarHBondContact OD1-CB 3.4Å; D156-N158 PolarHBondContact OD1-N 2.89Å; D156-N158 VanDerWaalsContact OD1-N 3.08Å; D156-N158 PolarHBondContact OD1-ND2 2.84Å; D156-N158 PolarHBondContact OD2-ND2 3.13Å
157	N	84.2	Confident	85.9	Confident	84 Å²	84	45.5 Å²	45.5	45%	0.449	24%	0.238	S	C	.	.			trans	61	17.9	-175	-55.8	-59.9	0	0	0	115.4	I98 T154 E155	I98-N157 HydrophobicContact CG2-CB 4.14Å; T154-N157 WeakPolarHBondContact O-CA 3.36Å; T154-N157 PolarHBondContact O-N 3.23Å; E155-N157 VanDerWaalsContact C-N 3.25Å; E155-N157 PolarHBondContact O-N 3.38Å
158	N	87.7	Confident	86	Confident	37 Å²	37	40.7 Å²	40.7	20%	0.198	21%	0.214	C	C	.	.			trans	-69.2	144.3	166.4	-71.6	-48	0	0	0	110.3	S101 C153 T154 D156 Y160	S101-N158 PolarHBondContact O-OD1 3.21Å; C153-N158 WeakPolarHBondContact CA-O 3.34Å; T154-N158 PolarHBondContact N-O 3.32Å; T154-N158 VanDerWaalsContact N-O 3.11Å; T154-N158 PolarHBondContact OG1-O 3.18Å; D156-N158 PolarHBondContact O-N 2.91Å; D156-N158 WeakPolarHBondContact OD1-CB 3.4Å; D156-N158 PolarHBondContact OD1-N 2.89Å; D156-N158 VanDerWaalsContact OD1-N 3.08Å; D156-N158 PolarHBondContact OD1-ND2 2.84Å; D156-N158 PolarHBondContact OD2-ND2 3.13Å; N158-Y160 HydrophobicContact CB-CE2 3.77Å
159	I	90.3	Very high	85.6	Confident	34 Å²	34	42.8 Å²	42.8	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	-179.3	-56.7	-170.5	0	0	0	109.5	C100 S103 S104 I151	C100-I159 HydrophobicContact CB-CD1 4.36Å; S103-I159 CarbonylContact C-O 3.6Å; S103-I159 VanDerWaalsContact CA-O 3.3Å; S103-I159 WeakPolarHBondContact CA-O 3.38Å; S104-I159 PolarHBondContact N-O 3.48Å; I151-I159 HydrophobicContact CG2-CG2 3.46Å; I151-I159 VanDerWaalsContact CG2-CG2 3.46Å
160	Y	90.4	Very high	85	Confident	12 Å²	12	43.6 Å²	43.6	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.1	-179.4	-70	-77.4	0	0	0	111.4	S104 L106 E126 T139 I151 V152 T154 N158	S104-Y160 CarbonylContact O-C 3.54Å; S104-Y160 WeakPolarHBondContact O-CA 3.27Å; L106-Y160 HydrophobicContact CB-CD1 4.17Å; L106-Y160 HydrophobicContact CD1-CD1 4.27Å; E126-Y160 HydrophobicContact CG-CE1 4.1Å; E126-Y160 WeakPolarHBondContact OE1-CE1 2.95Å; E126-Y160 PolarHBondContact OE1-OH 2.82Å; T139-Y160 HydrophobicContact CG2-CD2 3.99Å; T139-Y160 HydrophobicContact CG2-CE1 4.29Å; T139-Y160 HydrophobicContact CG2-CE2 3.56Å; I151-Y160 WeakPolarHBondContact CA-O 3.47Å; V152-Y160 PolarHBondContact N-O 2.9Å; V152-Y160 PolarHBondContact O-N 2.92Å; T154-Y160 HydrophobicContact CG2-CD2 4.31Å; T154-Y160 HydrophobicContact CG2-CE2 4.35Å; N158-Y160 HydrophobicContact CB-CE2 3.77Å
161	Y	90.2	Very high	84.6	Confident	87 Å²	87	40.5 Å²	40.5	34%	0.341	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.4	168.5	-68.6	-69.6	0	0	0	109.5	S104 E105 L106 Q150 I151 R163	S104-Y161 PolarHBondContact O-N 2.77Å; E105-Y161 WeakPolarHBondContact CA-O 3.41Å; L106-Y161 PolarHBondContact N-O 3.22Å; Q150-Y161 CarbonylContact O-C 3.58Å; Q150-Y161 WeakPolarHBondContact O-CA 3.31Å; I151-Y161 HydrophobicContact CD1-CD1 4.34Å; I151-Y161 HydrophobicContact CD1-CE1 3.77Å; I151-Y161 HydrophobicContact CG1-CD1 3.87Å; I151-Y161 HydrophobicContact CG1-CE1 3.8Å; I151-Y161 HydrophobicContact CG2-CD1 4.5Å; I151-Y161 HydrophobicContact CG2-CE1 4.32Å; Y161-R163 PolarHBondContact O-N 2.89Å
162	L	90	Very high	83.9	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.1	177.8	-54.6	-167.7	0	0	0	110.1	L106 W109 L122 Q150 V152 F195	L106-L162 HydrophobicContact CB-CD2 4.13Å; L106-L162 HydrophobicContact CD2-CD2 3.97Å; W109-L162 HydrophobicContact CD2-CD1 3.94Å; W109-L162 HydrophobicContact CD2-CD2 4.21Å; W109-L162 HydrophobicContact CD2-CG 4.47Å; W109-L162 HydrophobicContact CE3-CD1 4.06Å; W109-L162 HydrophobicContact CG-CD2 4.17Å; W109-L162 HydrophobicContact CH2-CD1 3.9Å; W109-L162 HydrophobicContact CZ2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.03Å; L122-L162 HydrophobicContact CD1-CD2 3.77Å; Q150-L162 PolarHBondContact O-N 2.8Å; V152-L162 HydrophobicContact CG2-CD1 3.71Å; V152-L162 HydrophobicContact CG2-CD2 4.23Å; V152-L162 HydrophobicContact CG2-CG 3.99Å; L162-F195 HydrophobicContact CD1-CB 4.04Å
163	R	83.5	Confident	82.8	Confident	101 Å²	101	41.4 Å²	41.4	38%	0.381	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.9	-179.6	-66.6	-56.2	-163.2	-167.7	0.9	110.2	E105 L106 Y107 Y161	E105-R163 HydrophobicContact CB-CG 4.16Å; E105-R163 IonicContact OE1-CZ 3.78Å; E105-R163 IonicContact OE1-NE 3.78Å; E105-R163 PolarHBondContact OE1-NE 2.8Å; E105-R163 IonicContact OE1-NH2 2.74Å; E105-R163 PolarHBondContact OE1-NH2 3.02Å; L106-R163 PolarHBondContact O-N 3.28Å; Y107-R163 HydrophobicContact CD1-CB 3.41Å; Y107-R163 VanDerWaalsContact CD1-CB 3.41Å; Y107-R163 HydrophobicContact CD1-CG 4.05Å; Y107-R163 HydrophobicContact CE1-CB 3.58Å; Y107-R163 HydrophobicContact CE1-CG 3.76Å; Y107-R163 HydrophobicContact CG-CB 4.01Å; Y161-R163 PolarHBondContact O-N 2.89Å
164	G	76.8	Confident	81.8	Confident	47 Å²	47	41.1 Å²	41.1	49%	0.485	23%	0.227	S	C	.	.	S	Bend	trans	77.6	177.9	-171.3	0	0	0	0	0	112.1	W109	W109-G164 PolarHBondContact NE1-O 2.88Å
165	G	79.9	Confident	80.8	Confident	25 Å²	25	43.2 Å²	43.2	26%	0.258	24%	0.236	S	C	.	.	S	Bend	trans	-77.1	179.6	172.7	0	0	0	0	0	113.1	W109 F191 S192	W109-G165 PolarHBondContact NE1-O 2.79Å; G165-F191 CarbonylContact C-O 3.58Å; G165-F191 WeakPolarHBondContact CA-O 3.47Å; G165-S192 WeakPolarHBondContact CA-O 3.35Å
166	F	81.7	Confident	79.6	Confident	25 Å²	25	41.3 Å²	41.3	11%	0.11	23%	0.234	C	C	.	.			trans	-52.9	140.4	173.4	158.8	-80.5	0	0	0	113.2	W109 C110 P111 W168 F171 I187 F191	W109-F166 HydrophobicContact CH2-CB 4.21Å; W109-F166 HydrophobicContact CZ2-CB 4.43Å; W109-F166 HydrophobicContact CZ3-CB 4.5Å; W109-F166 CarbonylContact O-C 3.58Å; W109-F166 WeakPolarHBondContact O-CA 3.38Å; C110-F166 HydrophobicContact CB-CD2 3.8Å; C110-F166 HydrophobicContact CB-CE2 3.64Å; P111-F166 HydrophobicContact CG-CD2 4.49Å; F166-W168 VanDerWaalsContact CE1-CA 3.41Å; F166-W168 HydrophobicContact CE1-CB 3.73Å; F166-W168 HydrophobicContact CE1-CD2 4.29Å; F166-W168 AromaticContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CG 4.41Å; F166-W168 VanDerWaalsContact CE1-N 3.3Å; F166-W168 HydrophobicContact CZ-CB 4.43Å; F166-W168 HydrophobicContact CZ-CD2 4.46Å; F166-W168 AromaticContact CZ-CE3 3.56Å; F166-W168 HydrophobicContact CZ-CE3 3.56Å; F166-W168 HydrophobicContact CZ-CZ3 4.27Å; F166-F171 HydrophobicContact CE2-CB 3.94Å; F166-F171 AromaticContact CE2-CD2 3.87Å; F166-F171 HydrophobicContact CE2-CD2 3.87Å; F166-F171 HydrophobicContact CE2-CE2 4.44Å; F166-F171 AromaticContact CE2-CG 3.9Å; F166-F171 HydrophobicContact CE2-CG 3.9Å; F166-F171 HydrophobicContact CZ-CB 3.63Å; F166-F171 AromaticContact CZ-CD1 3.98Å; F166-F171 HydrophobicContact CZ-CD1 3.98Å; F166-F171 HydrophobicContact CZ-CD2 4.11Å; F166-F171 AromaticContact CZ-CG 3.67Å; F166-F171 HydrophobicContact CZ-CG 3.67Å; F166-I187 HydrophobicContact CD1-CG2 4.44Å; F166-I187 HydrophobicContact CE1-CG2 4.25Å; F166-I187 HydrophobicContact CZ-CG2 4.43Å; F166-F191 HydrophobicContact CB-CB 3.33Å; F166-F191 HydrophobicContact CB-CG 4.11Å; F166-F191 HydrophobicContact CG-CB 4.17Å; F166-F191 PolarHBondContact N-O 2.82Å
167	S	83.4	Confident	78.5	Confident	14 Å²	14	42.6 Å²	42.6	10%	0.098	24%	0.24	C	C	.	.			trans	-103.8	97.3	-178.8	-174.1	0	0	0	0	112.1	S108 W109 T169 T170 F171	S108-S167 VanDerWaalsContact C-CB 3.42Å; S108-S167 WeakPolarHBondContact OG-CB 3.37Å; S108-S167 PolarHBondContact OG-OG 2.72Å; W109-S167 PolarHBondContact O-N 3.4Å; S167-T169 PolarHBondContact O-N 3.15Å; S167-T169 PolarHBondContact OG-OG1 3.14Å; S167-T170 PolarHBondContact O-N 3.32Å; S167-T170 PolarHBondContact OG-N 2.95Å; S167-T170 PolarHBondContact OG-OG1 2.79Å; S167-F171 WeakPolarHBondContact O-CB 3.43Å; S167-F171 PolarHBondContact O-N 2.74Å
168	W	79.6	Confident	77.5	Confident	19 Å²	19	39.4 Å²	39.4	7%	0.072	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-34.3	175.7	-169.8	-106.9	0	0	0	112.4	F166 F171 C172 I180 S182 P183 F210	F166-W168 VanDerWaalsContact CE1-CA 3.41Å; F166-W168 HydrophobicContact CE1-CB 3.73Å; F166-W168 HydrophobicContact CE1-CD2 4.29Å; F166-W168 AromaticContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CG 4.41Å; F166-W168 VanDerWaalsContact CE1-N 3.3Å; F166-W168 HydrophobicContact CZ-CB 4.43Å; F166-W168 HydrophobicContact CZ-CD2 4.46Å; F166-W168 AromaticContact CZ-CE3 3.56Å; F166-W168 HydrophobicContact CZ-CE3 3.56Å; F166-W168 HydrophobicContact CZ-CZ3 4.27Å; W168-F171 HydrophobicContact CD2-CD1 4.32Å; W168-F171 AromaticContact CE3-CD1 3.74Å; W168-F171 HydrophobicContact CE3-CD1 3.74Å; W168-F171 HydrophobicContact CE3-CE1 4.1Å; W168-F171 HydrophobicContact CH2-CD1 4.15Å; W168-F171 AromaticContact CH2-CE1 3.9Å; W168-F171 HydrophobicContact CH2-CE1 3.9Å; W168-F171 AromaticContact CZ3-CD1 3.64Å; W168-F171 HydrophobicContact CZ3-CD1 3.64Å; W168-F171 AromaticContact CZ3-CE1 3.52Å; W168-F171 HydrophobicContact CZ3-CE1 3.52Å; W168-F171 PolarHBondContact O-N 3.38Å; W168-C172 PolarHBondContact NE1-SG 3.46Å; W168-C172 WeakPolarHBondContact O-CB 3.35Å; W168-C172 PolarHBondContact O-N 2.9Å; W168-I180 HydrophobicContact CH2-CG2 4.49Å; W168-I180 HydrophobicContact CZ2-CB 4.04Å; W168-I180 HydrophobicContact CZ2-CG2 3.75Å; W168-I180 WeakPolarHBondContact CZ2-O 3.37Å; W168-I180 PolarHBondContact NE1-O 2.89Å; W168-S182 VanDerWaalsContact NE1-C 3.34Å; W168-P183 HydrophobicContact CB-CB 3.91Å; W168-P183 HydrophobicContact CB-CG 3.92Å; W168-P183 VanDerWaalsContact CD1-CD 3.46Å; W168-P183 HydrophobicContact CD2-CB 3.46Å; W168-P183 VanDerWaalsContact CD2-CB 3.46Å; W168-P183 HydrophobicContact CD2-CG 4.26Å; W168-P183 HydrophobicContact CE3-CB 3.5Å; W168-P183 VanDerWaalsContact CE3-CB 3.5Å; W168-P183 HydrophobicContact CG-CB 3.63Å; W168-P183 VanDerWaalsContact CG-CD 3.48Å; W168-P183 HydrophobicContact CG-CG 3.91Å; W168-P183 HydrophobicContact CZ3-CB 4.25Å; W168-F210 AromaticContact CH2-CE1 3.94Å; W168-F210 HydrophobicContact CH2-CE1 3.94Å
169	T	70.7	Confident	76.3	Confident	106 Å²	106	44.9 Å²	44.9	65%	0.65	25%	0.251	S	S	*	.	H	α-helix	trans	-67.6	-37.1	178.4	52.4	0	0	0	0	112.4	S167 A173	S167-T169 PolarHBondContact O-N 3.15Å; S167-T169 PolarHBondContact OG-OG1 3.14Å; T169-A173 WeakPolarHBondContact O-CB 3.31Å; T169-A173 PolarHBondContact O-N 3.45Å
170	T	73.7	Confident	75.1	Confident	18 Å²	18	45.5 Å²	45.5	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-39.3	174.3	-54.4	0	0	0	0	110.6	S108 F136 S167 A173 L174	S108-T170 PolarHBondContact O-OG1 3.1Å; S108-T170 VanDerWaalsContact O-OG1 3.14Å; S108-T170 PolarHBondContact OG-OG1 3.28Å; F136-T170 HydrophobicContact CE2-CG2 4.05Å; S167-T170 PolarHBondContact O-N 3.32Å; S167-T170 PolarHBondContact OG-N 2.95Å; S167-T170 PolarHBondContact OG-OG1 2.79Å; T170-A173 PolarHBondContact O-N 2.82Å; T170-L174 HydrophobicContact CG2-CD1 3.96Å; T170-L174 VanDerWaalsContact O-CD1 3.29Å; T170-L174 WeakPolarHBondContact O-CD1 3.22Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 2.94Å
171	F	78.3	Confident	73.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-51.3	176.9	-176.6	-102.4	0	0	0	113.3	C110 F166 S167 W168 A173 L174 H175 L178 L207 I211	C110-F171 HydrophobicContact CB-CB 3.88Å; C110-F171 HydrophobicContact CB-CD2 4.14Å; C110-F171 HydrophobicContact CB-CG 4.5Å; F166-F171 HydrophobicContact CE2-CB 3.94Å; F166-F171 AromaticContact CE2-CD2 3.87Å; F166-F171 HydrophobicContact CE2-CD2 3.87Å; F166-F171 HydrophobicContact CE2-CE2 4.44Å; F166-F171 AromaticContact CE2-CG 3.9Å; F166-F171 HydrophobicContact CE2-CG 3.9Å; F166-F171 HydrophobicContact CZ-CB 3.63Å; F166-F171 AromaticContact CZ-CD1 3.98Å; F166-F171 HydrophobicContact CZ-CD1 3.98Å; F166-F171 HydrophobicContact CZ-CD2 4.11Å; F166-F171 AromaticContact CZ-CG 3.67Å; F166-F171 HydrophobicContact CZ-CG 3.67Å; S167-F171 WeakPolarHBondContact O-CB 3.43Å; S167-F171 PolarHBondContact O-N 2.74Å; W168-F171 HydrophobicContact CD2-CD1 4.32Å; W168-F171 AromaticContact CE3-CD1 3.74Å; W168-F171 HydrophobicContact CE3-CD1 3.74Å; W168-F171 HydrophobicContact CE3-CE1 4.1Å; W168-F171 HydrophobicContact CH2-CD1 4.15Å; W168-F171 AromaticContact CH2-CE1 3.9Å; W168-F171 HydrophobicContact CH2-CE1 3.9Å; W168-F171 AromaticContact CZ3-CD1 3.64Å; W168-F171 HydrophobicContact CZ3-CD1 3.64Å; W168-F171 AromaticContact CZ3-CE1 3.52Å; W168-F171 HydrophobicContact CZ3-CE1 3.52Å; W168-F171 PolarHBondContact O-N 3.38Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 2.75Å; F171-L174 CarbonylContact O-C 3.58Å; F171-L174 PolarHBondContact O-N 3.03Å; F171-H175 AromaticContact CD2-CD2 3.9Å; F171-H175 AromaticContact CE2-CD2 3.83Å; F171-H175 PolarHBondContact O-CD2 2.85Å; F171-H175 PolarHBondContact O-N 2.9Å; F171-L178 HydrophobicContact CD1-CD1 4.13Å; F171-L178 HydrophobicContact CE1-CD1 3.61Å; F171-L178 HydrophobicContact CZ-CD1 4.46Å; F171-L207 HydrophobicContact CE1-CD1 4.34Å; F171-L207 HydrophobicContact CE2-CD1 4.46Å; F171-L207 HydrophobicContact CE2-CD2 3.73Å; F171-L207 HydrophobicContact CE2-CG 4.21Å; F171-L207 HydrophobicContact CZ-CD1 3.76Å; F171-L207 HydrophobicContact CZ-CD2 3.87Å; F171-L207 HydrophobicContact CZ-CG 3.86Å; F171-I211 HydrophobicContact CE1-CD1 4.35Å; F171-I211 HydrophobicContact CE1-CG1 4.41Å; F171-I211 HydrophobicContact CE2-CD1 4.02Å; F171-I211 HydrophobicContact CZ-CD1 3.46Å; F171-I211 VanDerWaalsContact CZ-CD1 3.46Å; F171-I211 HydrophobicContact CZ-CG1 3.86Å
172	C	73.7	Confident	72.5	Confident	28 Å²	28	52.3 Å²	52.3	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-30.4	177.2	-73.6	0	0	0	0	113.1	W168 L174 H175	W168-C172 PolarHBondContact NE1-SG 3.46Å; W168-C172 WeakPolarHBondContact O-CB 3.35Å; W168-C172 PolarHBondContact O-N 2.9Å; C172-L174 VanDerWaalsContact C-N 3.31Å; C172-L174 PolarHBondContact O-N 3.33Å; C172-H175 CarbonylContact O-C 3.57Å; C172-H175 PolarHBondContact O-N 3.42Å
173	A	68.9	Low	71.4	Confident	25 Å²	25	53.8 Å²	53.8	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-38.4	171.2	0	0	0	0	0	111.7	F14 L18 T169 T170 F171	F14-A173 HydrophobicContact CE1-CB 3.67Å; F14-A173 HydrophobicContact CZ-CB 4.41Å; L18-A173 HydrophobicContact CD1-CB 4.2Å; L18-A173 WeakPolarHBondContact CD1-O 3.28Å; L18-A173 WeakPolarHBondContact CD2-O 3.49Å; T169-A173 WeakPolarHBondContact O-CB 3.31Å; T169-A173 PolarHBondContact O-N 3.45Å; T170-A173 PolarHBondContact O-N 2.82Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 2.75Å
174	L	69.1	Low	70.6	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-77.7	-21	176.3	-68.8	153.9	0	0	0	113	F14 L18 V112 A123 F136 T170 F171 C172 P176	F14-L174 HydrophobicContact CE2-CD2 4.32Å; F14-L174 HydrophobicContact CZ-CD2 4.02Å; F14-L174 HydrophobicContact CZ-CG 4.1Å; L18-L174 HydrophobicContact CD2-CD2 3.93Å; V112-L174 HydrophobicContact CG1-CB 4.35Å; V112-L174 HydrophobicContact CG1-CD1 3.78Å; A123-L174 HydrophobicContact CB-CD1 3.45Å; A123-L174 VanDerWaalsContact CB-CD1 3.45Å; F136-L174 HydrophobicContact CE2-CD1 4.39Å; F136-L174 HydrophobicContact CZ-CD1 3.9Å; F136-L174 HydrophobicContact CZ-CD2 4.02Å; F136-L174 HydrophobicContact CZ-CG 4.46Å; T170-L174 HydrophobicContact CG2-CD1 3.96Å; T170-L174 VanDerWaalsContact O-CD1 3.29Å; T170-L174 WeakPolarHBondContact O-CD1 3.22Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 2.94Å; F171-L174 CarbonylContact O-C 3.58Å; F171-L174 PolarHBondContact O-N 3.03Å; C172-L174 VanDerWaalsContact C-N 3.31Å; C172-L174 PolarHBondContact O-N 3.33Å; L174-P176 VanDerWaalsContact C-CD 3.44Å; L174-P176 WeakPolarHBondContact O-CD 3.35Å
175	H	69.6	Low	70	Confident	43 Å²	43	51.3 Å²	51.3	20%	0.199	30%	0.302	C	S	.	.			trans	-122.4	65.5	177.9	-66.1	-77.9	0	0	0	112.2	F171 C172 M177 L178	F171-H175 AromaticContact CD2-CD2 3.9Å; F171-H175 AromaticContact CE2-CD2 3.83Å; F171-H175 PolarHBondContact O-CD2 2.85Å; F171-H175 PolarHBondContact O-N 2.9Å; C172-H175 CarbonylContact O-C 3.57Å; C172-H175 PolarHBondContact O-N 3.42Å; H175-M177 PolarHBondContact O-N 3.49Å; H175-L178 HydrophobicContact CB-CD1 3.66Å; H175-L178 HydrophobicContact CB-CG 4.02Å; H175-L178 WeakPolarHBondContact O-CB 3.49Å; H175-L178 PolarHBondContact O-N 3.22Å
176	P	63.9	Low	69.4	Low	77 Å²	77	50.9 Å²	50.9	50%	0.5	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.2	-173.7	29.3	-37.7	0	0	0	114.8	L174 L178	L174-P176 VanDerWaalsContact C-CD 3.44Å; L174-P176 WeakPolarHBondContact O-CD 3.35Å; P176-L178 VanDerWaalsContact C-N 3.32Å
177	M	62.7	Low	68.8	Low	85 Å²	85	50 Å²	50	42%	0.419	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.4	172.7	-53.2	-56.3	-162.6	0	0	112.7	L26 H175 L179 I218	L26-M177 HydrophobicContact CD1-CE 4.2Å; H175-M177 PolarHBondContact O-N 3.49Å; M177-L179 PolarHBondContact O-N 2.96Å; M177-I218 WeakPolarHBondContact O-CD1 3.43Å
178	L	64.4	Low	68	Low	16 Å²	16	52.2 Å²	52.2	8%	0.084	31%	0.306	C	S	.	.			trans	-79.1	108	177.8	-66	175.3	0	0	0	110.2	F171 H175 P176 I180 I211 A214	F171-L178 HydrophobicContact CD1-CD1 4.13Å; F171-L178 HydrophobicContact CE1-CD1 3.61Å; F171-L178 HydrophobicContact CZ-CD1 4.46Å; H175-L178 HydrophobicContact CB-CD1 3.66Å; H175-L178 HydrophobicContact CB-CG 4.02Å; H175-L178 WeakPolarHBondContact O-CB 3.49Å; H175-L178 PolarHBondContact O-N 3.22Å; P176-L178 VanDerWaalsContact C-N 3.32Å; L178-I180 PolarHBondContact O-N 3.32Å; L178-I211 HydrophobicContact CD1-CG1 4.4Å; L178-I211 HydrophobicContact CD2-CG2 4.23Å; L178-A214 HydrophobicContact CD2-CB 3.83Å
179	L	61.4	Low	67.5	Low	152 Å²	152	56.6 Å²	56.6	80%	0.796	33%	0.331	S	S	*	.			trans	-76	37.9	172.1	-66	168.7	0	0	0	112.3	M177 I218	M177-L179 PolarHBondContact O-N 2.96Å; L179-I218 HydrophobicContact CD1-CD1 4.33Å
180	I	64.4	Low	67.4	Low	47 Å²	47	52.7 Å²	52.7	24%	0.241	31%	0.31	C	S	.	.			trans	-128.4	95.1	-168.8	-54.3	-175.8	0	0	0	109.1	W168 L178 S182 F210 A214	W168-I180 HydrophobicContact CH2-CG2 4.49Å; W168-I180 HydrophobicContact CZ2-CB 4.04Å; W168-I180 HydrophobicContact CZ2-CG2 3.75Å; W168-I180 WeakPolarHBondContact CZ2-O 3.37Å; W168-I180 PolarHBondContact NE1-O 2.89Å; L178-I180 PolarHBondContact O-N 3.32Å; I180-S182 WeakPolarHBondContact CG2-O 3.4Å; I180-S182 PolarHBondContact O-N 2.89Å; I180-F210 HydrophobicContact CD1-CE1 3.94Å; I180-F210 HydrophobicContact CD1-CZ 3.51Å; I180-A214 HydrophobicContact CD1-CB 3.99Å
181	D	63.4	Low	67.7	Low	164 Å²	164	51.9 Å²	51.9	88%	0.877	31%	0.305	S	S	*	.	S	Bend	trans	-68.7	-20.9	-174.6	-62.6	-34.1	0	0	0	113.6
182	S	63.2	Low	67.5	Low	78 Å²	78	53.6 Å²	53.6	55%	0.545	32%	0.317	S	S	.	.	S	Bend	trans	-127.3	136.4	-176.3	59.2	0	0	0	0	112.3	W168 I180	W168-S182 VanDerWaalsContact NE1-C 3.34Å; I180-S182 WeakPolarHBondContact CG2-O 3.4Å; I180-S182 PolarHBondContact O-N 2.89Å
183	P	66.9	Low	67.4	Low	37 Å²	37	57.1 Å²	57.1	24%	0.24	33%	0.334	C	S	.	.			trans	-62	141.8	177.5	26.7	-33.5	0	0	0	111	W168 V188	W168-P183 HydrophobicContact CB-CB 3.91Å; W168-P183 HydrophobicContact CB-CG 3.92Å; W168-P183 VanDerWaalsContact CD1-CD 3.46Å; W168-P183 HydrophobicContact CD2-CB 3.46Å; W168-P183 VanDerWaalsContact CD2-CB 3.46Å; W168-P183 HydrophobicContact CD2-CG 4.26Å; W168-P183 HydrophobicContact CE3-CB 3.5Å; W168-P183 VanDerWaalsContact CE3-CB 3.5Å; W168-P183 HydrophobicContact CG-CB 3.63Å; W168-P183 VanDerWaalsContact CG-CD 3.48Å; W168-P183 HydrophobicContact CG-CG 3.91Å; W168-P183 HydrophobicContact CZ3-CB 4.25Å; P183-V188 HydrophobicContact CB-CG2 3.43Å; P183-V188 VanDerWaalsContact CB-CG2 3.43Å; P183-V188 HydrophobicContact CG-CG2 3.2Å
184	P	66.8	Low	68.1	Low	15 Å²	15	56.1 Å²	56.1	10%	0.097	33%	0.326	C	S	.	.			trans	-56	131.6	166.2	-25	35.7	0	0	0	109.8	G186 I187 V188 F210 L272	P184-G186 VanDerWaalsContact C-N 3.29Å; P184-G186 PolarHBondContact O-N 3.27Å; P184-I187 HydrophobicContact CB-CD1 4.05Å; P184-I187 HydrophobicContact CG-CD1 3.86Å; P184-I187 WeakPolarHBondContact O-CB 3.37Å; P184-I187 PolarHBondContact O-N 3.46Å; P184-V188 PolarHBondContact O-N 3.05Å; P184-F210 HydrophobicContact CG-CD2 4.31Å; P184-F210 HydrophobicContact CG-CE1 4.03Å; P184-F210 HydrophobicContact CG-CE2 3.53Å; P184-F210 HydrophobicContact CG-CZ 3.35Å; P184-L272 HydrophobicContact CB-CD1 4.37Å; P184-L272 HydrophobicContact CB-CD2 4.03Å
185	P	64.5	Low	68.7	Low	81 Å²	81	55.2 Å²	55.2	53%	0.526	32%	0.321	S	S	.	.	H	α-helix	trans	-53	-43.2	-171.7	-30.2	35.8	0	0	0	113.9	I187 V188 D189	P185-I187 PolarHBondContact O-N 3.09Å; P185-V188 WeakPolarHBondContact O-CB 3.46Å; P185-V188 PolarHBondContact O-N 3.11Å; P185-D189 PolarHBondContact O-N 3.32Å
186	G	67.5	Low	68.9	Low	16 Å²	16	53.9 Å²	53.9	17%	0.165	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-27.7	177.4	0	0	0	0	0	114.9	P184 A190	P184-G186 VanDerWaalsContact C-N 3.29Å; P184-G186 PolarHBondContact O-N 3.27Å; G186-A190 WeakPolarHBondContact O-CB 3.3Å; G186-A190 PolarHBondContact O-N 2.88Å
187	I	67.7	Low	69.1	Low	7 Å²	7	51.5 Å²	51.5	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-76.5	-38.9	173.2	-71.1	160.8	0	0	0	110.6	F166 P184 P185 D189 F191 L207	F166-I187 HydrophobicContact CD1-CG2 4.44Å; F166-I187 HydrophobicContact CE1-CG2 4.25Å; F166-I187 HydrophobicContact CZ-CG2 4.43Å; P184-I187 HydrophobicContact CB-CD1 4.05Å; P184-I187 HydrophobicContact CG-CD1 3.86Å; P184-I187 WeakPolarHBondContact O-CB 3.37Å; P184-I187 PolarHBondContact O-N 3.46Å; P185-I187 PolarHBondContact O-N 3.09Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-F191 HydrophobicContact CG2-CD2 4.13Å; I187-F191 HydrophobicContact CG2-CE2 4.43Å; I187-F191 WeakPolarHBondContact O-CD2 3.39Å; I187-F191 PolarHBondContact O-N 3.46Å; I187-L207 HydrophobicContact CD1-CD1 3.53Å; I187-L207 HydrophobicContact CG1-CD1 4.25Å; I187-L207 HydrophobicContact CG2-CD1 4.3Å
188	V	67.4	Low	69.3	Low	60 Å²	60	54.3 Å²	54.3	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-48.7	174.3	-171.9	0	0	0	0	110.2	P183 P184 P185 F191 S192	P183-V188 HydrophobicContact CB-CG2 3.43Å; P183-V188 VanDerWaalsContact CB-CG2 3.43Å; P183-V188 HydrophobicContact CG-CG2 3.2Å; P184-V188 PolarHBondContact O-N 3.05Å; P185-V188 WeakPolarHBondContact O-CB 3.46Å; P185-V188 PolarHBondContact O-N 3.11Å; V188-F191 CarbonylContact O-C 3.52Å; V188-S192 VanDerWaalsContact O-CA 3.27Å; V188-S192 WeakPolarHBondContact O-CA 3.25Å; V188-S192 VanDerWaalsContact O-CB 3.25Å; V188-S192 WeakPolarHBondContact O-CB 3.25Å; V188-S192 PolarHBondContact O-N 2.87Å
189	D	68.6	Low	69.5	Low	111 Å²	111	57.5 Å²	57.5	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-67.4	-44.8	-175.6	-69.2	-25.2	0	0	0	111.5	P185 I187 F191 S192	P185-D189 PolarHBondContact O-N 3.32Å; I187-D189 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 3.37Å; D189-S192 VanDerWaalsContact O-CB 3.29Å; D189-S192 WeakPolarHBondContact O-CB 3.14Å; D189-S192 PolarHBondContact O-N 2.84Å; D189-S192 PolarHBondContact O-OG 2.8Å
190	A	70	Confident	70.3	Confident	25 Å²	25	51.4 Å²	51.4	21%	0.207	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-43.8	178.4	0	0	0	0	0	112.7	G186 P196 W203	G186-A190 WeakPolarHBondContact O-CB 3.3Å; G186-A190 PolarHBondContact O-N 2.88Å; A190-P196 HydrophobicContact CB-CG 4.22Å; A190-W203 HydrophobicContact CB-CD2 3.87Å; A190-W203 HydrophobicContact CB-CE3 3.56Å; A190-W203 HydrophobicContact CB-CH2 3.68Å; A190-W203 HydrophobicContact CB-CZ2 3.96Å; A190-W203 HydrophobicContact CB-CZ3 3.47Å; A190-W203 VanDerWaalsContact CB-CZ3 3.47Å
191	F	79.9	Confident	71.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.9	-178.4	-63.7	-102	0	0	0	113.2	W109 P111 G165 F166 I187 V188 D189 N193 G194 F195 P196 W203	W109-F191 HydrophobicContact CH2-CB 4.2Å; W109-F191 AromaticContact CH2-CD1 3.86Å; W109-F191 HydrophobicContact CH2-CD1 3.86Å; W109-F191 HydrophobicContact CZ3-CD1 4.07Å; P111-F191 HydrophobicContact CG-CE1 4.21Å; G165-F191 CarbonylContact C-O 3.58Å; G165-F191 WeakPolarHBondContact CA-O 3.47Å; F166-F191 HydrophobicContact CB-CB 3.33Å; F166-F191 HydrophobicContact CB-CG 4.11Å; F166-F191 HydrophobicContact CG-CB 4.17Å; F166-F191 PolarHBondContact N-O 2.82Å; I187-F191 HydrophobicContact CG2-CD2 4.13Å; I187-F191 HydrophobicContact CG2-CE2 4.43Å; I187-F191 WeakPolarHBondContact O-CD2 3.39Å; I187-F191 PolarHBondContact O-N 3.46Å; V188-F191 CarbonylContact O-C 3.52Å; D189-F191 PolarHBondContact O-N 3.37Å; F191-N193 PolarHBondContact O-N 2.81Å; F191-G194 CarbonylContact C-O 3.55Å; F191-G194 VanDerWaalsContact C-O 3.29Å; F191-G194 VanDerWaalsContact CA-O 3.22Å; F191-G194 WeakPolarHBondContact CA-O 3.41Å; F191-F195 HydrophobicContact CE1-CD1 4.11Å; F191-F195 HydrophobicContact CE1-CD2 4.39Å; F191-F195 AromaticContact CE1-CE1 3.91Å; F191-F195 HydrophobicContact CE1-CE1 3.91Å; F191-F195 HydrophobicContact CE1-CE2 4.23Å; F191-F195 HydrophobicContact CE1-CG 4.34Å; F191-F195 AromaticContact CE1-CZ 3.99Å; F191-F195 HydrophobicContact CE1-CZ 3.99Å; F191-P196 HydrophobicContact CD1-CG 4.15Å; F191-P196 HydrophobicContact CD2-CG 4.24Å; F191-P196 VanDerWaalsContact CE1-CD 3.44Å; F191-P196 HydrophobicContact CE1-CG 4.11Å; F191-P196 HydrophobicContact CE2-CG 4.21Å; F191-P196 HydrophobicContact CG-CG 4.21Å; F191-P196 HydrophobicContact CZ-CG 4.14Å; F191-W203 HydrophobicContact CE2-CB 4.25Å; F191-W203 HydrophobicContact CZ-CB 4.06Å
192	S	72.8	Confident	72	Confident	36 Å²	36	47.1 Å²	47.1	25%	0.252	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.1	-172.8	57.3	0	0	0	0	114.4	G165 V188 D189	G165-S192 WeakPolarHBondContact CA-O 3.35Å; V188-S192 VanDerWaalsContact O-CA 3.27Å; V188-S192 WeakPolarHBondContact O-CA 3.25Å; V188-S192 VanDerWaalsContact O-CB 3.25Å; V188-S192 WeakPolarHBondContact O-CB 3.25Å; V188-S192 PolarHBondContact O-N 2.87Å; D189-S192 VanDerWaalsContact O-CB 3.29Å; D189-S192 WeakPolarHBondContact O-CB 3.14Å; D189-S192 PolarHBondContact O-N 2.84Å; D189-S192 PolarHBondContact O-OG 2.8Å
193	N	72.9	Confident	72.8	Confident	103 Å²	103	45.6 Å²	45.6	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	9.1	-172.5	-71.7	-61.8	0	0	0	113.8	Q150 F191	Q150-N193 WeakPolarHBondContact CG-O 3.5Å; Q150-N193 PolarHBondContact NE2-O 2.85Å; Q150-N193 VanDerWaalsContact NE2-O 3.12Å; F191-N193 PolarHBondContact O-N 2.81Å
194	G	82.7	Confident	73.6	Confident	3 Å²	3	43.8 Å²	43.8	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	131.8	-164.2	-167	0	0	0	0	0	109.9	W109 G149 F191	W109-G194 VanDerWaalsContact CH2-C 3.47Å; W109-G194 WeakPolarHBondContact CH2-O 3.21Å; G149-G194 WeakPolarHBondContact O-CA 3.38Å; F191-G194 CarbonylContact C-O 3.55Å; F191-G194 VanDerWaalsContact C-O 3.29Å; F191-G194 VanDerWaalsContact CA-O 3.22Å; F191-G194 WeakPolarHBondContact CA-O 3.41Å
195	F	81.3	Confident	74.2	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.018	24%	0.244	C	C	.	.	S	Bend	trans	-75.2	139	171.9	-144.5	-70	0	0	0	109.6	W109 P111 L122 V145 G149 V152 L162 F191 A197 W200 T204	W109-F195 HydrophobicContact CH2-CB 4.44Å; W109-F195 HydrophobicContact CH2-CD2 4.39Å; W109-F195 AromaticContact CZ3-CD2 3.85Å; W109-F195 HydrophobicContact CZ3-CD2 3.85Å; W109-F195 HydrophobicContact CZ3-CE2 4.47Å; P111-F195 HydrophobicContact CB-CE2 4.09Å; P111-F195 HydrophobicContact CB-CZ 4.32Å; L122-F195 HydrophobicContact CD2-CD2 3.95Å; L122-F195 HydrophobicContact CD2-CE2 3.7Å; V145-F195 HydrophobicContact CG1-CB 3.86Å; V145-F195 HydrophobicContact CG2-CB 4.49Å; V145-F195 HydrophobicContact CG2-CD1 4.3Å; V145-F195 HydrophobicContact CG2-CG 4.34Å; G149-F195 WeakPolarHBondContact CA-O 3.18Å; G149-F195 PolarHBondContact O-N 3.3Å; V152-F195 HydrophobicContact CG2-CB 4.45Å; L162-F195 HydrophobicContact CD1-CB 4.04Å; F191-F195 HydrophobicContact CE1-CD1 4.11Å; F191-F195 HydrophobicContact CE1-CD2 4.39Å; F191-F195 AromaticContact CE1-CE1 3.91Å; F191-F195 HydrophobicContact CE1-CE1 3.91Å; F191-F195 HydrophobicContact CE1-CE2 4.23Å; F191-F195 HydrophobicContact CE1-CG 4.34Å; F191-F195 AromaticContact CE1-CZ 3.99Å; F191-F195 HydrophobicContact CE1-CZ 3.99Å; F195-A197 PolarHBondContact O-N 3.43Å; F195-W200 HydrophobicContact CD1-CB 3.71Å; F195-W200 HydrophobicContact CD1-CG 4.47Å; F195-W200 HydrophobicContact CE1-CB 3.71Å; F195-W200 HydrophobicContact CE1-CD2 4.19Å; F195-W200 AromaticContact CE1-CE3 3.64Å; F195-W200 HydrophobicContact CE1-CE3 3.64Å; F195-W200 HydrophobicContact CE1-CG 4.3Å; F195-W200 AromaticContact CZ-CE3 3.9Å; F195-W200 HydrophobicContact CZ-CE3 3.9Å; F195-W200 HydrophobicContact CZ-CZ3 4.44Å; F195-T204 WeakPolarHBondContact CE1-OG1 3.48Å; F195-T204 VanDerWaalsContact CZ-OG1 3.26Å; F195-T204 WeakPolarHBondContact CZ-OG1 3.49Å
196	P	75.4	Confident	74.7	Confident	14 Å²	14	40.7 Å²	40.7	9%	0.091	22%	0.219	C	C	.	.			trans	-53.9	112.9	176.5	-27	31.8	0	0	0	111.3	A190 F191 H198 W200 W203	A190-P196 HydrophobicContact CB-CG 4.22Å; F191-P196 HydrophobicContact CD1-CG 4.15Å; F191-P196 HydrophobicContact CD2-CG 4.24Å; F191-P196 VanDerWaalsContact CE1-CD 3.44Å; F191-P196 HydrophobicContact CE1-CG 4.11Å; F191-P196 HydrophobicContact CE2-CG 4.21Å; F191-P196 HydrophobicContact CG-CG 4.21Å; F191-P196 HydrophobicContact CZ-CG 4.14Å; P196-H198 PolarHBondContact O-N 2.86Å; P196-W200 WeakPolarHBondContact O-CA 3.02Å; P196-W200 WeakPolarHBondContact O-CB 3.39Å; P196-W203 HydrophobicContact CB-CB 4.32Å; P196-W203 HydrophobicContact CB-CG 3.83Å; P196-W203 HydrophobicContact CG-CB 3.92Å; P196-W203 HydrophobicContact CG-CD2 4.25Å; P196-W203 HydrophobicContact CG-CG 3.68Å
197	A	66.3	Low	75.2	Confident	28 Å²	28	40 Å²	40	23%	0.231	21%	0.211	C	C	.	.	S	Bend	trans	-68.4	-36.1	-168.8	0	0	0	0	0	113.7	S146 E147 F195	S146-A197 WeakPolarHBondContact O-CB 3.48Å; E147-A197 VanDerWaalsContact C-CB 3.43Å; E147-A197 WeakPolarHBondContact O-CB 3.34Å; F195-A197 PolarHBondContact O-N 3.43Å
198	H	67.7	Low	75.8	Confident	144 Å²	144	41.4 Å²	41.4	67%	0.667	22%	0.218	S	C	*	.	S	Bend	trans	-97.6	140	172.3	-54.5	-56.5	0	0	0	109.4	P196 W200	P196-H198 PolarHBondContact O-N 2.86Å; H198-W200 PolarHBondContact O-N 2.87Å
199	N	69.5	Low	76.2	Confident	82 Å²	82	41.7 Å²	41.7	44%	0.439	21%	0.213	S	C	.	.	S	Bend	trans	53.4	37.1	178.2	-59.5	-5.7	0	0	0	113.1	R201 S202 W203 D262	N199-R201 PolarHBondContact O-N 3.47Å; N199-S202 WeakPolarHBondContact O-CA 3.43Å; N199-S202 WeakPolarHBondContact O-CB 3.48Å; N199-S202 PolarHBondContact O-N 2.93Å; N199-W203 PolarHBondContact O-N 3.1Å; N199-D262 PolarHBondContact ND2-OD2 3.44Å
200	W	78	Confident	76.5	Confident	24 Å²	24	38.1 Å²	38.1	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-55.6	-39.1	-178	79.8	-110.6	0	0	0	112.6	G118 V142 V145 F195 P196 H198 T204	G118-W200 WeakPolarHBondContact O-CZ3 3.32Å; V142-W200 HydrophobicContact CB-CH2 3.75Å; V142-W200 HydrophobicContact CB-CZ2 4.28Å; V142-W200 HydrophobicContact CB-CZ3 4.18Å; V142-W200 HydrophobicContact CG1-CH2 3.62Å; V142-W200 HydrophobicContact CG1-CZ2 3.69Å; V142-W200 HydrophobicContact CG1-CZ3 4.1Å; V145-W200 HydrophobicContact CB-CG 4.48Å; V145-W200 HydrophobicContact CG2-CB 4.35Å; V145-W200 HydrophobicContact CG2-CD2 4Å; V145-W200 HydrophobicContact CG2-CG 3.88Å; F195-W200 HydrophobicContact CD1-CB 3.71Å; F195-W200 HydrophobicContact CD1-CG 4.47Å; F195-W200 HydrophobicContact CE1-CB 3.71Å; F195-W200 HydrophobicContact CE1-CD2 4.19Å; F195-W200 AromaticContact CE1-CE3 3.64Å; F195-W200 HydrophobicContact CE1-CE3 3.64Å; F195-W200 HydrophobicContact CE1-CG 4.3Å; F195-W200 AromaticContact CZ-CE3 3.9Å; F195-W200 HydrophobicContact CZ-CE3 3.9Å; F195-W200 HydrophobicContact CZ-CZ3 4.44Å; P196-W200 WeakPolarHBondContact O-CA 3.02Å; P196-W200 WeakPolarHBondContact O-CB 3.39Å; H198-W200 PolarHBondContact O-N 2.87Å; W200-T204 WeakPolarHBondContact O-CB 3.35Å; W200-T204 PolarHBondContact O-N 3.5Å; W200-T204 PolarHBondContact O-OG1 3.11Å
201	R	85.6	Confident	76.8	Confident	94 Å²	94	38.1 Å²	38.1	36%	0.355	19%	0.188	S	C	.	.	H	α-helix	trans	-62.7	-46.7	172.7	-74	-169.1	165.9	85.3	5.4	111.5	G118 D119 N199 W203 T204 Q205	G118-R201 WeakPolarHBondContact CA-O 3.47Å; D119-R201 IonicContact OD1-CZ 2.64Å; D119-R201 VanDerWaalsContact OD1-CZ 3.22Å; D119-R201 IonicContact OD1-NE 3.29Å; D119-R201 PolarHBondContact OD1-NE 3.33Å; D119-R201 IonicContact OD1-NH2 3.39Å; D119-R201 PolarHBondContact OD1-NH2 2.93Å; N199-R201 PolarHBondContact O-N 3.47Å; R201-W203 VanDerWaalsContact C-N 3.33Å; R201-W203 PolarHBondContact O-N 2.7Å; R201-T204 CarbonylContact O-C 3.42Å; R201-T204 WeakPolarHBondContact O-CA 3.26Å; R201-T204 WeakPolarHBondContact O-CB 3.41Å; R201-T204 PolarHBondContact O-N 2.81Å; R201-Q205 WeakPolarHBondContact O-CB 3.39Å; R201-Q205 PolarHBondContact O-N 2.82Å
202	S	78.1	Confident	76.4	Confident	27 Å²	27	39.7 Å²	39.7	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-38	178.8	-44.3	0	0	0	0	113	N199 G206	N199-S202 WeakPolarHBondContact O-CA 3.43Å; N199-S202 WeakPolarHBondContact O-CB 3.48Å; N199-S202 PolarHBondContact O-N 2.93Å; S202-G206 PolarHBondContact O-N 3.08Å
203	W	79.3	Confident	76.2	Confident	46 Å²	46	42.1 Å²	42.1	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-41.1	171.9	-78.6	103.3	0	0	0	112.5	A190 F191 P196 N199 R201 G206 L207	A190-W203 HydrophobicContact CB-CD2 3.87Å; A190-W203 HydrophobicContact CB-CE3 3.56Å; A190-W203 HydrophobicContact CB-CH2 3.68Å; A190-W203 HydrophobicContact CB-CZ2 3.96Å; A190-W203 HydrophobicContact CB-CZ3 3.47Å; A190-W203 VanDerWaalsContact CB-CZ3 3.47Å; F191-W203 HydrophobicContact CE2-CB 4.25Å; F191-W203 HydrophobicContact CZ-CB 4.06Å; P196-W203 HydrophobicContact CB-CB 4.32Å; P196-W203 HydrophobicContact CB-CG 3.83Å; P196-W203 HydrophobicContact CG-CB 3.92Å; P196-W203 HydrophobicContact CG-CD2 4.25Å; P196-W203 HydrophobicContact CG-CG 3.68Å; N199-W203 PolarHBondContact O-N 3.1Å; R201-W203 VanDerWaalsContact C-N 3.33Å; R201-W203 PolarHBondContact O-N 2.7Å; W203-G206 PolarHBondContact O-N 3.33Å; W203-L207 PolarHBondContact O-N 2.99Å
204	T	82.7	Confident	75.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-38.5	178	-55.8	0	0	0	0	112.1	L114 G118 C120 F195 W200 R201 L207 H208	L114-T204 HydrophobicContact CB-CG2 4.45Å; L114-T204 HydrophobicContact CD2-CG2 3.91Å; G118-T204 VanDerWaalsContact O-CB 3.31Å; G118-T204 WeakPolarHBondContact O-CB 3.29Å; G118-T204 VanDerWaalsContact O-CG2 3.28Å; G118-T204 WeakPolarHBondContact O-CG2 3.43Å; C120-T204 HydrophobicContact CB-CG2 3.68Å; F195-T204 WeakPolarHBondContact CE1-OG1 3.48Å; F195-T204 VanDerWaalsContact CZ-OG1 3.26Å; F195-T204 WeakPolarHBondContact CZ-OG1 3.49Å; W200-T204 WeakPolarHBondContact O-CB 3.35Å; W200-T204 PolarHBondContact O-N 3.5Å; W200-T204 PolarHBondContact O-OG1 3.11Å; R201-T204 CarbonylContact O-C 3.42Å; R201-T204 WeakPolarHBondContact O-CA 3.26Å; R201-T204 WeakPolarHBondContact O-CB 3.41Å; R201-T204 PolarHBondContact O-N 2.81Å; T204-L207 WeakPolarHBondContact O-CB 3.45Å; T204-L207 PolarHBondContact O-N 2.99Å; T204-H208 PolarHBondContact O-N 2.73Å
205	Q	79.5	Confident	74.8	Confident	30 Å²	30	40.5 Å²	40.5	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-41.8	174.2	-166.9	-171.8	25.5	0	0	110.8	V116 R201 L207 H208 Y209	V116-Q205 WeakPolarHBondContact O-CG 3.41Å; V116-Q205 PolarHBondContact O-NE2 3.46Å; R201-Q205 WeakPolarHBondContact O-CB 3.39Å; R201-Q205 PolarHBondContact O-N 2.82Å; Q205-L207 VanDerWaalsContact C-N 3.33Å; Q205-L207 PolarHBondContact O-N 3.1Å; Q205-H208 WeakPolarHBondContact O-CB 3.15Å; Q205-H208 PolarHBondContact O-N 2.88Å; Q205-Y209 HydrophobicContact CG-CD2 4.14Å; Q205-Y209 HydrophobicContact CG-CE2 3.65Å; Q205-Y209 WeakPolarHBondContact O-CD2 3.35Å; Q205-Y209 PolarHBondContact O-N 3.36Å
206	G	75.5	Confident	73.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-44.4	169.6	0	0	0	0	0	112.3	S202 W203 Y209 F210 F269	S202-G206 PolarHBondContact O-N 3.08Å; W203-G206 PolarHBondContact O-N 3.33Å; G206-Y209 PolarHBondContact O-N 3.41Å; G206-F210 WeakPolarHBondContact O-CB 3.39Å; G206-F210 PolarHBondContact O-N 3.47Å; G206-F269 VanDerWaalsContact C-CZ 3.49Å; G206-F269 VanDerWaalsContact CA-CZ 3.46Å; G206-F269 WeakPolarHBondContact O-CZ 3.47Å
207	L	78.3	Confident	71.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-39.1	175	-171.7	66.6	0	0	0	112	P111 L114 F171 I187 W203 T204 Q205 F210 I211	P111-L207 HydrophobicContact CG-CD2 3.6Å; L114-L207 HydrophobicContact CD1-CB 3.92Å; L114-L207 HydrophobicContact CD1-CD2 3.73Å; L114-L207 HydrophobicContact CD1-CG 3.59Å; L114-L207 HydrophobicContact CD2-CD2 4.49Å; F171-L207 HydrophobicContact CE1-CD1 4.34Å; F171-L207 HydrophobicContact CE2-CD1 4.46Å; F171-L207 HydrophobicContact CE2-CD2 3.73Å; F171-L207 HydrophobicContact CE2-CG 4.21Å; F171-L207 HydrophobicContact CZ-CD1 3.76Å; F171-L207 HydrophobicContact CZ-CD2 3.87Å; F171-L207 HydrophobicContact CZ-CG 3.86Å; I187-L207 HydrophobicContact CD1-CD1 3.53Å; I187-L207 HydrophobicContact CG1-CD1 4.25Å; I187-L207 HydrophobicContact CG2-CD1 4.3Å; W203-L207 PolarHBondContact O-N 2.99Å; T204-L207 WeakPolarHBondContact O-CB 3.45Å; T204-L207 PolarHBondContact O-N 2.99Å; Q205-L207 VanDerWaalsContact C-N 3.33Å; Q205-L207 PolarHBondContact O-N 3.1Å; L207-F210 PolarHBondContact O-N 2.95Å; L207-I211 WeakPolarHBondContact O-CG1 3.22Å; L207-I211 PolarHBondContact O-N 3.03Å
208	H	81	Confident	70.4	Confident	38 Å²	38	50.4 Å²	50.4	18%	0.176	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-47.6	172.1	171.2	-85.8	0	0	0	111.9	L114 T204 Q205 F210 I211 S212	L114-H208 HydrophobicContact CB-CB 3.86Å; L114-H208 HydrophobicContact CD1-CB 4.35Å; L114-H208 PolarHBondContact O-CD2 2.83Å; T204-H208 PolarHBondContact O-N 2.73Å; Q205-H208 WeakPolarHBondContact O-CB 3.15Å; Q205-H208 PolarHBondContact O-N 2.88Å; H208-F210 VanDerWaalsContact C-N 3.34Å; H208-F210 PolarHBondContact O-N 2.96Å; H208-I211 PolarHBondContact O-N 3.06Å; H208-S212 PolarHBondContact CE1-OG 3.17Å; H208-S212 WeakPolarHBondContact O-CB 3.49Å; H208-S212 PolarHBondContact O-N 3.06Å; H208-S212 PolarHBondContact O-OG 2.89Å
209	Y	74.9	Confident	68.7	Low	66 Å²	66	50.7 Å²	50.7	26%	0.259	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-38	176.2	-73.2	-55.6	0	0	0	112.4	Q205 G206 S212 T213 V259 L261	Q205-Y209 HydrophobicContact CG-CD2 4.14Å; Q205-Y209 HydrophobicContact CG-CE2 3.65Å; Q205-Y209 WeakPolarHBondContact O-CD2 3.35Å; Q205-Y209 PolarHBondContact O-N 3.36Å; G206-Y209 PolarHBondContact O-N 3.41Å; Y209-S212 PolarHBondContact O-N 3.06Å; Y209-T213 WeakPolarHBondContact O-CB 3.38Å; Y209-T213 PolarHBondContact O-N 3.33Å; Y209-T213 PolarHBondContact O-OG1 3.17Å; Y209-V259 HydrophobicContact CE2-CG1 4.17Å; Y209-L261 HydrophobicContact CD2-CD2 4.48Å
210	F	75.9	Confident	66.9	Low	36 Å²	36	55.6 Å²	55.6	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-50.6	174.4	176.7	-91.1	0	0	0	111.9	W168 I180 P184 G206 L207 H208 S212 T213 A214 F269	W168-F210 AromaticContact CH2-CE1 3.94Å; W168-F210 HydrophobicContact CH2-CE1 3.94Å; I180-F210 HydrophobicContact CD1-CE1 3.94Å; I180-F210 HydrophobicContact CD1-CZ 3.51Å; P184-F210 HydrophobicContact CG-CD2 4.31Å; P184-F210 HydrophobicContact CG-CE1 4.03Å; P184-F210 HydrophobicContact CG-CE2 3.53Å; P184-F210 HydrophobicContact CG-CZ 3.35Å; G206-F210 WeakPolarHBondContact O-CB 3.39Å; G206-F210 PolarHBondContact O-N 3.47Å; L207-F210 PolarHBondContact O-N 2.95Å; H208-F210 VanDerWaalsContact C-N 3.34Å; H208-F210 PolarHBondContact O-N 2.96Å; F210-S212 VanDerWaalsContact C-N 3.34Å; F210-S212 PolarHBondContact O-N 2.97Å; F210-T213 PolarHBondContact O-N 2.99Å; F210-A214 VanDerWaalsContact O-CB 3.28Å; F210-A214 WeakPolarHBondContact O-CB 3.2Å; F210-A214 PolarHBondContact O-N 2.91Å; F210-F269 HydrophobicContact CB-CE1 4.41Å
211	I	75.1	Confident	64.5	Low	24 Å²	24	59.6 Å²	59.6	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-44.7	176.1	-62	173	0	0	0	110.8	L114 F171 L178 L207 H208 T213 A214 S215	L114-I211 HydrophobicContact CD1-CD1 3.54Å; L114-I211 HydrophobicContact CG-CD1 4.41Å; F171-I211 HydrophobicContact CE1-CD1 4.35Å; F171-I211 HydrophobicContact CE1-CG1 4.41Å; F171-I211 HydrophobicContact CE2-CD1 4.02Å; F171-I211 HydrophobicContact CZ-CD1 3.46Å; F171-I211 VanDerWaalsContact CZ-CD1 3.46Å; F171-I211 HydrophobicContact CZ-CG1 3.86Å; L178-I211 HydrophobicContact CD1-CG1 4.4Å; L178-I211 HydrophobicContact CD2-CG2 4.23Å; L207-I211 WeakPolarHBondContact O-CG1 3.22Å; L207-I211 PolarHBondContact O-N 3.03Å; H208-I211 PolarHBondContact O-N 3.06Å; I211-T213 VanDerWaalsContact C-N 3.35Å; I211-T213 PolarHBondContact O-N 2.91Å; I211-A214 PolarHBondContact O-N 3.24Å; I211-S215 WeakPolarHBondContact O-CB 3.49Å; I211-S215 PolarHBondContact O-N 2.75Å; I211-S215 PolarHBondContact O-OG 2.9Å
212	S	72.1	Confident	61.6	Low	34 Å²	34	62.8 Å²	62.8	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-49.5	-179.7	-59.3	0	0	0	0	110.1	H208 Y209 F210 A214 S215 E216	H208-S212 PolarHBondContact CE1-OG 3.17Å; H208-S212 WeakPolarHBondContact O-CB 3.49Å; H208-S212 PolarHBondContact O-N 3.06Å; H208-S212 PolarHBondContact O-OG 2.89Å; Y209-S212 PolarHBondContact O-N 3.06Å; F210-S212 VanDerWaalsContact C-N 3.34Å; F210-S212 PolarHBondContact O-N 2.97Å; S212-A214 PolarHBondContact O-N 3.01Å; S212-S215 PolarHBondContact O-N 2.93Å; S212-S215 PolarHBondContact O-OG 3.22Å; S212-S215 VanDerWaalsContact O-OG 3.12Å; S212-E216 WeakPolarHBondContact O-CB 3.4Å; S212-E216 VanDerWaalsContact O-CG 3.29Å; S212-E216 WeakPolarHBondContact O-CG 3.24Å; S212-E216 PolarHBondContact O-N 3.14Å
213	T	67.7	Low	59.3	Low	87 Å²	87	67.9 Å²	67.9	53%	0.534	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.3	-49.9	0	0	0	0	112.1	Y209 F210 I211 S215	Y209-T213 WeakPolarHBondContact O-CB 3.38Å; Y209-T213 PolarHBondContact O-N 3.33Å; Y209-T213 PolarHBondContact O-OG1 3.17Å; F210-T213 PolarHBondContact O-N 2.99Å; I211-T213 VanDerWaalsContact C-N 3.35Å; I211-T213 PolarHBondContact O-N 2.91Å; T213-S215 VanDerWaalsContact C-N 3.33Å; T213-S215 PolarHBondContact O-N 3.19Å
214	A	66	Low	56.8	Low	33 Å²	33	71.6 Å²	71.6	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-31.1	179.2	0	0	0	0	0	113.2	L178 I180 F210 I211 S212	L178-A214 HydrophobicContact CD2-CB 3.83Å; I180-A214 HydrophobicContact CD1-CB 3.99Å; F210-A214 VanDerWaalsContact O-CB 3.28Å; F210-A214 WeakPolarHBondContact O-CB 3.2Å; F210-A214 PolarHBondContact O-N 2.91Å; I211-A214 PolarHBondContact O-N 3.24Å; S212-A214 PolarHBondContact O-N 3.01Å
215	S	60	Low	54.2	Low	38 Å²	38	77 Å²	77	27%	0.266	43%	0.431	S	S	.	.	H	α-helix	trans	-87.9	-25.5	178.7	59.6	0	0	0	0	113.7	I211 S212 T213 G217 I218	I211-S215 WeakPolarHBondContact O-CB 3.49Å; I211-S215 PolarHBondContact O-N 2.75Å; I211-S215 PolarHBondContact O-OG 2.9Å; S212-S215 PolarHBondContact O-N 2.93Å; S212-S215 PolarHBondContact O-OG 3.22Å; S212-S215 VanDerWaalsContact O-OG 3.12Å; T213-S215 VanDerWaalsContact C-N 3.33Å; T213-S215 PolarHBondContact O-N 3.19Å; S215-G217 VanDerWaalsContact C-N 3.25Å; S215-G217 PolarHBondContact O-N 2.88Å; S215-I218 WeakPolarHBondContact O-CB 3.47Å; S215-I218 PolarHBondContact O-N 3.22Å; S215-I218 VanDerWaalsContact O-N 3.15Å
216	E	51.5	Low	51.6	Low	110 Å²	110	80.9 Å²	80.9	51%	0.514	46%	0.462	S	S	.	.	H	α-helix	trans	-70.6	-19.9	175.4	-74.4	-164.9	144.6	0	0	113.8	S212 I218 K219	S212-E216 WeakPolarHBondContact O-CB 3.4Å; S212-E216 VanDerWaalsContact O-CG 3.29Å; S212-E216 WeakPolarHBondContact O-CG 3.24Å; S212-E216 PolarHBondContact O-N 3.14Å; E216-I218 PolarHBondContact O-N 2.88Å; E216-K219 HydrophobicContact CG-CD 4.23Å; E216-K219 PolarHBondContact O-N 2.95Å; E216-K219 IonicContact OE1-NZ 3.06Å; E216-K219 PolarHBondContact OE1-NZ 2.91Å
217	G	40.4	Very low	49.2	Very low	47 Å²	47	88.8 Å²	88.8	49%	0.485	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-3	166.3	0	0	0	0	0	115.3	S215	S215-G217 VanDerWaalsContact C-N 3.25Å; S215-G217 PolarHBondContact O-N 2.88Å
218	I	40.4	Very low	46.7	Very low	97 Å²	97	94.7 Å²	94.7	50%	0.497	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-4.4	-179.2	-52.1	178.7	0	0	0	111.8	M177 L179 S215 E216 E220	M177-I218 WeakPolarHBondContact O-CD1 3.43Å; L179-I218 HydrophobicContact CD1-CD1 4.33Å; S215-I218 WeakPolarHBondContact O-CB 3.47Å; S215-I218 PolarHBondContact O-N 3.22Å; S215-I218 VanDerWaalsContact O-N 3.15Å; E216-I218 PolarHBondContact O-N 2.88Å; I218-E220 PolarHBondContact O-N 2.84Å
219	K	31.8	Very low	44	Very low	151 Å²	151	101.5 Å²	101.5	66%	0.657	57%	0.572	S	S	*	*			trans	-89.5	76.5	-178.1	-66.5	179.3	-173.6	167	0	113.2	E216	E216-K219 HydrophobicContact CG-CD 4.23Å; E216-K219 PolarHBondContact O-N 2.95Å; E216-K219 IonicContact OE1-NZ 3.06Å; E216-K219 PolarHBondContact OE1-NZ 2.91Å
220	E	30.4	Very low	41.7	Very low	185 Å²	185	106.8 Å²	106.8	86%	0.864	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-85.2	154.1	153.1	-100.9	-164.7	162.3	0	0	111.2	I218	I218-E220 PolarHBondContact O-N 2.84Å
221	P	28.1	Very low	39.1	Very low	107 Å²	107	112.3 Å²	112.3	70%	0.695	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-81.5	153.5	-152.1	31	-37.1	0	0	0	115.2	V223	P221-V223 PolarHBondContact O-N 3.02Å
222	I	25.6	Very low	36.9	Very low	162 Å²	162	118.8 Å²	118.8	83%	0.831	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-56.3	117.7	170.6	-61.1	164.8	0	0	0	110.2	V224	I222-V224 HydrophobicContact CG2-CG2 4.38Å
223	V	29.1	Very low	34.5	Very low	134 Å²	134	125.8 Å²	125.8	81%	0.812	70%	0.695	S	S	*	*			trans	-130.8	131.1	157.7	-178.2	0	0	0	0	108.8	P221	P221-V223 PolarHBondContact O-N 3.02Å
224	V	26.2	Very low	32.6	Very low	124 Å²	124	126.8 Å²	126.8	75%	0.752	70%	0.702	S	S	*	*			trans	-91.8	129.7	-171.7	173.8	0	0	0	0	111	I222	I222-V224 HydrophobicContact CG2-CG2 4.38Å
225	S	29.1	Very low	30.6	Very low	112 Å²	112	132 Å²	132	78%	0.783	73%	0.726	S	S	*	*				-179.4	137.9	127.9	54	0	0	0	0	112.1
226	S	24.6	Very low	28.8	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	75%	0.753	S	S	*	*			trans	-67.6	141.7	176.2	-48.6	0	0	0	0	112.6
227	D	26	Very low	27.6	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	77%	0.769	S	S	*	*				-159.6	155.7	116.3	-119.1	-28.8	0	0	0	113.4
228	V	24.1	Very low	26.8	Very low	125 Å²	125	141.5 Å²	141.5	76%	0.758	78%	0.781	S	S	*	*			trans	-91.6	126	-172.9	174.9	0	0	0	0	111
229	Q	26	Very low	26	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	80%	0.799	S	S	*	*			trans	-170.6	131.7	135.5	-107.2	161.5	51.3	0	0	116.7
230	H	25.3	Very low	25.9	Very low	178 Å²	178	141.8 Å²	141.8	82%	0.824	81%	0.805	S	S	*	*			trans	46.6	117.4	150.3	-86.4	-92.8	0	0	0	122.8
231	I	21.9	Very low	25.8	Very low	152 Å²	152	144.3 Å²	144.3	78%	0.779	81%	0.807	S	S	*	*			trans	-60.6	132.5	166.9	-59.4	155.6	0	0	0	111.3
232	N	28.7	Very low	26	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	82%	0.815	S	S	*	*			trans	-151.7	121.3	153.6	-96.9	-33.7	0	0	0	108.8
233	M	22.2	Very low	26.3	Very low	181 Å²	181	144 Å²	144	89%	0.892	81%	0.805	S	S	*	*			trans	-110.1	122	-178.8	-164.4	84.4	79.6	0	0	110.4
234	P	26.4	Very low	26.8	Very low	107 Å²	107	148.2 Å²	148.2	70%	0.695	81%	0.813	S	S	*	*			trans	-135.4	125.6	159.6	33.2	-16.6	0	0	0	114.5
235	N	24	Very low	27.4	Very low	143 Å²	143	149.9 Å²	149.9	77%	0.765	81%	0.813	S	S	*	*			trans	40.8	115.3	146.3	-60	-11.9	0	0	0	121.5
236	S	23.1	Very low	27.8	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	80%	0.802	S	S	*	*			trans	31.6	103.2	142.1	64.5	0	0	0	0	118.7
237	I	26.3	Very low	28.3	Very low	164 Å²	164	151 Å²	151	84%	0.841	80%	0.796	S	S	*	*			trans	-126.2	140.9	163.2	-63.4	-177.3	0	0	0	110.2
238	C	24.4	Very low	28.5	Very low	111 Å²	111	149.2 Å²	149.2	75%	0.75	78%	0.778	S	S	*	*			trans	-61.2	160.2	-170.4	-74.8	0	0	0	0	116.1	N240	C238-N240 PolarHBondContact O-N 3.39Å
239	A	23.6	Very low	29.1	Very low	104 Å²	104	150.6 Å²	150.6	86%	0.86	77%	0.774	S	S	*	*			trans	-50	122.8	173	0	0	0	0	0	113.9
240	N	29.9	Very low	29.5	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	77%	0.773	S	S	*	*			trans	-103.8	101.7	167.9	-80.6	-38.6	0	0	0	110.6	C238	C238-N240 PolarHBondContact O-N 3.39Å
241	R	27.8	Very low	29.9	Very low	238 Å²	238	148.7 Å²	148.7	90%	0.898	76%	0.758	S	S	*	*			trans	26.3	96.4	151.1	-61.2	179.1	179.4	177.3	0.4	117.3
242	L	32	Very low	30.4	Very low	165 Å²	165	145.3 Å²	145.3	86%	0.864	74%	0.741	S	S	*	*			trans	-57.8	142.2	159.3	-84.6	155.9	0	0	0	111.6
243	P	32.6	Very low	30.5	Very low	96 Å²	96	144.2 Å²	144.2	62%	0.623	74%	0.735	S	S	*	*			trans	-60.2	139	170.6	-21.7	33.3	0	0	0	111.7	E245	P243-E245 PolarHBondContact O-N 3.08Å; P243-E245 VanDerWaalsContact O-N 3.1Å
244	K	39	Very low	30.8	Very low	223 Å²	223	139.4 Å²	139.4	97%	0.97	72%	0.719	S	S	*	*	S	Bend	trans	-77.5	15.7	-178.3	-84.3	-171.6	171	-173.4	0	115
245	E	38.4	Very low	31	Very low	160 Å²	160	139.1 Å²	139.1	75%	0.748	72%	0.716	S	S	*	*	S	Bend	trans	-136	117.7	-177.4	-164.3	165.7	-154.9	0	0	108.9	P243 Q247	P243-E245 PolarHBondContact O-N 3.08Å; P243-E245 VanDerWaalsContact O-N 3.1Å; E245-Q247 PolarHBondContact O-N 2.79Å
246	N	36.9	Very low	31.3	Very low	105 Å²	105	138.7 Å²	138.7	56%	0.561	71%	0.714	S	S	*	*			trans	-72.8	93	-175.4	-174.6	-10.6	0	0	0	109.8	Y248 K249	N246-Y248 PolarHBondContact O-N 3.28Å; N246-Y248 VanDerWaalsContact O-N 3.14Å; N246-Y248 VanDerWaalsContact OD1-CB 3.31Å; N246-Y248 WeakPolarHBondContact OD1-CB 3.05Å; N246-Y248 VanDerWaalsContact OD1-CD2 3.27Å; N246-Y248 WeakPolarHBondContact OD1-CD2 3.38Å; N246-Y248 PolarHBondContact OD1-N 2.86Å; N246-Y248 VanDerWaalsContact OD1-N 3.15Å; N246-K249 VanDerWaalsContact O-CB 3.25Å; N246-K249 WeakPolarHBondContact O-CB 3.16Å; N246-K249 PolarHBondContact O-N 2.95Å
247	Q	35.5	Very low	31.7	Very low	144 Å²	144	144.5 Å²	144.5	67%	0.673	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-61	-21.5	-178.9	-67.1	-178.2	-10.1	0	0	112.7	E245 K249	E245-Q247 PolarHBondContact O-N 2.79Å; Q247-K249 PolarHBondContact O-N 2.86Å
248	Y	31.4	Very low	32	Very low	126 Å²	126	143.7 Å²	143.7	49%	0.494	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-72	-13.3	175.8	-49.1	-68.9	0	0	0	113.7	N246 R250 I251 L252	N246-Y248 PolarHBondContact O-N 3.28Å; N246-Y248 VanDerWaalsContact O-N 3.14Å; N246-Y248 VanDerWaalsContact OD1-CB 3.31Å; N246-Y248 WeakPolarHBondContact OD1-CB 3.05Å; N246-Y248 VanDerWaalsContact OD1-CD2 3.27Å; N246-Y248 WeakPolarHBondContact OD1-CD2 3.38Å; N246-Y248 PolarHBondContact OD1-N 2.86Å; N246-Y248 VanDerWaalsContact OD1-N 3.15Å; Y248-R250 PolarHBondContact O-N 3.36Å; Y248-R250 VanDerWaalsContact O-N 3.11Å; Y248-I251 HydrophobicContact CD1-CD1 4.01Å; Y248-I251 PolarHBondContact O-N 3.21Å; Y248-L252 PolarHBondContact O-N 3.39Å
249	K	34.9	Very low	32.5	Very low	154 Å²	154	141 Å²	141	67%	0.67	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-64	-16.4	178.1	-151.6	174.4	-165.1	173.6	0	113.8	N246 Q247 N253	N246-K249 VanDerWaalsContact O-CB 3.25Å; N246-K249 WeakPolarHBondContact O-CB 3.16Å; N246-K249 PolarHBondContact O-N 2.95Å; Q247-K249 PolarHBondContact O-N 2.86Å; K249-N253 PolarHBondContact O-ND2 3.3Å
250	R	34.7	Very low	33	Very low	219 Å²	219	143.2 Å²	143.2	83%	0.826	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-26.8	169.6	-69.4	-173.3	-179.8	-177.5	1.8	113.3	Y248 S254	Y248-R250 PolarHBondContact O-N 3.36Å; Y248-R250 VanDerWaalsContact O-N 3.11Å; R250-S254 PolarHBondContact O-N 3.03Å; R250-S254 PolarHBondContact O-OG 3.11Å
251	I	34.5	Very low	33.1	Very low	101 Å²	101	138.4 Å²	138.4	52%	0.518	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-41.8	-176	-61.8	162.9	0	0	0	110.5	Y248 N253 S254	Y248-I251 HydrophobicContact CD1-CD1 4.01Å; Y248-I251 PolarHBondContact O-N 3.21Å; I251-N253 PolarHBondContact O-N 3.01Å; I251-S254 WeakPolarHBondContact CA-OG 3.4Å; I251-S254 PolarHBondContact O-N 3.2Å; I251-S254 PolarHBondContact O-OG 3.38Å
252	L	32	Very low	33.5	Very low	81 Å²	81	129.6 Å²	129.6	42%	0.424	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-15.8	173.8	-65.8	169.4	0	0	0	113.7	Y248 S254 T255	Y248-L252 PolarHBondContact O-N 3.39Å; L252-S254 VanDerWaalsContact C-N 3.35Å; L252-T255 PolarHBondContact O-OG1 3Å; L252-T255 VanDerWaalsContact O-OG1 3.1Å
253	N	30.3	Very low	33.7	Very low	136 Å²	136	125.8 Å²	125.8	73%	0.727	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-3.4	168.9	-85.8	-57.6	0	0	0	113.2	K249 I251	K249-N253 PolarHBondContact O-ND2 3.3Å; I251-N253 PolarHBondContact O-N 3.01Å
254	S	29.2	Very low	33.6	Very low	80 Å²	80	128.2 Å²	128.2	56%	0.559	63%	0.625	S	S	*	*			trans	-110.8	12.8	179.9	62.3	0	0	0	0	113.9	R250 I251 L252 N256	R250-S254 PolarHBondContact O-N 3.03Å; R250-S254 PolarHBondContact O-OG 3.11Å; I251-S254 WeakPolarHBondContact CA-OG 3.4Å; I251-S254 PolarHBondContact O-N 3.2Å; I251-S254 PolarHBondContact O-OG 3.38Å; L252-S254 VanDerWaalsContact C-N 3.35Å; S254-N256 PolarHBondContact O-N 3.28Å; S254-N256 VanDerWaalsContact O-N 3.1Å
255	T	30.9	Very low	33.3	Very low	102 Å²	102	117.6 Å²	117.6	63%	0.626	58%	0.579	S	S	*	*	S	Bend	trans	-56	116.1	163.5	23.7	0	0	0	0	109.2	L252 R257	L252-T255 PolarHBondContact O-OG1 3Å; L252-T255 VanDerWaalsContact O-OG1 3.1Å; T255-R257 PolarHBondContact O-N 3.43Å; T255-R257 VanDerWaalsContact O-N 3.08Å
256	N	29.8	Very low	33.1	Very low	134 Å²	134	111 Å²	111	72%	0.717	55%	0.554	S	S	*	*			trans	-51.7	116.6	175.9	-116.4	-35.5	0	0	0	108.8	S254 N258	S254-N256 PolarHBondContact O-N 3.28Å; S254-N256 VanDerWaalsContact O-N 3.1Å; N256-N258 PolarHBondContact O-N 3.24Å
257	R	30.7	Very low	33.1	Very low	242 Å²	242	109.8 Å²	109.8	91%	0.913	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	19.2	-174.5	-68.5	-177.6	172.9	176.9	-2.8	114.3	T255	T255-R257 PolarHBondContact O-N 3.43Å; T255-R257 VanDerWaalsContact O-N 3.08Å
258	N	32.6	Very low	33.1	Very low	146 Å²	146	104.4 Å²	104.4	78%	0.781	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	19.6	-167.6	-64	9.3	0	0	0	112.4	N256	N256-N258 PolarHBondContact O-N 3.24Å
259	V	35.6	Very low	33.4	Very low	55 Å²	55	101.2 Å²	101.2	33%	0.333	51%	0.513	S	S	.	.	S	Bend	trans	-112.2	110.4	165.9	-175.6	0	0	0	0	106.5	Y209 L261	Y209-V259 HydrophobicContact CE2-CG1 4.17Å; V259-L261 HydrophobicContact CB-CD1 4.33Å; V259-L261 HydrophobicContact CG1-CD1 4.08Å; V259-L261 HydrophobicContact CG1-CG 4.31Å; V259-L261 PolarHBondContact O-N 3.19Å
260	D	33.5	Very low	33.6	Very low	151 Å²	151	100.8 Å²	100.8	81%	0.807	51%	0.507	S	S	*	.			trans	-78	72.3	-176.8	-155.9	14.1	0	0	0	110.2	D262	D260-D262 PolarHBondContact O-N 2.94Å
261	L	33.4	Very low	34	Very low	49 Å²	49	94 Å²	94	26%	0.257	49%	0.487	S	S	.	.			trans	-66	117.9	168.5	-77.6	125.5	0	0	0	108	Y209 V259 S263 V265 F269	Y209-L261 HydrophobicContact CD2-CD2 4.48Å; V259-L261 HydrophobicContact CB-CD1 4.33Å; V259-L261 HydrophobicContact CG1-CD1 4.08Å; V259-L261 HydrophobicContact CG1-CG 4.31Å; V259-L261 PolarHBondContact O-N 3.19Å; L261-S263 PolarHBondContact O-N 3.1Å; L261-V265 HydrophobicContact CD2-CG1 3.78Å; L261-F269 HydrophobicContact CD2-CE2 4.41Å
262	D	35.9	Very low	34.1	Very low	52 Å²	52	90.3 Å²	90.3	28%	0.278	47%	0.468	S	S	.	.			trans	-35.8	127	171.2	179.9	-18.3	0	0	0	110	N199 D260 F264 V265 G266	N199-D262 PolarHBondContact ND2-OD2 3.44Å; D260-D262 PolarHBondContact O-N 2.94Å; D262-F264 PolarHBondContact O-N 3.06Å; D262-F264 PolarHBondContact OD1-N 3.11Å; D262-V265 HydrophobicContact CB-CB 4.42Å; D262-V265 HydrophobicContact CB-CG2 4.16Å; D262-V265 CarbonylContact O-C 3.49Å; D262-V265 WeakPolarHBondContact O-CA 2.95Å; D262-V265 WeakPolarHBondContact O-CB 3.29Å; D262-V265 PolarHBondContact O-N 3.22Å; D262-G266 PolarHBondContact O-N 3.12Å
263	S	36.2	Very low	34.5	Very low	86 Å²	86	91.5 Å²	91.5	60%	0.601	47%	0.472	S	S	*	.	H	α-helix	trans	-48.1	-30	-177.6	66.1	0	0	0	0	113.6	L261 N267	L261-S263 PolarHBondContact O-N 3.1Å; S263-N267 WeakPolarHBondContact O-CB 3.33Å; S263-N267 PolarHBondContact O-N 3Å; S263-N267 PolarHBondContact O-ND2 3.43Å
264	F	30.1	Very low	35.1	Very low	146 Å²	146	90.8 Å²	90.8	64%	0.64	46%	0.462	S	S	*	.	H	α-helix	trans	-68	-43.5	175.2	-139.9	-88.6	0	0	0	112.5	D262 T268	D262-F264 PolarHBondContact O-N 3.06Å; D262-F264 PolarHBondContact OD1-N 3.11Å; F264-T268 WeakPolarHBondContact O-CB 3.46Å; F264-T268 PolarHBondContact O-N 2.94Å; F264-T268 PolarHBondContact O-OG1 3.01Å
265	V	32.6	Very low	35.5	Very low	1 Å²	1	93.4 Å²	93.4	1%	0.006	47%	0.47	C	S	.	.	H	α-helix	trans	-70.6	-46.1	176.5	178.2	0	0	0	0	110.1	L261 D262 N267 T268 F269	L261-V265 HydrophobicContact CD2-CG1 3.78Å; D262-V265 HydrophobicContact CB-CB 4.42Å; D262-V265 HydrophobicContact CB-CG2 4.16Å; D262-V265 CarbonylContact O-C 3.49Å; D262-V265 WeakPolarHBondContact O-CA 2.95Å; D262-V265 WeakPolarHBondContact O-CB 3.29Å; D262-V265 PolarHBondContact O-N 3.22Å; V265-N267 VanDerWaalsContact C-N 3.33Å; V265-N267 PolarHBondContact O-N 2.62Å; V265-T268 PolarHBondContact O-N 3.48Å; V265-F269 HydrophobicContact CG1-CD2 3.76Å; V265-F269 HydrophobicContact CG1-CE2 3.4Å; V265-F269 VanDerWaalsContact CG1-CE2 3.4Å; V265-F269 WeakPolarHBondContact O-CD2 3.27Å; V265-F269 PolarHBondContact O-N 2.84Å
266	G	34.1	Very low	35.8	Very low	21 Å²	21	94.5 Å²	94.5	22%	0.216	47%	0.472	C	S	.	.	H	α-helix	trans	-62.2	-35.1	176.5	0	0	0	0	0	113.8	D262 R270	D262-G266 PolarHBondContact O-N 3.12Å; G266-R270 WeakPolarHBondContact O-CB 3.25Å; G266-R270 PolarHBondContact O-N 2.66Å
267	N	38.2	Very low	36.1	Very low	79 Å²	79	96.1 Å²	96.1	42%	0.422	48%	0.475	S	S	.	.	H	α-helix	trans	-74.9	-39.9	172.7	-71.6	-24.8	0	0	0	111.8	S263 V265 F269 R270 D271	S263-N267 WeakPolarHBondContact O-CB 3.33Å; S263-N267 PolarHBondContact O-N 3Å; S263-N267 PolarHBondContact O-ND2 3.43Å; V265-N267 VanDerWaalsContact C-N 3.33Å; V265-N267 PolarHBondContact O-N 2.62Å; N267-F269 VanDerWaalsContact C-N 3.3Å; N267-F269 PolarHBondContact O-N 3.05Å; N267-R270 CarbonylContact O-C 3.48Å; N267-R270 WeakPolarHBondContact O-CA 3.18Å; N267-R270 PolarHBondContact O-N 3.3Å; N267-D271 PolarHBondContact O-N 3.15Å
268	T	34.4	Very low	36.3	Very low	32 Å²	32	92.3 Å²	92.3	20%	0.196	47%	0.471	C	S	.	.	H	α-helix	trans	-57.3	-43.6	174.6	-59.3	0	0	0	0	111.1	F264 V265 D271 L272	F264-T268 WeakPolarHBondContact O-CB 3.46Å; F264-T268 PolarHBondContact O-N 2.94Å; F264-T268 PolarHBondContact O-OG1 3.01Å; V265-T268 PolarHBondContact O-N 3.48Å; T268-D271 PolarHBondContact O-N 2.96Å; T268-L272 HydrophobicContact CG2-CD1 4.25Å; T268-L272 WeakPolarHBondContact O-CB 3.49Å; T268-L272 VanDerWaalsContact O-CG 3.24Å; T268-L272 WeakPolarHBondContact O-CG 3.13Å; T268-L272 PolarHBondContact O-N 3.06Å
269	F	38.4	Very low	36.3	Very low	58 Å²	58	88.3 Å²	88.3	25%	0.254	46%	0.464	S	S	.	.	H	α-helix	trans	-66.2	-34.8	173.7	-74.7	-58.4	0	0	0	113.8	G206 F210 L261 V265 N267 L272 E273	G206-F269 VanDerWaalsContact C-CZ 3.49Å; G206-F269 VanDerWaalsContact CA-CZ 3.46Å; G206-F269 WeakPolarHBondContact O-CZ 3.47Å; F210-F269 HydrophobicContact CB-CE1 4.41Å; L261-F269 HydrophobicContact CD2-CE2 4.41Å; V265-F269 HydrophobicContact CG1-CD2 3.76Å; V265-F269 HydrophobicContact CG1-CE2 3.4Å; V265-F269 VanDerWaalsContact CG1-CE2 3.4Å; V265-F269 WeakPolarHBondContact O-CD2 3.27Å; V265-F269 PolarHBondContact O-N 2.84Å; N267-F269 VanDerWaalsContact C-N 3.3Å; N267-F269 PolarHBondContact O-N 3.05Å; F269-L272 HydrophobicContact CD1-CD1 4.04Å; F269-L272 HydrophobicContact CE1-CD1 4.36Å; F269-E273 PolarHBondContact O-N 2.88Å
270	R	39.4	Very low	36.1	Very low	146 Å²	146	93.1 Å²	93.1	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-74.4	-23.9	177.1	-160.9	-166.6	-54.7	-105.6	-0.6	113.5	G266 N267	G266-R270 WeakPolarHBondContact O-CB 3.25Å; G266-R270 PolarHBondContact O-N 2.66Å; N267-R270 CarbonylContact O-C 3.48Å; N267-R270 WeakPolarHBondContact O-CA 3.18Å; N267-R270 PolarHBondContact O-N 3.3Å
271	D	41.7	Very low	36	Very low	75 Å²	75	91.5 Å²	91.5	40%	0.401	49%	0.486	S	S	.	.	H	α-helix	trans	-84.8	-37.3	173.3	-69.1	-29.8	0	0	0	110.6	N267 T268 E273 K274 D275	N267-D271 PolarHBondContact O-N 3.15Å; T268-D271 PolarHBondContact O-N 2.96Å; D271-E273 PolarHBondContact O-N 2.74Å; D271-K274 WeakPolarHBondContact O-CB 3.48Å; D271-K274 PolarHBondContact O-N 3.26Å; D271-K274 IonicContact OD1-NZ 2.69Å; D271-K274 PolarHBondContact OD1-NZ 2.69Å; D271-D275 PolarHBondContact O-N 3.12Å; D271-D275 VanDerWaalsContact O-N 3.1Å
272	L	37.1	Very low	35.9	Very low	24 Å²	24	95.6 Å²	95.6	13%	0.126	51%	0.513	C	S	.	.	H	α-helix	trans	-57.2	-34.8	166.1	-72.7	168.8	0	0	0	112.4	P184 T268 F269 K274 D275 L276	P184-L272 HydrophobicContact CB-CD1 4.37Å; P184-L272 HydrophobicContact CB-CD2 4.03Å; T268-L272 HydrophobicContact CG2-CD1 4.25Å; T268-L272 WeakPolarHBondContact O-CB 3.49Å; T268-L272 VanDerWaalsContact O-CG 3.24Å; T268-L272 WeakPolarHBondContact O-CG 3.13Å; T268-L272 PolarHBondContact O-N 3.06Å; F269-L272 HydrophobicContact CD1-CD1 4.04Å; F269-L272 HydrophobicContact CE1-CD1 4.36Å; L272-K274 VanDerWaalsContact C-N 3.26Å; L272-K274 PolarHBondContact O-N 3.16Å; L272-D275 PolarHBondContact O-N 3.41Å; L272-L276 WeakPolarHBondContact O-CD1 3.43Å; L272-L276 PolarHBondContact O-N 3.21Å
273	E	40.3	Very low	35.6	Very low	107 Å²	107	102.7 Å²	102.7	50%	0.5	54%	0.541	S	S	.	.	H	α-helix	trans	-60.7	-32.9	173.6	-170.3	178.5	-164.9	0	0	112.6	F269 D271	F269-E273 PolarHBondContact O-N 2.88Å; D271-E273 PolarHBondContact O-N 2.74Å
274	K	43.5	Very low	35.4	Very low	120 Å²	120	105.1 Å²	105.1	52%	0.522	55%	0.552	S	S	.	*	H	α-helix	trans	-80	-39.5	178.6	-60.2	166.4	-166.8	161.4	0	112.1	D271 L272 L276 E277	D271-K274 WeakPolarHBondContact O-CB 3.48Å; D271-K274 PolarHBondContact O-N 3.26Å; D271-K274 IonicContact OD1-NZ 2.69Å; D271-K274 PolarHBondContact OD1-NZ 2.69Å; L272-K274 VanDerWaalsContact C-N 3.26Å; L272-K274 PolarHBondContact O-N 3.16Å; K274-L276 PolarHBondContact O-N 3.25Å; K274-E277 PolarHBondContact O-N 3.39Å; K274-E277 VanDerWaalsContact O-N 3.11Å
275	D	38	Very low	35.5	Very low	135 Å²	135	108.2 Å²	108.2	72%	0.722	57%	0.566	S	S	*	*	H	α-helix	trans	-70.1	-15.7	179.6	-70.2	-17.4	0	0	0	112.7	D271 L272	D271-D275 PolarHBondContact O-N 3.12Å; D271-D275 VanDerWaalsContact O-N 3.1Å; L272-D275 PolarHBondContact O-N 3.41Å
276	L	36.3	Very low	35.1	Very low	126 Å²	126	111.6 Å²	111.6	66%	0.66	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-4.4	172.1	-94.8	142.2	0	0	0	114.3	L272 K274 I278	L272-L276 WeakPolarHBondContact O-CD1 3.43Å; L272-L276 PolarHBondContact O-N 3.21Å; K274-L276 PolarHBondContact O-N 3.25Å; L276-I278 VanDerWaalsContact C-N 3.29Å; L276-I278 PolarHBondContact O-N 3.32Å
277	E	36.4	Very low	35	Very low	168 Å²	168	118.3 Å²	118.3	79%	0.785	63%	0.63	S	S	*	*			trans	-74	82.3	169.4	-68.9	-159.1	146.3	0	0	110.7	K274 G279	K274-E277 PolarHBondContact O-N 3.39Å; K274-E277 VanDerWaalsContact O-N 3.11Å; E277-G279 PolarHBondContact O-N 2.93Å; E277-G279 VanDerWaalsContact O-N 3.11Å
278	I	35.6	Very low	34.7	Very low	162 Å²	162	123.1 Å²	123.1	83%	0.831	65%	0.65	S	S	*	*			trans	-54.9	116.2	175.5	-63.7	170.4	0	0	0	109.7	L276	L276-I278 VanDerWaalsContact C-N 3.29Å; L276-I278 PolarHBondContact O-N 3.32Å
279	G	32.4	Very low	34.4	Very low	62 Å²	62	127.9 Å²	127.9	64%	0.639	68%	0.679	S	S	*	*			trans	-58.5	154.4	-175.2	0	0	0	0	0	114.9	E277	E277-G279 PolarHBondContact O-N 2.93Å; E277-G279 VanDerWaalsContact O-N 3.11Å
280	D	31.1	Very low	34	Very low	155 Å²	155	132.5 Å²	132.5	83%	0.829	71%	0.706	S	S	*	*			trans	-45.2	132.3	-174.4	-86.3	-48	0	0	0	114.1	V282	D280-V282 PolarHBondContact O-N 3.48Å
281	P	31.6	Very low	33.5	Very low	118 Å²	118	130.3 Å²	130.3	77%	0.766	71%	0.711	S	S	*	*			trans	-66.5	109.4	175.7	26.5	-33.2	0	0	0	110.9	K283	P281-K283 PolarHBondContact O-N 3.04Å
282	V	31.2	Very low	33.2	Very low	135 Å²	135	133.3 Å²	133.3	82%	0.818	73%	0.727	S	S	*	*			trans	-56.6	121.4	176.1	175.9	0	0	0	0	110.2	D280 T284	D280-V282 PolarHBondContact O-N 3.48Å; V282-T284 PolarHBondContact O-N 3.43Å
283	K	30	Very low	32.8	Very low	200 Å²	200	140.1 Å²	140.1	87%	0.87	76%	0.758	S	S	*	*			trans	-64.9	94.7	-176.8	-67.4	173.6	-179.5	169.5	0	112.2	P281 K285	P281-K283 PolarHBondContact O-N 3.04Å; K283-K285 PolarHBondContact O-N 2.86Å; K283-K285 VanDerWaalsContact O-N 3.14Å
284	T	31.6	Very low	32.4	Very low	138 Å²	138	141.1 Å²	141.1	85%	0.847	77%	0.765	S	S	*	*			trans	-68.4	106.4	165	48.6	0	0	0	0	110.1	V282 G286	V282-T284 PolarHBondContact O-N 3.43Å; T284-G286 PolarHBondContact O-N 3.05Å
285	K	30.9	Very low	31.9	Very low	211 Å²	211	142.5 Å²	142.5	92%	0.917	77%	0.773	S	S	*	*			trans	-63.6	120.7	171.9	-72.1	177.1	176.6	175.9	0	110	K283	K283-K285 PolarHBondContact O-N 2.86Å; K283-K285 VanDerWaalsContact O-N 3.14Å
286	G	26.2	Very low	31.5	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	77%	0.768	S	S	*	*			trans	-135	93.1	166.5	0	0	0	0	0	110.6	T284	T284-G286 PolarHBondContact O-N 3.05Å
287	I	30.3	Very low	31.3	Very low	161 Å²	161	144.1 Å²	144.1	83%	0.826	77%	0.774	S	S	*	*			trans	-136.7	108.6	164.1	-60.3	-176	0	0	0	109.1
288	Q	32.5	Very low	31.1	Very low	181 Å²	181	141 Å²	141	85%	0.846	77%	0.77	S	S	*	*			trans	19.5	127.7	143.1	-63	172.6	2.3	0	0	119.6	N290	Q288-N290 PolarHBondContact O-N 3.45Å
289	T	27.9	Very low	31	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	76%	0.763	S	S	*	*			trans	-60.8	118.4	158.8	46.6	0	0	0	0	112.3
290	N	30.7	Very low	31	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	76%	0.764	S	S	*	*				-172.2	148.4	113.8	-97.7	-21.1	0	0	0	112.1	Q288	Q288-N290 PolarHBondContact O-N 3.45Å
291	P	29.2	Very low	31.1	Very low	100 Å²	100	141.4 Å²	141.4	65%	0.649	76%	0.759	S	S	*	*			trans	-91.6	146.4	-176.9	36.4	-33.9	0	0	0	112.4
292	N	34.2	Very low	31.4	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	76%	0.762	S	S	*	*				162.1	138.8	122.5	-81.5	-26.9	0	0	0	112.6
293	H	30	Very low	31.5	Very low	167 Å²	167	142.8 Å²	142.8	77%	0.773	75%	0.754	S	S	*	*			trans	61.1	153.5	158.5	-70.6	-50.6	0	0	0	120.7
294	I	30.4	Very low	31.8	Very low	128 Å²	128	141.4 Å²	141.4	66%	0.656	75%	0.748	S	S	*	*			cis	-160.8	145.9	-43.7	-124.1	-171.9	0	0	0	107.6
295	H	32.5	Very low	31.8	Very low	148 Å²	148	141.7 Å²	141.7	69%	0.685	74%	0.74	S	S	*	*			trans	59.3	105.6	156.6	-81.8	-130.7	0	0	0	123.1
296	N	30.9	Very low	32	Very low	113 Å²	113	137.1 Å²	137.1	60%	0.604	73%	0.725	S	S	*	*				73.2	131.9	101.6	-83.6	-35.8	0	0	0	123.9
297	K	31.5	Very low	32.5	Very low	182 Å²	182	141 Å²	141	79%	0.791	72%	0.724	S	S	*	*			trans	72.8	146.2	150.8	-63	167.6	-178	-177.5	0	114.6
298	S	31.4	Very low	32.7	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	71%	0.714	S	S	*	*			cis	-159.6	121.3	37.7	174.9	0	0	0	0	114.1
299	L	33.5	Very low	32.7	Very low	127 Å²	127	137.7 Å²	137.7	67%	0.665	71%	0.708	S	S	*	*				53	149	129.1	-81.9	74.9	0	0	0	124.2
300	N	33.7	Very low	32.7	Very low	125 Å²	125	138 Å²	138	67%	0.668	71%	0.705	S	S	*	*			trans	86.9	142.7	138.1	-76.8	-5.1	0	0	0	120.6
301	N	33.9	Very low	32.7	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	70%	0.704	S	S	*	*			cis	-172.3	175.8	-25.7	-134.5	-16.6	0	0	0	110.6
302	K	36.4	Very low	32.6	Very low	189 Å²	189	140.3 Å²	140.3	82%	0.822	71%	0.712	S	S	*	*			trans	80.3	145.3	164.9	-65.4	174.2	-178.3	175.9	0	118.3
303	S	33.4	Very low	32.3	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	72%	0.719	S	S	*	*			cis	168.2	149.3	-36.9	48.2	0	0	0	0	109.8
304	K	36.4	Very low	32	Very low	170 Å²	170	138.7 Å²	138.7	74%	0.739	72%	0.716	S	S	*	*			trans	125.2	109.5	154	-71	-166	167.3	-166.5	0	113.9
305	E	32.4	Very low	31.9	Very low	144 Å²	144	140.6 Å²	140.6	67%	0.673	72%	0.724	S	S	*	*				79.2	133.3	80.5	-75.9	172.4	170.9	0	0	111
306	N	34.6	Very low	31.6	Very low	115 Å²	115	138 Å²	138	62%	0.615	72%	0.715	S	S	*	*			cis	-160.3	172.8	18.9	-108.4	-25.4	0	0	0	113.8
307	H	36.7	Very low	31.3	Very low	153 Å²	153	138.5 Å²	138.5	71%	0.708	73%	0.728	S	S	*	*			trans	77.4	141.9	160.8	-57.4	-50.9	0	0	0	120.4
308	N	33.7	Very low	31.1	Very low	115 Å²	115	137.6 Å²	137.6	62%	0.615	72%	0.724	S	S	*	*			cis	-163.2	146.4	-30	-119.7	2.7	0	0	0	112.2
309	H	34.1	Very low	30.9	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.736	72%	0.724	S	S	*	*			trans	50.5	107.1	154.4	-60.4	-53.4	0	0	0	123.4
310	N	27.7	Very low	30.6	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	72%	0.724	S	S	*	*			trans	-13.2	135.5	135	-48.9	-9.3	0	0	0	117.2
311	N	30.1	Very low	30.3	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	74%	0.737	S	S	*	*				-175.4	154.2	97.6	-93.4	-29.7	0	0	0	112.8
312	N	26.6	Very low	30	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	74%	0.737	S	S	*	*			trans	-53.2	141.5	179.9	-55.5	-33.8	0	0	0	113.5
313	L	27.7	Very low	29.5	Very low	171 Å²	171	137.1 Å²	137.1	90%	0.895	73%	0.728	S	S	*	*			trans	-177.6	126.6	136.3	-101.1	158.8	0	0	0	112.1
314	S	24.9	Very low	29.1	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	74%	0.739	S	S	*	*			trans	38.9	114.1	150.3	-159.9	0	0	0	0	121
315	M	27.1	Very low	28.8	Very low	168 Å²	168	135.3 Å²	135.3	83%	0.828	73%	0.73	S	S	*	*			trans	-152.2	92.4	153.6	-112.2	-78.1	129.4	0	0	111.5
316	D	27.2	Very low	28.6	Very low	94 Å²	94	136.4 Å²	136.4	50%	0.503	74%	0.74	S	S	.	*			trans	37	92.6	147.1	-55.1	-19.7	0	0	0	120.5	F318	D316-F318 HydrophobicContact CB-CD2 4.04Å; D316-F318 HydrophobicContact CB-CE2 3.77Å; D316-F318 PolarHBondContact O-N 3.24Å; D316-F318 VanDerWaalsContact O-N 3.12Å
317	S	25	Very low	28.4	Very low	124 Å²	124	135.8 Å²	135.8	87%	0.867	75%	0.745	S	S	*	*			trans	-66.3	100.1	151.5	-63.7	0	0	0	0	110.2	S319	S317-S319 PolarHBondContact O-N 2.76Å; S317-S319 VanDerWaalsContact O-N 3.17Å
318	F	27.5	Very low	28.1	Very low	162 Å²	162	136.4 Å²	136.4	71%	0.711	75%	0.754	S	S	*	*			trans	-68.2	111.7	176	-89.4	-90.2	0	0	0	112	D316 H320	D316-F318 HydrophobicContact CB-CD2 4.04Å; D316-F318 HydrophobicContact CB-CE2 3.77Å; D316-F318 PolarHBondContact O-N 3.24Å; D316-F318 VanDerWaalsContact O-N 3.12Å; F318-H320 AromaticContact CD1-CD2 3.98Å; F318-H320 AromaticContact CD1-NE2 3.78Å
319	S	25.8	Very low	27.8	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	77%	0.765	S	S	*	*			trans	-94.4	104.3	175.5	39.9	0	0	0	0	110.3	S317	S317-S319 PolarHBondContact O-N 2.76Å; S317-S319 VanDerWaalsContact O-N 3.17Å
320	H	27.1	Very low	27.5	Very low	145 Å²	145	139.8 Å²	139.8	67%	0.671	77%	0.771	S	S	*	*			trans	-131.8	55.5	175.7	-77.5	-52.4	0	0	0	113.6	F318	F318-H320 AromaticContact CD1-CD2 3.98Å; F318-H320 AromaticContact CD1-NE2 3.78Å
321	F	27.3	Very low	27.6	Very low	214 Å²	214	140.1 Å²	140.1	94%	0.939	77%	0.771	S	S	*	*			trans	-122.4	73.4	150.2	-92.4	-80.2	0	0	0	109.3	S323	F321-S323 PolarHBondContact O-N 2.88Å
322	T	27.8	Very low	27.4	Very low	120 Å²	120	138.2 Å²	138.2	74%	0.736	77%	0.765	S	S	*	*			trans	-79.6	101.2	168	47.8	0	0	0	0	109.5	V324	T322-V324 PolarHBondContact O-N 3.01Å
323	S	25.5	Very low	27.6	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	77%	0.766	S	S	*	*			trans	-19.1	115.6	153	139.9	0	0	0	0	113.6	F321 S325	F321-S323 PolarHBondContact O-N 2.88Å; S323-S325 VanDerWaalsContact C-N 3.29Å; S323-S325 PolarHBondContact O-N 2.7Å; S323-S325 VanDerWaalsContact OG-CB 3.29Å; S323-S325 WeakPolarHBondContact OG-CB 3.45Å; S323-S325 PolarHBondContact OG-N 2.96Å; S323-S325 PolarHBondContact OG-OG 2.78Å
324	V	26.4	Very low	27.7	Very low	147 Å²	147	137.5 Å²	137.5	89%	0.891	76%	0.762	S	S	*	*			trans	-88.3	79.3	150.9	-174.5	0	0	0	0	106.9	T322	T322-V324 PolarHBondContact O-N 3.01Å
325	S	30.2	Very low	28	Very low	79 Å²	79	141 Å²	141	55%	0.552	77%	0.772	S	S	*	*			trans	-101.1	119.9	169.1	-57	0	0	0	0	108.2	S323 S327	S323-S325 VanDerWaalsContact C-N 3.29Å; S323-S325 PolarHBondContact O-N 2.7Å; S323-S325 VanDerWaalsContact OG-CB 3.29Å; S323-S325 WeakPolarHBondContact OG-CB 3.45Å; S323-S325 PolarHBondContact OG-N 2.96Å; S323-S325 PolarHBondContact OG-OG 2.78Å; S325-S327 PolarHBondContact O-N 2.91Å; S325-S327 PolarHBondContact O-OG 2.92Å
326	D	28	Very low	28.1	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	76%	0.76	S	S	*	*			trans	-58.7	104	171.4	-78.1	-42.4	0	0	0	110.2
327	S	29.4	Very low	28.2	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	77%	0.774	S	S	*	*			trans	-107.4	80.2	179.3	41.9	0	0	0	0	110.1	S325 Q329	S325-S327 PolarHBondContact O-N 2.91Å; S325-S327 PolarHBondContact O-OG 2.92Å; S327-Q329 PolarHBondContact O-N 3.06Å
328	N	31.6	Very low	28.5	Very low	166 Å²	166	143.5 Å²	143.5	89%	0.888	77%	0.768	S	S	*	*			trans	-59.3	106.1	160.4	-88.6	-36.6	0	0	0	108.8	L330	N328-L330 PolarHBondContact O-N 2.83Å
329	Q	26.4	Very low	28.7	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	77%	0.768	S	S	*	*			trans	-67.9	121.7	174.4	-64.7	-174.6	22.5	0	0	110	S327	S327-Q329 PolarHBondContact O-N 3.06Å
330	L	28.5	Very low	28.9	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	77%	0.77	S	S	*	*			trans	-141.6	87.5	158	-128.8	129.6	0	0	0	111.3	N328	N328-L330 PolarHBondContact O-N 2.83Å
331	I	29.5	Very low	29.1	Very low	143 Å²	143	148.2 Å²	148.2	73%	0.733	77%	0.774	S	S	*	*			trans	34.4	104.6	135.4	-55.8	177.8	0	0	0	115.6
332	T	26.9	Very low	29.3	Very low	112 Å²	112	145.2 Å²	145.2	69%	0.687	76%	0.761	S	S	*	*			trans	9.9	124.1	144.3	58.8	0	0	0	0	118
333	N	30.8	Very low	29.5	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	76%	0.761	S	S	*	*				-168.4	142.3	108.9	-94.8	-31.4	0	0	0	113.4
334	N	28.3	Very low	29.8	Very low	151 Å²	151	154 Å²	154	81%	0.807	77%	0.772	S	S	*	*			trans	-63.5	136.4	167.4	-64.1	-53	0	0	0	110
335	L	31.8	Very low	30.1	Very low	173 Å²	173	157.6 Å²	157.6	91%	0.906	78%	0.776	S	S	*	*				178.1	153.8	114.2	-96.6	149.6	0	0	0	112.5
336	S	29.4	Very low	30.1	Very low	83 Å²	83	160.1 Å²	160.1	58%	0.58	78%	0.783	S	S	*	*			trans	-88.1	161.8	-164.8	70.1	0	0	0	0	114.5
337	K	30.1	Very low	30.3	Very low	182 Å²	182	158 Å²	158	79%	0.791	77%	0.772	S	S	*	*			trans	80.7	127.8	144.3	-77.2	163.6	-173	166.8	0	119.4
338	K	31.2	Very low	30.4	Very low	174 Å²	174	159.4 Å²	159.4	76%	0.757	77%	0.772	S	S	*	*			trans	95.6	109.8	138.8	-75.1	176.4	177.1	-176.9	0	120.7
339	F	30.3	Very low	30.5	Very low	159 Å²	159	157.7 Å²	157.7	70%	0.697	76%	0.762	S	S	*	*				78	111.7	127.2	-73.4	-51	0	0	0	122.6
340	K	31.1	Very low	30.7	Very low	174 Å²	174	154.8 Å²	154.8	76%	0.757	75%	0.753	S	S	*	*				62.4	125.8	121.6	-82.2	174.7	-177.5	173	0	120.6
341	K	31.4	Very low	31	Very low	176 Å²	176	153.2 Å²	153.2	77%	0.765	75%	0.745	S	S	*	*			trans	111.6	111.5	132.4	-84.1	177.6	174.8	172.9	0	118.8
342	K	31.7	Very low	31.1	Very low	151 Å²	151	153.5 Å²	153.5	66%	0.657	74%	0.743	S	S	*	*				88.9	126.3	122	-83.6	-174.5	173	-174	0	121.1
343	R	30.5	Very low	31.3	Very low	197 Å²	197	156.9 Å²	156.9	74%	0.743	75%	0.745	S	S	*	*			trans	74.6	109.9	140.9	-71.4	178.4	173.3	178	-6.7	115.6
344	K	31.3	Very low	31.4	Very low	195 Å²	195	156.5 Å²	156.5	85%	0.848	74%	0.738	S	S	*	*				68.4	109.3	81.2	-83.8	-160.5	174.8	-165.6	0	112
345	F	33.1	Very low	31.6	Very low	223 Å²	223	158.2 Å²	158.2	98%	0.978	74%	0.738	S	S	*	*			trans	-142.5	158	147.2	-93.8	-74.9	0	0	0	110.1
346	N	30.9	Very low	31.7	Very low	132 Å²	132	157 Å²	157	71%	0.706	73%	0.731	S	S	*	*			trans	-136.7	143.6	-170.4	-165.9	40	0	0	0	109.5
347	N	32.3	Very low	31.7	Very low	121 Å²	121	159.5 Å²	159.5	65%	0.647	74%	0.738	S	S	*	*			trans	53.3	123.1	161.9	-75.7	-1.1	0	0	0	121.9
348	N	31.3	Very low	31.8	Very low	133 Å²	133	159.9 Å²	159.9	71%	0.711	74%	0.739	S	S	*	*				40.8	127.3	121.8	-63	6.8	0	0	0	118.8
349	N	33.6	Very low	32	Very low	130 Å²	130	156.4 Å²	156.4	70%	0.695	74%	0.737	S	S	*	*				-172.2	156.3	69.4	-110.5	-23.5	0	0	0	113.8
350	N	31.5	Very low	32.1	Very low	122 Å²	122	155.7 Å²	155.7	65%	0.652	74%	0.739	S	S	*	*			trans	64	124.8	141.2	-67.6	-9.8	0	0	0	123.2
351	N	33	Very low	32.3	Very low	130 Å²	130	156.2 Å²	156.2	70%	0.695	74%	0.741	S	S	*	*				95.9	126	121.2	-80.5	-6.5	0	0	0	123
352	Q	32.4	Very low	32.4	Very low	148 Å²	148	154.9 Å²	154.9	69%	0.692	74%	0.738	S	S	*	*				96.1	113	130	-77.5	-176.3	5.8	0	0	122.8
353	Y	30.5	Very low	32.5	Very low	183 Å²	183	155.8 Å²	155.8	72%	0.718	74%	0.742	S	S	*	*				77.8	142.5	128.4	-74.3	-54.8	0	0	0	124.5
354	H	34	Very low	32.7	Very low	149 Å²	149	153.4 Å²	153.4	69%	0.69	74%	0.744	S	S	*	*			trans	71.6	113.1	159.1	-62	-39.5	0	0	0	118
355	K	32	Very low	32.6	Very low	188 Å²	188	152.7 Å²	152.7	82%	0.817	74%	0.743	S	S	*	*				85.3	150.6	64.6	-86.3	-166.8	175.3	179.5	0	113.2
356	I	33.2	Very low	32.7	Very low	148 Å²	148	151.6 Å²	151.6	76%	0.759	74%	0.738	S	S	*	*			trans	100.5	84	162	-48.4	-172.7	0	0	0	117.6
357	N	30.6	Very low	32.6	Very low	134 Å²	134	151.1 Å²	151.1	72%	0.717	74%	0.736	S	S	*	*				59.2	140.7	115.9	-70.7	-18	0	0	0	124.9
358	K	32.6	Very low	32.8	Very low	190 Å²	190	154.6 Å²	154.6	83%	0.826	75%	0.745	S	S	*	*			trans	75.5	142.6	156.8	-65.9	160	-176.9	-177	0	115
359	S	35.2	Very low	33.1	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	75%	0.75	S	S	*	*			cis	-159	135.2	15.1	23	0	0	0	0	114.9
360	I	31.7	Very low	33.4	Very low	144 Å²	144	156.7 Å²	156.7	74%	0.738	75%	0.752	S	S	*	*				50.3	104.2	119.3	-52.6	161	0	0	0	119.9
361	K	35.4	Very low	33.5	Very low	184 Å²	184	157.8 Å²	157.8	80%	0.8	76%	0.757	S	S	*	*			trans	167.1	107.4	130.4	-94.4	157.5	-172.9	-179	0	109.7
362	Q	34.5	Very low	33.6	Very low	148 Å²	148	161.9 Å²	161.9	69%	0.692	76%	0.762	S	S	*	*				93	127.9	82.8	-88.7	-165.3	18.3	0	0	114.4
363	K	33.5	Very low	33.8	Very low	171 Å²	171	162.8 Å²	162.8	74%	0.743	77%	0.766	S	S	*	*			trans	68	115.5	153.9	-66.3	174.8	-178.1	-178.9	0	116.7
364	N	33.9	Very low	34	Very low	146 Å²	146	161 Å²	161	78%	0.781	77%	0.768	S	S	*	*			cis	-157.4	136.7	37.8	-80.4	-37	0	0	0	112.3
365	H	30.5	Very low	33.9	Very low	181 Å²	181	161.6 Å²	161.6	84%	0.838	78%	0.776	S	S	*	*			trans	-76.2	141.1	156.8	-89.2	-97.3	0	0	0	109.5
366	F	33.1	Very low	34	Very low	199 Å²	199	157.6 Å²	157.6	87%	0.873	77%	0.767	S	S	*	*			trans	-138.9	114.3	155.5	-122.1	-85.6	0	0	0	110.1	K368	F366-K368 PolarHBondContact O-N 2.64Å
367	N	30.6	Very low	33.8	Very low	122 Å²	122	157.6 Å²	157.6	65%	0.652	77%	0.769	S	S	*	*			trans	-64.3	128	178.3	-87.1	-25.4	0	0	0	110.7
368	K	35.4	Very low	33.9	Very low	195 Å²	195	160.1 Å²	160.1	85%	0.848	78%	0.776	S	S	*	*			trans	-100	6.2	169.9	-93.5	-178.4	170.7	178.2	0	114.3	F366	F366-K368 PolarHBondContact O-N 2.64Å
369	N	38.7	Very low	34	Very low	153 Å²	153	160.4 Å²	160.4	82%	0.818	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	19.5	-176.8	-69.2	15.6	0	0	0	114.6
370	Q	39.3	Very low	33.8	Very low	154 Å²	154	161.2 Å²	161.2	72%	0.72	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	9.8	178.7	-72.2	-168.8	-8	0	0	114.9
371	L	33.6	Very low	33.7	Very low	145 Å²	145	160.3 Å²	160.3	76%	0.759	79%	0.792	S	S	*	*	S	Bend	trans	-111.3	15.5	-175.2	-115.3	157.4	0	0	0	114.6
372	R	34.5	Very low	33.6	Very low	216 Å²	216	159.6 Å²	159.6	82%	0.815	80%	0.796	S	S	*	*	S	Bend	trans	-111.3	-7.8	175.7	-75.2	-166.8	172.7	-158.3	-0.2	115.7
373	H	36.5	Very low	33.5	Very low	166 Å²	166	159.6 Å²	159.6	77%	0.769	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	13.8	178.4	-84.3	-77.1	0	0	0	115
374	L	34.3	Very low	33.5	Very low	147 Å²	147	158.2 Å²	158.2	77%	0.77	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	8.7	-173.8	-79.1	166.1	0	0	0	114.8
375	L	33.9	Very low	33.5	Very low	161 Å²	161	157.3 Å²	157.3	84%	0.843	80%	0.796	S	S	*	*	S	Bend	trans	-123.5	1.4	-179.1	-81.1	159.6	0	0	0	114.4
376	T	32.4	Very low	33.7	Very low	104 Å²	104	156.7 Å²	156.7	64%	0.638	79%	0.793	S	S	*	*	S	Bend	trans	-115.1	72.7	174.9	49.1	0	0	0	0	109.5
377	N	30.5	Very low	33.8	Very low	148 Å²	148	152.4 Å²	152.4	79%	0.791	79%	0.788	S	S	*	*			trans	-163.3	44.5	172.3	-105.2	-19.3	0	0	0	114.1
378	H	32.8	Very low	34.1	Very low	186 Å²	186	153.6 Å²	153.6	86%	0.861	80%	0.795	S	S	*	*	S	Bend	trans	-140.4	136.6	161.6	-70.9	-54.5	0	0	0	109.7
379	Q	33.1	Very low	34.1	Very low	197 Å²	197	150.4 Å²	150.4	92%	0.921	79%	0.787	S	S	*	*	S	Bend	trans	75.7	55.1	176.3	-56	-177.2	-31.6	0	0	118.2
380	S	31	Very low	33.9	Very low	118 Å²	118	149.1 Å²	149.1	83%	0.825	78%	0.78	S	S	*	*			trans	-168.7	84.8	145.3	33.8	0	0	0	0	112.5
381	S	31.1	Very low	33.7	Very low	126 Å²	126	147.9 Å²	147.9	88%	0.881	78%	0.779	S	S	*	*			trans	-172.6	93.6	158	21.4	0	0	0	0	110.1
382	L	31.9	Very low	33.7	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	78%	0.777	S	S	*	*			trans	-122.5	138.1	155	-98.2	165.3	0	0	0	106.2
383	L	33.7	Very low	33.9	Very low	149 Å²	149	143.3 Å²	143.3	78%	0.78	77%	0.771	S	S	*	*	S	Bend	trans	81.5	96.2	178.4	-54.3	170	0	0	0	116.6
384	N	32.1	Very low	33.7	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	77%	0.773	S	S	*	*			trans	65.6	149.2	132.4	-60.3	17	0	0	0	119.8
385	D	33.5	Very low	33.7	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	77%	0.773	S	S	*	*			cis	175.2	142.8	-31.4	-127.9	-28.2	0	0	0	104.9
386	Q	36.2	Very low	33.9	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	78%	0.776	S	S	*	*			trans	77.9	142.1	154	-63	174.1	4.3	0	0	122.7
387	S	35.5	Very low	34.1	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	78%	0.782	S	S	*	*			trans	67.3	105.5	172.9	64.1	0	0	0	0	116.4
388	D	36	Very low	34.7	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	78%	0.776	S	S	*	*			cis	90.7	124	44.2	-74	-35.7	0	0	0	115.2
389	N	35.5	Very low	35.7	Very low	128 Å²	128	142.9 Å²	142.9	68%	0.684	78%	0.779	S	S	*	*			trans	78.4	105.8	148.7	-69.6	-39.6	0	0	0	121.2
390	N	34.8	Very low	36.7	Very low	127 Å²	127	137 Å²	137	68%	0.679	75%	0.754	S	S	*	*				97.2	117.6	118.7	-71.4	-23.3	0	0	0	120.8
391	N	34	Very low	37.9	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	74%	0.743	S	S	*	*			trans	81.9	113.2	130.5	-70.9	-12.6	0	0	0	120.2
392	N	35.3	Very low	39.9	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	74%	0.74	S	S	*	*				121.5	131.3	125.7	-69.4	-23.3	0	0	0	116.9
393	N	37.6	Very low	42.2	Very low	129 Å²	129	130 Å²	130	69%	0.69	70%	0.704	S	S	*	*			trans	78.4	92	153	-55.3	-20.8	0	0	0	118.4	N395	N393-N395 PolarHBondContact O-N 3.4Å
394	N	32.7	Very low	44.5	Very low	153 Å²	153	125.6 Å²	125.6	82%	0.818	68%	0.681	S	S	*	*				30.4	89	123.1	-56.6	2.4	0	0	0	116.6
395	N	34.3	Very low	46.7	Very low	143 Å²	143	124.4 Å²	124.4	77%	0.765	67%	0.671	S	S	*	*			trans	-139.3	101.6	149.9	-76.2	-49.2	0	0	0	106.5	N393 D397	N393-N395 PolarHBondContact O-N 3.4Å; N395-D397 PolarHBondContact O-N 2.99Å
396	D	37.2	Very low	49	Very low	168 Å²	168	122.8 Å²	122.8	90%	0.898	66%	0.656	S	S	*	*			trans	-81.9	66.6	175.6	-72.9	-43	0	0	0	109.9
397	D	37	Very low	51.4	Low	143 Å²	143	116.6 Å²	116.6	77%	0.765	63%	0.625	S	S	*	*			trans	-145.5	147.9	171.3	-79.3	-55.4	0	0	0	109	N395	N395-D397 PolarHBondContact O-N 2.99Å
398	D	43.3	Very low	54	Low	125 Å²	125	113.3 Å²	113.3	67%	0.668	60%	0.596	S	S	*	*			trans	78.7	37.3	167.5	-68.6	-28.8	0	0	0	122.8	N400 S401	D398-N400 PolarHBondContact O-N 3.07Å; D398-N400 VanDerWaalsContact O-N 3.17Å; D398-S401 VanDerWaalsContact O-CB 3.32Å; D398-S401 WeakPolarHBondContact O-CB 3.29Å; D398-S401 PolarHBondContact O-N 2.96Å; D398-S401 PolarHBondContact O-OG 3.32Å
399	D	52.7	Low	56.4	Low	172 Å²	172	106.3 Å²	106.3	92%	0.92	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-11.2	161.6	-111.7	-4.4	0	0	0	113.8	S401	D399-S401 VanDerWaalsContact C-N 3.33Å
400	N	55.2	Low	58.9	Low	74 Å²	74	102.5 Å²	102.5	40%	0.396	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.2	174.8	-75.2	-38.4	0	0	0	114	D398 N402 I403 R408	D398-N400 PolarHBondContact O-N 3.07Å; D398-N400 VanDerWaalsContact O-N 3.17Å; N400-N402 VanDerWaalsContact C-N 3.29Å; N400-N402 PolarHBondContact O-N 3.4Å; N400-I403 PolarHBondContact O-N 3.2Å; N400-R408 PolarHBondContact O-NH2 3.19Å
401	S	56.3	Low	61.3	Low	86 Å²	86	96.5 Å²	96.5	60%	0.601	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-28	-170.8	52.2	0	0	0	0	114.6	D398 D399 R408	D398-S401 VanDerWaalsContact O-CB 3.32Å; D398-S401 WeakPolarHBondContact O-CB 3.29Å; D398-S401 PolarHBondContact O-N 2.96Å; D398-S401 PolarHBondContact O-OG 3.32Å; D399-S401 VanDerWaalsContact C-N 3.33Å; S401-R408 PolarHBondContact O-NH2 2.88Å
402	N	73.7	Confident	63.4	Low	152 Å²	152	93 Å²	93	81%	0.813	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.9	-173.8	-163.3	21.7	0	0	0	115.2	N400	N400-N402 VanDerWaalsContact C-N 3.29Å; N400-N402 PolarHBondContact O-N 3.4Å
403	I	79.1	Confident	65.6	Low	27 Å²	27	90.5 Å²	90.5	14%	0.138	49%	0.485	C	S	.	.	S	Bend	trans	-83.5	120.4	177.2	-52	173.4	0	0	0	108.6	N400 E405 R408 V416 D418	N400-I403 PolarHBondContact O-N 3.2Å; I403-E405 PolarHBondContact O-N 3.05Å; I403-R408 HydrophobicContact CB-CG 3.93Å; I403-R408 HydrophobicContact CG2-CG 3.56Å; I403-R408 VanDerWaalsContact O-CZ 3.23Å; I403-R408 PolarHBondContact O-NE 3.36Å; I403-R408 PolarHBondContact O-NH2 3.18Å; I403-V416 HydrophobicContact CD1-CG1 4.11Å; I403-D418 HydrophobicContact CD1-CB 4.35Å; I403-D418 HydrophobicContact CG1-CB 4.46Å; I403-D418 HydrophobicContact CG2-CB 3.87Å
404	D	83	Confident	67.5	Low	55 Å²	55	87.1 Å²	87.1	29%	0.294	48%	0.48	S	S	.	.			trans	-55.3	127.2	169.9	168.7	-9	0	0	0	109.5	R406 Y407 R408	D404-R406 PolarHBondContact O-N 3.02Å; D404-R406 VanDerWaalsContact O-N 3.11Å; D404-R406 WeakPolarHBondContact OD1-CB 3.2Å; D404-R406 WeakPolarHBondContact OD1-CG 3.41Å; D404-R406 PolarHBondContact OD1-N 2.72Å; D404-R406 IonicContact OD1-NE 2.7Å; D404-R406 PolarHBondContact OD1-NE 3.17Å; D404-R406 IonicContact OD2-CZ 3.22Å; D404-R406 IonicContact OD2-NE 3.18Å; D404-R406 PolarHBondContact OD2-NE 3.48Å; D404-R406 IonicContact OD2-NH2 2.75Å; D404-R406 PolarHBondContact OD2-NH2 3.5Å; D404-Y407 HydrophobicContact CB-CD2 3.91Å; D404-Y407 HydrophobicContact CB-CE2 4.5Å; D404-Y407 PolarHBondContact O-N 2.67Å; D404-Y407 WeakPolarHBondContact OD2-CE2 3.36Å; D404-R408 PolarHBondContact O-N 2.82Å
405	E	77.8	Confident	69.8	Low	117 Å²	117	85.6 Å²	85.6	55%	0.547	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-57	-30.3	-171.9	-60.5	-164.6	151.1	0	0	113.4	I403 Y407 R408 R455	I403-E405 PolarHBondContact O-N 3.05Å; E405-Y407 PolarHBondContact O-N 3.48Å; E405-Y407 VanDerWaalsContact O-N 3.17Å; E405-R408 PolarHBondContact O-N 3.01Å; E405-R408 IonicContact OE1-NH1 2.93Å; E405-R455 PolarHBondContact O-NH2 3.19Å
406	R	81.6	Confident	72.2	Confident	93 Å²	93	80 Å²	80	35%	0.351	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.6	175.2	-61.5	-178	-66.6	177.4	1.2	112.7	D404 G452 V453 W465 E468	D404-R406 PolarHBondContact O-N 3.02Å; D404-R406 VanDerWaalsContact O-N 3.11Å; D404-R406 WeakPolarHBondContact OD1-CB 3.2Å; D404-R406 WeakPolarHBondContact OD1-CG 3.41Å; D404-R406 PolarHBondContact OD1-N 2.72Å; D404-R406 IonicContact OD1-NE 2.7Å; D404-R406 PolarHBondContact OD1-NE 3.17Å; D404-R406 IonicContact OD2-CZ 3.22Å; D404-R406 IonicContact OD2-NE 3.18Å; D404-R406 PolarHBondContact OD2-NE 3.48Å; D404-R406 IonicContact OD2-NH2 2.75Å; D404-R406 PolarHBondContact OD2-NH2 3.5Å; R406-G452 CarbonylContact O-C 3.53Å; R406-G452 WeakPolarHBondContact O-CA 3.4Å; R406-V453 PolarHBondContact O-N 3.06Å; R406-W465 HydrophobicContact CB-CH2 4.33Å; R406-W465 HydrophobicContact CB-CZ2 3.68Å; R406-W465 HydrophobicContact CG-CZ2 3.83Å; R406-E468 IonicContact NH1-OE2 3.18Å
407	Y	87.5	Confident	74.6	Confident	38 Å²	38	73.7 Å²	73.7	15%	0.149	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-112.1	3	-178	-58.5	-73.7	0	0	0	113.5	D404 E405 L409 V419 R420 V450 M451	D404-Y407 HydrophobicContact CB-CD2 3.91Å; D404-Y407 HydrophobicContact CB-CE2 4.5Å; D404-Y407 PolarHBondContact O-N 2.67Å; D404-Y407 WeakPolarHBondContact OD2-CE2 3.36Å; E405-Y407 PolarHBondContact O-N 3.48Å; E405-Y407 VanDerWaalsContact O-N 3.17Å; Y407-L409 PolarHBondContact O-N 3.23Å; Y407-V419 HydrophobicContact CD1-CG1 3.78Å; Y407-V419 HydrophobicContact CG-CG1 4.32Å; Y407-V419 WeakPolarHBondContact O-CG1 3.43Å; Y407-V419 PolarHBondContact O-N 2.95Å; Y407-R420 HydrophobicContact CD1-CG 3.49Å; Y407-R420 VanDerWaalsContact CD1-CG 3.49Å; Y407-R420 HydrophobicContact CE1-CG 3.95Å; Y407-R420 HydrophobicContact CG-CG 3.92Å; Y407-V450 HydrophobicContact CD1-CG1 4.5Å; Y407-M451 WeakPolarHBondContact CE1-O 3.29Å; Y407-M451 PolarHBondContact OH-O 2.94Å
408	R	88.7	Confident	77	Confident	40 Å²	40	67.2 Å²	67.2	15%	0.151	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.5	178.7	-70.6	-177.4	-171.6	-178	2	111.9	N400 S401 I403 D404 E405 Y410 V416	N400-R408 PolarHBondContact O-NH2 3.19Å; S401-R408 PolarHBondContact O-NH2 2.88Å; I403-R408 HydrophobicContact CB-CG 3.93Å; I403-R408 HydrophobicContact CG2-CG 3.56Å; I403-R408 VanDerWaalsContact O-CZ 3.23Å; I403-R408 PolarHBondContact O-NE 3.36Å; I403-R408 PolarHBondContact O-NH2 3.18Å; D404-R408 PolarHBondContact O-N 2.82Å; E405-R408 PolarHBondContact O-N 3.01Å; E405-R408 IonicContact OE1-NH1 2.93Å; R408-Y410 HydrophobicContact CB-CE2 4.28Å; R408-V416 HydrophobicContact CB-CG1 3.88Å; R408-V416 HydrophobicContact CG-CG1 3.79Å
409	L	87.7	Confident	79	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.8	173.8	-168.8	77.5	0	0	0	109.4	Y407 V417 L422 L432 P433 L435 Q441 V443 V453	Y407-L409 PolarHBondContact O-N 3.23Å; L409-V417 WeakPolarHBondContact CB-O 3.35Å; L409-V417 PolarHBondContact N-O 3.12Å; L409-V417 PolarHBondContact O-N 3.43Å; L409-L422 HydrophobicContact CD2-CD1 3.97Å; L409-L432 HydrophobicContact CD2-CD2 4.25Å; L409-P433 HydrophobicContact CD2-CG 3.82Å; L409-L435 HydrophobicContact CD1-CD2 3.72Å; L409-L435 HydrophobicContact CD2-CD2 3.72Å; L409-L435 HydrophobicContact CG-CD2 3.74Å; L409-Q441 HydrophobicContact CD1-CB 4.25Å; L409-V443 HydrophobicContact CD1-CG2 3.81Å; L409-V453 HydrophobicContact CB-CG2 4.1Å; L409-V453 HydrophobicContact CD1-CG1 3.83Å; L409-V453 HydrophobicContact CD1-CG2 3.95Å
410	Y	86.5	Confident	80.6	Confident	47 Å²	47	59 Å²	59	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.7	176.5	-58.3	-105.6	0	0	0	110.6	R408 V416 D436 Y439 Q441	R408-Y410 HydrophobicContact CB-CE2 4.28Å; Y410-V416 HydrophobicContact CD1-CG2 3.76Å; Y410-V416 HydrophobicContact CE1-CG2 3.69Å; Y410-D436 PolarHBondContact O-N 3.38Å; Y410-Y439 HydrophobicContact CD1-CE1 4.08Å; Y410-Y439 HydrophobicContact CD1-CE2 4.24Å; Y410-Y439 AromaticContact CD1-CZ 3.83Å; Y410-Y439 HydrophobicContact CD2-CD1 4.12Å; Y410-Y439 HydrophobicContact CD2-CE1 4.27Å; Y410-Y439 HydrophobicContact CD2-CG 4.4Å; Y410-Y439 HydrophobicContact CE1-CE1 4.24Å; Y410-Y439 HydrophobicContact CE2-CD1 4.44Å; Y410-Y439 HydrophobicContact CE2-CE1 4.4Å; Y410-Y439 HydrophobicContact CG-CD1 4.23Å; Y410-Y439 HydrophobicContact CG-CD2 4.29Å; Y410-Y439 HydrophobicContact CG-CE1 4.09Å; Y410-Y439 HydrophobicContact CG-CE2 4.14Å; Y410-Y439 HydrophobicContact CG-CG 4.32Å; Y410-Q441 VanDerWaalsContact N-OE1 3.12Å; Y410-Q441 PolarHBondContact O-NE2 3Å
411	T	85.3	Confident	82.1	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-103.2	159.1	-177.6	71.8	0	0	0	0	112.1	S413 G414 E415 V417 P433 K434	T411-S413 PolarHBondContact O-N 3.03Å; T411-S413 VanDerWaalsContact O-N 3.08Å; T411-S413 PolarHBondContact OG1-N 2.76Å; T411-S413 PolarHBondContact OG1-OG 3.33Å; T411-G414 PolarHBondContact O-N 3.25Å; T411-E415 PolarHBondContact N-O 2.97Å; T411-E415 WeakPolarHBondContact OG1-CB 3.47Å; T411-E415 PolarHBondContact OG1-N 3.29Å; T411-E415 VanDerWaalsContact OG1-N 3.12Å; T411-E415 PolarHBondContact OG1-O 2.99Å; T411-V417 HydrophobicContact CG2-CG2 3.72Å; T411-P433 HydrophobicContact CG2-CB 3.76Å; T411-P433 HydrophobicContact CG2-CG 3.56Å; T411-K434 WeakPolarHBondContact CA-O 3.39Å
412	A	79.4	Confident	83.5	Confident	54 Å²	54	59.4 Å²	59.4	45%	0.446	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.5	174.3	0	0	0	0	0	114.2	K434	A412-K434 HydrophobicContact CB-CB 4.34Å; A412-K434 HydrophobicContact CB-CD 4.07Å; A412-K434 HydrophobicContact CB-CG 3.96Å; A412-K434 PolarHBondContact N-O 3.06Å
413	S	81.1	Confident	83.9	Confident	82 Å²	82	57.6 Å²	57.6	57%	0.573	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8	169.1	40.5	0	0	0	0	113.3	T411 E415	T411-S413 PolarHBondContact O-N 3.03Å; T411-S413 VanDerWaalsContact O-N 3.08Å; T411-S413 PolarHBondContact OG1-N 2.76Å; T411-S413 PolarHBondContact OG1-OG 3.33Å; S413-E415 PolarHBondContact OG-OE2 3.11Å
414	G	77.6	Confident	84.2	Confident	58 Å²	58	62.5 Å²	62.5	60%	0.598	32%	0.317	S	S	*	.	S	Bend	trans	82.8	11.2	-172.3	0	0	0	0	0	114	T411	T411-G414 PolarHBondContact O-N 3.25Å
415	E	81.9	Confident	84.2	Confident	122 Å²	122	62.6 Å²	62.6	57%	0.57	32%	0.319	S	S	*	.			trans	-86.4	145.9	176.2	-62.8	166.1	136.6	0	0	110.1	T411 S413	T411-E415 PolarHBondContact N-O 2.97Å; T411-E415 WeakPolarHBondContact OG1-CB 3.47Å; T411-E415 PolarHBondContact OG1-N 3.29Å; T411-E415 VanDerWaalsContact OG1-N 3.12Å; T411-E415 PolarHBondContact OG1-O 2.99Å; S413-E415 PolarHBondContact OG-OE2 3.11Å
416	V	84.5	Confident	84.2	Confident	24 Å²	24	69.6 Å²	69.6	15%	0.145	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.4	170	-176.3	0	0	0	0	107.9	I403 R408 Y410	I403-V416 HydrophobicContact CD1-CG1 4.11Å; R408-V416 HydrophobicContact CB-CG1 3.88Å; R408-V416 HydrophobicContact CG-CG1 3.79Å; Y410-V416 HydrophobicContact CD1-CG2 3.76Å; Y410-V416 HydrophobicContact CE1-CG2 3.69Å
417	V	85.9	Confident	84.2	Confident	37 Å²	37	69.5 Å²	69.5	22%	0.224	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.6	-178.5	-174.8	0	0	0	0	109.9	L409 T411 V419 L422	L409-V417 WeakPolarHBondContact CB-O 3.35Å; L409-V417 PolarHBondContact N-O 3.12Å; L409-V417 PolarHBondContact O-N 3.43Å; T411-V417 HydrophobicContact CG2-CG2 3.72Å; V417-V419 PolarHBondContact O-N 2.94Å; V417-L422 HydrophobicContact CG1-CD2 3.58Å; V417-L422 HydrophobicContact CG1-CG 4.24Å
418	D	88.4	Confident	83.6	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.037	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	112.6	167.5	-177.4	-15.1	0	0	0	109	I403 R420 Q421	I403-D418 HydrophobicContact CD1-CB 4.35Å; I403-D418 HydrophobicContact CG1-CB 4.46Å; I403-D418 HydrophobicContact CG2-CB 3.87Å; D418-R420 PolarHBondContact O-N 3.36Å; D418-R420 VanDerWaalsContact O-N 3.09Å; D418-R420 VanDerWaalsContact OD1-CB 3.22Å; D418-R420 WeakPolarHBondContact OD1-CB 3.43Å; D418-R420 WeakPolarHBondContact OD1-CG 3.5Å; D418-R420 IonicContact OD1-CZ 3.7Å; D418-R420 PolarHBondContact OD1-N 2.89Å; D418-R420 IonicContact OD1-NE 3Å; D418-R420 PolarHBondContact OD1-NE 2.78Å; D418-R420 IonicContact OD1-NH2 3.21Å; D418-R420 IonicContact OD2-CZ 2.64Å; D418-R420 IonicContact OD2-NE 3.93Å; D418-R420 PolarHBondContact OD2-NE 3.22Å; D418-R420 IonicContact OD2-NH2 3.9Å; D418-R420 PolarHBondContact OD2-NH2 3.46Å; D418-Q421 HydrophobicContact CB-CB 4.33Å; D418-Q421 HydrophobicContact CB-CG 3.87Å; D418-Q421 WeakPolarHBondContact O-CB 3.22Å; D418-Q421 PolarHBondContact O-N 3.17Å; D418-Q421 PolarHBondContact OD2-NE2 2.76Å
419	V	86	Confident	83.1	Confident	1 Å²	1	77 Å²	77	1%	0.006	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-58.2	-24.8	-178.1	68.2	0	0	0	0	113.1	Y407 V417 Q421 L422 V443 V450 V453	Y407-V419 HydrophobicContact CD1-CG1 3.78Å; Y407-V419 HydrophobicContact CG-CG1 4.32Å; Y407-V419 WeakPolarHBondContact O-CG1 3.43Å; Y407-V419 PolarHBondContact O-N 2.95Å; V417-V419 PolarHBondContact O-N 2.94Å; V419-Q421 VanDerWaalsContact C-N 3.27Å; V419-Q421 PolarHBondContact O-N 2.87Å; V419-L422 HydrophobicContact CB-CD1 4.42Å; V419-L422 HydrophobicContact CG2-CD1 3.88Å; V419-L422 PolarHBondContact O-N 2.85Å; V419-V443 HydrophobicContact CG2-CB 4.2Å; V419-V443 HydrophobicContact CG2-CG1 3.53Å; V419-V443 HydrophobicContact CG2-CG2 3.56Å; V419-V450 HydrophobicContact CB-CG1 4.28Å; V419-V450 HydrophobicContact CG1-CB 4.49Å; V419-V450 HydrophobicContact CG1-CG1 3.44Å; V419-V450 VanDerWaalsContact CG1-CG1 3.44Å; V419-V450 HydrophobicContact CG2-CG1 3.87Å; V419-V453 HydrophobicContact CB-CG2 3.93Å; V419-V453 HydrophobicContact CG1-CG2 3.86Å; V419-V453 HydrophobicContact CG2-CG2 4.32Å
420	R	85.2	Confident	82.8	Confident	124 Å²	124	78.5 Å²	78.5	47%	0.468	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-71.5	-23.9	177.1	-55.4	171	-65.8	-174.6	8.1	112.2	Y407 D418	Y407-R420 HydrophobicContact CD1-CG 3.49Å; Y407-R420 VanDerWaalsContact CD1-CG 3.49Å; Y407-R420 HydrophobicContact CE1-CG 3.95Å; Y407-R420 HydrophobicContact CG-CG 3.92Å; D418-R420 PolarHBondContact O-N 3.36Å; D418-R420 VanDerWaalsContact O-N 3.09Å; D418-R420 VanDerWaalsContact OD1-CB 3.22Å; D418-R420 WeakPolarHBondContact OD1-CB 3.43Å; D418-R420 WeakPolarHBondContact OD1-CG 3.5Å; D418-R420 IonicContact OD1-CZ 3.7Å; D418-R420 PolarHBondContact OD1-N 2.89Å; D418-R420 IonicContact OD1-NE 3Å; D418-R420 PolarHBondContact OD1-NE 2.78Å; D418-R420 IonicContact OD1-NH2 3.21Å; D418-R420 IonicContact OD2-CZ 2.64Å; D418-R420 IonicContact OD2-NE 3.93Å; D418-R420 PolarHBondContact OD2-NE 3.22Å; D418-R420 IonicContact OD2-NH2 3.9Å; D418-R420 PolarHBondContact OD2-NH2 3.46Å
421	Q	86	Confident	82.7	Confident	142 Å²	142	79.9 Å²	79.9	66%	0.664	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-93.1	0.3	-178.5	-56.4	-178.9	31.1	0	0	112.9	D418 V419	D418-Q421 HydrophobicContact CB-CB 4.33Å; D418-Q421 HydrophobicContact CB-CG 3.87Å; D418-Q421 WeakPolarHBondContact O-CB 3.22Å; D418-Q421 PolarHBondContact O-N 3.17Å; D418-Q421 PolarHBondContact OD2-NE2 2.76Å; V419-Q421 VanDerWaalsContact C-N 3.27Å; V419-Q421 PolarHBondContact O-N 2.87Å
422	L	86.5	Confident	82.6	Confident	26 Å²	26	83.7 Å²	83.7	14%	0.136	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-68.5	137.6	179.1	-70.6	177.7	0	0	0	112.4	L409 V417 V419 I430 L432	L409-L422 HydrophobicContact CD2-CD1 3.97Å; V417-L422 HydrophobicContact CG1-CD2 3.58Å; V417-L422 HydrophobicContact CG1-CG 4.24Å; V419-L422 HydrophobicContact CB-CD1 4.42Å; V419-L422 HydrophobicContact CG2-CD1 3.88Å; V419-L422 PolarHBondContact O-N 2.85Å; L422-I430 HydrophobicContact CB-CG2 3.49Å; L422-I430 VanDerWaalsContact CB-CG2 3.49Å; L422-I430 HydrophobicContact CD1-CG2 3.69Å; L422-I430 HydrophobicContact CG-CG2 4.26Å; L422-L432 HydrophobicContact CD1-CD2 3.79Å
423	N	82.6	Confident	82.8	Confident	113 Å²	113	83.1 Å²	83.1	60%	0.604	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-58.3	141.6	177.5	-69.2	-64.8	0	0	0	111.5	V431	N423-V431 HydrophobicContact CB-CB 4.47Å; N423-V431 WeakPolarHBondContact O-CB 3.25Å; N423-V431 WeakPolarHBondContact O-CG2 3.11Å; N423-V431 PolarHBondContact O-N 3.25Å
424	R	84.9	Confident	82.8	Confident	131 Å²	131	87.7 Å²	87.7	49%	0.494	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-102.9	141.9	171.9	-67.6	177.6	177.4	-156.2	-13.3	110.7	R429 I430 G448	R424-R429 CarbonylContact C-O 3.53Å; R424-R429 VanDerWaalsContact CA-O 3.31Å; R424-R429 WeakPolarHBondContact CA-O 3.38Å; R424-I430 HydrophobicContact CG-CG1 4.3Å; R424-G448 PolarHBondContact NH1-O 3.22Å; R424-G448 PolarHBondContact NH2-O 3.25Å
425	T	82.4	Confident	83.1	Confident	56 Å²	56	87.5 Å²	87.5	34%	0.344	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69.8	167.4	170	67.7	0	0	0	0	110.5	S427 G428 R429 V431	T425-S427 PolarHBondContact O-N 2.86Å; T425-S427 PolarHBondContact OG1-N 2.88Å; T425-S427 PolarHBondContact OG1-OG 2.95Å; T425-G428 PolarHBondContact O-N 3.3Å; T425-R429 HydrophobicContact CG2-CB 4.32Å; T425-R429 PolarHBondContact N-O 3.08Å; T425-R429 PolarHBondContact OG1-N 2.95Å; T425-R429 VanDerWaalsContact OG1-N 3.16Å; T425-R429 PolarHBondContact OG1-O 2.89Å; T425-V431 HydrophobicContact CG2-CG2 3.77Å
426	R	78.6	Confident	82.8	Confident	264 Å²	264	82.2 Å²	82.2	100%	0.996	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.3	170.1	-173.4	176.7	175.8	-161.7	-1.9	113.6
427	S	82.1	Confident	82.4	Confident	91 Å²	91	86 Å²	86	64%	0.636	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	10.6	175.2	54.2	0	0	0	0	114.1	T425 R429	T425-S427 PolarHBondContact O-N 2.86Å; T425-S427 PolarHBondContact OG1-N 2.88Å; T425-S427 PolarHBondContact OG1-OG 2.95Å; S427-R429 PolarHBondContact O-N 2.64Å
428	G	74.9	Confident	81.9	Confident	45 Å²	45	93.3 Å²	93.3	46%	0.464	45%	0.45	S	S	.	.	S	Bend	trans	76.4	0.2	179	0	0	0	0	0	115.2	T425	T425-G428 PolarHBondContact O-N 3.3Å
429	R	77.6	Confident	81	Confident	191 Å²	191	97.5 Å²	97.5	72%	0.721	47%	0.466	S	S	*	.			trans	-73.5	139.9	177.3	-60.2	-177	-178.9	-179.7	-1.7	110.1	R424 T425 S427	R424-R429 CarbonylContact C-O 3.53Å; R424-R429 VanDerWaalsContact CA-O 3.31Å; R424-R429 WeakPolarHBondContact CA-O 3.38Å; T425-R429 HydrophobicContact CG2-CB 4.32Å; T425-R429 PolarHBondContact N-O 3.08Å; T425-R429 PolarHBondContact OG1-N 2.95Å; T425-R429 VanDerWaalsContact OG1-N 3.16Å; T425-R429 PolarHBondContact OG1-O 2.89Å; S427-R429 PolarHBondContact O-N 2.64Å
430	I	81.8	Confident	80.7	Confident	31 Å²	31	103.1 Å²	103.1	16%	0.159	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-76.3	135	175.6	-58.8	-175.3	0	0	0	109.6	L422 R424 L432 L445 V450	L422-I430 HydrophobicContact CB-CG2 3.49Å; L422-I430 VanDerWaalsContact CB-CG2 3.49Å; L422-I430 HydrophobicContact CD1-CG2 3.69Å; L422-I430 HydrophobicContact CG-CG2 4.26Å; R424-I430 HydrophobicContact CG-CG1 4.3Å; I430-L432 HydrophobicContact CG2-CD2 4.17Å; I430-L432 PolarHBondContact O-N 3.26Å; I430-L445 HydrophobicContact CD1-CD2 3.74Å; I430-V450 HydrophobicContact CD1-CG2 3.32Å
431	V	84.3	Confident	80.5	Confident	76 Å²	76	98.1 Å²	98.1	46%	0.461	47%	0.474	S	S	.	.			trans	-86.4	98.7	173.8	-178.3	0	0	0	0	108.3	N423 T425	N423-V431 HydrophobicContact CB-CB 4.47Å; N423-V431 WeakPolarHBondContact O-CB 3.25Å; N423-V431 WeakPolarHBondContact O-CG2 3.11Å; N423-V431 PolarHBondContact O-N 3.25Å; T425-V431 HydrophobicContact CG2-CG2 3.77Å
432	L	84	Confident	80.3	Confident	83 Å²	83	94.4 Å²	94.4	44%	0.435	46%	0.464	S	S	.	.			trans	-76.1	137.4	175.9	-61.4	175.9	0	0	0	110.6	L409 L422 I430 V443	L409-L432 HydrophobicContact CD2-CD2 4.25Å; L422-L432 HydrophobicContact CD1-CD2 3.79Å; I430-L432 HydrophobicContact CG2-CD2 4.17Å; I430-L432 PolarHBondContact O-N 3.26Å; L432-V443 HydrophobicContact CD2-CB 4.3Å; L432-V443 HydrophobicContact CD2-CG2 3.61Å
433	P	82.2	Confident	80.1	Confident	42 Å²	42	94.5 Å²	94.5	27%	0.273	47%	0.466	S	S	.	.			trans	-66.5	168.1	165	31.1	-35.1	0	0	0	110.7	L409 T411 L435	L409-P433 HydrophobicContact CD2-CG 3.82Å; T411-P433 HydrophobicContact CG2-CB 3.76Å; T411-P433 HydrophobicContact CG2-CG 3.56Å; P433-L435 PolarHBondContact O-N 3.36Å
434	K	82.5	Confident	80.1	Confident	177 Å²	177	90.6 Å²	90.6	77%	0.77	45%	0.446	S	S	*	.			trans	-63.2	113.7	169	-173.2	178.8	179.4	-176.8	0	108.3	T411 A412	T411-K434 WeakPolarHBondContact CA-O 3.39Å; A412-K434 HydrophobicContact CB-CB 4.34Å; A412-K434 HydrophobicContact CB-CD 4.07Å; A412-K434 HydrophobicContact CB-CG 3.96Å; A412-K434 PolarHBondContact N-O 3.06Å
435	L	82.7	Confident	79.8	Confident	54 Å²	54	88.8 Å²	88.8	28%	0.283	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-70.5	149.9	-178.8	-54.6	-174.3	0	0	0	110.8	L409 P433 Q441	L409-L435 HydrophobicContact CD1-CD2 3.72Å; L409-L435 HydrophobicContact CD2-CD2 3.72Å; L409-L435 HydrophobicContact CG-CD2 3.74Å; P433-L435 PolarHBondContact O-N 3.36Å; L435-Q441 WeakPolarHBondContact CD1-O 3.34Å
436	D	76.7	Confident	79.5	Confident	11 Å²	11	90.8 Å²	90.8	6%	0.059	45%	0.454	C	S	.	.			trans	-78.8	116.4	166.2	-170.2	-24.2	0	0	0	109.1	Y410 R438 Y439	Y410-D436 PolarHBondContact O-N 3.38Å; D436-R438 PolarHBondContact O-N 3.21Å; D436-R438 VanDerWaalsContact OD1-CB 3.25Å; D436-R438 WeakPolarHBondContact OD1-CB 3.33Å; D436-R438 VanDerWaalsContact OD1-CG 3.22Å; D436-R438 WeakPolarHBondContact OD1-CG 3.43Å; D436-R438 IonicContact OD1-CZ 3.96Å; D436-R438 PolarHBondContact OD1-N 2.73Å; D436-R438 IonicContact OD1-NE 2.82Å; D436-R438 PolarHBondContact OD1-NE 3.47Å; D436-R438 IonicContact OD2-CZ 2.83Å; D436-R438 IonicContact OD2-NE 2.84Å; D436-R438 PolarHBondContact OD2-NE 2.74Å; D436-R438 IonicContact OD2-NH2 2.81Å; D436-R438 PolarHBondContact OD2-NH2 3.18Å; D436-Y439 HydrophobicContact CB-CD2 3.78Å; D436-Y439 HydrophobicContact CB-CE2 4.17Å; D436-Y439 PolarHBondContact O-N 2.93Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.2Å
437	S	75.2	Confident	79.3	Confident	105 Å²	105	81.6 Å²	81.6	73%	0.734	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.5	-178.2	47.3	0	0	0	0	113	Y439 E440	S437-Y439 PolarHBondContact O-N 3.43Å; S437-E440 PolarHBondContact O-N 2.84Å
438	R	74.9	Confident	78.8	Confident	190 Å²	190	79.3 Å²	79.3	72%	0.717	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-65	-18.6	-178.7	-61.3	178.6	-68.2	173.1	-1.3	114.3	D436	D436-R438 PolarHBondContact O-N 3.21Å; D436-R438 VanDerWaalsContact OD1-CB 3.25Å; D436-R438 WeakPolarHBondContact OD1-CB 3.33Å; D436-R438 VanDerWaalsContact OD1-CG 3.22Å; D436-R438 WeakPolarHBondContact OD1-CG 3.43Å; D436-R438 IonicContact OD1-CZ 3.96Å; D436-R438 PolarHBondContact OD1-N 2.73Å; D436-R438 IonicContact OD1-NE 2.82Å; D436-R438 PolarHBondContact OD1-NE 3.47Å; D436-R438 IonicContact OD2-CZ 2.83Å; D436-R438 IonicContact OD2-NE 2.84Å; D436-R438 PolarHBondContact OD2-NE 2.74Å; D436-R438 IonicContact OD2-NH2 2.81Å; D436-R438 PolarHBondContact OD2-NH2 3.18Å
439	Y	70.9	Confident	78.8	Confident	95 Å²	95	83.3 Å²	83.3	37%	0.373	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-106.9	-2.4	-175.4	-64.8	-91.5	0	0	0	113.8	Y410 D436 S437 Q441	Y410-Y439 HydrophobicContact CD1-CE1 4.08Å; Y410-Y439 HydrophobicContact CD1-CE2 4.24Å; Y410-Y439 AromaticContact CD1-CZ 3.83Å; Y410-Y439 HydrophobicContact CD2-CD1 4.12Å; Y410-Y439 HydrophobicContact CD2-CE1 4.27Å; Y410-Y439 HydrophobicContact CD2-CG 4.4Å; Y410-Y439 HydrophobicContact CE1-CE1 4.24Å; Y410-Y439 HydrophobicContact CE2-CD1 4.44Å; Y410-Y439 HydrophobicContact CE2-CE1 4.4Å; Y410-Y439 HydrophobicContact CG-CD1 4.23Å; Y410-Y439 HydrophobicContact CG-CD2 4.29Å; Y410-Y439 HydrophobicContact CG-CE1 4.09Å; Y410-Y439 HydrophobicContact CG-CE2 4.14Å; Y410-Y439 HydrophobicContact CG-CG 4.32Å; D436-Y439 HydrophobicContact CB-CD2 3.78Å; D436-Y439 HydrophobicContact CB-CE2 4.17Å; D436-Y439 PolarHBondContact O-N 2.93Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.2Å; S437-Y439 PolarHBondContact O-N 3.43Å; Y439-Q441 VanDerWaalsContact C-N 3.25Å; Y439-Q441 PolarHBondContact O-N 3.05Å; Y439-Q441 VanDerWaalsContact O-N 3.12Å
440	E	78	Confident	79.1	Confident	119 Å²	119	75.2 Å²	75.2	56%	0.556	41%	0.411	S	S	*	.			trans	44	49.7	176	-59.8	-172.3	157.2	0	0	113.4	S437 N456	S437-E440 PolarHBondContact O-N 2.84Å; E440-N456 HydrophobicContact CB-CB 3.6Å; E440-N456 PolarHBondContact O-N 2.75Å; E440-N456 VanDerWaalsContact OE2-CB 3.29Å; E440-N456 WeakPolarHBondContact OE2-CB 3.42Å; E440-N456 PolarHBondContact OE2-ND2 3.37Å
441	Q	82.9	Confident	79	Confident	18 Å²	18	75.6 Å²	75.6	8%	0.084	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.6	-172.8	-74.8	158.5	-165	0	0	113.1	L409 Y410 L435 Y439 V453 S454 R455	L409-Q441 HydrophobicContact CD1-CB 4.25Å; Y410-Q441 VanDerWaalsContact N-OE1 3.12Å; Y410-Q441 PolarHBondContact O-NE2 3Å; L435-Q441 WeakPolarHBondContact CD1-O 3.34Å; Y439-Q441 VanDerWaalsContact C-N 3.25Å; Y439-Q441 PolarHBondContact O-N 3.05Å; Y439-Q441 VanDerWaalsContact O-N 3.12Å; Q441-V453 HydrophobicContact CB-CG1 3.89Å; Q441-V453 HydrophobicContact CG-CG1 3.78Å; Q441-S454 WeakPolarHBondContact CA-O 3.32Å; Q441-R455 HydrophobicContact CG-CG 4.42Å
442	S	81.9	Confident	79.1	Confident	64 Å²	64	72 Å²	72	45%	0.448	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.7	164.3	64.9	0	0	0	0	111.3	V453 S454	S442-V453 CarbonylContact O-C 3.59Å; S442-V453 WeakPolarHBondContact O-CA 3.49Å; S442-S454 PolarHBondContact N-O 3.12Å; S442-S454 PolarHBondContact O-N 2.9Å
443	V	81.7	Confident	79	Confident	28 Å²	28	68.3 Å²	68.3	17%	0.17	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118	176.8	173.6	0	0	0	0	109.5	L409 V419 L432 L445 V450 V453	L409-V443 HydrophobicContact CD1-CG2 3.81Å; V419-V443 HydrophobicContact CG2-CB 4.2Å; V419-V443 HydrophobicContact CG2-CG1 3.53Å; V419-V443 HydrophobicContact CG2-CG2 3.56Å; L432-V443 HydrophobicContact CD2-CB 4.3Å; L432-V443 HydrophobicContact CD2-CG2 3.61Å; V443-L445 HydrophobicContact CG1-CD2 3.84Å; V443-L445 HydrophobicContact CG1-CG 4.26Å; V443-V450 HydrophobicContact CG1-CG1 3.99Å; V443-V453 HydrophobicContact CG2-CG2 4.46Å
444	V	82.3	Confident	79	Confident	32 Å²	32	66.9 Å²	66.9	19%	0.194	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.4	-178.2	-172.2	0	0	0	0	109.2	M451 G452 L462 W465	V444-M451 HydrophobicContact CB-CB 4.12Å; V444-M451 HydrophobicContact CG1-CB 3.91Å; V444-M451 HydrophobicContact CG1-CG 4.27Å; V444-M451 PolarHBondContact O-N 3.45Å; V444-G452 PolarHBondContact N-O 3.27Å; V444-L462 HydrophobicContact CG1-CD2 4.18Å; V444-L462 HydrophobicContact CG2-CD2 3.73Å; V444-W465 HydrophobicContact CB-CE3 4.39Å; V444-W465 HydrophobicContact CB-CZ3 4.12Å; V444-W465 HydrophobicContact CG2-CE3 4.42Å; V444-W465 HydrophobicContact CG2-CZ3 3.91Å
445	L	78.9	Confident	78.7	Confident	93 Å²	93	61 Å²	61	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.2	-177.4	-59.9	178.2	0	0	0	111.1	I430 V443 H449 V450	I430-L445 HydrophobicContact CD1-CD2 3.74Å; V443-L445 HydrophobicContact CG1-CD2 3.84Å; V443-L445 HydrophobicContact CG1-CG 4.26Å; L445-H449 CarbonylContact C-O 3.39Å; L445-H449 VanDerWaalsContact CA-O 3.29Å; L445-H449 WeakPolarHBondContact CA-O 3.35Å; L445-V450 HydrophobicContact CD2-CB 4.34Å; L445-V450 HydrophobicContact CD2-CG2 3.83Å
446	N	75.3	Confident	77.7	Confident	98 Å²	98	63.6 Å²	63.6	52%	0.524	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.3	170	-174.6	10.3	0	0	0	109.5	G448 H449 M451	N446-G448 PolarHBondContact O-N 2.76Å; N446-H449 PolarHBondContact N-O 3.21Å; N446-H449 WeakPolarHBondContact O-CA 3.11Å; N446-H449 WeakPolarHBondContact O-CB 3.29Å; N446-H449 PolarHBondContact O-N 3.48Å; N446-M451 HydrophobicContact CB-CG 3.66Å; N446-M451 HydrophobicContact CB-SD 3.63Å
447	G	74.4	Confident	76.5	Confident	71 Å²	71	68.5 Å²	68.5	73%	0.732	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	29.7	-179.3	0	0	0	0	0	114.9	H449	G447-H449 VanDerWaalsContact C-N 3.29Å; G447-H449 PolarHBondContact O-N 2.93Å; G447-H449 PolarHBondContact O-ND1 3.17Å
448	G	72.6	Confident	75.2	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	4	-174.4	0	0	0	0	0	115.6	R424 N446	R424-G448 PolarHBondContact NH1-O 3.22Å; R424-G448 PolarHBondContact NH2-O 3.25Å; N446-G448 PolarHBondContact O-N 2.76Å
449	H	75	Confident	74	Confident	128 Å²	128	63.1 Å²	63.1	59%	0.593	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.9	170.6	-60.6	81.6	0	0	0	109.9	L445 N446 G447	L445-H449 CarbonylContact C-O 3.39Å; L445-H449 VanDerWaalsContact CA-O 3.29Å; L445-H449 WeakPolarHBondContact CA-O 3.35Å; N446-H449 PolarHBondContact N-O 3.21Å; N446-H449 WeakPolarHBondContact O-CA 3.11Å; N446-H449 WeakPolarHBondContact O-CB 3.29Å; N446-H449 PolarHBondContact O-N 3.48Å; G447-H449 VanDerWaalsContact C-N 3.29Å; G447-H449 PolarHBondContact O-N 2.93Å; G447-H449 PolarHBondContact O-ND1 3.17Å
450	V	82.2	Confident	72.7	Confident	22 Å²	22	66.6 Å²	66.6	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.3	178.4	-172.4	0	0	0	0	109.3	Y407 V419 I430 V443 L445	Y407-V450 HydrophobicContact CD1-CG1 4.5Å; V419-V450 HydrophobicContact CB-CG1 4.28Å; V419-V450 HydrophobicContact CG1-CB 4.49Å; V419-V450 HydrophobicContact CG1-CG1 3.44Å; V419-V450 VanDerWaalsContact CG1-CG1 3.44Å; V419-V450 HydrophobicContact CG2-CG1 3.87Å; I430-V450 HydrophobicContact CD1-CG2 3.32Å; V443-V450 HydrophobicContact CG1-CG1 3.99Å; L445-V450 HydrophobicContact CD2-CB 4.34Å; L445-V450 HydrophobicContact CD2-CG2 3.83Å
451	M	81.5	Confident	71.3	Confident	39 Å²	39	63.2 Å²	63.2	19%	0.192	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-36.4	172.4	-58.5	-51.5	-58.7	0	0	110.6	Y407 V444 N446 W465 S469	Y407-M451 WeakPolarHBondContact CE1-O 3.29Å; Y407-M451 PolarHBondContact OH-O 2.94Å; V444-M451 HydrophobicContact CB-CB 4.12Å; V444-M451 HydrophobicContact CG1-CB 3.91Å; V444-M451 HydrophobicContact CG1-CG 4.27Å; V444-M451 PolarHBondContact O-N 3.45Å; N446-M451 HydrophobicContact CB-CG 3.66Å; N446-M451 HydrophobicContact CB-SD 3.63Å; M451-W465 HydrophobicContact CB-CE3 3.95Å; M451-S469 WeakPolarHBondContact CE-OG 3.31Å
452	G	85.4	Confident	69.5	Low	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-157.2	173.2	0	0	0	0	0	112.4	R406 V444 W465	R406-G452 CarbonylContact O-C 3.53Å; R406-G452 WeakPolarHBondContact O-CA 3.4Å; V444-G452 PolarHBondContact N-O 3.27Å; G452-W465 VanDerWaalsContact C-CZ3 3.5Å
453	V	82.4	Confident	67.6	Low	6 Å²	6	67.4 Å²	67.4	4%	0.036	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.4	175.7	-176	0	0	0	0	108.8	R406 L409 V419 Q441 S442 V443 W465	R406-V453 PolarHBondContact O-N 3.06Å; L409-V453 HydrophobicContact CB-CG2 4.1Å; L409-V453 HydrophobicContact CD1-CG1 3.83Å; L409-V453 HydrophobicContact CD1-CG2 3.95Å; V419-V453 HydrophobicContact CB-CG2 3.93Å; V419-V453 HydrophobicContact CG1-CG2 3.86Å; V419-V453 HydrophobicContact CG2-CG2 4.32Å; Q441-V453 HydrophobicContact CB-CG1 3.89Å; Q441-V453 HydrophobicContact CG-CG1 3.78Å; S442-V453 CarbonylContact O-C 3.59Å; S442-V453 WeakPolarHBondContact O-CA 3.49Å; V443-V453 HydrophobicContact CG2-CG2 4.46Å; V453-W465 WeakPolarHBondContact O-CH2 3.49Å
454	S	81.2	Confident	65.9	Low	11 Å²	11	68.2 Å²	68.2	8%	0.077	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	144	168.2	-174.1	0	0	0	0	109.5	Q441 S442 L462	Q441-S454 WeakPolarHBondContact CA-O 3.32Å; S442-S454 PolarHBondContact N-O 3.12Å; S442-S454 PolarHBondContact O-N 2.9Å; S454-L462 WeakPolarHBondContact OG-CD1 3.44Å
455	R	76.3	Confident	64.2	Low	53 Å²	53	67.3 Å²	67.3	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.1	171.9	-56.8	178.9	-165.9	156.6	10.4	106.6	E405 Q441 T457 D458	E405-R455 PolarHBondContact O-NH2 3.19Å; Q441-R455 HydrophobicContact CG-CG 4.42Å; R455-T457 PolarHBondContact O-N 3.07Å; R455-D458 PolarHBondContact O-N 3.12Å
456	N	62.2	Low	62.6	Low	109 Å²	109	68 Å²	68	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	1.2	-174.2	-149.5	27	0	0	0	114.6	E440	E440-N456 HydrophobicContact CB-CB 3.6Å; E440-N456 PolarHBondContact O-N 2.75Å; E440-N456 VanDerWaalsContact OE2-CB 3.29Å; E440-N456 WeakPolarHBondContact OE2-CB 3.42Å; E440-N456 PolarHBondContact OE2-ND2 3.37Å
457	T	51.4	Low	61.2	Low	114 Å²	114	66.4 Å²	66.4	70%	0.699	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-21.3	173.4	43.9	0	0	0	0	114.1	R455	R455-T457 PolarHBondContact O-N 3.07Å
458	D	48.6	Very low	60	Low	77 Å²	77	68.7 Å²	68.7	41%	0.412	38%	0.377	S	S	.	.			trans	-136.2	64	-161.2	-56.2	-73	0	0	0	113.7	R455 Q460 T461	R455-D458 PolarHBondContact O-N 3.12Å; D458-Q460 PolarHBondContact O-N 2.85Å; D458-T461 WeakPolarHBondContact CB-OG1 3.5Å; D458-T461 WeakPolarHBondContact O-CB 3.41Å; D458-T461 PolarHBondContact O-N 2.93Å; D458-T461 PolarHBondContact O-OG1 3.45Å
459	D	47.9	Very low	58.6	Low	106 Å²	106	69.8 Å²	69.8	57%	0.567	38%	0.378	S	S	*	.	H	α-helix	trans	-52.2	-27.5	173.5	-75.3	-26.6	0	0	0	113.8	T461 L462	D459-T461 PolarHBondContact O-N 3.49Å; D459-L462 PolarHBondContact O-N 2.78Å
460	Q	44.6	Very low	57.2	Low	167 Å²	167	68.3 Å²	68.3	78%	0.78	38%	0.382	S	S	*	.	H	α-helix	trans	-63.2	-29.8	176.9	-61.3	-174.6	21.7	0	0	112.3	D458 I463 S464	D458-Q460 PolarHBondContact O-N 2.85Å; Q460-I463 PolarHBondContact O-N 3.17Å; Q460-S464 PolarHBondContact O-N 3.46Å; Q460-S464 VanDerWaalsContact O-N 3.16Å
461	T	48.4	Very low	55.3	Low	48 Å²	48	71.7 Å²	71.7	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-69.9	-39.3	-179.8	-10.8	0	0	0	0	112.1	D458 D459 I463 S464 W465	D458-T461 WeakPolarHBondContact CB-OG1 3.5Å; D458-T461 WeakPolarHBondContact O-CB 3.41Å; D458-T461 PolarHBondContact O-N 2.93Å; D458-T461 PolarHBondContact O-OG1 3.45Å; D459-T461 PolarHBondContact O-N 3.49Å; T461-I463 VanDerWaalsContact C-N 3.33Å; T461-I463 PolarHBondContact O-N 3.41Å; T461-S464 PolarHBondContact O-N 2.94Å; T461-S464 PolarHBondContact O-OG 3.09Å; T461-W465 HydrophobicContact CG2-CZ2 3.91Å; T461-W465 VanDerWaalsContact O-CD1 3.25Å; T461-W465 PolarHBondContact O-N 3.46Å
462	L	46.3	Very low	53.1	Low	54 Å²	54	82.5 Å²	82.5	28%	0.283	46%	0.457	S	S	.	.	H	α-helix	trans	-60.6	-42.2	176.1	-88.1	166.1	0	0	0	111.9	V444 S454 D459 W465 V466	V444-L462 HydrophobicContact CG1-CD2 4.18Å; V444-L462 HydrophobicContact CG2-CD2 3.73Å; S454-L462 WeakPolarHBondContact OG-CD1 3.44Å; D459-L462 PolarHBondContact O-N 2.78Å; L462-W465 PolarHBondContact O-N 2.83Å; L462-V466 PolarHBondContact O-N 3.42Å
463	I	41.1	Very low	51.5	Low	116 Å²	116	86.7 Å²	86.7	60%	0.595	48%	0.48	S	S	*	.	H	α-helix	trans	-66.6	-38.7	178.9	-60.4	172.3	0	0	0	110.9	Q460 T461 S467	Q460-I463 PolarHBondContact O-N 3.17Å; T461-I463 VanDerWaalsContact C-N 3.33Å; T461-I463 PolarHBondContact O-N 3.41Å; I463-S467 WeakPolarHBondContact O-CB 3.49Å; I463-S467 PolarHBondContact O-N 2.99Å; I463-S467 PolarHBondContact O-OG 3Å
464	S	45.4	Very low	49.9	Very low	46 Å²	46	90.9 Å²	90.9	32%	0.322	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-41.5	178.4	71.5	0	0	0	0	112.9	Q460 T461 V466 S467 E468	Q460-S464 PolarHBondContact O-N 3.46Å; Q460-S464 VanDerWaalsContact O-N 3.16Å; T461-S464 PolarHBondContact O-N 2.94Å; T461-S464 PolarHBondContact O-OG 3.09Å; S464-V466 PolarHBondContact O-N 2.81Å; S464-S467 WeakPolarHBondContact O-CB 3.43Å; S464-S467 PolarHBondContact O-N 3.16Å; S464-S467 VanDerWaalsContact O-N 3.17Å; S464-E468 PolarHBondContact O-N 3.33Å
465	W	47.1	Very low	48.2	Very low	13 Å²	13	95.3 Å²	95.3	5%	0.049	53%	0.527	C	S	.	.	H	α-helix	trans	-71.5	-34.9	-174.7	-59.7	-5.2	0	0	0	113.3	R406 V444 M451 G452 V453 T461 L462 S467 S469	R406-W465 HydrophobicContact CB-CH2 4.33Å; R406-W465 HydrophobicContact CB-CZ2 3.68Å; R406-W465 HydrophobicContact CG-CZ2 3.83Å; V444-W465 HydrophobicContact CB-CE3 4.39Å; V444-W465 HydrophobicContact CB-CZ3 4.12Å; V444-W465 HydrophobicContact CG2-CE3 4.42Å; V444-W465 HydrophobicContact CG2-CZ3 3.91Å; M451-W465 HydrophobicContact CB-CE3 3.95Å; G452-W465 VanDerWaalsContact C-CZ3 3.5Å; V453-W465 WeakPolarHBondContact O-CH2 3.49Å; T461-W465 HydrophobicContact CG2-CZ2 3.91Å; T461-W465 VanDerWaalsContact O-CD1 3.25Å; T461-W465 PolarHBondContact O-N 3.46Å; L462-W465 PolarHBondContact O-N 2.83Å; W465-S467 VanDerWaalsContact C-N 3.3Å; W465-S469 WeakPolarHBondContact O-CB 3.22Å; W465-S469 PolarHBondContact O-N 2.91Å; W465-S469 PolarHBondContact O-OG 3.39Å
466	V	46.3	Very low	46.5	Very low	106 Å²	106	97.8 Å²	97.8	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-69.4	-32.7	173.6	-179	0	0	0	0	110.7	L462 S464 S470	L462-V466 PolarHBondContact O-N 3.42Å; S464-V466 PolarHBondContact O-N 2.81Å; V466-S470 PolarHBondContact O-OG 3.05Å
467	S	45	Very low	45.5	Very low	66 Å²	66	97.1 Å²	97.1	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-74.8	-43.4	178.7	-54.9	0	0	0	0	112.7	I463 S464 W465 S469 S470	I463-S467 WeakPolarHBondContact O-CB 3.49Å; I463-S467 PolarHBondContact O-N 2.99Å; I463-S467 PolarHBondContact O-OG 3Å; S464-S467 WeakPolarHBondContact O-CB 3.43Å; S464-S467 PolarHBondContact O-N 3.16Å; S464-S467 VanDerWaalsContact O-N 3.17Å; W465-S467 VanDerWaalsContact C-N 3.3Å; S467-S469 VanDerWaalsContact C-N 3.29Å; S467-S469 PolarHBondContact O-N 3.28Å; S467-S470 PolarHBondContact O-N 2.84Å; S467-S470 PolarHBondContact O-OG 2.7Å; S467-S470 VanDerWaalsContact O-OG 3.05Å
468	E	48.9	Very low	45.1	Very low	118 Å²	118	96 Å²	96	55%	0.551	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-35	175.2	-71.8	-176.4	144.3	0	0	111.8	R406 S464 S470 S471	R406-E468 IonicContact NH1-OE2 3.18Å; S464-E468 PolarHBondContact O-N 3.33Å; E468-S470 PolarHBondContact O-N 3.24Å; E468-S471 PolarHBondContact O-OG 3.47Å
469	S	44.2	Very low	44.9	Very low	66 Å²	66	97.4 Å²	97.4	46%	0.462	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.2	179.9	-57.5	0	0	0	0	115.2	M451 W465 S467	M451-S469 WeakPolarHBondContact CE-OG 3.31Å; W465-S469 WeakPolarHBondContact O-CB 3.22Å; W465-S469 PolarHBondContact O-N 2.91Å; W465-S469 PolarHBondContact O-OG 3.39Å; S467-S469 VanDerWaalsContact C-N 3.29Å; S467-S469 PolarHBondContact O-N 3.28Å
470	S	44.4	Very low	44.7	Very low	97 Å²	97	96.7 Å²	96.7	68%	0.678	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	19.1	-175	43.3	0	0	0	0	113.5	V466 S467 E468	V466-S470 PolarHBondContact O-OG 3.05Å; S467-S470 PolarHBondContact O-N 2.84Å; S467-S470 PolarHBondContact O-OG 2.7Å; S467-S470 VanDerWaalsContact O-OG 3.05Å; E468-S470 PolarHBondContact O-N 3.24Å
471	S	42.9	Very low	44.7	Very low	94 Å²	94	90.8 Å²	90.8	66%	0.657	52%	0.52	S	S	*	.			trans	-125	26.4	-173.3	63.3	0	0	0	0	115.6	E468	E468-S471 PolarHBondContact O-OG 3.47Å
472	Q	36	Very low	44.3	Very low	266 Å²	266	94.7 Å²	94.7	100%	1.243	54%	0.54	S	S	*	.			trans	-128.2	0	169.9	-76.2	-168.3	-15	0	0	112.1

Retrieved 472 of 472 residues in 636.2 ms (Link to these results)

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