G4VQ29_SCHMA Loading...

CABIT domain-containing protein

AlphaFold DB , UniProt , Accession G4VQ29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 574 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	36.4	Very low	114 Å²	114	96.5 Å²	96.5	56%	0.562	51%	0.509	S	S	*	.				0	-47	0	-106.2	-161.4	-170.4	0	0	112.1	E3 F4	M1-E3 PolarHBondContact N-OE2 2.86Å; M1-E3 PolarHBondContact O-N 3.11Å; M1-F4 PolarHBondContact O-N 3.1Å
2	Y	31.1	Very low	36.6	Very low	211 Å²	211	92.7 Å²	92.7	83%	0.827	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-56.5	-34	172.5	-87.7	-84	0	0	0	112.3	F4 R5 S6	Y2-F4 VanDerWaalsContact C-N 3.33Å; Y2-F4 PolarHBondContact O-N 3.45Å; Y2-R5 WeakPolarHBondContact O-CA 3.46Å; Y2-R5 PolarHBondContact O-N 3.34Å; Y2-S6 PolarHBondContact O-N 3.28Å
3	E	34.9	Very low	37.2	Very low	96 Å²	96	88.2 Å²	88.2	45%	0.449	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-62.8	-31.4	179	-60.2	112.6	143.2	0	0	114.6	M1 R5 S6 G7 Y356	M1-E3 PolarHBondContact N-OE2 2.86Å; M1-E3 PolarHBondContact O-N 3.11Å; E3-R5 PolarHBondContact O-N 2.93Å; E3-R5 VanDerWaalsContact O-N 3.08Å; E3-S6 WeakPolarHBondContact CA-OG 3.36Å; E3-S6 PolarHBondContact O-N 3.07Å; E3-S6 PolarHBondContact O-OG 2.94Å; E3-G7 PolarHBondContact O-N 3.31Å; E3-Y356 PolarHBondContact OE1-OH 3.05Å
4	F	36.7	Very low	37.7	Very low	57 Å²	57	86.4 Å²	86.4	25%	0.25	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-59.7	-19.8	172.2	-82.4	-69	0	0	0	113.2	M1 Y2 Y13 I15 L36 T354	M1-F4 PolarHBondContact O-N 3.1Å; Y2-F4 VanDerWaalsContact C-N 3.33Å; Y2-F4 PolarHBondContact O-N 3.45Å; F4-Y13 HydrophobicContact CD1-CD1 4.24Å; F4-Y13 AromaticContact CD1-CD2 3.8Å; F4-Y13 HydrophobicContact CD1-CD2 3.8Å; F4-Y13 HydrophobicContact CD1-CE2 4.31Å; F4-Y13 AromaticContact CD1-CG 3.77Å; F4-Y13 HydrophobicContact CD1-CG 3.77Å; F4-Y13 HydrophobicContact CE1-CD2 4.11Å; F4-Y13 AromaticContact CE1-CG 3.85Å; F4-Y13 HydrophobicContact CE1-CG 3.85Å; F4-I15 HydrophobicContact CD1-CD1 4.33Å; F4-I15 HydrophobicContact CE1-CD1 3.68Å; F4-I15 HydrophobicContact CE2-CD1 3.98Å; F4-I15 HydrophobicContact CZ-CB 4.15Å; F4-I15 HydrophobicContact CZ-CD1 3.45Å; F4-I15 VanDerWaalsContact CZ-CD1 3.45Å; F4-I15 HydrophobicContact CZ-CG1 4.33Å; F4-I15 HydrophobicContact CZ-CG2 3.97Å; F4-L36 HydrophobicContact CE1-CB 4.12Å; F4-L36 HydrophobicContact CE1-CD1 4.18Å; F4-L36 HydrophobicContact CE2-CD1 4.47Å; F4-L36 HydrophobicContact CZ-CB 4.34Å; F4-L36 HydrophobicContact CZ-CD1 3.54Å; F4-L36 HydrophobicContact CZ-CG 4.47Å; F4-T354 HydrophobicContact CD2-CG2 4.23Å; F4-T354 HydrophobicContact CE2-CG2 3.46Å; F4-T354 VanDerWaalsContact CE2-CG2 3.46Å; F4-T354 HydrophobicContact CZ-CG2 4.22Å
5	R	37.3	Very low	38.6	Very low	231 Å²	231	81.9 Å²	81.9	87%	0.872	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-105	-0.9	178.8	-62.8	-174.1	171.8	-152.9	-4.7	113.1	Y2 E3	Y2-R5 WeakPolarHBondContact O-CA 3.46Å; Y2-R5 PolarHBondContact O-N 3.34Å; E3-R5 PolarHBondContact O-N 2.93Å; E3-R5 VanDerWaalsContact O-N 3.08Å
6	S	40	Very low	39.6	Very low	97 Å²	97	80.8 Å²	80.8	68%	0.678	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-18.3	177.5	69.6	0	0	0	0	114	Y2 E3	Y2-S6 PolarHBondContact O-N 3.28Å; E3-S6 WeakPolarHBondContact CA-OG 3.36Å; E3-S6 PolarHBondContact O-N 3.07Å; E3-S6 PolarHBondContact O-OG 2.94Å
7	G	36.4	Very low	40.6	Very low	32 Å²	32	76.2 Å²	76.2	33%	0.33	40%	0.398	S	S	.	.	S	Bend	trans	-72.4	165.9	163.6	0	0	0	0	0	111.8	E3 Y13	E3-G7 PolarHBondContact O-N 3.31Å; G7-Y13 WeakPolarHBondContact CA-OH 3.27Å; G7-Y13 PolarHBondContact O-OH 2.96Å
8	S	39	Very low	41.5	Very low	69 Å²	69	74.2 Å²	74.2	48%	0.483	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-67.9	132.4	-179	29.5	0	0	0	0	111.6	T11 Y13	S8-T11 WeakPolarHBondContact O-CB 3.33Å; S8-T11 WeakPolarHBondContact O-CG2 3.15Å; S8-T11 PolarHBondContact O-N 2.79Å; S8-T11 PolarHBondContact O-OG1 3.33Å; S8-T11 WeakPolarHBondContact OG-CG2 3.2Å; S8-Y13 PolarHBondContact O-OH 2.99Å
9	P	37.3	Very low	42.5	Very low	62 Å²	62	70.4 Å²	70.4	40%	0.403	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	144.4	-179.5	29.3	-38.7	0	0	0	111.4	T11 M393	P9-T11 PolarHBondContact O-N 3.29Å; P9-M393 HydrophobicContact CB-CE 4.18Å; P9-M393 HydrophobicContact CB-SD 3.95Å; P9-M393 HydrophobicContact CG-CB 3.68Å; P9-M393 HydrophobicContact CG-CE 4.2Å; P9-M393 HydrophobicContact CG-CG 4.25Å; P9-M393 HydrophobicContact CG-SD 3.93Å
10	G	39.2	Very low	43.4	Very low	41 Å²	41	73.1 Å²	73.1	42%	0.423	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-5.5	-172.6	0	0	0	0	0	114.7
11	T	35.5	Very low	44.2	Very low	52 Å²	52	75 Å²	75	32%	0.319	38%	0.378	S	S	.	.			trans	-69	143.9	168.7	56.4	0	0	0	0	111.7	S8 P9 Y13	S8-T11 WeakPolarHBondContact O-CB 3.33Å; S8-T11 WeakPolarHBondContact O-CG2 3.15Å; S8-T11 PolarHBondContact O-N 2.79Å; S8-T11 PolarHBondContact O-OG1 3.33Å; S8-T11 WeakPolarHBondContact OG-CG2 3.2Å; P9-T11 PolarHBondContact O-N 3.29Å; T11-Y13 VanDerWaalsContact O-CD2 3.29Å; T11-Y13 WeakPolarHBondContact O-CD2 3.45Å; T11-Y13 WeakPolarHBondContact O-CE2 3.42Å; T11-Y13 PolarHBondContact O-N 3.13Å; T11-Y13 WeakPolarHBondContact OG1-CE2 3.32Å; T11-Y13 PolarHBondContact OG1-OH 2.83Å
12	T	39.2	Very low	45.6	Very low	50 Å²	50	75 Å²	75	31%	0.307	39%	0.389	S	S	.	.			trans	-76.3	109.1	170.6	-67.3	0	0	0	0	109.1	L14 M35 M366	T12-L14 PolarHBondContact O-N 3.45Å; T12-M35 HydrophobicContact CG2-CG 3.49Å; T12-M35 VanDerWaalsContact CG2-CG 3.49Å; T12-M35 HydrophobicContact CG2-SD 3.33Å; T12-M35 WeakPolarHBondContact CG2-SD 3.45Å; T12-M366 HydrophobicContact CG2-CE 3.65Å
13	Y	44	Very low	47	Very low	35 Å²	35	66.9 Å²	66.9	14%	0.137	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.9	176.1	-66.2	-83.7	0	0	0	110.5	F4 G7 S8 T11 I15 L36	F4-Y13 HydrophobicContact CD1-CD1 4.24Å; F4-Y13 AromaticContact CD1-CD2 3.8Å; F4-Y13 HydrophobicContact CD1-CD2 3.8Å; F4-Y13 HydrophobicContact CD1-CE2 4.31Å; F4-Y13 AromaticContact CD1-CG 3.77Å; F4-Y13 HydrophobicContact CD1-CG 3.77Å; F4-Y13 HydrophobicContact CE1-CD2 4.11Å; F4-Y13 AromaticContact CE1-CG 3.85Å; F4-Y13 HydrophobicContact CE1-CG 3.85Å; G7-Y13 WeakPolarHBondContact CA-OH 3.27Å; G7-Y13 PolarHBondContact O-OH 2.96Å; S8-Y13 PolarHBondContact O-OH 2.99Å; T11-Y13 VanDerWaalsContact O-CD2 3.29Å; T11-Y13 WeakPolarHBondContact O-CD2 3.45Å; T11-Y13 WeakPolarHBondContact O-CE2 3.42Å; T11-Y13 PolarHBondContact O-N 3.13Å; T11-Y13 WeakPolarHBondContact OG1-CE2 3.32Å; T11-Y13 PolarHBondContact OG1-OH 2.83Å; Y13-I15 PolarHBondContact O-N 2.64Å; Y13-I15 VanDerWaalsContact O-N 3.1Å; Y13-L36 PolarHBondContact O-N 3.22Å
14	L	44.5	Very low	48.1	Very low	63 Å²	63	62.4 Å²	62.4	33%	0.33	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	85	176.2	-164.9	161.4	0	0	0	108.4	T12 T357 Y362 M366	T12-L14 PolarHBondContact O-N 3.45Å; L14-T357 VanDerWaalsContact CD2-OG1 3.28Å; L14-T357 WeakPolarHBondContact CD2-OG1 3.39Å; L14-Y362 HydrophobicContact CD2-CD1 3.92Å; L14-Y362 HydrophobicContact CD2-CE1 3.39Å; L14-Y362 HydrophobicContact CG-CD1 4.3Å; L14-Y362 HydrophobicContact CG-CE1 3.78Å; L14-M366 HydrophobicContact CB-CE 4.06Å; L14-M366 HydrophobicContact CD1-CE 4.26Å; L14-M366 HydrophobicContact CD1-CG 4.21Å; L14-M366 HydrophobicContact CG-CE 3.92Å; L14-M366 HydrophobicContact CG-CG 4.19Å; L14-M366 HydrophobicContact CG-SD 4.41Å
15	I	50.4	Low	48.9	Very low	18 Å²	18	68.2 Å²	68.2	9%	0.092	38%	0.377	C	S	.	.			trans	-134.7	114.4	-170.2	-71.9	-177.6	0	0	0	110.7	F4 Y13 A17 L36 T354 G355	F4-I15 HydrophobicContact CD1-CD1 4.33Å; F4-I15 HydrophobicContact CE1-CD1 3.68Å; F4-I15 HydrophobicContact CE2-CD1 3.98Å; F4-I15 HydrophobicContact CZ-CB 4.15Å; F4-I15 HydrophobicContact CZ-CD1 3.45Å; F4-I15 VanDerWaalsContact CZ-CD1 3.45Å; F4-I15 HydrophobicContact CZ-CG1 4.33Å; F4-I15 HydrophobicContact CZ-CG2 3.97Å; Y13-I15 PolarHBondContact O-N 2.64Å; Y13-I15 VanDerWaalsContact O-N 3.1Å; I15-A17 PolarHBondContact O-N 2.99Å; I15-A17 VanDerWaalsContact O-N 3.14Å; I15-L36 HydrophobicContact CB-CD1 4.39Å; I15-L36 HydrophobicContact CG2-CD1 4.19Å; I15-T354 HydrophobicContact CD1-CG2 4.38Å; I15-T354 HydrophobicContact CG2-CG2 3.76Å; I15-G355 WeakPolarHBondContact CA-O 3.49Å
16	K	54.6	Low	49.9	Very low	65 Å²	65	58.5 Å²	58.5	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	106.9	166.3	166.6	169.9	167.9	148.2	0	109.1	I18 D32 Q353 G355 T357	K16-I18 HydrophobicContact CG-CG1 4.48Å; K16-D32 VanDerWaalsContact CE-CG 3.43Å; K16-D32 WeakPolarHBondContact CE-OD1 3.47Å; K16-D32 WeakPolarHBondContact CE-OD2 3.48Å; K16-D32 HydrophobicContact CG-CB 4.5Å; K16-D32 IonicContact NZ-OD1 3.33Å; K16-D32 PolarHBondContact NZ-OD1 3.24Å; K16-D32 IonicContact NZ-OD2 3.76Å; K16-D32 PolarHBondContact NZ-OD2 2.86Å; K16-Q353 VanDerWaalsContact O-O 3.09Å; K16-G355 PolarHBondContact N-O 2.86Å; K16-G355 PolarHBondContact O-N 3.28Å; K16-T357 HydrophobicContact CB-CG2 3.81Å; K16-T357 HydrophobicContact CD-CG2 4.31Å
17	A	57.1	Low	50.6	Low	2 Å²	2	56.3 Å²	56.3	2%	0.017	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.5	178.1	0	0	0	0	0	111.8	I15 S33 L36 F352 Q353	I15-A17 PolarHBondContact O-N 2.99Å; I15-A17 VanDerWaalsContact O-N 3.14Å; A17-S33 WeakPolarHBondContact CA-OG 3.47Å; A17-S33 WeakPolarHBondContact CB-OG 3.42Å; A17-S33 PolarHBondContact N-OG 3.1Å; A17-S33 PolarHBondContact O-OG 3.43Å; A17-L36 HydrophobicContact CB-CD1 3.85Å; A17-F352 HydrophobicContact CB-CD1 4.35Å; A17-Q353 WeakPolarHBondContact CA-O 3.41Å
18	I	57.5	Low	51.6	Low	40 Å²	40	55 Å²	55	21%	0.205	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135	179.5	-60.1	163.5	0	0	0	109.7	K16 K20	K16-I18 HydrophobicContact CG-CG1 4.48Å; I18-K20 PolarHBondContact O-N 3.33Å
19	C	59.8	Low	52.5	Low	2 Å²	2	56.8 Å²	56.8	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	110.6	167.8	-174.5	0	0	0	0	111	C24 L28 H350	C19-C24 HydrophobicContact CB-CB 4.23Å; C19-C24 WeakPolarHBondContact CB-SG 3.48Å; C19-C24 WeakPolarHBondContact SG-CB 3.28Å; C19-C24 CovalentContact SG-SG 2.06Å; C19-C24 PolarHBondContact SG-SG 2.59Å; C19-L28 PolarHBondContact N-O 3.07Å; C19-H350 PolarHBondContact SG-CD2 3.04Å
20	K	59.6	Low	53.5	Low	124 Å²	124	60 Å²	60	54%	0.539	33%	0.327	S	S	.	.			trans	-92.1	0.3	179	-73.3	-163.9	176.3	-171.3	0	116.1	I18 S22 S351	I18-K20 PolarHBondContact O-N 3.33Å; K20-S22 PolarHBondContact O-N 2.88Å; K20-S351 WeakPolarHBondContact CB-O 3.35Å; K20-S351 WeakPolarHBondContact CB-OG 3.2Å; K20-S351 PolarHBondContact N-O 3.4Å
21	R	60.1	Low	54.4	Low	113 Å²	113	63.7 Å²	63.7	43%	0.426	33%	0.33	S	S	.	.			trans	-67	125.2	178.9	-172.6	-166.3	-171.5	140	-8.5	110.2	G23 C24 D349	R21-G23 PolarHBondContact O-N 3.47Å; R21-C24 HydrophobicContact CB-CB 4.09Å; R21-C24 WeakPolarHBondContact O-CB 3.12Å; R21-C24 PolarHBondContact O-N 3.09Å; R21-D349 WeakPolarHBondContact CD-O 3.22Å; R21-D349 IonicContact CZ-OD1 2.72Å; R21-D349 PolarHBondContact NH1-O 3.5Å; R21-D349 IonicContact NH1-OD1 2.96Å; R21-D349 PolarHBondContact NH1-OD1 3.03Å; R21-D349 IonicContact NH2-OD1 2.68Å
22	S	63	Low	55.6	Low	114 Å²	114	64 Å²	64	80%	0.797	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	130.7	168.9	42.6	0	0	0	0	109.8	K20 C24	K20-S22 PolarHBondContact O-N 2.88Å; S22-C24 VanDerWaalsContact C-N 3.31Å; S22-C24 PolarHBondContact O-N 3.32Å
23	G	60.5	Low	56.7	Low	41 Å²	41	61.6 Å²	61.6	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	10.2	-172.2	0	0	0	0	0	115.5	R21 H25	R21-G23 PolarHBondContact O-N 3.47Å; G23-H25 PolarHBondContact O-CD2 3.4Å; G23-H25 PolarHBondContact O-N 2.85Å; G23-H25 VanDerWaalsContact O-N 3.13Å
24	C	59	Low	57.4	Low	2 Å²	2	59.9 Å²	59.9	1%	0.014	31%	0.308	C	S	.	.			trans	-53.1	118	174.4	-173.1	0	0	0	0	111.6	C19 R21 S22 C26 R29 H350	C19-C24 HydrophobicContact CB-CB 4.23Å; C19-C24 WeakPolarHBondContact CB-SG 3.48Å; C19-C24 WeakPolarHBondContact SG-CB 3.28Å; C19-C24 CovalentContact SG-SG 2.06Å; C19-C24 PolarHBondContact SG-SG 2.59Å; R21-C24 HydrophobicContact CB-CB 4.09Å; R21-C24 WeakPolarHBondContact O-CB 3.12Å; R21-C24 PolarHBondContact O-N 3.09Å; S22-C24 VanDerWaalsContact C-N 3.31Å; S22-C24 PolarHBondContact O-N 3.32Å; C24-C26 PolarHBondContact SG-SG 3.4Å; C24-R29 HydrophobicContact CB-CB 4.43Å; C24-R29 HydrophobicContact CB-CG 4.23Å; C24-R29 WeakPolarHBondContact O-CB 3.37Å; C24-R29 WeakPolarHBondContact O-CD 3.46Å; C24-R29 VanDerWaalsContact O-CG 3.27Å; C24-R29 WeakPolarHBondContact O-CG 3.39Å; C24-R29 PolarHBondContact O-NH1 2.97Å; C24-H350 VanDerWaalsContact SG-CD2 3.53Å
25	H	53.7	Low	58.1	Low	180 Å²	180	57 Å²	57	83%	0.833	29%	0.292	S	S	*	.			trans	-98.1	6.7	173.9	-73.2	-85.2	0	0	0	112.8	G23	G23-H25 PolarHBondContact O-CD2 3.4Å; G23-H25 PolarHBondContact O-N 2.85Å; G23-H25 VanDerWaalsContact O-N 3.13Å
26	C	58.5	Low	58.4	Low	26 Å²	26	56.6 Å²	56.6	18%	0.176	29%	0.29	C	S	.	.	S	Bend	trans	-69.6	153.5	175.1	96.6	0	0	0	0	110.7	C24 L28 R29	C24-C26 PolarHBondContact SG-SG 3.4Å; C26-L28 PolarHBondContact O-N 3.38Å; C26-L28 PolarHBondContact SG-N 2.78Å; C26-R29 WeakPolarHBondContact O-CB 3.46Å; C26-R29 PolarHBondContact O-N 3.16Å
27	A	54.5	Low	58.4	Low	52 Å²	52	55.5 Å²	55.5	43%	0.43	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.7	-175.1	0	0	0	0	0	114.7	Y31 F340	A27-Y31 WeakPolarHBondContact O-CD2 3.31Å; A27-F340 HydrophobicContact CB-CD1 3.97Å; A27-F340 HydrophobicContact CB-CD2 4.35Å; A27-F340 HydrophobicContact CB-CE1 3.43Å; A27-F340 VanDerWaalsContact CB-CE1 3.43Å; A27-F340 HydrophobicContact CB-CE2 3.85Å; A27-F340 HydrophobicContact CB-CG 4.41Å; A27-F340 HydrophobicContact CB-CZ 3.37Å
28	L	56.1	Low	58.3	Low	4 Å²	4	57.3 Å²	57.3	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.9	171.8	-65.9	174.4	0	0	0	113.5	C19 C26 N30 Y31 I330 P332 F340 I342	C19-L28 PolarHBondContact N-O 3.07Å; C26-L28 PolarHBondContact O-N 3.38Å; C26-L28 PolarHBondContact SG-N 2.78Å; L28-N30 PolarHBondContact O-N 2.87Å; L28-Y31 PolarHBondContact O-N 2.75Å; L28-I330 HydrophobicContact CD1-CD1 3.9Å; L28-I330 HydrophobicContact CD1-CG2 3.97Å; L28-I330 HydrophobicContact CD2-CG2 4.38Å; L28-P332 HydrophobicContact CD2-CB 4.42Å; L28-F340 HydrophobicContact CD2-CD2 3.65Å; L28-F340 HydrophobicContact CD2-CE2 3.81Å; L28-F340 HydrophobicContact CG-CD2 3.84Å; L28-F340 HydrophobicContact CG-CE2 4.24Å; L28-I342 HydrophobicContact CD1-CD1 3.96Å
29	R	58.7	Low	58.4	Low	107 Å²	107	56 Å²	56	40%	0.404	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-61.7	111.8	171.3	-173.6	-154.1	-170.1	122.4	-13.8	109.3	C24 C26 Y31	C24-R29 HydrophobicContact CB-CB 4.43Å; C24-R29 HydrophobicContact CB-CG 4.23Å; C24-R29 WeakPolarHBondContact O-CB 3.37Å; C24-R29 WeakPolarHBondContact O-CD 3.46Å; C24-R29 VanDerWaalsContact O-CG 3.27Å; C24-R29 WeakPolarHBondContact O-CG 3.39Å; C24-R29 PolarHBondContact O-NH1 2.97Å; C26-R29 WeakPolarHBondContact O-CB 3.46Å; C26-R29 PolarHBondContact O-N 3.16Å; R29-Y31 VanDerWaalsContact O-CD2 3.28Å; R29-Y31 WeakPolarHBondContact O-CD2 3.25Å; R29-Y31 PolarHBondContact O-N 3.38Å; R29-Y31 VanDerWaalsContact O-N 3.12Å
30	N	57.7	Low	58.1	Low	128 Å²	128	60.1 Å²	60.1	68%	0.684	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	10	-178.9	-54.2	-3	0	0	0	115.7	L28	L28-N30 PolarHBondContact O-N 2.87Å
31	Y	58.1	Low	57.9	Low	120 Å²	120	58.3 Å²	58.3	47%	0.471	31%	0.313	S	S	.	.			trans	-95.8	129.2	172.3	-71	-76.9	0	0	0	110.2	A27 L28 R29 S334	A27-Y31 WeakPolarHBondContact O-CD2 3.31Å; L28-Y31 PolarHBondContact O-N 2.75Å; R29-Y31 VanDerWaalsContact O-CD2 3.28Å; R29-Y31 WeakPolarHBondContact O-CD2 3.25Å; R29-Y31 PolarHBondContact O-N 3.38Å; R29-Y31 VanDerWaalsContact O-N 3.12Å; Y31-S334 WeakPolarHBondContact CD1-OG 3.12Å
32	D	60.6	Low	58	Low	57 Å²	57	53 Å²	53	31%	0.305	29%	0.294	S	S	.	.			trans	-62.8	139.9	164.2	-74	-7.3	0	0	0	109.4	K16 P332 V333	K16-D32 VanDerWaalsContact CE-CG 3.43Å; K16-D32 WeakPolarHBondContact CE-OD1 3.47Å; K16-D32 WeakPolarHBondContact CE-OD2 3.48Å; K16-D32 HydrophobicContact CG-CB 4.5Å; K16-D32 IonicContact NZ-OD1 3.33Å; K16-D32 PolarHBondContact NZ-OD1 3.24Å; K16-D32 IonicContact NZ-OD2 3.76Å; K16-D32 PolarHBondContact NZ-OD2 2.86Å; D32-P332 CarbonylContact O-C 3.52Å; D32-P332 VanDerWaalsContact O-CA 3.3Å; D32-P332 WeakPolarHBondContact O-CA 3.46Å; D32-V333 HydrophobicContact CB-CB 4.19Å; D32-V333 HydrophobicContact CB-CG2 3.69Å; D32-V333 PolarHBondContact O-N 3.22Å
33	S	62.6	Low	57.9	Low	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-108.1	153.8	173.6	40.2	0	0	0	0	111.5	A17 A331 Y362	A17-S33 WeakPolarHBondContact CA-OG 3.47Å; A17-S33 WeakPolarHBondContact CB-OG 3.42Å; A17-S33 PolarHBondContact N-OG 3.1Å; A17-S33 PolarHBondContact O-OG 3.43Å; S33-A331 CarbonylContact C-O 3.53Å; S33-A331 VanDerWaalsContact CA-O 3.23Å; S33-A331 WeakPolarHBondContact CA-O 3.24Å; S33-A331 WeakPolarHBondContact CB-O 3.26Å; S33-Y362 PolarHBondContact O-OH 3.42Å
34	L	59	Low	58	Low	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.			trans	-85.3	-63.7	-179.9	-72.7	160	0	0	0	111.5	A331 V333 P336 Y362 M366	L34-A331 HydrophobicContact CD1-CB 4.37Å; L34-A331 PolarHBondContact N-O 3.13Å; L34-V333 HydrophobicContact CD2-CB 4.49Å; L34-V333 HydrophobicContact CD2-CG2 3.9Å; L34-V333 HydrophobicContact CG-CB 4.41Å; L34-V333 HydrophobicContact CG-CG2 3.87Å; L34-P336 HydrophobicContact CD1-CB 3.61Å; L34-Y362 WeakPolarHBondContact CA-OH 3.49Å; L34-Y362 HydrophobicContact CD2-CD1 4.18Å; L34-Y362 HydrophobicContact CD2-CD2 4Å; L34-Y362 HydrophobicContact CD2-CE1 4.23Å; L34-Y362 HydrophobicContact CD2-CE2 4.07Å; L34-Y362 HydrophobicContact CD2-CG 4.09Å; L34-Y362 PolarHBondContact O-OH 3.47Å; L34-M366 HydrophobicContact CB-SD 3.88Å; L34-M366 HydrophobicContact CD2-CG 4.32Å
35	M	58.8	Low	58.4	Low	1 Å²	1	47 Å²	47	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.2	-164.3	-163.6	163.2	82.8	0	0	112	T12 I330 M366 H369 R370 A373	T12-M35 HydrophobicContact CG2-CG 3.49Å; T12-M35 VanDerWaalsContact CG2-CG 3.49Å; T12-M35 HydrophobicContact CG2-SD 3.33Å; T12-M35 WeakPolarHBondContact CG2-SD 3.45Å; M35-I330 VanDerWaalsContact O-CA 3.32Å; M35-I330 WeakPolarHBondContact O-CA 3.41Å; M35-I330 WeakPolarHBondContact O-CG2 3.33Å; M35-M366 HydrophobicContact CB-CE 4.03Å; M35-M366 HydrophobicContact CB-SD 3.67Å; M35-M366 HydrophobicContact CG-CE 3.79Å; M35-M366 HydrophobicContact CG-SD 4.12Å; M35-M366 HydrophobicContact SD-CE 4.04Å; M35-H369 VanDerWaalsContact CB-CD2 3.42Å; M35-H369 WeakPolarHBondContact CB-CD2 3.35Å; M35-H369 WeakPolarHBondContact CE-CD2 3.3Å; M35-H369 WeakPolarHBondContact CE-NE2 3.4Å; M35-H369 VanDerWaalsContact SD-CD2 3.59Å; M35-R370 HydrophobicContact SD-CB 4.22Å; M35-A373 HydrophobicContact CE-CB 3.53Å
36	L	55.8	Low	59	Low	10 Å²	10	39.3 Å²	39.3	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	102.3	167.6	-94.8	159.5	0	0	0	109.7	F4 Y13 I15 A17 L328 I330	F4-L36 HydrophobicContact CE1-CB 4.12Å; F4-L36 HydrophobicContact CE1-CD1 4.18Å; F4-L36 HydrophobicContact CE2-CD1 4.47Å; F4-L36 HydrophobicContact CZ-CB 4.34Å; F4-L36 HydrophobicContact CZ-CD1 3.54Å; F4-L36 HydrophobicContact CZ-CG 4.47Å; Y13-L36 PolarHBondContact O-N 3.22Å; I15-L36 HydrophobicContact CB-CD1 4.39Å; I15-L36 HydrophobicContact CG2-CD1 4.19Å; A17-L36 HydrophobicContact CB-CD1 3.85Å; L36-L328 HydrophobicContact CD2-CB 3.79Å; L36-L328 HydrophobicContact CD2-CD1 3.99Å; L36-L328 HydrophobicContact CD2-CD2 3.93Å; L36-L328 HydrophobicContact CD2-CG 4.12Å; L36-I330 HydrophobicContact CD2-CD1 3.45Å; L36-I330 VanDerWaalsContact CD2-CD1 3.45Å; L36-I330 HydrophobicContact CD2-CG1 3.53Å; L36-I330 HydrophobicContact CG-CD1 4.04Å; L36-I330 HydrophobicContact CG-CG1 3.97Å
37	Y	55.3	Low	59.6	Low	43 Å²	43	38 Å²	38	17%	0.169	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.7	176	-166.9	-78.4	0	0	0	111.1	V39 L328 I329 L377	Y37-V39 HydrophobicContact CD1-CG2 3.87Å; Y37-V39 HydrophobicContact CE1-CG2 4.02Å; Y37-L328 WeakPolarHBondContact O-CA 3.29Å; Y37-I329 PolarHBondContact N-O 2.66Å; Y37-I329 PolarHBondContact O-N 3.42Å; Y37-L377 HydrophobicContact CD1-CD1 3.74Å; Y37-L377 HydrophobicContact CD2-CD1 4.31Å; Y37-L377 HydrophobicContact CE1-CD1 3.35Å; Y37-L377 HydrophobicContact CE2-CD1 3.95Å; Y37-L377 HydrophobicContact CG-CD1 4.22Å; Y37-L377 VanDerWaalsContact CZ-CD1 3.46Å
38	P	55.4	Low	60.5	Low	40 Å²	40	36 Å²	36	26%	0.26	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.1	174.1	30.8	-31.6	0	0	0	111.7	P40 L328	P38-P40 WeakPolarHBondContact O-CD 3.4Å; P38-L328 HydrophobicContact CB-CD2 3.81Å
39	V	58.7	Low	61.3	Low	13 Å²	13	36.6 Å²	36.6	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	102.7	165	-165.5	0	0	0	0	108.5	Y37 S42 F75 D326 I327 I329 L377	Y37-V39 HydrophobicContact CD1-CG2 3.87Å; Y37-V39 HydrophobicContact CE1-CG2 4.02Å; V39-S42 PolarHBondContact O-OG 3.35Å; V39-F75 HydrophobicContact CB-CE1 4.13Å; V39-F75 HydrophobicContact CG1-CD1 3.89Å; V39-F75 HydrophobicContact CG1-CE1 3.55Å; V39-F75 HydrophobicContact CG1-CZ 4.5Å; V39-F75 HydrophobicContact CG2-CE1 4.33Å; V39-D326 WeakPolarHBondContact O-CA 3.5Å; V39-I327 PolarHBondContact N-O 2.95Å; V39-I327 PolarHBondContact O-N 3.22Å; V39-I327 VanDerWaalsContact O-N 3.08Å; V39-I329 HydrophobicContact CG2-CD1 3.88Å; V39-I329 HydrophobicContact CG2-CG1 4.33Å; V39-L377 HydrophobicContact CG2-CD2 3.99Å
40	P	53.9	Low	62.3	Low	87 Å²	87	32 Å²	32	57%	0.565	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	157.4	-179.5	29.8	-35.2	0	0	0	111.7	P38 S42 D326	P38-P40 WeakPolarHBondContact O-CD 3.4Å; P40-S42 PolarHBondContact O-N 3.35Å; P40-D326 VanDerWaalsContact CA-OD1 3.24Å; P40-D326 WeakPolarHBondContact CA-OD1 3.23Å
41	D	56.5	Low	63.2	Low	87 Å²	87	27.7 Å²	27.7	47%	0.465	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	14.7	172.2	-125.4	13.1	0	0	0	114.7	R76 D326	D41-R76 IonicContact OD2-CZ 3.42Å; D41-R76 IonicContact OD2-NH1 3.13Å; D41-R76 PolarHBondContact OD2-NH1 3.11Å; D41-R76 IonicContact OD2-NH2 2.65Å; D41-R76 PolarHBondContact OD2-NH2 2.63Å; D41-D326 PolarHBondContact N-OD1 2.69Å
42	S	60.7	Low	64	Low	2 Å²	2	23.8 Å²	23.8	1%	0.014	13%	0.13	C	C	.	.			trans	-72.3	159	179.7	65	0	0	0	0	112.2	V39 P40 G325 I327	V39-S42 PolarHBondContact O-OG 3.35Å; P40-S42 PolarHBondContact O-N 3.35Å; S42-G325 CarbonylContact C-O 3.55Å; S42-G325 PolarHBondContact O-N 3.13Å; S42-G325 PolarHBondContact OG-O 3Å; S42-I327 WeakPolarHBondContact OG-CB 3.48Å; S42-I327 WeakPolarHBondContact OG-CD1 3.32Å; S42-I327 WeakPolarHBondContact OG-CG1 3.26Å; S42-I327 PolarHBondContact OG-N 3.32Å; S42-I327 VanDerWaalsContact OG-N 3.15Å
43	T	61.7	Low	64.1	Low	23 Å²	23	23.8 Å²	23.8	14%	0.141	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.1	178.9	-64	0	0	0	0	109.4	L74 L260 L322 Y323 R324	T43-L74 WeakPolarHBondContact CB-O 3.1Å; T43-L74 PolarHBondContact N-O 2.94Å; T43-L74 WeakPolarHBondContact O-CA 3.45Å; T43-L74 PolarHBondContact O-N 3.09Å; T43-L260 HydrophobicContact CG2-CD1 4.25Å; T43-L322 HydrophobicContact CG2-CD1 3.28Å; T43-L322 HydrophobicContact CG2-CD2 4.01Å; T43-L322 HydrophobicContact CG2-CG 3.61Å; T43-Y323 CarbonylContact C-O 3.58Å; T43-Y323 WeakPolarHBondContact CA-O 3.27Å; T43-R324 HydrophobicContact CG2-CG 4.06Å
44	L	63.3	Low	63.9	Low	7 Å²	7	28 Å²	28	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	175.9	-167.9	78.8	0	0	0	109.6	K71 L72 I73 Y323 I327 T343	L44-K71 HydrophobicContact CD1-CB 4.1Å; L44-K71 HydrophobicContact CD2-CB 4.13Å; L44-K71 HydrophobicContact CD2-CD 4.18Å; L44-K71 HydrophobicContact CD2-CG 4.47Å; L44-K71 HydrophobicContact CG-CB 4.22Å; L44-L72 WeakPolarHBondContact CA-O 3.28Å; L44-I73 HydrophobicContact CD1-CG1 4.05Å; L44-Y323 PolarHBondContact N-O 2.9Å; L44-Y323 PolarHBondContact O-N 3.46Å; L44-I327 HydrophobicContact CB-CD1 3.85Å; L44-I327 HydrophobicContact CD1-CD1 4.16Å; L44-T343 HydrophobicContact CD2-CG2 3.52Å
45	A	65.7	Low	63.6	Low	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.6	169.4	0	0	0	0	0	110.6	K71 L72 L74 L319 S321 L322	A45-K71 CarbonylContact O-C 3.57Å; A45-K71 WeakPolarHBondContact O-CA 3.46Å; A45-L72 PolarHBondContact N-O 2.84Å; A45-L72 PolarHBondContact O-N 2.94Å; A45-L74 HydrophobicContact CB-CD1 3.6Å; A45-L319 HydrophobicContact CB-CD2 4.09Å; A45-S321 CarbonylContact C-O 3.49Å; A45-S321 WeakPolarHBondContact CA-O 3.17Å; A45-L322 HydrophobicContact CB-CD1 4.02Å
46	S	67.6	Low	63	Low	18 Å²	18	42.5 Å²	42.5	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.8	162.9	-169.5	0	0	0	0	108.5	H320 S321	S46-H320 PolarHBondContact O-N 3.19Å; S46-S321 WeakPolarHBondContact CB-OG 3.31Å; S46-S321 PolarHBondContact N-O 3.07Å
47	A	70.5	Confident	62.8	Low	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.8	-177	0	0	0	0	0	113.2	S70 L72 L317 R318 L319	A47-S70 PolarHBondContact N-O 2.8Å; A47-S70 PolarHBondContact O-N 2.88Å; A47-L72 HydrophobicContact CB-CD1 4Å; A47-L72 HydrophobicContact CB-CG 4.38Å; A47-L317 HydrophobicContact CB-CD1 3.7Å; A47-L317 HydrophobicContact CB-CG 4.13Å; A47-R318 CarbonylContact C-O 3.29Å; A47-R318 WeakPolarHBondContact CA-O 3.43Å; A47-L319 HydrophobicContact CB-CD2 4.18Å
48	T	73.9	Confident	62.5	Low	10 Å²	10	55.2 Å²	55.2	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.6	164	45.7	0	0	0	0	109.8	E50 C66 V68 Q69 R318 H320	T48-E50 PolarHBondContact OG1-OE1 2.87Å; T48-C66 VanDerWaalsContact CG2-SG 3.57Å; T48-V68 CarbonylContact C-O 3.56Å; T48-V68 WeakPolarHBondContact CA-O 3.41Å; T48-Q69 HydrophobicContact CG2-CB 4.15Å; T48-Q69 HydrophobicContact CG2-CG 4.03Å; T48-R318 PolarHBondContact N-O 2.81Å; T48-R318 PolarHBondContact O-N 2.92Å; T48-H320 PolarHBondContact OG1-NE2 3.18Å
49	W	73.5	Confident	62.2	Low	16 Å²	16	58.7 Å²	58.7	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.6	162.7	-167.4	-100.9	0	0	0	107.6	E67 V68 L309 F311 H315 L317	W49-E67 PolarHBondContact NE1-OE2 3.31Å; W49-E67 PolarHBondContact O-N 3.26Å; W49-V68 HydrophobicContact CB-CB 4.26Å; W49-V68 PolarHBondContact N-O 2.71Å; W49-V68 PolarHBondContact O-N 3.04Å; W49-L309 HydrophobicContact CB-CD1 4.42Å; W49-L309 HydrophobicContact CB-CD2 4.17Å; W49-L309 HydrophobicContact CD2-CD1 3.99Å; W49-L309 HydrophobicContact CD2-CD2 4.21Å; W49-L309 HydrophobicContact CE3-CD1 4.05Å; W49-L309 HydrophobicContact CG-CD1 4.19Å; W49-L309 HydrophobicContact CG-CD2 3.79Å; W49-L309 HydrophobicContact CZ2-CB 4.48Å; W49-F311 HydrophobicContact CH2-CB 4.43Å; W49-F311 AromaticContact CH2-CD2 3.77Å; W49-F311 HydrophobicContact CH2-CD2 3.77Å; W49-F311 HydrophobicContact CZ2-CB 4.48Å; W49-F311 HydrophobicContact CZ2-CD2 4.08Å; W49-H315 HydrophobicContact CZ2-CB 3.63Å; W49-H315 AromaticContact NE1-CD2 3.39Å; W49-H315 PolarHBondContact NE1-CD2 3.08Å; W49-H315 AromaticContact NE1-CG 3.71Å; W49-L317 HydrophobicContact CE3-CB 4.29Å; W49-L317 HydrophobicContact CE3-CD1 4.02Å; W49-L317 HydrophobicContact CZ3-CB 4.39Å
50	E	79.1	Confident	62	Low	10 Å²	10	66.8 Å²	66.8	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	-174	-84.1	170	-123.1	0	0	110.4	T48 S64 S65 C66 H315 F316 R318	T48-E50 PolarHBondContact OG1-OE1 2.87Å; E50-S64 WeakPolarHBondContact OE2-CB 3.47Å; E50-S64 PolarHBondContact OE2-OG 3.42Å; E50-S65 WeakPolarHBondContact CA-O 3.36Å; E50-C66 HydrophobicContact CG-CB 4.15Å; E50-H315 WeakPolarHBondContact O-CA 3.46Å; E50-F316 HydrophobicContact CB-CD1 3.96Å; E50-F316 HydrophobicContact CB-CE1 3.26Å; E50-F316 HydrophobicContact CB-CE2 4.3Å; E50-F316 HydrophobicContact CB-CZ 3.46Å; E50-F316 VanDerWaalsContact CB-CZ 3.46Å; E50-F316 HydrophobicContact CG-CE1 4.44Å; E50-F316 HydrophobicContact CG-CZ 4.25Å; E50-F316 PolarHBondContact N-O 3.35Å; E50-F316 WeakPolarHBondContact O-CD1 3.48Å; E50-F316 PolarHBondContact O-N 2.83Å; E50-F316 WeakPolarHBondContact OE2-CZ 3.41Å; E50-R318 WeakPolarHBondContact OE1-CD 3.39Å; E50-R318 IonicContact OE1-NH1 3.75Å; E50-R318 IonicContact OE2-NH1 3.87Å; E50-R318 PolarHBondContact OE2-NH1 2.8Å
51	L	76.8	Confident	62	Low	38 Å²	38	70.1 Å²	70.1	20%	0.199	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.7	176	168.9	64.7	0	0	0	109.9	S64 S65 E67 K314	L51-S64 CarbonylContact O-C 3.54Å; L51-S64 WeakPolarHBondContact O-CA 3.44Å; L51-S65 PolarHBondContact N-O 2.86Å; L51-S65 PolarHBondContact O-N 3.17Å; L51-S65 PolarHBondContact O-OG 3.36Å; L51-E67 HydrophobicContact CB-CG 4.1Å; L51-E67 WeakPolarHBondContact CB-OE1 3.38Å; L51-E67 WeakPolarHBondContact CD2-OE1 3.49Å; L51-K314 HydrophobicContact CD1-CB 3.51Å; L51-K314 HydrophobicContact CD1-CD 4.29Å
52	W	73.7	Confident	62.2	Low	38 Å²	38	67.9 Å²	67.9	14%	0.144	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.8	167.7	-57.7	-31.9	0	0	0	112.6	P62 L85 H89 K314 F316	W52-P62 HydrophobicContact CB-CB 4.01Å; W52-P62 HydrophobicContact CG-CB 4.05Å; W52-P62 HydrophobicContact CG-CG 4.5Å; W52-L85 HydrophobicContact CH2-CD1 3.9Å; W52-L85 HydrophobicContact CZ2-CD1 3.56Å; W52-H89 HydrophobicContact CD2-CB 4.37Å; W52-H89 VanDerWaalsContact CE2-CB 3.5Å; W52-H89 HydrophobicContact CH2-CB 4.35Å; W52-H89 WeakPolarHBondContact CH2-O 3.48Å; W52-H89 HydrophobicContact CZ2-CB 3.56Å; W52-H89 WeakPolarHBondContact CZ2-O 3.46Å; W52-H89 AromaticContact NE1-CG 3.53Å; W52-H89 AromaticContact NE1-ND1 3.73Å; W52-K314 PolarHBondContact N-O 3.3Å; W52-F316 AromaticContact CD1-CD1 4Å; W52-F316 AromaticContact CD1-CE1 3.64Å; W52-F316 AromaticContact CE2-CD1 3.5Å; W52-F316 AromaticContact CE2-CE1 3.84Å; W52-F316 HydrophobicContact CZ2-CB 4.01Å; W52-F316 AromaticContact CZ2-CD1 3.59Å; W52-F316 HydrophobicContact CZ2-CD1 3.59Å; W52-F316 HydrophobicContact CZ2-CE1 4.29Å; W52-F316 AromaticContact CZ2-CG 3.88Å; W52-F316 HydrophobicContact CZ2-CG 3.88Å; W52-F316 AromaticContact NE1-CD1 3.15Å; W52-F316 AromaticContact NE1-CE1 2.98Å; W52-F316 AromaticContact NE1-CZ 3.87Å
53	T	63.5	Low	62.4	Low	56 Å²	56	70.6 Å²	70.6	34%	0.344	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.2	164.5	55.2	0	0	0	0	108.8	K55 T63	T53-K55 PolarHBondContact O-N 2.95Å; T53-T63 PolarHBondContact N-O 3.19Å; T53-T63 PolarHBondContact O-N 3.41Å; T53-T63 PolarHBondContact O-OG1 3.09Å; T53-T63 VanDerWaalsContact O-OG1 3.1Å; T53-T63 PolarHBondContact OG1-O 2.85Å; T53-T63 PolarHBondContact OG1-OG1 2.88Å
54	A	59.1	Low	62.8	Low	88 Å²	88	71.7 Å²	71.7	73%	0.727	37%	0.371	S	S	*	.			trans	-82.3	104.3	171.3	0	0	0	0	0	108.7
55	K	53.1	Low	63.3	Low	159 Å²	159	73.4 Å²	73.4	69%	0.691	38%	0.383	S	S	*	.			trans	-72.2	158.9	168	-71	-170.3	175.3	-175.2	0	110.7	T53	T53-K55 PolarHBondContact O-N 2.95Å
56	D	44.9	Very low	63.9	Low	147 Å²	147	77.2 Å²	77.2	79%	0.786	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.7	-159.2	-80.5	-80.3	0	0	0	117.4	N58	D56-N58 PolarHBondContact O-N 2.96Å
57	K	52.3	Low	63.9	Low	208 Å²	208	80.6 Å²	80.6	90%	0.904	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	-0.2	157	-66.4	-170.4	177.2	-179.9	0	119.9
58	N	48.9	Very low	63.7	Low	112 Å²	112	83.1 Å²	83.1	60%	0.599	44%	0.438	S	S	*	.			trans	-136.7	81.8	178.1	-139.7	-37.6	0	0	0	110.7	D56 R60	D56-N58 PolarHBondContact O-N 2.96Å; N58-R60 PolarHBondContact O-N 2.76Å
59	P	48.7	Very low	63.3	Low	114 Å²	114	89.7 Å²	89.7	74%	0.74	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	34	-159.6	34.8	-39.5	0	0	0	114.5	F61	P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 PolarHBondContact O-N 3.15Å
60	R	54.8	Low	62.5	Low	182 Å²	182	90.6 Å²	90.6	69%	0.687	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.3	-175	-64.3	-168	-172.5	-166.1	1.9	113	N58	N58-R60 PolarHBondContact O-N 2.76Å
61	F	54.4	Low	61.6	Low	157 Å²	157	96 Å²	96	69%	0.689	50%	0.5	S	S	*	.	S	Bend	trans	-139	110.1	-179.4	-57.7	-69.9	0	0	0	110.2	P59	P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 PolarHBondContact O-N 3.15Å
62	P	59.6	Low	60.7	Low	40 Å²	40	94.7 Å²	94.7	26%	0.26	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-71.5	135.5	171.5	28.7	-32.1	0	0	0	110.5	W52	W52-P62 HydrophobicContact CB-CB 4.01Å; W52-P62 HydrophobicContact CG-CB 4.05Å; W52-P62 HydrophobicContact CG-CG 4.5Å
63	T	64.9	Low	59.9	Low	59 Å²	59	94 Å²	94	36%	0.362	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.8	172.1	40.2	0	0	0	0	110.3	T53	T53-T63 PolarHBondContact N-O 3.19Å; T53-T63 PolarHBondContact O-N 3.41Å; T53-T63 PolarHBondContact O-OG1 3.09Å; T53-T63 VanDerWaalsContact O-OG1 3.1Å; T53-T63 PolarHBondContact OG1-O 2.85Å; T53-T63 PolarHBondContact OG1-OG1 2.88Å
64	S	70.3	Confident	59.6	Low	46 Å²	46	91.8 Å²	91.8	32%	0.322	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.6	174	74.5	0	0	0	0	111.8	E50 L51	E50-S64 WeakPolarHBondContact OE2-CB 3.47Å; E50-S64 PolarHBondContact OE2-OG 3.42Å; L51-S64 CarbonylContact O-C 3.54Å; L51-S64 WeakPolarHBondContact O-CA 3.44Å
65	S	74.4	Confident	59.4	Low	43 Å²	43	88.4 Å²	88.4	30%	0.301	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	168.5	51.8	0	0	0	0	109.1	E50 L51 E67	E50-S65 WeakPolarHBondContact CA-O 3.36Å; L51-S65 PolarHBondContact N-O 2.86Å; L51-S65 PolarHBondContact O-N 3.17Å; L51-S65 PolarHBondContact O-OG 3.36Å; S65-E67 PolarHBondContact O-N 2.96Å
66	C	77.8	Confident	59.2	Low	80 Å²	80	88.1 Å²	88.1	54%	0.541	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.1	175.6	-177.7	0	0	0	0	110	T48 E50	T48-C66 VanDerWaalsContact CG2-SG 3.57Å; E50-C66 HydrophobicContact CG-CB 4.15Å
67	E	68.2	Low	59.3	Low	90 Å²	90	84.3 Å²	84.3	42%	0.421	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-45.1	179.9	-57.3	-171.2	137.6	0	0	111.4	W49 L51 S65 H315	W49-E67 PolarHBondContact NE1-OE2 3.31Å; W49-E67 PolarHBondContact O-N 3.26Å; L51-E67 HydrophobicContact CB-CG 4.1Å; L51-E67 WeakPolarHBondContact CB-OE1 3.38Å; L51-E67 WeakPolarHBondContact CD2-OE1 3.49Å; S65-E67 PolarHBondContact O-N 2.96Å; E67-H315 IonicContact OE1-NE2 3.18Å; E67-H315 IonicContact OE2-CD2 2.73Å; E67-H315 PolarHBondContact OE2-CD2 2.89Å; E67-H315 VanDerWaalsContact OE2-CD2 3.27Å; E67-H315 IonicContact OE2-NE2 2.77Å
68	V	66.2	Low	59.2	Low	53 Å²	53	75.4 Å²	75.4	32%	0.321	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130	-176.7	-178.3	0	0	0	0	110.2	T48 W49 L309	T48-V68 CarbonylContact C-O 3.56Å; T48-V68 WeakPolarHBondContact CA-O 3.41Å; W49-V68 HydrophobicContact CB-CB 4.26Å; W49-V68 PolarHBondContact N-O 2.71Å; W49-V68 PolarHBondContact O-N 3.04Å; V68-L309 HydrophobicContact CB-CD2 4.14Å; V68-L309 HydrophobicContact CG2-CD2 3.76Å
69	Q	64.5	Low	59.5	Low	148 Å²	148	79.6 Å²	79.6	69%	0.692	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	130	165.3	-170	177.2	43.3	0	0	109.5	T48	T48-Q69 HydrophobicContact CG2-CB 4.15Å; T48-Q69 HydrophobicContact CG2-CG 4.03Å
70	S	56.9	Low	60.3	Low	34 Å²	34	75 Å²	75	24%	0.238	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.1	-176.1	-169.3	0	0	0	0	112.3	A47	A47-S70 PolarHBondContact N-O 2.8Å; A47-S70 PolarHBondContact O-N 2.88Å
71	K	59.9	Low	61.3	Low	124 Å²	124	68.7 Å²	68.7	54%	0.539	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	108.9	175.1	-70.7	176.7	178.6	-178.3	0	108.4	L44 A45	L44-K71 HydrophobicContact CD1-CB 4.1Å; L44-K71 HydrophobicContact CD2-CB 4.13Å; L44-K71 HydrophobicContact CD2-CD 4.18Å; L44-K71 HydrophobicContact CD2-CG 4.47Å; L44-K71 HydrophobicContact CG-CB 4.22Å; A45-K71 CarbonylContact O-C 3.57Å; A45-K71 WeakPolarHBondContact O-CA 3.46Å
72	L	59.1	Low	62.5	Low	11 Å²	11	61.2 Å²	61.2	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.1	-174.2	-58.8	175.7	0	0	0	110.3	L44 A45 A47 L74 L303 V306 L317	L44-L72 WeakPolarHBondContact CA-O 3.28Å; A45-L72 PolarHBondContact N-O 2.84Å; A45-L72 PolarHBondContact O-N 2.94Å; A47-L72 HydrophobicContact CB-CD1 4Å; A47-L72 HydrophobicContact CB-CG 4.38Å; L72-L74 HydrophobicContact CB-CD1 4.34Å; L72-L74 HydrophobicContact CB-CD2 4.44Å; L72-L74 HydrophobicContact CB-CG 4.25Å; L72-L303 HydrophobicContact CD1-CD1 3.84Å; L72-L303 HydrophobicContact CD1-CD2 4.04Å; L72-L303 HydrophobicContact CD2-CD2 4.38Å; L72-V306 HydrophobicContact CD2-CG2 3.61Å; L72-L317 HydrophobicContact CD1-CD1 3.86Å; L72-L317 HydrophobicContact CD1-CD2 3.58Å; L72-L317 HydrophobicContact CD1-CG 4.29Å
73	I	55.9	Low	63.7	Low	23 Å²	23	59.3 Å²	59.3	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.4	168.2	-36.3	172.2	0	0	0	109.1	L44 F75 I327 L341	L44-I73 HydrophobicContact CD1-CG1 4.05Å; I73-F75 HydrophobicContact CB-CE1 4.33Å; I73-F75 HydrophobicContact CB-CE2 4.27Å; I73-F75 HydrophobicContact CB-CZ 3.91Å; I73-F75 HydrophobicContact CD1-CZ 4.03Å; I73-F75 HydrophobicContact CG2-CD1 3.96Å; I73-F75 HydrophobicContact CG2-CE1 3.29Å; I73-F75 HydrophobicContact CG2-CE2 4.05Å; I73-F75 HydrophobicContact CG2-CZ 3.36Å; I73-I327 HydrophobicContact CG2-CD1 3.71Å; I73-L341 HydrophobicContact CD1-CD1 3.6Å; I73-L341 HydrophobicContact CD1-CD2 3.54Å; I73-L341 HydrophobicContact CD1-CG 4.18Å; I73-L341 HydrophobicContact CG1-CD1 3.6Å; I73-L341 HydrophobicContact CG1-CD2 4.45Å
74	L	57.6	Low	64.6	Low	10 Å²	10	57.3 Å²	57.3	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	93.8	-173.1	-62.3	172.9	0	0	0	108.3	T43 A45 L72 L256 L260 L303	T43-L74 WeakPolarHBondContact CB-O 3.1Å; T43-L74 PolarHBondContact N-O 2.94Å; T43-L74 WeakPolarHBondContact O-CA 3.45Å; T43-L74 PolarHBondContact O-N 3.09Å; A45-L74 HydrophobicContact CB-CD1 3.6Å; L72-L74 HydrophobicContact CB-CD1 4.34Å; L72-L74 HydrophobicContact CB-CD2 4.44Å; L72-L74 HydrophobicContact CB-CG 4.25Å; L74-L256 HydrophobicContact CD1-CD1 4.49Å; L74-L256 HydrophobicContact CD1-CD2 3.94Å; L74-L256 HydrophobicContact CD1-CG 4.07Å; L74-L256 HydrophobicContact CD2-CD2 3.39Å; L74-L256 HydrophobicContact CD2-CG 4.04Å; L74-L256 HydrophobicContact CG-CD2 4.32Å; L74-L260 HydrophobicContact CB-CD1 3.96Å; L74-L260 HydrophobicContact CD1-CD1 3.4Å; L74-L260 VanDerWaalsContact CD1-CD1 3.4Å; L74-L260 HydrophobicContact CD1-CG 4.49Å; L74-L260 HydrophobicContact CG-CD1 4.3Å; L74-L303 HydrophobicContact CD2-CD2 3.81Å
75	F	55.2	Low	65.2	Low	16 Å²	16	55.6 Å²	55.6	7%	0.07	27%	0.269	C	S	.	.			trans	-77.6	163	175.8	-49.3	-65.2	0	0	0	110.7	V39 I73 Q77 C78 F376 A380	V39-F75 HydrophobicContact CB-CE1 4.13Å; V39-F75 HydrophobicContact CG1-CD1 3.89Å; V39-F75 HydrophobicContact CG1-CE1 3.55Å; V39-F75 HydrophobicContact CG1-CZ 4.5Å; V39-F75 HydrophobicContact CG2-CE1 4.33Å; I73-F75 HydrophobicContact CB-CE1 4.33Å; I73-F75 HydrophobicContact CB-CE2 4.27Å; I73-F75 HydrophobicContact CB-CZ 3.91Å; I73-F75 HydrophobicContact CD1-CZ 4.03Å; I73-F75 HydrophobicContact CG2-CD1 3.96Å; I73-F75 HydrophobicContact CG2-CE1 3.29Å; I73-F75 HydrophobicContact CG2-CE2 4.05Å; I73-F75 HydrophobicContact CG2-CZ 3.36Å; F75-Q77 PolarHBondContact O-N 3.31Å; F75-C78 PolarHBondContact N-SG 3Å; F75-C78 PolarHBondContact O-N 2.89Å; F75-F376 HydrophobicContact CE2-CE1 4.46Å; F75-F376 HydrophobicContact CZ-CE1 4.48Å; F75-A380 HydrophobicContact CD2-CB 4.26Å
76	R	49.5	Very low	65.3	Low	154 Å²	154	56.9 Å²	56.9	58%	0.581	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.8	174.1	-73.6	-165.9	177.3	86.6	-2.2	112.9	D41	D41-R76 IonicContact OD2-CZ 3.42Å; D41-R76 IonicContact OD2-NH1 3.13Å; D41-R76 PolarHBondContact OD2-NH1 3.11Å; D41-R76 IonicContact OD2-NH2 2.65Å; D41-R76 PolarHBondContact OD2-NH2 2.63Å
77	Q	45.9	Very low	65.1	Low	67 Å²	67	62.1 Å²	62.1	31%	0.313	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.7	-175.7	-60.5	-158.2	33.1	0	0	114.8	F75 R79 A380 H381	F75-Q77 PolarHBondContact O-N 3.31Å; Q77-R79 VanDerWaalsContact C-N 3.35Å; Q77-R79 WeakPolarHBondContact O-CG 3.19Å; Q77-R79 PolarHBondContact O-N 3.36Å; Q77-A380 WeakPolarHBondContact CB-O 3.41Å; Q77-A380 PolarHBondContact OE1-O 2.97Å; Q77-H381 PolarHBondContact NE2-ND1 2.91Å; Q77-H381 VanDerWaalsContact NE2-ND1 3.16Å
78	C	50.2	Low	65.2	Low	20 Å²	20	60.8 Å²	60.8	14%	0.135	29%	0.285	C	S	.	.			trans	-63.5	91.3	173.7	-73.5	0	0	0	0	111.5	F75	F75-C78 PolarHBondContact N-SG 3Å; F75-C78 PolarHBondContact O-N 2.89Å
79	R	55.9	Low	65.5	Low	200 Å²	200	59.6 Å²	59.6	76%	0.755	28%	0.276	S	S	*	.			trans	-72.5	136.9	176.8	-61.4	-174.7	-172.5	-163.7	1.6	109.7	Q77	Q77-R79 VanDerWaalsContact C-N 3.35Å; Q77-R79 WeakPolarHBondContact O-CG 3.19Å; Q77-R79 PolarHBondContact O-N 3.36Å
80	G	65	Low	65.8	Low	17 Å²	17	57.2 Å²	57.2	18%	0.175	27%	0.265	C	S	.	.			trans	152.3	140.4	-176.3	0	0	0	0	0	110	Y82 L255	G80-Y82 VanDerWaalsContact O-CD2 3.31Å; G80-Y82 WeakPolarHBondContact O-CD2 3.35Å; G80-Y82 WeakPolarHBondContact O-CE2 3.37Å; G80-L255 WeakPolarHBondContact O-CD2 3.28Å
81	W	76.7	Confident	66.4	Low	51 Å²	51	58 Å²	58	19%	0.193	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.2	-178.7	-67.2	103.6	0	0	0	109.8	I110 L171 I244 V253 L255 I272	W81-I110 HydrophobicContact CB-CD1 4.23Å; W81-I110 HydrophobicContact CD2-CD1 3.78Å; W81-I110 HydrophobicContact CG-CD1 3.56Å; W81-I110 HydrophobicContact CZ2-CD1 4.47Å; W81-L171 HydrophobicContact CH2-CD1 4.09Å; W81-L171 HydrophobicContact CH2-CD2 4.1Å; W81-L171 HydrophobicContact CZ2-CD1 3.97Å; W81-L171 HydrophobicContact CZ2-CD2 3.85Å; W81-L171 HydrophobicContact CZ2-CG 4.26Å; W81-I244 HydrophobicContact CE3-CD1 3.92Å; W81-I244 HydrophobicContact CH2-CD1 3.97Å; W81-I244 HydrophobicContact CZ3-CD1 3.57Å; W81-V253 HydrophobicContact CB-CG1 3.7Å; W81-V253 HydrophobicContact CD2-CG1 4.3Å; W81-V253 HydrophobicContact CE3-CG1 3.83Å; W81-V253 HydrophobicContact CG-CG1 4.32Å; W81-L255 HydrophobicContact CD2-CD2 3.72Å; W81-L255 HydrophobicContact CE3-CD2 3.71Å; W81-L255 HydrophobicContact CE3-CG 4.04Å; W81-L255 HydrophobicContact CG-CD2 4.39Å; W81-L255 HydrophobicContact CH2-CD2 4.02Å; W81-L255 HydrophobicContact CH2-CG 4.07Å; W81-L255 HydrophobicContact CZ2-CD2 3.98Å; W81-L255 HydrophobicContact CZ3-CD2 3.88Å; W81-L255 HydrophobicContact CZ3-CG 3.81Å; W81-I272 HydrophobicContact CB-CB 4.19Å; W81-I272 HydrophobicContact CB-CD1 4.4Å; W81-I272 HydrophobicContact CB-CG1 4.32Å; W81-I272 PolarHBondContact O-N 3.04Å
82	Y	79	Confident	66.7	Low	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.5	-172.5	-59.2	-100.7	0	0	0	109.6	G80 V253 H254 L256 L259 V269 R270 P271 L303	G80-Y82 VanDerWaalsContact O-CD2 3.31Å; G80-Y82 WeakPolarHBondContact O-CD2 3.35Å; G80-Y82 WeakPolarHBondContact O-CE2 3.37Å; Y82-V253 WeakPolarHBondContact O-CA 3.43Å; Y82-H254 PolarHBondContact N-O 3.25Å; Y82-H254 PolarHBondContact O-N 2.84Å; Y82-L256 HydrophobicContact CD2-CB 3.72Å; Y82-L256 HydrophobicContact CE1-CD2 4.07Å; Y82-L256 HydrophobicContact CE2-CB 3.52Å; Y82-L256 HydrophobicContact CE2-CD2 3.99Å; Y82-L256 HydrophobicContact CE2-CG 4.35Å; Y82-L259 HydrophobicContact CG-CD1 4.36Å; Y82-V269 HydrophobicContact CD1-CG2 4.32Å; Y82-R270 CarbonylContact C-O 3.59Å; Y82-R270 WeakPolarHBondContact CA-O 3.33Å; Y82-P271 HydrophobicContact CD1-CB 4.32Å; Y82-P271 HydrophobicContact CD1-CG 4.14Å; Y82-P271 HydrophobicContact CE1-CB 4.25Å; Y82-P271 HydrophobicContact CE1-CG 3.98Å; Y82-L303 HydrophobicContact CE1-CD1 4.03Å; Y82-L303 WeakPolarHBondContact OH-CG 3.18Å
83	E	84.4	Confident	67.1	Low	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.4	172.7	-73.8	174.2	150.2	0	0	109.4	R112 S242 V253 V269 R270 I272	E83-R112 VanDerWaalsContact CD-NH1 3.33Å; E83-R112 IonicContact OE1-CZ 2.74Å; E83-R112 IonicContact OE1-NH1 3.51Å; E83-R112 PolarHBondContact OE1-NH1 3.03Å; E83-R112 IonicContact OE1-NH2 3.81Å; E83-R112 PolarHBondContact OE1-NH2 2.9Å; E83-R112 IonicContact OE2-CZ 3.45Å; E83-R112 IonicContact OE2-NH1 3.54Å; E83-R112 PolarHBondContact OE2-NH1 3.06Å; E83-R112 IonicContact OE2-NH2 3.57Å; E83-R112 PolarHBondContact OE2-NH2 3.12Å; E83-S242 PolarHBondContact OE1-OG 2.95Å; E83-V253 HydrophobicContact CG-CG2 3.94Å; E83-V269 CarbonylContact O-C 3.55Å; E83-V269 VanDerWaalsContact O-CA 3.29Å; E83-V269 WeakPolarHBondContact O-CA 3.47Å; E83-R270 PolarHBondContact N-O 3.49Å; E83-R270 PolarHBondContact O-N 2.84Å; E83-R270 IonicContact OE2-CZ 2.7Å; E83-R270 IonicContact OE2-NE 3.48Å; E83-R270 IonicContact OE2-NH2 2.68Å; E83-R270 PolarHBondContact OE2-NH2 3.46Å; E83-I272 HydrophobicContact CG-CD1 3.9Å; E83-I272 HydrophobicContact CG-CG1 3.88Å
84	V	84.2	Confident	67.9	Low	16 Å²	16	58.8 Å²	58.8	10%	0.097	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.4	167.6	176.8	0	0	0	0	108.5	T92 G252 L259 F263 L267 V269	V84-T92 PolarHBondContact O-OG1 2.83Å; V84-G252 PolarHBondContact N-O 3.41Å; V84-L259 HydrophobicContact CG2-CD2 3.42Å; V84-L259 VanDerWaalsContact CG2-CD2 3.42Å; V84-F263 HydrophobicContact CG1-CE1 4.3Å; V84-F263 HydrophobicContact CG2-CE1 4.34Å; V84-F263 HydrophobicContact CG2-CE2 4.16Å; V84-F263 HydrophobicContact CG2-CZ 3.84Å; V84-L267 HydrophobicContact CG1-CD1 4.07Å; V84-L267 HydrophobicContact CG2-CD2 4.49Å; V84-V269 HydrophobicContact CG2-CG1 4.49Å
85	L	82.1	Confident	69.1	Low	10 Å²	10	58.5 Å²	58.5	5%	0.052	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-97.9	145.4	177.2	-51	-175.7	0	0	0	110	W52 Q90 P91 S268 R270 F316	W52-L85 HydrophobicContact CH2-CD1 3.9Å; W52-L85 HydrophobicContact CZ2-CD1 3.56Å; L85-Q90 WeakPolarHBondContact CA-O 3.39Å; L85-P91 HydrophobicContact CD2-CB 3.89Å; L85-S268 WeakPolarHBondContact CB-O 3.36Å; L85-S268 PolarHBondContact N-O 3.32Å; L85-R270 HydrophobicContact CD1-CB 4.29Å; L85-R270 HydrophobicContact CD2-CB 3.92Å; L85-R270 HydrophobicContact CG-CB 4.34Å; L85-F316 HydrophobicContact CD1-CB 3.62Å; L85-F316 HydrophobicContact CD1-CD2 3.98Å; L85-F316 HydrophobicContact CD1-CG 3.9Å
86	N	78.4	Confident	70.5	Confident	71 Å²	71	59.4 Å²	59.4	38%	0.38	29%	0.288	S	S	.	.			trans	-77.4	-178.7	174.1	74.8	11.3	0	0	0	112.1	N88 H89 Q90	N86-N88 PolarHBondContact O-N 2.89Å; N86-N88 WeakPolarHBondContact OD1-CA 3.41Å; N86-N88 WeakPolarHBondContact OD1-CB 3.41Å; N86-N88 PolarHBondContact OD1-N 2.81Å; N86-H89 VanDerWaalsContact O-CA 3.25Å; N86-H89 WeakPolarHBondContact O-CA 3.39Å; N86-H89 PolarHBondContact O-N 3.03Å; N86-H89 PolarHBondContact OD1-N 2.89Å; N86-Q90 PolarHBondContact N-O 3.46Å; N86-Q90 VanDerWaalsContact N-O 3.07Å; N86-Q90 PolarHBondContact ND2-OE1 3.08Å; N86-Q90 WeakPolarHBondContact OD1-CB 3.27Å; N86-Q90 PolarHBondContact OD1-N 2.97Å
87	E	73.1	Confident	72.3	Confident	190 Å²	190	54.9 Å²	54.9	89%	0.888	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.3	-179.8	-60.5	-178.8	158.1	0	0	113.4	H89	E87-H89 PolarHBondContact O-N 3.25Å
88	N	70.7	Confident	74.3	Confident	61 Å²	61	52.6 Å²	52.6	33%	0.326	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	12	172.2	-60	-50.6	0	0	0	112.6	N86 Q90	N86-N88 PolarHBondContact O-N 2.89Å; N86-N88 WeakPolarHBondContact OD1-CA 3.41Å; N86-N88 WeakPolarHBondContact OD1-CB 3.41Å; N86-N88 PolarHBondContact OD1-N 2.81Å; N88-Q90 HydrophobicContact CB-CG 3.99Å; N88-Q90 PolarHBondContact O-N 2.85Å; N88-Q90 VanDerWaalsContact O-N 3.1Å
89	H	71.9	Confident	75.9	Confident	28 Å²	28	54.4 Å²	54.4	13%	0.13	27%	0.274	C	S	.	.			trans	56.5	12.7	-171	-60.2	-89.4	0	0	0	115.6	W52 N86 E87 F316	W52-H89 HydrophobicContact CD2-CB 4.37Å; W52-H89 VanDerWaalsContact CE2-CB 3.5Å; W52-H89 HydrophobicContact CH2-CB 4.35Å; W52-H89 WeakPolarHBondContact CH2-O 3.48Å; W52-H89 HydrophobicContact CZ2-CB 3.56Å; W52-H89 WeakPolarHBondContact CZ2-O 3.46Å; W52-H89 AromaticContact NE1-CG 3.53Å; W52-H89 AromaticContact NE1-ND1 3.73Å; N86-H89 VanDerWaalsContact O-CA 3.25Å; N86-H89 WeakPolarHBondContact O-CA 3.39Å; N86-H89 PolarHBondContact O-N 3.03Å; N86-H89 PolarHBondContact OD1-N 2.89Å; E87-H89 PolarHBondContact O-N 3.25Å; H89-F316 AromaticContact CE1-CE2 3.61Å; H89-F316 AromaticContact CE1-CZ 3.3Å; H89-F316 WeakPolarHBondContact CE1-CZ 3.48Å; H89-F316 AromaticContact ND1-CE1 3.89Å; H89-F316 AromaticContact ND1-CE2 3.44Å; H89-F316 WeakPolarHBondContact ND1-CE2 3.42Å; H89-F316 AromaticContact ND1-CZ 3.32Å; H89-F316 VanDerWaalsContact ND1-CZ 3.32Å; H89-F316 WeakPolarHBondContact ND1-CZ 3.3Å
90	Q	70.4	Confident	77.4	Confident	99 Å²	99	48.1 Å²	48.1	46%	0.463	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-72.3	137	-178.4	-61.2	160.5	-15.6	0	0	109.9	L85 N86 N88	L85-Q90 WeakPolarHBondContact CA-O 3.39Å; N86-Q90 PolarHBondContact N-O 3.46Å; N86-Q90 VanDerWaalsContact N-O 3.07Å; N86-Q90 PolarHBondContact ND2-OE1 3.08Å; N86-Q90 WeakPolarHBondContact OD1-CB 3.27Å; N86-Q90 PolarHBondContact OD1-N 2.97Å; N88-Q90 HydrophobicContact CB-CG 3.99Å; N88-Q90 PolarHBondContact O-N 2.85Å; N88-Q90 VanDerWaalsContact O-N 3.1Å
91	P	69.7	Low	78.4	Confident	50 Å²	50	47.4 Å²	47.4	33%	0.325	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-71.8	160.3	176.2	31.7	-36	0	0	0	111.7	L85 R270	L85-P91 HydrophobicContact CD2-CB 3.89Å; P91-R270 VanDerWaalsContact CB-NH2 3.34Å
92	T	67	Low	78.7	Confident	15 Å²	15	50.2 Å²	50.2	9%	0.092	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-54.1	137.4	168	-27.6	0	0	0	0	109.9	V84 H94	V84-T92 PolarHBondContact O-OG1 2.83Å; T92-H94 PolarHBondContact O-N 3.1Å; T92-H94 VanDerWaalsContact O-N 3.13Å
93	P	66.2	Low	78.9	Confident	93 Å²	93	58.5 Å²	58.5	60%	0.604	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-57.3	120.1	-174.3	19	-33.1	0	0	0	112.6	I95	P93-I95 PolarHBondContact O-N 3.26Å
94	H	73.3	Confident	78.7	Confident	67 Å²	67	61.3 Å²	61.3	31%	0.31	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69	123.4	171.6	179.6	-132.6	0	0	0	109.5	T92 T96 R112 S240 L241	T92-H94 PolarHBondContact O-N 3.1Å; T92-H94 VanDerWaalsContact O-N 3.13Å; H94-T96 WeakPolarHBondContact ND1-CG2 3.46Å; H94-T96 PolarHBondContact O-N 2.89Å; H94-R112 WeakPolarHBondContact CD2-CD 3.48Å; H94-S240 PolarHBondContact CE1-OG 3.35Å; H94-S240 VanDerWaalsContact NE2-CA 3.32Å; H94-S240 WeakPolarHBondContact NE2-CA 3.46Å; H94-S240 PolarHBondContact NE2-OG 2.9Å; H94-L241 PolarHBondContact CD2-O 3.13Å; H94-L241 VanDerWaalsContact CD2-O 3.27Å
95	I	81.8	Confident	78.3	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.015	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-88.7	109.6	-173.4	-68.9	172.4	0	0	0	108.7	P93 Q100 V101 T104 F109 L239 L241 V243	P93-I95 PolarHBondContact O-N 3.26Å; I95-Q100 HydrophobicContact CB-CB 4.48Å; I95-Q100 HydrophobicContact CG1-CB 4.27Å; I95-Q100 HydrophobicContact CG2-CB 3.89Å; I95-V101 HydrophobicContact CG2-CB 4.36Å; I95-V101 HydrophobicContact CG2-CG2 3.43Å; I95-V101 VanDerWaalsContact CG2-CG2 3.43Å; I95-T104 HydrophobicContact CD1-CG2 4.14Å; I95-F109 HydrophobicContact CD1-CD1 4.03Å; I95-F109 HydrophobicContact CD1-CE1 3.48Å; I95-F109 VanDerWaalsContact CD1-CE1 3.48Å; I95-L239 CarbonylContact O-C 3.59Å; I95-L241 HydrophobicContact CB-CB 4.06Å; I95-L241 HydrophobicContact CG2-CB 4.3Å; I95-L241 PolarHBondContact N-O 3.03Å; I95-L241 PolarHBondContact O-N 3.38Å; I95-L241 VanDerWaalsContact O-N 3.13Å; I95-V243 HydrophobicContact CD1-CG2 3.75Å
96	T	86	Confident	78.3	Confident	36 Å²	36	71.2 Å²	71.2	22%	0.221	34%	0.343	C	S	.	.			trans	-113.7	-16.6	-174.6	54.5	0	0	0	0	112.8	H94 Q100 I227 L239	H94-T96 WeakPolarHBondContact ND1-CG2 3.46Å; H94-T96 PolarHBondContact O-N 2.89Å; T96-Q100 PolarHBondContact OG1-OE1 2.91Å; T96-I227 WeakPolarHBondContact O-CD1 3.35Å; T96-L239 WeakPolarHBondContact CA-O 3.42Å; T96-L239 PolarHBondContact O-N 3.26Å
97	T	87	Confident	78.5	Confident	59 Å²	59	71 Å²	71	36%	0.362	35%	0.347	S	S	.	.	S	Bend	trans	-120	150.8	176.5	75.8	0	0	0	0	112.7	E99 Q100 V101	T97-E99 PolarHBondContact O-N 3.02Å; T97-Q100 WeakPolarHBondContact O-CB 3.4Å; T97-Q100 PolarHBondContact O-N 3.48Å; T97-Q100 VanDerWaalsContact O-N 3.15Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.32Å; T97-Q100 PolarHBondContact OG1-N 3.12Å; T97-Q100 VanDerWaalsContact OG1-N 3.17Å; T97-V101 PolarHBondContact O-N 2.84Å
98	L	86.9	Confident	79.1	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-35.6	174.9	-65.9	157.4	0	0	0	112	Q100 V101 R102 Y177 G193 V195 I227 L239	L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.03Å; L98-V101 WeakPolarHBondContact O-CB 3.32Å; L98-V101 PolarHBondContact O-N 2.96Å; L98-R102 PolarHBondContact O-N 3.47Å; L98-Y177 HydrophobicContact CB-CE2 4.12Å; L98-G193 WeakPolarHBondContact CD1-O 3.44Å; L98-V195 HydrophobicContact CD2-CB 4.15Å; L98-V195 HydrophobicContact CD2-CG2 3.7Å; L98-I227 HydrophobicContact CD1-CB 4.13Å; L98-I227 HydrophobicContact CD1-CD1 4.36Å; L98-I227 HydrophobicContact CD1-CG1 4.13Å; L98-I227 HydrophobicContact CG-CD1 4.01Å; L98-I227 HydrophobicContact CG-CG1 4.06Å; L98-L239 HydrophobicContact CD2-CD1 3.98Å; L98-L239 HydrophobicContact CG-CD1 4.25Å
99	E	85.1	Confident	80	Confident	58 Å²	58	60 Å²	60	27%	0.271	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-31.2	176.8	176.7	61.6	-177.7	0	0	112.2	T97 R102 R103	T97-E99 PolarHBondContact O-N 3.02Å; E99-R102 VanDerWaalsContact CD-NH2 3.33Å; E99-R102 IonicContact OE1-CZ 3.13Å; E99-R102 IonicContact OE1-NE 3.82Å; E99-R102 IonicContact OE1-NH2 3.33Å; E99-R102 PolarHBondContact OE1-NH2 3.09Å; E99-R102 IonicContact OE2-CZ 2.97Å; E99-R102 IonicContact OE2-NE 2.89Å; E99-R102 PolarHBondContact OE2-NE 2.71Å; E99-R102 IonicContact OE2-NH2 3.74Å; E99-R102 PolarHBondContact OE2-NH2 2.77Å; E99-R102 VanDerWaalsContact OE2-NH2 3.09Å; E99-R103 WeakPolarHBondContact O-CB 3.48Å; E99-R103 VanDerWaalsContact O-CG 3.24Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-N 2.9Å; E99-R103 IonicContact OE1-CZ 3.23Å; E99-R103 IonicContact OE1-NE 3.24Å; E99-R103 PolarHBondContact OE1-NE 3.1Å; E99-R103 IonicContact OE1-NH2 3.17Å; E99-R103 PolarHBondContact OE1-NH2 3.03Å
100	Q	86.6	Confident	80.7	Confident	68 Å²	68	58.7 Å²	58.7	32%	0.318	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-48.6	168.8	-76.7	167.9	-23.3	0	0	111	I95 T96 T97 L98 R102 R103 T104	I95-Q100 HydrophobicContact CB-CB 4.48Å; I95-Q100 HydrophobicContact CG1-CB 4.27Å; I95-Q100 HydrophobicContact CG2-CB 3.89Å; T96-Q100 PolarHBondContact OG1-OE1 2.91Å; T97-Q100 WeakPolarHBondContact O-CB 3.4Å; T97-Q100 PolarHBondContact O-N 3.48Å; T97-Q100 VanDerWaalsContact O-N 3.15Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.32Å; T97-Q100 PolarHBondContact OG1-N 3.12Å; T97-Q100 VanDerWaalsContact OG1-N 3.17Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.03Å; Q100-R102 VanDerWaalsContact C-N 3.28Å; Q100-R102 PolarHBondContact O-N 2.94Å; Q100-R103 PolarHBondContact O-N 3.26Å; Q100-R103 VanDerWaalsContact O-N 3.14Å; Q100-T104 WeakPolarHBondContact O-CB 3.34Å; Q100-T104 PolarHBondContact O-N 3.22Å; Q100-T104 PolarHBondContact O-OG1 2.95Å
101	V	86.2	Confident	81.5	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-51.2	-49.7	175.5	-173.5	0	0	0	0	110.7	I95 T97 L98 R103 T104 R105 F109 F174 V195 L239 L241	I95-V101 HydrophobicContact CG2-CB 4.36Å; I95-V101 HydrophobicContact CG2-CG2 3.43Å; I95-V101 VanDerWaalsContact CG2-CG2 3.43Å; T97-V101 PolarHBondContact O-N 2.84Å; L98-V101 WeakPolarHBondContact O-CB 3.32Å; L98-V101 PolarHBondContact O-N 2.96Å; V101-R103 PolarHBondContact O-N 2.88Å; V101-T104 PolarHBondContact O-N 3.12Å; V101-R105 PolarHBondContact O-N 3.47Å; V101-F109 HydrophobicContact CG1-CE2 3.93Å; V101-F109 HydrophobicContact CG1-CZ 3.84Å; V101-F174 HydrophobicContact CG1-CD2 3.72Å; V101-F174 HydrophobicContact CG1-CE2 3.92Å; V101-V195 HydrophobicContact CB-CG2 4.14Å; V101-V195 HydrophobicContact CG1-CG1 4.24Å; V101-V195 HydrophobicContact CG1-CG2 4Å; V101-V195 HydrophobicContact CG2-CG2 4.47Å; V101-L239 HydrophobicContact CG2-CD1 3.73Å; V101-L241 HydrophobicContact CG2-CD1 4.04Å
102	R	82.3	Confident	82	Confident	110 Å²	110	52.7 Å²	52.7	42%	0.415	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-40.1	-179.2	-168.4	-170.8	72.2	88.9	-0.7	113.2	L98 E99 Q100 Y177	L98-R102 PolarHBondContact O-N 3.47Å; E99-R102 VanDerWaalsContact CD-NH2 3.33Å; E99-R102 IonicContact OE1-CZ 3.13Å; E99-R102 IonicContact OE1-NE 3.82Å; E99-R102 IonicContact OE1-NH2 3.33Å; E99-R102 PolarHBondContact OE1-NH2 3.09Å; E99-R102 IonicContact OE2-CZ 2.97Å; E99-R102 IonicContact OE2-NE 2.89Å; E99-R102 PolarHBondContact OE2-NE 2.71Å; E99-R102 IonicContact OE2-NH2 3.74Å; E99-R102 PolarHBondContact OE2-NH2 2.77Å; E99-R102 VanDerWaalsContact OE2-NH2 3.09Å; Q100-R102 VanDerWaalsContact C-N 3.28Å; Q100-R102 PolarHBondContact O-N 2.94Å; R102-Y177 HydrophobicContact CB-CG 4.3Å; R102-Y177 HydrophobicContact CG-CD1 4.03Å; R102-Y177 HydrophobicContact CG-CG 4Å
103	R	83.7	Confident	82.7	Confident	175 Å²	175	57.7 Å²	57.7	66%	0.66	28%	0.278	S	S	*	.	H	α-helix	trans	-71.5	-38.5	178.5	-75.8	176	-169.7	-163.4	5.2	112.6	E99 Q100 V101 R105	E99-R103 WeakPolarHBondContact O-CB 3.48Å; E99-R103 VanDerWaalsContact O-CG 3.24Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-N 2.9Å; E99-R103 IonicContact OE1-CZ 3.23Å; E99-R103 IonicContact OE1-NE 3.24Å; E99-R103 PolarHBondContact OE1-NE 3.1Å; E99-R103 IonicContact OE1-NH2 3.17Å; E99-R103 PolarHBondContact OE1-NH2 3.03Å; Q100-R103 PolarHBondContact O-N 3.26Å; Q100-R103 VanDerWaalsContact O-N 3.14Å; V101-R103 PolarHBondContact O-N 2.88Å; R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 2.88Å
104	T	79.8	Confident	83.6	Confident	59 Å²	59	58.1 Å²	58.1	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-70.8	-26.1	-175.6	-60.3	0	0	0	0	113.2	I95 Q100 V101 A106 F109 V243	I95-T104 HydrophobicContact CD1-CG2 4.14Å; Q100-T104 WeakPolarHBondContact O-CB 3.34Å; Q100-T104 PolarHBondContact O-N 3.22Å; Q100-T104 PolarHBondContact O-OG1 2.95Å; V101-T104 PolarHBondContact O-N 3.12Å; T104-A106 HydrophobicContact CG2-CB 4.13Å; T104-A106 PolarHBondContact O-N 2.98Å; T104-F109 HydrophobicContact CG2-CE1 4.44Å; T104-V243 HydrophobicContact CG2-CG2 3.45Å; T104-V243 VanDerWaalsContact CG2-CG2 3.45Å
105	R	76.1	Confident	84.3	Confident	216 Å²	216	55.1 Å²	55.1	82%	0.815	26%	0.261	S	S	*	.			trans	54.9	12	175.5	-62.6	-178.3	175.2	-172.9	-1.1	116.1	V101 R103	V101-R105 PolarHBondContact O-N 3.47Å; R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 2.88Å
106	A	81.3	Confident	84.7	Confident	17 Å²	17	60.7 Å²	60.7	14%	0.14	28%	0.282	C	S	.	.			trans	-65.4	143.6	179.6	0	0	0	0	0	111.5	T104 F109 V243	T104-A106 HydrophobicContact CG2-CB 4.13Å; T104-A106 PolarHBondContact O-N 2.98Å; A106-F109 HydrophobicContact CB-CE1 4.06Å; A106-F109 HydrophobicContact CB-CE2 4.28Å; A106-F109 HydrophobicContact CB-CZ 3.78Å; A106-F109 WeakPolarHBondContact O-CE2 3.35Å; A106-V243 HydrophobicContact CB-CG1 3.66Å; A106-V243 HydrophobicContact CB-CG2 4.35Å
107	S	82.7	Confident	84.9	Confident	67 Å²	67	59.1 Å²	59.1	47%	0.469	27%	0.272	S	S	.	.	S	Bend	trans	-71.8	-31	-179.9	61.8	0	0	0	0	113	R173 F174	S107-R173 CarbonylContact O-C 3.42Å; S107-R173 WeakPolarHBondContact O-CA 3.35Å; S107-F174 PolarHBondContact O-N 2.82Å
108	T	87.5	Confident	85.1	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.1	-172.7	-51.6	0	0	0	0	111.6	L171 L172 I244	T108-L171 HydrophobicContact CG2-CB 4.46Å; T108-L172 CarbonylContact C-O 3.56Å; T108-L172 WeakPolarHBondContact CA-O 3.45Å; T108-I244 HydrophobicContact CG2-CB 4.13Å; T108-I244 HydrophobicContact CG2-CG1 3.87Å; T108-I244 PolarHBondContact O-N 3.4Å
109	F	88.3	Confident	85.2	Confident	5 Å²	5	57 Å²	57	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.3	176.3	-61	-88.4	0	0	0	110.3	I95 V101 T104 A106 L171 L172 F174 L241 S242 V243	I95-F109 HydrophobicContact CD1-CD1 4.03Å; I95-F109 HydrophobicContact CD1-CE1 3.48Å; I95-F109 VanDerWaalsContact CD1-CE1 3.48Å; V101-F109 HydrophobicContact CG1-CE2 3.93Å; V101-F109 HydrophobicContact CG1-CZ 3.84Å; T104-F109 HydrophobicContact CG2-CE1 4.44Å; A106-F109 HydrophobicContact CB-CE1 4.06Å; A106-F109 HydrophobicContact CB-CE2 4.28Å; A106-F109 HydrophobicContact CB-CZ 3.78Å; A106-F109 WeakPolarHBondContact O-CE2 3.35Å; F109-L171 WeakPolarHBondContact O-CA 3.4Å; F109-L172 PolarHBondContact N-O 3.09Å; F109-L172 PolarHBondContact O-N 2.82Å; F109-F174 HydrophobicContact CD2-CB 4.2Å; F109-F174 HydrophobicContact CE2-CB 3.75Å; F109-F174 HydrophobicContact CE2-CD2 4.43Å; F109-F174 HydrophobicContact CE2-CG 4.35Å; F109-L241 HydrophobicContact CB-CD2 4.12Å; F109-S242 CarbonylContact C-O 3.52Å; F109-S242 WeakPolarHBondContact CA-O 3.45Å; F109-V243 HydrophobicContact CD1-CG2 4.21Å; F109-V243 HydrophobicContact CE1-CG2 3.88Å
110	I	87.2	Confident	85.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.2	168.1	-173.8	164.7	0	0	0	110.5	W81 L171 L241 S242 I244 V253 I272 L274	W81-I110 HydrophobicContact CB-CD1 4.23Å; W81-I110 HydrophobicContact CD2-CD1 3.78Å; W81-I110 HydrophobicContact CG-CD1 3.56Å; W81-I110 HydrophobicContact CZ2-CD1 4.47Å; I110-L171 HydrophobicContact CB-CD2 3.83Å; I110-L171 HydrophobicContact CD1-CD2 4.15Å; I110-L171 HydrophobicContact CG1-CD2 4.03Å; I110-L241 WeakPolarHBondContact O-CA 3.35Å; I110-S242 PolarHBondContact N-O 2.92Å; I110-S242 PolarHBondContact O-N 2.95Å; I110-I244 HydrophobicContact CB-CD1 3.76Å; I110-I244 HydrophobicContact CB-CG1 4.41Å; I110-I244 HydrophobicContact CG2-CD1 3.8Å; I110-V253 HydrophobicContact CG2-CB 4.32Å; I110-V253 HydrophobicContact CG2-CG1 4.3Å; I110-V253 HydrophobicContact CG2-CG2 3.95Å; I110-I272 HydrophobicContact CG2-CD1 4.22Å; I110-L274 HydrophobicContact CD1-CD1 4.34Å
111	V	86.9	Confident	85.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.1	173.3	-178.9	0	0	0	0	109.4	Q113 M115 V166 R167 A168 G169 T170 L172 L241	V111-Q113 WeakPolarHBondContact CG1-O 3.43Å; V111-M115 HydrophobicContact CG1-CE 4.01Å; V111-M115 HydrophobicContact CG1-CG 4.49Å; V111-M115 HydrophobicContact CG2-CE 4.02Å; V111-V166 HydrophobicContact CG2-CG1 3.82Å; V111-R167 WeakPolarHBondContact CB-O 3.21Å; V111-R167 WeakPolarHBondContact CG1-O 3.43Å; V111-A168 WeakPolarHBondContact O-CA 3.25Å; V111-G169 PolarHBondContact O-N 3.4Å; V111-T170 PolarHBondContact N-O 2.82Å; V111-L172 HydrophobicContact CG2-CD1 3.66Å; V111-L172 HydrophobicContact CG2-CG 3.96Å; V111-L241 HydrophobicContact CG2-CD2 3.87Å
112	R	81.3	Confident	85	Confident	23 Å²	23	58 Å²	58	9%	0.087	28%	0.278	C	S	.	.	S	Bend	trans	-91.1	-27.7	179.9	-55.4	-173.5	82.3	140.6	15.1	113.8	E83 H94 A168 S240 S242	E83-R112 VanDerWaalsContact CD-NH1 3.33Å; E83-R112 IonicContact OE1-CZ 2.74Å; E83-R112 IonicContact OE1-NH1 3.51Å; E83-R112 PolarHBondContact OE1-NH1 3.03Å; E83-R112 IonicContact OE1-NH2 3.81Å; E83-R112 PolarHBondContact OE1-NH2 2.9Å; E83-R112 IonicContact OE2-CZ 3.45Å; E83-R112 IonicContact OE2-NH1 3.54Å; E83-R112 PolarHBondContact OE2-NH1 3.06Å; E83-R112 IonicContact OE2-NH2 3.57Å; E83-R112 PolarHBondContact OE2-NH2 3.12Å; H94-R112 WeakPolarHBondContact CD2-CD 3.48Å; R112-A168 WeakPolarHBondContact O-CB 3.26Å; R112-S240 PolarHBondContact N-O 3.41Å; R112-S242 WeakPolarHBondContact CD-OG 3.17Å; R112-S242 PolarHBondContact NH1-OG 3.29Å
113	Q	81.7	Confident	84.8	Confident	121 Å²	121	56.9 Å²	56.9	57%	0.565	28%	0.28	S	S	*	.	S	Bend	trans	-144.7	147.2	-174.2	-68.6	168.7	-31.1	0	0	108.1	V111 M115 S240	V111-Q113 WeakPolarHBondContact CG1-O 3.43Å; Q113-M115 WeakPolarHBondContact O-CG 3.29Å; Q113-M115 PolarHBondContact O-N 3.48Å; Q113-S240 PolarHBondContact OE1-OG 2.75Å
114	D	84.1	Confident	84.6	Confident	101 Å²	101	48.7 Å²	48.7	54%	0.54	25%	0.25	S	C	.	.			trans	-57.9	126.4	-178.1	-62	-10	0	0	0	111.5	V166 R167 A168	D114-V166 WeakPolarHBondContact CA-O 3.47Å; D114-R167 WeakPolarHBondContact OD1-CA 3.41Å; D114-A168 PolarHBondContact OD1-N 2.92Å
115	M	87.5	Confident	84.3	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.8	-177.2	-68.3	-165	-69	0	0	111.3	V111 Q113 F165 V166 L239 S240 L241	V111-M115 HydrophobicContact CG1-CE 4.01Å; V111-M115 HydrophobicContact CG1-CG 4.49Å; V111-M115 HydrophobicContact CG2-CE 4.02Å; Q113-M115 WeakPolarHBondContact O-CG 3.29Å; Q113-M115 PolarHBondContact O-N 3.48Å; M115-F165 CarbonylContact O-C 3.59Å; M115-F165 WeakPolarHBondContact O-CA 3.21Å; M115-V166 PolarHBondContact N-O 3.13Å; M115-V166 PolarHBondContact O-N 3.05Å; M115-L239 HydrophobicContact CE-CD2 4.42Å; M115-L239 HydrophobicContact SD-CB 4.12Å; M115-L239 HydrophobicContact SD-CD2 3.76Å; M115-S240 PolarHBondContact SD-N 3.1Å; M115-L241 HydrophobicContact CE-CD2 3.55Å; M115-L241 HydrophobicContact CE-CG 3.83Å
116	R	89.7	Confident	84.1	Confident	120 Å²	120	40.2 Å²	40.2	45%	0.453	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.5	169	-65.9	179	-177.4	177.5	-1.5	111.1	D164 F165 A233 V234 P236	R116-D164 WeakPolarHBondContact CA-O 3.34Å; R116-F165 HydrophobicContact CG-CD1 3.77Å; R116-F165 HydrophobicContact CG-CE1 3.38Å; R116-F165 HydrophobicContact CG-CE2 4.33Å; R116-F165 HydrophobicContact CG-CG 4.41Å; R116-F165 HydrophobicContact CG-CZ 3.7Å; R116-A233 PolarHBondContact NH1-O 3.29Å; R116-A233 VanDerWaalsContact NH1-O 3.09Å; R116-V234 WeakPolarHBondContact CB-O 3.45Å; R116-V234 WeakPolarHBondContact CD-O 3.44Å; R116-P236 WeakPolarHBondContact O-CD 3.48Å
117	C	91.3	Very high	83.3	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	175.8	177	67.8	0	0	0	0	110.5	P163 D164 V166 I223 Y224 L225	C117-P163 WeakPolarHBondContact O-CA 3.4Å; C117-D164 PolarHBondContact N-O 2.79Å; C117-D164 PolarHBondContact O-N 2.73Å; C117-D164 VanDerWaalsContact O-N 3.1Å; C117-D164 PolarHBondContact SG-O 3.26Å; C117-V166 HydrophobicContact CB-CG2 3.9Å; C117-I223 HydrophobicContact CB-CB 4.47Å; C117-Y224 WeakPolarHBondContact CA-O 3.48Å; C117-Y224 WeakPolarHBondContact CB-O 3.44Å; C117-L225 HydrophobicContact CB-CD2 4.12Å
118	L	90.5	Very high	82.1	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123	159.5	-68.5	169.7	0	0	0	108.1	S161 K162 P163 V183 I223 Y224 V234 F235	L118-S161 WeakPolarHBondContact CD1-OG 3.47Å; L118-K162 CarbonylContact C-O 3.46Å; L118-K162 WeakPolarHBondContact CA-O 3.32Å; L118-P163 HydrophobicContact CD2-CB 4.3Å; L118-V183 HydrophobicContact CD1-CG1 4.45Å; L118-I223 CarbonylContact O-C 3.58Å; L118-I223 WeakPolarHBondContact O-CA 3.19Å; L118-Y224 HydrophobicContact CB-CD2 4.18Å; L118-Y224 PolarHBondContact N-O 3.15Å; L118-Y224 PolarHBondContact O-N 2.74Å; L118-V234 HydrophobicContact CD2-CG1 3.83Å; L118-V234 HydrophobicContact CG-CG1 4.2Å; L118-F235 HydrophobicContact CB-CZ 4.47Å; L118-F235 HydrophobicContact CD1-CE1 4.33Å; L118-F235 HydrophobicContact CD1-CE2 4.19Å; L118-F235 HydrophobicContact CD1-CZ 3.57Å; L118-F235 HydrophobicContact CG-CE1 4.07Å; L118-F235 HydrophobicContact CG-CZ 3.81Å
119	V	90.2	Very high	80.3	Confident	28 Å²	28	44.4 Å²	44.4	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.3	168.2	176	0	0	0	0	108	S161 K162 D164 I223	V119-S161 CarbonylContact O-C 3.57Å; V119-S161 VanDerWaalsContact O-CA 3.28Å; V119-S161 WeakPolarHBondContact O-CA 3.49Å; V119-S161 VanDerWaalsContact O-CB 3.31Å; V119-S161 WeakPolarHBondContact O-CB 3.22Å; V119-K162 PolarHBondContact N-O 2.77Å; V119-K162 PolarHBondContact O-N 3.01Å; V119-D164 HydrophobicContact CG2-CB 3.51Å; V119-I223 HydrophobicContact CG2-CG2 4.08Å
120	A	88.9	Confident	78.1	Confident	12 Å²	12	49.4 Å²	49.4	10%	0.099	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-66.2	147.4	178.8	0	0	0	0	0	111.3	L124 T222 Y224	A120-L124 HydrophobicContact CB-CB 4.18Å; A120-L124 HydrophobicContact CB-CD2 3.83Å; A120-T222 HydrophobicContact CB-CG2 3.76Å; A120-T222 WeakPolarHBondContact CB-O 3.21Å; A120-T222 PolarHBondContact N-O 2.77Å; A120-Y224 HydrophobicContact CB-CD2 4.32Å; A120-Y224 HydrophobicContact CB-CE2 3.68Å
121	P	85.8	Confident	75.9	Confident	12 Å²	12	54 Å²	54	8%	0.078	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65.4	155	174.3	30.8	-37.4	0	0	0	111.3	N123 L124 T157 N160	P121-N123 VanDerWaalsContact CB-OD1 3.28Å; P121-N123 WeakPolarHBondContact CB-OD1 3.4Å; P121-N123 WeakPolarHBondContact CG-OD1 3.24Å; P121-N123 PolarHBondContact O-N 2.74Å; P121-L124 PolarHBondContact O-N 3.07Å; P121-T157 WeakPolarHBondContact CD-O 3.41Å; P121-T157 HydrophobicContact CG-CG2 3.64Å; P121-T157 WeakPolarHBondContact CG-O 3.29Å; P121-N160 HydrophobicContact CB-CB 3.96Å; P121-N160 HydrophobicContact CG-CB 4.01Å
122	P	77.7	Confident	73.4	Confident	124 Å²	124	60.4 Å²	60.4	81%	0.805	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-3.7	-168.2	28.1	-36.7	0	0	0	115.2	L124 V125	P122-L124 VanDerWaalsContact C-N 3.35Å; P122-V125 VanDerWaalsContact O-CG2 3.27Å; P122-V125 WeakPolarHBondContact O-CG2 3.46Å
123	N	78.3	Confident	71.2	Confident	86 Å²	86	68 Å²	68	46%	0.46	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.4	168.5	62.7	-63.7	0	0	0	113	P121 V125	P121-N123 VanDerWaalsContact CB-OD1 3.28Å; P121-N123 WeakPolarHBondContact CB-OD1 3.4Å; P121-N123 WeakPolarHBondContact CG-OD1 3.24Å; P121-N123 PolarHBondContact O-N 2.74Å; N123-V125 VanDerWaalsContact C-N 3.35Å; N123-V125 PolarHBondContact O-N 3.29Å
124	L	79.9	Confident	69.1	Low	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.353	C	S	.	.			trans	-93.9	62.7	173.9	-168.1	70.9	0	0	0	110.6	A120 P121 P122 I126 L151 A152 T157 L196 T222	A120-L124 HydrophobicContact CB-CB 4.18Å; A120-L124 HydrophobicContact CB-CD2 3.83Å; P121-L124 PolarHBondContact O-N 3.07Å; P122-L124 VanDerWaalsContact C-N 3.35Å; L124-I126 PolarHBondContact O-N 3.46Å; L124-L151 HydrophobicContact CD1-CB 4.19Å; L124-L151 HydrophobicContact CD1-CD2 3.92Å; L124-L151 HydrophobicContact CD1-CG 3.99Å; L124-A152 HydrophobicContact CD1-CB 4.02Å; L124-A152 HydrophobicContact CD2-CB 3.74Å; L124-T157 HydrophobicContact CB-CG2 4.34Å; L124-T157 HydrophobicContact CD2-CG2 4.37Å; L124-L196 HydrophobicContact CD2-CD1 4.17Å; L124-T222 HydrophobicContact CD2-CG2 3.93Å; L124-T222 HydrophobicContact CG-CG2 4.33Å
125	V	72.3	Confident	66.9	Low	73 Å²	73	71.1 Å²	71.1	44%	0.442	37%	0.368	S	S	.	.			trans	-77.9	111.5	171	-173.9	0	0	0	0	109.2	P122 N123 L219	P122-V125 VanDerWaalsContact O-CG2 3.27Å; P122-V125 WeakPolarHBondContact O-CG2 3.46Å; N123-V125 VanDerWaalsContact C-N 3.35Å; N123-V125 PolarHBondContact O-N 3.29Å; V125-L219 HydrophobicContact CG1-CD2 3.81Å; V125-L219 HydrophobicContact CG2-CD2 4.17Å
126	I	73.5	Confident	64.1	Low	23 Å²	23	76.5 Å²	76.5	12%	0.118	40%	0.397	C	S	.	.			trans	-79.3	124.8	167.3	-62.8	174.2	0	0	0	107.6	L124 S128 I175 L196 V198 T222	L124-I126 PolarHBondContact O-N 3.46Å; I126-S128 PolarHBondContact O-N 2.87Å; I126-I175 HydrophobicContact CD1-CB 4.37Å; I126-I175 HydrophobicContact CD1-CG1 3.94Å; I126-I175 HydrophobicContact CD1-CG2 4.01Å; I126-I175 HydrophobicContact CG2-CD1 4.09Å; I126-L196 HydrophobicContact CD1-CD1 4.42Å; I126-L196 HydrophobicContact CD1-CD2 3.93Å; I126-L196 HydrophobicContact CD1-CG 3.98Å; I126-V198 HydrophobicContact CB-CG2 4.02Å; I126-V198 HydrophobicContact CD1-CG2 3.7Å; I126-V198 HydrophobicContact CG1-CG2 4.43Å; I126-V198 HydrophobicContact CG2-CG2 4.11Å; I126-T222 HydrophobicContact CD1-CG2 3.4Å; I126-T222 VanDerWaalsContact CD1-CG2 3.4Å; I126-T222 WeakPolarHBondContact CD1-OG1 3.38Å; I126-T222 HydrophobicContact CG1-CG2 4Å
127	P	63.7	Low	61.6	Low	74 Å²	74	75.6 Å²	75.6	48%	0.481	40%	0.401	S	S	.	.			trans	-63.5	123.5	179.8	25	-32.9	0	0	0	110.3	S129	P127-S129 PolarHBondContact O-N 3.23Å; P127-S129 VanDerWaalsContact O-N 3.08Å
128	S	57.6	Low	58.7	Low	87 Å²	87	81.8 Å²	81.8	61%	0.608	43%	0.434	S	S	*	.			trans	-61.9	110	168.4	53	0	0	0	0	108.7	I126 D130	I126-S128 PolarHBondContact O-N 2.87Å; S128-D130 PolarHBondContact O-N 2.82Å
129	S	50.6	Low	56.3	Low	27 Å²	27	86.4 Å²	86.4	19%	0.189	46%	0.462	C	S	.	.			trans	-58.9	130.3	171.8	68.8	0	0	0	0	109	P127 D131 R173	P127-S129 PolarHBondContact O-N 3.23Å; P127-S129 VanDerWaalsContact O-N 3.08Å; S129-D131 PolarHBondContact O-N 3.14Å; S129-D131 VanDerWaalsContact O-N 3.08Å; S129-R173 PolarHBondContact OG-NH1 2.84Å; S129-R173 PolarHBondContact OG-NH2 3.5Å
130	D	41.6	Very low	53.9	Low	110 Å²	110	89.3 Å²	89.3	59%	0.588	48%	0.484	S	S	*	.			trans	-38.7	113.2	178.1	-119.9	-48.6	0	0	0	112.4	S128 R132 R133	S128-D130 PolarHBondContact O-N 2.82Å; D130-R132 HydrophobicContact CB-CB 4.41Å; D130-R132 HydrophobicContact CB-CG 4.5Å; D130-R132 PolarHBondContact O-N 2.74Å; D130-R132 WeakPolarHBondContact OD1-CD 3.45Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; D130-R133 PolarHBondContact O-N 3.03Å
131	D	41.1	Very low	51.8	Low	95 Å²	95	94.1 Å²	94.1	51%	0.508	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-58.6	-15.9	178.3	-61.9	-57.8	0	0	0	111.6	S129 R133 E134	S129-D131 PolarHBondContact O-N 3.14Å; S129-D131 VanDerWaalsContact O-N 3.08Å; D131-R133 PolarHBondContact O-N 3.06Å; D131-R133 VanDerWaalsContact O-N 3.1Å; D131-E134 WeakPolarHBondContact O-CB 3.32Å; D131-E134 WeakPolarHBondContact O-CG 3.17Å; D131-E134 PolarHBondContact O-N 3.2Å
132	R	34.1	Very low	50.2	Low	135 Å²	135	99.6 Å²	99.6	51%	0.509	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-59	-15.7	172.7	-49.5	-174.6	78.6	98.9	6.7	114.1	D130 G497 L498	D130-R132 HydrophobicContact CB-CB 4.41Å; D130-R132 HydrophobicContact CB-CG 4.5Å; D130-R132 PolarHBondContact O-N 2.74Å; D130-R132 WeakPolarHBondContact OD1-CD 3.45Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; R132-G497 VanDerWaalsContact CZ-C 3.49Å; R132-G497 PolarHBondContact NH1-O 3.25Å; R132-G497 VanDerWaalsContact NH2-C 3.28Å; R132-G497 PolarHBondContact NH2-O 2.85Å; R132-L498 VanDerWaalsContact NH1-N 3.17Å; R132-L498 PolarHBondContact NH1-O 3.03Å
133	R	35.7	Very low	49.1	Very low	184 Å²	184	98.8 Å²	98.8	69%	0.694	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-86.1	-5.4	173	-70.2	-163.9	-177.7	-164.3	3.2	114.4	D130 D131 L135 N136	D130-R133 PolarHBondContact O-N 3.03Å; D131-R133 PolarHBondContact O-N 3.06Å; D131-R133 VanDerWaalsContact O-N 3.1Å; R133-L135 PolarHBondContact O-N 2.87Å; R133-N136 CarbonylContact O-C 3.53Å; R133-N136 PolarHBondContact O-N 2.85Å
134	E	36.8	Very low	48.5	Very low	122 Å²	122	96.3 Å²	96.3	57%	0.57	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	4.6	-178.2	-67.7	-150.4	117.5	0	0	115.8	D131 R200	D131-E134 WeakPolarHBondContact O-CB 3.32Å; D131-E134 WeakPolarHBondContact O-CG 3.17Å; D131-E134 PolarHBondContact O-N 3.2Å; E134-R200 VanDerWaalsContact CD-NH2 3.26Å; E134-R200 IonicContact OE1-CZ 2.71Å; E134-R200 IonicContact OE1-NH1 2.92Å; E134-R200 PolarHBondContact OE1-NH1 3.17Å; E134-R200 IonicContact OE1-NH2 3.09Å; E134-R200 PolarHBondContact OE1-NH2 2.7Å; E134-R200 IonicContact OE2-NH2 2.77Å; E134-R200 PolarHBondContact OE2-NH2 2.95Å; E134-R200 VanDerWaalsContact OE2-NH2 3.13Å
135	L	37	Very low	48	Very low	164 Å²	164	99.2 Å²	99.2	86%	0.859	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-21.1	168.1	-149.8	74.8	0	0	0	113.9	R133	R133-L135 PolarHBondContact O-N 2.87Å
136	N	29.7	Very low	48.2	Very low	118 Å²	118	100.2 Å²	100.2	63%	0.631	55%	0.545	S	S	*	.	S	Bend	trans	-114.1	93.8	175	-76.9	22.7	0	0	0	108.6	R133 D138	R133-N136 CarbonylContact O-C 3.53Å; R133-N136 PolarHBondContact O-N 2.85Å; N136-D138 PolarHBondContact O-N 3.04Å
137	D	36.4	Very low	48.5	Very low	102 Å²	102	103 Å²	103	55%	0.545	57%	0.566	S	S	.	*			trans	-75.3	44.9	-172.3	-151	-6.8	0	0	0	112.6	T139 P247	D137-T139 PolarHBondContact O-N 3.27Å; D137-P247 HydrophobicContact CB-CB 4.01Å; D137-P247 HydrophobicContact CB-CG 4.25Å; D137-P247 VanDerWaalsContact OD2-CB 3.29Å; D137-P247 WeakPolarHBondContact OD2-CB 3.24Å; D137-P247 WeakPolarHBondContact OD2-CD 3.37Å
138	D	31.2	Very low	49.4	Very low	131 Å²	131	101.1 Å²	101.1	70%	0.701	55%	0.552	S	S	*	*			trans	-70.1	111.4	-178.2	-86.5	-43.8	0	0	0	110.9	N136 S140	N136-D138 PolarHBondContact O-N 3.04Å; D138-S140 PolarHBondContact O-N 2.95Å
139	T	40.9	Very low	50.6	Low	103 Å²	103	99.4 Å²	99.4	63%	0.632	54%	0.536	S	S	*	.			trans	-72.9	12.6	-163.5	17.4	0	0	0	0	116.7	D137 P141 P247	D137-T139 PolarHBondContact O-N 3.27Å; T139-P141 VanDerWaalsContact O-CD 3.27Å; T139-P141 WeakPolarHBondContact O-CD 3.44Å; T139-P247 HydrophobicContact CG2-CG 3.63Å
140	S	38.5	Very low	52.2	Low	90 Å²	90	103 Å²	103	63%	0.629	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-65	118.1	174.9	63.9	0	0	0	0	110.1	D138 Y142	D138-S140 PolarHBondContact O-N 2.95Å; S140-Y142 PolarHBondContact O-N 2.67Å; S140-Y142 VanDerWaalsContact O-N 3.09Å
141	P	46.3	Very low	54.3	Low	113 Å²	113	100.3 Å²	100.3	73%	0.734	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-60.6	119.9	168.9	26.2	-32.5	0	0	0	107.3	T139 P143	T139-P141 VanDerWaalsContact O-CD 3.27Å; T139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-P143 VanDerWaalsContact O-N 3.11Å
142	Y	50.3	Low	56.5	Low	126 Å²	126	95.8 Å²	95.8	49%	0.494	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-53.3	120.2	-173.9	-164.1	-83.1	0	0	0	108.7	S140 I144	S140-Y142 PolarHBondContact O-N 2.67Å; S140-Y142 VanDerWaalsContact O-N 3.09Å; Y142-I144 VanDerWaalsContact C-N 3.34Å; Y142-I144 VanDerWaalsContact O-CD1 3.23Å; Y142-I144 WeakPolarHBondContact O-CD1 3.02Å; Y142-I144 WeakPolarHBondContact O-CG1 2.94Å; Y142-I144 PolarHBondContact O-N 2.96Å
143	P	55.1	Low	59	Low	108 Å²	108	91.2 Å²	91.2	70%	0.701	51%	0.506	S	S	*	.			trans	-69.3	93.2	-169.8	26	-33.8	0	0	0	109.7	P141 P145	P141-P143 VanDerWaalsContact O-N 3.11Å; P143-P145 WeakPolarHBondContact O-CD 3.35Å
144	I	66.1	Low	61.4	Low	34 Å²	34	83.4 Å²	83.4	17%	0.174	48%	0.48	C	S	.	.			trans	-61.5	125.8	177.6	-58	107.4	0	0	0	107.7	Y142 S146 L148 I149 I175	Y142-I144 VanDerWaalsContact C-N 3.34Å; Y142-I144 VanDerWaalsContact O-CD1 3.23Å; Y142-I144 WeakPolarHBondContact O-CD1 3.02Å; Y142-I144 WeakPolarHBondContact O-CG1 2.94Å; Y142-I144 PolarHBondContact O-N 2.96Å; I144-S146 PolarHBondContact O-N 3.13Å; I144-L148 HydrophobicContact CG2-CB 3.87Å; I144-L148 HydrophobicContact CG2-CD1 4.2Å; I144-I149 HydrophobicContact CB-CG1 4.5Å; I144-I149 HydrophobicContact CG2-CG1 4.12Å; I144-I175 HydrophobicContact CD1-CG2 3.48Å; I144-I175 VanDerWaalsContact CD1-CG2 3.48Å; I144-I175 WeakPolarHBondContact CD1-O 3.46Å; I144-I175 HydrophobicContact CG1-CG2 3.67Å
145	P	69.7	Low	63.7	Low	65 Å²	65	80.8 Å²	80.8	42%	0.422	47%	0.473	S	S	.	.			trans	-48.9	130.4	175.8	-30.1	35	0	0	0	111.3	P143 S147 L148 I149	P143-P145 WeakPolarHBondContact O-CD 3.35Å; P145-S147 PolarHBondContact O-N 2.97Å; P145-L148 HydrophobicContact CB-CG 4.48Å; P145-L148 HydrophobicContact CG-CD1 4.48Å; P145-L148 WeakPolarHBondContact O-CB 3.33Å; P145-L148 PolarHBondContact O-N 3.19Å; P145-I149 PolarHBondContact O-N 2.73Å
146	S	76.4	Confident	66.1	Low	93 Å²	93	78.7 Å²	78.7	65%	0.65	46%	0.459	S	S	*	.	H	α-helix	trans	-56	-29.7	-177.9	-49.8	0	0	0	0	112.2	I144 L148 I149 T150	I144-S146 PolarHBondContact O-N 3.13Å; S146-L148 PolarHBondContact O-N 2.83Å; S146-I149 WeakPolarHBondContact O-CB 3.09Å; S146-I149 PolarHBondContact O-N 2.84Å; S146-I149 VanDerWaalsContact O-N 3.1Å; S146-T150 PolarHBondContact O-N 2.83Å; S146-T150 PolarHBondContact O-OG1 3.42Å; S146-T150 VanDerWaalsContact O-OG1 3.11Å
147	S	80.1	Confident	68.8	Low	81 Å²	81	73.3 Å²	73.3	57%	0.566	43%	0.43	S	S	*	.	H	α-helix	trans	-58.2	-38.5	171.5	50	0	0	0	0	114.1	P145 I149 L151	P145-S147 PolarHBondContact O-N 2.97Å; S147-I149 VanDerWaalsContact C-N 3.35Å; S147-L151 WeakPolarHBondContact O-CB 3.38Å; S147-L151 PolarHBondContact O-N 2.95Å
148	L	81.9	Confident	71.2	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.188	41%	0.405	C	S	.	.	H	α-helix	trans	-71.4	-30.8	173.9	-68.7	-177.8	0	0	0	111.8	I144 P145 S146 L151 A152	I144-L148 HydrophobicContact CG2-CB 3.87Å; I144-L148 HydrophobicContact CG2-CD1 4.2Å; P145-L148 HydrophobicContact CB-CG 4.48Å; P145-L148 HydrophobicContact CG-CD1 4.48Å; P145-L148 WeakPolarHBondContact O-CB 3.33Å; P145-L148 PolarHBondContact O-N 3.19Å; S146-L148 PolarHBondContact O-N 2.83Å; L148-L151 HydrophobicContact CD2-CD2 4.45Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.34Å; L148-A152 PolarHBondContact O-N 3.11Å
149	I	83.9	Confident	73.8	Confident	51 Å²	51	65.3 Å²	65.3	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-70.4	-44.6	173.9	-57.1	179.3	0	0	0	109.9	I144 P145 S146 S147 L151 A152 C153 L178	I144-I149 HydrophobicContact CB-CG1 4.5Å; I144-I149 HydrophobicContact CG2-CG1 4.12Å; P145-I149 PolarHBondContact O-N 2.73Å; S146-I149 WeakPolarHBondContact O-CB 3.09Å; S146-I149 PolarHBondContact O-N 2.84Å; S146-I149 VanDerWaalsContact O-N 3.1Å; S147-I149 VanDerWaalsContact C-N 3.35Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.29Å; I149-A152 PolarHBondContact O-N 2.72Å; I149-C153 PolarHBondContact O-N 2.91Å; I149-C153 PolarHBondContact O-SG 2.65Å; I149-C153 VanDerWaalsContact O-SG 3.4Å; I149-L178 HydrophobicContact CG2-CD2 3.85Å
150	T	84.3	Confident	75.9	Confident	101 Å²	101	65.3 Å²	65.3	62%	0.62	39%	0.392	S	S	*	.	H	α-helix	trans	-59.5	-43.9	172.9	-56.2	0	0	0	0	111.5	S146 C153 S154	S146-T150 PolarHBondContact O-N 2.83Å; S146-T150 PolarHBondContact O-OG1 3.42Å; S146-T150 VanDerWaalsContact O-OG1 3.11Å; T150-C153 PolarHBondContact O-N 3.2Å; T150-S154 PolarHBondContact O-N 3.27Å; T150-S154 VanDerWaalsContact O-N 3.09Å
151	L	85.9	Confident	78.3	Confident	55 Å²	55	61.7 Å²	61.7	29%	0.288	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-44.5	174.8	-175.6	63.8	0	0	0	111.4	L124 S147 L148 I149 C153 S154 T157	L124-L151 HydrophobicContact CD1-CB 4.19Å; L124-L151 HydrophobicContact CD1-CD2 3.92Å; L124-L151 HydrophobicContact CD1-CG 3.99Å; S147-L151 WeakPolarHBondContact O-CB 3.38Å; S147-L151 PolarHBondContact O-N 2.95Å; L148-L151 HydrophobicContact CD2-CD2 4.45Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.29Å; L151-C153 VanDerWaalsContact C-N 3.27Å; L151-C153 PolarHBondContact O-N 3.46Å; L151-S154 WeakPolarHBondContact O-CB 3.42Å; L151-S154 PolarHBondContact O-N 2.87Å; L151-S154 VanDerWaalsContact O-N 3.07Å; L151-S154 PolarHBondContact O-OG 3.01Å; L151-T157 WeakPolarHBondContact O-CB 3.47Å; L151-T157 PolarHBondContact O-OG1 3.45Å
152	A	85.9	Confident	80.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-32.2	177.5	0	0	0	0	0	113.3	L124 L148 I149 L178 L196 Y224	L124-A152 HydrophobicContact CD1-CB 4.02Å; L124-A152 HydrophobicContact CD2-CB 3.74Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.34Å; L148-A152 PolarHBondContact O-N 3.11Å; I149-A152 PolarHBondContact O-N 2.72Å; A152-L178 HydrophobicContact CB-CD1 3.98Å; A152-L196 HydrophobicContact CB-CD2 3.87Å; A152-Y224 WeakPolarHBondContact CA-OH 3.42Å; A152-Y224 HydrophobicContact CB-CE1 4.37Å; A152-Y224 VanDerWaalsContact O-CE1 3.31Å; A152-Y224 WeakPolarHBondContact O-CE1 3.43Å; A152-Y224 PolarHBondContact O-OH 3.18Å
153	C	87.8	Confident	82.1	Confident	38 Å²	38	62.2 Å²	62.2	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-82.4	-12.9	174.8	-68.2	0	0	0	0	114.1	I149 T150 L151 L158	I149-C153 PolarHBondContact O-N 2.91Å; I149-C153 PolarHBondContact O-SG 2.65Å; I149-C153 VanDerWaalsContact O-SG 3.4Å; T150-C153 PolarHBondContact O-N 3.2Å; L151-C153 VanDerWaalsContact C-N 3.27Å; L151-C153 PolarHBondContact O-N 3.46Å; C153-L158 WeakPolarHBondContact O-CD1 3.35Å
154	S	85.9	Confident	83.7	Confident	21 Å²	21	59.7 Å²	59.7	15%	0.147	35%	0.351	C	S	.	.			trans	-64	133.8	-174.7	64.3	0	0	0	0	111.9	T150 L151 E156 T157 L158	T150-S154 PolarHBondContact O-N 3.27Å; T150-S154 VanDerWaalsContact O-N 3.09Å; L151-S154 WeakPolarHBondContact O-CB 3.42Å; L151-S154 PolarHBondContact O-N 2.87Å; L151-S154 VanDerWaalsContact O-N 3.07Å; L151-S154 PolarHBondContact O-OG 3.01Å; S154-E156 PolarHBondContact O-N 3.04Å; S154-T157 PolarHBondContact O-N 2.91Å; S154-T157 VanDerWaalsContact O-N 3.13Å; S154-T157 WeakPolarHBondContact OG-CB 3.45Å; S154-T157 PolarHBondContact OG-N 3.38Å; S154-T157 PolarHBondContact OG-OG1 3.4Å; S154-L158 WeakPolarHBondContact O-CG 3.3Å; S154-L158 PolarHBondContact O-N 3.37Å
155	P	84.8	Confident	84.8	Confident	67 Å²	67	63.7 Å²	63.7	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-24.5	-177.5	25.4	-32.6	0	0	0	112.4	A159	P155-A159 WeakPolarHBondContact O-CB 3.34Å; P155-A159 PolarHBondContact O-N 3.45Å
156	E	86.5	Confident	85.6	Confident	120 Å²	120	61 Å²	61	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-67.7	-47.5	172.9	-61	68.6	-149.1	0	0	111.2	S154 L158 A159 N160	S154-E156 PolarHBondContact O-N 3.04Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-A159 PolarHBondContact O-N 3.24Å; E156-N160 WeakPolarHBondContact O-CB 3.41Å; E156-N160 VanDerWaalsContact O-CG 3.29Å; E156-N160 PolarHBondContact O-N 3.4Å; E156-N160 PolarHBondContact O-ND2 3.14Å; E156-N160 VanDerWaalsContact O-ND2 3.07Å
157	T	86.9	Confident	85.9	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-39.4	177.5	-62.4	0	0	0	0	110.7	P121 L124 L151 S154 N160 S161	P121-T157 WeakPolarHBondContact CD-O 3.41Å; P121-T157 HydrophobicContact CG-CG2 3.64Å; P121-T157 WeakPolarHBondContact CG-O 3.29Å; L124-T157 HydrophobicContact CB-CG2 4.34Å; L124-T157 HydrophobicContact CD2-CG2 4.37Å; L151-T157 WeakPolarHBondContact O-CB 3.47Å; L151-T157 PolarHBondContact O-OG1 3.45Å; S154-T157 PolarHBondContact O-N 2.91Å; S154-T157 VanDerWaalsContact O-N 3.13Å; S154-T157 WeakPolarHBondContact OG-CB 3.45Å; S154-T157 PolarHBondContact OG-N 3.38Å; S154-T157 PolarHBondContact OG-OG1 3.4Å; T157-N160 PolarHBondContact O-N 3.46Å; T157-S161 PolarHBondContact O-N 3.03Å; T157-S161 VanDerWaalsContact O-N 3.1Å
158	L	86.5	Confident	86	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-68.6	-36.6	174.8	-68.7	165.7	0	0	0	112.6	C153 S154 E156 S161 C181 V183 L194 Y224	C153-L158 WeakPolarHBondContact O-CD1 3.35Å; S154-L158 WeakPolarHBondContact O-CG 3.3Å; S154-L158 PolarHBondContact O-N 3.37Å; E156-L158 VanDerWaalsContact C-N 3.33Å; L158-S161 WeakPolarHBondContact O-CB 3.3Å; L158-S161 PolarHBondContact O-N 3.28Å; L158-S161 PolarHBondContact O-OG 2.93Å; L158-C181 HydrophobicContact CD1-CB 3.72Å; L158-V183 HydrophobicContact CD1-CG2 4.49Å; L158-L194 HydrophobicContact CD2-CD1 3.78Å; L158-Y224 HydrophobicContact CD2-CD1 4.07Å; L158-Y224 HydrophobicContact CD2-CE1 3.62Å; L158-Y224 HydrophobicContact CD2-CE2 4.13Å; L158-Y224 HydrophobicContact CD2-CG 4.47Å
159	A	85.6	Confident	85.6	Confident	61 Å²	61	58.9 Å²	58.9	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-71.2	-30	175.1	0	0	0	0	0	113.1	P155 E156 S161	P155-A159 WeakPolarHBondContact O-CB 3.34Å; P155-A159 PolarHBondContact O-N 3.45Å; E156-A159 PolarHBondContact O-N 3.24Å; A159-S161 VanDerWaalsContact C-N 3.34Å
160	N	86.6	Confident	85.6	Confident	103 Å²	103	57.5 Å²	57.5	55%	0.551	32%	0.317	S	S	*	.	S	Bend	trans	-83.3	-8.2	174.8	-71.2	-36.2	0	0	0	113.5	P121 E156 T157	P121-N160 HydrophobicContact CB-CB 3.96Å; P121-N160 HydrophobicContact CG-CB 4.01Å; E156-N160 WeakPolarHBondContact O-CB 3.41Å; E156-N160 VanDerWaalsContact O-CG 3.29Å; E156-N160 PolarHBondContact O-N 3.4Å; E156-N160 PolarHBondContact O-ND2 3.14Å; E156-N160 VanDerWaalsContact O-ND2 3.07Å; T157-N160 PolarHBondContact O-N 3.46Å
161	S	88.3	Confident	85.8	Confident	14 Å²	14	54.2 Å²	54.2	10%	0.098	30%	0.295	C	S	.	.			trans	-70.9	146.7	175.5	76.9	0	0	0	0	111.9	L118 V119 T157 L158 A159	L118-S161 WeakPolarHBondContact CD1-OG 3.47Å; V119-S161 CarbonylContact O-C 3.57Å; V119-S161 VanDerWaalsContact O-CA 3.28Å; V119-S161 WeakPolarHBondContact O-CA 3.49Å; V119-S161 VanDerWaalsContact O-CB 3.31Å; V119-S161 WeakPolarHBondContact O-CB 3.22Å; T157-S161 PolarHBondContact O-N 3.03Å; T157-S161 VanDerWaalsContact O-N 3.1Å; L158-S161 WeakPolarHBondContact O-CB 3.3Å; L158-S161 PolarHBondContact O-N 3.28Å; L158-S161 PolarHBondContact O-OG 2.93Å; A159-S161 VanDerWaalsContact C-N 3.34Å
162	K	87.3	Confident	85.9	Confident	153 Å²	153	51.7 Å²	51.7	67%	0.665	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.9	-174.1	-66.4	-177.4	-179.5	178.8	0	111.3	L118 V119 D164	L118-K162 CarbonylContact C-O 3.46Å; L118-K162 WeakPolarHBondContact CA-O 3.32Å; V119-K162 PolarHBondContact N-O 2.77Å; V119-K162 PolarHBondContact O-N 3.01Å; K162-D164 PolarHBondContact O-N 3.04Å
163	P	88.2	Confident	86	Confident	97 Å²	97	55.4 Å²	55.4	63%	0.63	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.3	174.1	29.2	-34.1	0	0	0	110.9	C117 L118 V234	C117-P163 WeakPolarHBondContact O-CA 3.4Å; L118-P163 HydrophobicContact CD2-CB 4.3Å; P163-V234 HydrophobicContact CB-CG1 4.07Å
164	D	90.3	Very high	86.1	Confident	56 Å²	56	55.9 Å²	55.9	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	178	178.8	-158.7	-3	0	0	0	109.8	R116 C117 V119 K162 R221	R116-D164 WeakPolarHBondContact CA-O 3.34Å; C117-D164 PolarHBondContact N-O 2.79Å; C117-D164 PolarHBondContact O-N 2.73Å; C117-D164 VanDerWaalsContact O-N 3.1Å; C117-D164 PolarHBondContact SG-O 3.26Å; V119-D164 HydrophobicContact CG2-CB 3.51Å; K162-D164 PolarHBondContact O-N 3.04Å; D164-R221 IonicContact OD2-NH1 3.88Å; D164-R221 PolarHBondContact OD2-NH1 3Å
165	F	87.6	Confident	86.1	Confident	117 Å²	117	55.9 Å²	55.9	51%	0.513	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.5	178.1	-68.4	-106.9	0	0	0	111.4	M115 R116	M115-F165 CarbonylContact O-C 3.59Å; M115-F165 WeakPolarHBondContact O-CA 3.21Å; R116-F165 HydrophobicContact CG-CD1 3.77Å; R116-F165 HydrophobicContact CG-CE1 3.38Å; R116-F165 HydrophobicContact CG-CE2 4.33Å; R116-F165 HydrophobicContact CG-CG 4.41Å; R116-F165 HydrophobicContact CG-CZ 3.7Å
166	V	87.6	Confident	86.3	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.1	164.9	-163.7	0	0	0	0	108.2	V111 D114 M115 C117 T170 L172 I223 L225	V111-V166 HydrophobicContact CG2-CG1 3.82Å; D114-V166 WeakPolarHBondContact CA-O 3.47Å; M115-V166 PolarHBondContact N-O 3.13Å; M115-V166 PolarHBondContact O-N 3.05Å; C117-V166 HydrophobicContact CB-CG2 3.9Å; V166-T170 HydrophobicContact CG1-CG2 3.57Å; V166-L172 HydrophobicContact CG1-CD1 4.32Å; V166-L172 HydrophobicContact CG1-CD2 4.07Å; V166-L172 HydrophobicContact CG1-CG 4.47Å; V166-I223 HydrophobicContact CG2-CD1 3.54Å; V166-L225 HydrophobicContact CG2-CD2 4.33Å
167	R	82.9	Confident	86.5	Confident	127 Å²	127	51 Å²	51	48%	0.479	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-78.2	153.1	-179.6	-61.5	-173	-170.9	-179.1	6.1	111.8	V111 D114 T170 Y280	V111-R167 WeakPolarHBondContact CB-O 3.21Å; V111-R167 WeakPolarHBondContact CG1-O 3.43Å; D114-R167 WeakPolarHBondContact OD1-CA 3.41Å; R167-T170 WeakPolarHBondContact O-CB 3.43Å; R167-T170 PolarHBondContact O-N 2.94Å; R167-T170 PolarHBondContact O-OG1 3.23Å; R167-Y280 PolarHBondContact NH1-OH 3.02Å; R167-Y280 PolarHBondContact NH2-OH 3.23Å
168	A	80.5	Confident	86.7	Confident	17 Å²	17	50.9 Å²	50.9	14%	0.14	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	140.9	164.8	0	0	0	0	0	111.5	V111 R112 D114 T170 L274 P275	V111-A168 WeakPolarHBondContact O-CA 3.25Å; R112-A168 WeakPolarHBondContact O-CB 3.26Å; D114-A168 PolarHBondContact OD1-N 2.92Å; A168-T170 VanDerWaalsContact C-N 3.32Å; A168-L274 HydrophobicContact CB-CD2 4.46Å; A168-P275 HydrophobicContact CB-CG 3.79Å
169	G	75	Confident	86.6	Confident	23 Å²	23	54.5 Å²	54.5	24%	0.237	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-19.7	-174.4	0	0	0	0	0	114.5	V111 L171	V111-G169 PolarHBondContact O-N 3.4Å; G169-L171 PolarHBondContact O-N 3.47Å
170	T	84	Confident	86.5	Confident	21 Å²	21	59 Å²	59	13%	0.129	30%	0.297	C	S	.	.			trans	-59.7	136.6	173.4	-75.1	0	0	0	0	110.8	V111 V166 R167 A168 L172 E199	V111-T170 PolarHBondContact N-O 2.82Å; V166-T170 HydrophobicContact CG1-CG2 3.57Å; R167-T170 WeakPolarHBondContact O-CB 3.43Å; R167-T170 PolarHBondContact O-N 2.94Å; R167-T170 PolarHBondContact O-OG1 3.23Å; A168-T170 VanDerWaalsContact C-N 3.32Å; T170-L172 HydrophobicContact CG2-CD2 3.64Å; T170-L172 HydrophobicContact CG2-CG 4.15Å; T170-E199 HydrophobicContact CG2-CG 3.79Å; T170-E199 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E199 PolarHBondContact OG1-OE1 3.21Å
171	L	87.1	Confident	86.6	Confident	32 Å²	32	54 Å²	54	17%	0.168	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.1	169.5	-65.1	-174.7	0	0	0	110.3	W81 T108 F109 I110 G169 R200 I244	W81-L171 HydrophobicContact CH2-CD1 4.09Å; W81-L171 HydrophobicContact CH2-CD2 4.1Å; W81-L171 HydrophobicContact CZ2-CD1 3.97Å; W81-L171 HydrophobicContact CZ2-CD2 3.85Å; W81-L171 HydrophobicContact CZ2-CG 4.26Å; T108-L171 HydrophobicContact CG2-CB 4.46Å; F109-L171 WeakPolarHBondContact O-CA 3.4Å; I110-L171 HydrophobicContact CB-CD2 3.83Å; I110-L171 HydrophobicContact CD1-CD2 4.15Å; I110-L171 HydrophobicContact CG1-CD2 4.03Å; G169-L171 PolarHBondContact O-N 3.47Å; L171-R200 HydrophobicContact CB-CB 3.98Å; L171-R200 PolarHBondContact O-N 3.15Å; L171-I244 HydrophobicContact CD2-CD1 3.88Å; L171-I244 HydrophobicContact CD2-CG1 3.84Å
172	L	89	Confident	86.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.8	179.3	-63.4	-176.9	0	0	0	110.3	T108 F109 V111 V166 T170 E199 I223 L225 L241	T108-L172 CarbonylContact C-O 3.56Å; T108-L172 WeakPolarHBondContact CA-O 3.45Å; F109-L172 PolarHBondContact N-O 3.09Å; F109-L172 PolarHBondContact O-N 2.82Å; V111-L172 HydrophobicContact CG2-CD1 3.66Å; V111-L172 HydrophobicContact CG2-CG 3.96Å; V166-L172 HydrophobicContact CG1-CD1 4.32Å; V166-L172 HydrophobicContact CG1-CD2 4.07Å; V166-L172 HydrophobicContact CG1-CG 4.47Å; T170-L172 HydrophobicContact CG2-CD2 3.64Å; T170-L172 HydrophobicContact CG2-CG 4.15Å; L172-E199 HydrophobicContact CD2-CB 4.26Å; L172-I223 HydrophobicContact CD1-CD1 3.97Å; L172-I223 HydrophobicContact CD2-CD1 3.61Å; L172-I223 HydrophobicContact CG-CD1 4.44Å; L172-L225 HydrophobicContact CD1-CD1 3.87Å; L172-L225 HydrophobicContact CD1-CD2 4.34Å; L172-L241 HydrophobicContact CD1-CD2 4.31Å
173	R	88.4	Confident	86.2	Confident	79 Å²	79	48.5 Å²	48.5	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.2	168.2	-174.8	-178.7	-172	162.8	2.8	109.1	S107 S129 I175 A197 V198 R200	S107-R173 CarbonylContact O-C 3.42Å; S107-R173 WeakPolarHBondContact O-CA 3.35Å; S129-R173 PolarHBondContact OG-NH1 2.84Å; S129-R173 PolarHBondContact OG-NH2 3.5Å; R173-I175 HydrophobicContact CG-CD1 4.24Å; R173-A197 CarbonylContact O-C 3.55Å; R173-A197 WeakPolarHBondContact O-CA 3.39Å; R173-A197 WeakPolarHBondContact O-CB 3.44Å; R173-V198 PolarHBondContact N-O 2.84Å; R173-V198 PolarHBondContact O-N 2.97Å; R173-R200 HydrophobicContact CB-CG 4.03Å
174	F	88.4	Confident	85.6	Confident	47 Å²	47	50.5 Å²	50.5	21%	0.206	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.9	172.4	174.3	-87.3	0	0	0	110.7	V101 S107 F109 S176 V195	V101-F174 HydrophobicContact CG1-CD2 3.72Å; V101-F174 HydrophobicContact CG1-CE2 3.92Å; S107-F174 PolarHBondContact O-N 2.82Å; F109-F174 HydrophobicContact CD2-CB 4.2Å; F109-F174 HydrophobicContact CE2-CB 3.75Å; F109-F174 HydrophobicContact CE2-CD2 4.43Å; F109-F174 HydrophobicContact CE2-CG 4.35Å; F174-S176 VanDerWaalsContact CZ-C 3.47Å; F174-V195 HydrophobicContact CD2-CG1 3.64Å; F174-V195 HydrophobicContact CE2-CG1 3.81Å; F174-V195 HydrophobicContact CE2-CG2 4.24Å
175	I	87.5	Confident	84.8	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.108	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-57.8	-179.6	-55.2	-62.7	0	0	0	110.2	I126 I144 R173 L196 V198	I126-I175 HydrophobicContact CD1-CB 4.37Å; I126-I175 HydrophobicContact CD1-CG1 3.94Å; I126-I175 HydrophobicContact CD1-CG2 4.01Å; I126-I175 HydrophobicContact CG2-CD1 4.09Å; I144-I175 HydrophobicContact CD1-CG2 3.48Å; I144-I175 VanDerWaalsContact CD1-CG2 3.48Å; I144-I175 WeakPolarHBondContact CD1-O 3.46Å; I144-I175 HydrophobicContact CG1-CG2 3.67Å; R173-I175 HydrophobicContact CG-CD1 4.24Å; I175-L196 HydrophobicContact CB-CB 4.41Å; I175-L196 HydrophobicContact CB-CG 4.32Å; I175-L196 WeakPolarHBondContact CB-O 3.48Å; I175-L196 HydrophobicContact CG2-CD2 4.12Å; I175-L196 HydrophobicContact CG2-CG 4.44Å; I175-L196 PolarHBondContact N-O 3.04Å; I175-V198 HydrophobicContact CD1-CB 4.45Å; I175-V198 HydrophobicContact CD1-CG2 4Å; I175-V198 HydrophobicContact CG1-CG2 3.9Å
176	S	88.7	Confident	84.1	Confident	22 Å²	22	48.1 Å²	48.1	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.5	-177.7	-168.6	0	0	0	0	112.2	F174 L196	F174-S176 VanDerWaalsContact CZ-C 3.47Å; S176-L196 PolarHBondContact N-O 3.49Å; S176-L196 PolarHBondContact O-N 3.23Å
177	Y	90.4	Very high	83.4	Confident	62 Å²	62	58.2 Å²	58.2	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.2	167.4	176.3	-106.6	0	0	0	109.4	L98 R102 P179 L194 V195	L98-Y177 HydrophobicContact CB-CE2 4.12Å; R102-Y177 HydrophobicContact CB-CG 4.3Å; R102-Y177 HydrophobicContact CG-CD1 4.03Å; R102-Y177 HydrophobicContact CG-CG 4Å; Y177-P179 HydrophobicContact CD1-CB 4.36Å; Y177-P179 HydrophobicContact CE1-CB 3.77Å; Y177-L194 WeakPolarHBondContact CD2-O 3.47Å; Y177-V195 HydrophobicContact CD2-CG2 3.89Å
178	L	90.3	Very high	83.3	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	100.8	-176.3	-47.7	-178	0	0	0	107.8	I149 A152 Q180 C181 G193 L194 L196 Y224	I149-L178 HydrophobicContact CG2-CD2 3.85Å; A152-L178 HydrophobicContact CB-CD1 3.98Å; L178-Q180 PolarHBondContact O-N 3.01Å; L178-C181 WeakPolarHBondContact CB-SG 3.43Å; L178-G193 CarbonylContact O-C 3.6Å; L178-G193 WeakPolarHBondContact O-CA 3.41Å; L178-L194 HydrophobicContact CB-CB 4.46Å; L178-L194 PolarHBondContact N-O 3.01Å; L178-L194 PolarHBondContact O-N 3.48Å; L178-L196 HydrophobicContact CD1-CB 4.21Å; L178-L196 HydrophobicContact CG-CB 4.37Å; L178-Y224 HydrophobicContact CD1-CD1 4.09Å; L178-Y224 HydrophobicContact CD1-CE1 3.77Å
179	P	84.7	Confident	83.3	Confident	81 Å²	81	63.6 Å²	63.6	53%	0.526	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-26	-164.9	27.6	-35.8	0	0	0	114.7	Y177	Y177-P179 HydrophobicContact CD1-CB 4.36Å; Y177-P179 HydrophobicContact CE1-CB 3.77Å
180	Q	84.4	Confident	83.7	Confident	154 Å²	154	65.7 Å²	65.7	72%	0.72	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	80.7	-171.4	-70.7	175.5	-19.7	0	0	109.3	L178	L178-Q180 PolarHBondContact O-N 3.01Å
181	C	87.4	Confident	83.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.8	173.5	-68.6	0	0	0	0	109.8	L158 L178 V183 D191 L192 L194	L158-C181 HydrophobicContact CD1-CB 3.72Å; L178-C181 WeakPolarHBondContact CB-SG 3.43Å; C181-V183 HydrophobicContact CB-CG2 4.28Å; C181-V183 WeakPolarHBondContact O-CG2 3.29Å; C181-V183 PolarHBondContact O-N 2.83Å; C181-V183 VanDerWaalsContact O-N 3.13Å; C181-D191 WeakPolarHBondContact O-CA 3.49Å; C181-L192 WeakPolarHBondContact CB-O 3.05Å; C181-L192 PolarHBondContact N-O 2.93Å; C181-L192 PolarHBondContact O-N 3.44Å; C181-L194 HydrophobicContact CB-CD1 3.56Å; C181-L194 HydrophobicContact CB-CG 3.94Å
182	S	84.7	Confident	83.9	Confident	48 Å²	48	69 Å²	69	34%	0.336	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	92.2	178.8	-56.5	0	0	0	0	111	D191	S182-D191 VanDerWaalsContact CA-OD1 3.26Å; S182-D191 WeakPolarHBondContact CA-OD1 3.4Å; S182-D191 VanDerWaalsContact CB-OD1 3.24Å; S182-D191 WeakPolarHBondContact CB-OD1 3.32Å; S182-D191 PolarHBondContact OG-OD1 3.48Å
183	V	83	Confident	83.9	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.7	-175.2	-160.7	0	0	0	0	111.1	L118 L158 C181 K190 L192 L194	L118-V183 HydrophobicContact CD1-CG1 4.45Å; L158-V183 HydrophobicContact CD1-CG2 4.49Å; C181-V183 HydrophobicContact CB-CG2 4.28Å; C181-V183 WeakPolarHBondContact O-CG2 3.29Å; C181-V183 PolarHBondContact O-N 2.83Å; C181-V183 VanDerWaalsContact O-N 3.13Å; V183-K190 PolarHBondContact N-O 3.03Å; V183-K190 PolarHBondContact O-N 2.82Å; V183-L192 HydrophobicContact CG2-CB 4.47Å; V183-L192 HydrophobicContact CG2-CD1 4.18Å; V183-L194 HydrophobicContact CG2-CD1 4.31Å
184	K	76.7	Confident	84.1	Confident	140 Å²	140	66 Å²	66	61%	0.609	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.6	176.5	-162.2	171.6	-176.5	175.7	0	111
185	R	73.6	Confident	84.3	Confident	58 Å²	58	63.8 Å²	63.8	22%	0.219	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	82.4	-179.3	-68.8	-68	-172.6	-107	2.1	108.8	K187 K188 E228	R185-K187 PolarHBondContact O-N 3.18Å; R185-K187 VanDerWaalsContact O-N 3.15Å; R185-K188 CarbonylContact C-O 3.55Å; R185-K188 WeakPolarHBondContact CA-O 3.42Å; R185-K188 PolarHBondContact N-O 3.18Å; R185-K188 PolarHBondContact O-N 3.33Å; R185-K188 VanDerWaalsContact O-N 3.13Å; R185-E228 IonicContact CZ-OE2 3.4Å; R185-E228 IonicContact NE-OE1 3.6Å; R185-E228 IonicContact NE-OE2 3.09Å; R185-E228 PolarHBondContact NE-OE2 2.91Å; R185-E228 VanDerWaalsContact NE-OE2 3.09Å; R185-E228 IonicContact NH2-OE2 2.84Å; R185-E228 PolarHBondContact NH2-OE2 3.26Å
186	G	72.4	Confident	84.5	Confident	65 Å²	65	63 Å²	63	67%	0.67	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-112.7	-174.4	0	0	0	0	0	111.7
187	K	73.1	Confident	84.6	Confident	220 Å²	220	62 Å²	62	96%	0.957	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-8	178.3	-67.1	-170.6	178.1	-175.5	0	114.7	R185	R185-K187 PolarHBondContact O-N 3.18Å; R185-K187 VanDerWaalsContact O-N 3.15Å
188	K	79.3	Confident	84.5	Confident	163 Å²	163	59.8 Å²	59.8	71%	0.709	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	-179.8	-64.3	-172.8	178.3	-174.6	0	110.7	R185	R185-K188 CarbonylContact C-O 3.55Å; R185-K188 WeakPolarHBondContact CA-O 3.42Å; R185-K188 PolarHBondContact N-O 3.18Å; R185-K188 PolarHBondContact O-N 3.33Å; R185-K188 VanDerWaalsContact O-N 3.13Å
189	T	81.2	Confident	84.3	Confident	94 Å²	94	62.5 Å²	62.5	58%	0.577	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	145.4	163.6	-54.7	0	0	0	0	108.1
190	K	83.5	Confident	83.8	Confident	66 Å²	66	62.4 Å²	62.4	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	126.2	-179.2	-178.7	-174.2	173.8	-164.5	0	109.4	V183 L192 E228 S230	V183-K190 PolarHBondContact N-O 3.03Å; V183-K190 PolarHBondContact O-N 2.82Å; K190-L192 HydrophobicContact CD-CD2 4.24Å; K190-L192 HydrophobicContact CD-CG 4.44Å; K190-L192 HydrophobicContact CG-CD2 4.47Å; K190-L192 HydrophobicContact CG-CG 4.39Å; K190-E228 IonicContact NZ-OE1 3.51Å; K190-E228 PolarHBondContact NZ-OE1 2.82Å; K190-S230 PolarHBondContact NZ-OG 2.79Å
191	D	86.8	Confident	82.6	Confident	104 Å²	104	58.9 Å²	58.9	56%	0.556	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.4	176.4	-54.5	-52	0	0	0	110.3	C181 S182	C181-D191 WeakPolarHBondContact O-CA 3.49Å; S182-D191 VanDerWaalsContact CA-OD1 3.26Å; S182-D191 WeakPolarHBondContact CA-OD1 3.4Å; S182-D191 VanDerWaalsContact CB-OD1 3.24Å; S182-D191 WeakPolarHBondContact CB-OD1 3.32Å; S182-D191 PolarHBondContact OG-OD1 3.48Å
192	L	88.5	Confident	80.6	Confident	19 Å²	19	63.1 Å²	63.1	10%	0.099	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.6	-177.1	-71.1	173.8	0	0	0	110.2	C181 V183 K190 L194 F235	C181-L192 WeakPolarHBondContact CB-O 3.05Å; C181-L192 PolarHBondContact N-O 2.93Å; C181-L192 PolarHBondContact O-N 3.44Å; V183-L192 HydrophobicContact CG2-CB 4.47Å; V183-L192 HydrophobicContact CG2-CD1 4.18Å; K190-L192 HydrophobicContact CD-CD2 4.24Å; K190-L192 HydrophobicContact CD-CG 4.44Å; K190-L192 HydrophobicContact CG-CD2 4.47Å; K190-L192 HydrophobicContact CG-CG 4.39Å; L192-L194 HydrophobicContact CB-CD2 4.38Å; L192-F235 HydrophobicContact CD1-CD2 4.23Å; L192-F235 HydrophobicContact CD1-CE2 4.1Å
193	G	89.6	Confident	78	Confident	17 Å²	17	66.2 Å²	66.2	18%	0.175	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.9	160.1	0	0	0	0	0	109.6	L98 L178	L98-G193 WeakPolarHBondContact CD1-O 3.44Å; L178-G193 CarbonylContact O-C 3.6Å; L178-G193 WeakPolarHBondContact O-CA 3.41Å
194	L	92.5	Very high	75.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.6	176	-60.3	179.2	0	0	0	110.4	L158 Y177 L178 C181 V183 L192 Y224 L225 F235	L158-L194 HydrophobicContact CD2-CD1 3.78Å; Y177-L194 WeakPolarHBondContact CD2-O 3.47Å; L178-L194 HydrophobicContact CB-CB 4.46Å; L178-L194 PolarHBondContact N-O 3.01Å; L178-L194 PolarHBondContact O-N 3.48Å; C181-L194 HydrophobicContact CB-CD1 3.56Å; C181-L194 HydrophobicContact CB-CG 3.94Å; V183-L194 HydrophobicContact CG2-CD1 4.31Å; L192-L194 HydrophobicContact CB-CD2 4.38Å; L194-Y224 HydrophobicContact CB-CD1 4.25Å; L194-Y224 HydrophobicContact CD1-CD1 3.71Å; L194-Y224 HydrophobicContact CD1-CE1 4.39Å; L194-Y224 HydrophobicContact CD1-CG 4.18Å; L194-L225 CarbonylContact C-O 3.46Å; L194-L225 WeakPolarHBondContact CA-O 3.28Å; L194-F235 HydrophobicContact CD2-CD2 4.41Å; L194-F235 HydrophobicContact CD2-CE1 4.38Å; L194-F235 HydrophobicContact CD2-CE2 3.51Å; L194-F235 HydrophobicContact CD2-CZ 3.49Å; L194-F235 VanDerWaalsContact CD2-CZ 3.49Å
195	V	92.1	Very high	73.1	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.8	165.5	164	0	0	0	0	108	L98 V101 F174 Y177 Y224 L225	L98-V195 HydrophobicContact CD2-CB 4.15Å; L98-V195 HydrophobicContact CD2-CG2 3.7Å; V101-V195 HydrophobicContact CB-CG2 4.14Å; V101-V195 HydrophobicContact CG1-CG1 4.24Å; V101-V195 HydrophobicContact CG1-CG2 4Å; V101-V195 HydrophobicContact CG2-CG2 4.47Å; F174-V195 HydrophobicContact CD2-CG1 3.64Å; F174-V195 HydrophobicContact CE2-CG1 3.81Å; F174-V195 HydrophobicContact CE2-CG2 4.24Å; Y177-V195 HydrophobicContact CD2-CG2 3.89Å; V195-Y224 WeakPolarHBondContact O-CA 3.24Å; V195-L225 HydrophobicContact CB-CB 4.28Å; V195-L225 PolarHBondContact N-O 3.37Å; V195-L225 PolarHBondContact O-N 2.77Å
196	L	91.3	Very high	70.9	Confident	3 Å²	3	72 Å²	72	2%	0.016	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.1	169.8	-167.7	64.4	0	0	0	108.4	L124 I126 A152 I175 S176 L178 T222 Y224	L124-L196 HydrophobicContact CD2-CD1 4.17Å; I126-L196 HydrophobicContact CD1-CD1 4.42Å; I126-L196 HydrophobicContact CD1-CD2 3.93Å; I126-L196 HydrophobicContact CD1-CG 3.98Å; A152-L196 HydrophobicContact CB-CD2 3.87Å; I175-L196 HydrophobicContact CB-CB 4.41Å; I175-L196 HydrophobicContact CB-CG 4.32Å; I175-L196 WeakPolarHBondContact CB-O 3.48Å; I175-L196 HydrophobicContact CG2-CD2 4.12Å; I175-L196 HydrophobicContact CG2-CG 4.44Å; I175-L196 PolarHBondContact N-O 3.04Å; S176-L196 PolarHBondContact N-O 3.49Å; S176-L196 PolarHBondContact O-N 3.23Å; L178-L196 HydrophobicContact CD1-CB 4.21Å; L178-L196 HydrophobicContact CG-CB 4.37Å; L196-T222 HydrophobicContact CD1-CG2 3.64Å; L196-T222 HydrophobicContact CG-CG2 4.41Å; L196-Y224 HydrophobicContact CD1-CD1 4.02Å; L196-Y224 HydrophobicContact CD1-CE1 3.92Å; L196-Y224 HydrophobicContact CD1-CG 4.47Å
197	A	91.1	Very high	68.7	Low	2 Å²	2	70.1 Å²	70.1	2%	0.017	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163	179.9	0	0	0	0	0	110.8	R173 I223	R173-A197 CarbonylContact O-C 3.55Å; R173-A197 WeakPolarHBondContact O-CA 3.39Å; R173-A197 WeakPolarHBondContact O-CB 3.44Å; A197-I223 HydrophobicContact CB-CD1 4.5Å; A197-I223 HydrophobicContact CB-CG1 4.05Å; A197-I223 PolarHBondContact N-O 2.94Å; A197-I223 PolarHBondContact O-N 3.42Å
198	V	89.6	Confident	66.5	Low	16 Å²	16	63 Å²	63	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.9	172.9	171.1	0	0	0	0	108.6	I126 R173 I175 R200 R221	I126-V198 HydrophobicContact CB-CG2 4.02Å; I126-V198 HydrophobicContact CD1-CG2 3.7Å; I126-V198 HydrophobicContact CG1-CG2 4.43Å; I126-V198 HydrophobicContact CG2-CG2 4.11Å; R173-V198 PolarHBondContact N-O 2.84Å; R173-V198 PolarHBondContact O-N 2.97Å; I175-V198 HydrophobicContact CD1-CB 4.45Å; I175-V198 HydrophobicContact CD1-CG2 4Å; I175-V198 HydrophobicContact CG1-CG2 3.9Å; V198-R200 PolarHBondContact O-N 3.4Å; V198-R221 WeakPolarHBondContact CA-O 3.3Å
199	E	85.9	Confident	64	Low	58 Å²	58	58.5 Å²	58.5	27%	0.271	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	117	169.4	178.7	159.7	-137.1	0	0	109.8	T170 L172 S201 S220 R221	T170-E199 HydrophobicContact CG2-CG 3.79Å; T170-E199 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E199 PolarHBondContact OG1-OE1 3.21Å; L172-E199 HydrophobicContact CD2-CB 4.26Å; E199-S201 PolarHBondContact O-N 3.03Å; E199-S220 WeakPolarHBondContact O-CB 3.32Å; E199-R221 HydrophobicContact CB-CB 4.47Å; E199-R221 PolarHBondContact N-O 3.13Å
200	R	73.9	Confident	61.5	Low	79 Å²	79	61.8 Å²	61.8	30%	0.298	34%	0.343	S	S	.	.			trans	-69.6	105.1	168.6	-75	-159.4	64.8	154	2.5	106.9	E134 L171 R173 V198 S202	E134-R200 VanDerWaalsContact CD-NH2 3.26Å; E134-R200 IonicContact OE1-CZ 2.71Å; E134-R200 IonicContact OE1-NH1 2.92Å; E134-R200 PolarHBondContact OE1-NH1 3.17Å; E134-R200 IonicContact OE1-NH2 3.09Å; E134-R200 PolarHBondContact OE1-NH2 2.7Å; E134-R200 IonicContact OE2-NH2 2.77Å; E134-R200 PolarHBondContact OE2-NH2 2.95Å; E134-R200 VanDerWaalsContact OE2-NH2 3.13Å; L171-R200 HydrophobicContact CB-CB 3.98Å; L171-R200 PolarHBondContact O-N 3.15Å; R173-R200 HydrophobicContact CB-CG 4.03Å; V198-R200 PolarHBondContact O-N 3.4Å; R200-S202 PolarHBondContact O-N 3.1Å
201	S	57.9	Low	58.9	Low	80 Å²	80	63.6 Å²	63.6	56%	0.559	36%	0.364	S	S	*	.			trans	-53.8	111.9	171	49	0	0	0	0	109.5	E199 C203	E199-S201 PolarHBondContact O-N 3.03Å; S201-C203 PolarHBondContact O-N 3.23Å
202	S	45.7	Very low	56.3	Low	89 Å²	89	66.5 Å²	66.5	62%	0.622	38%	0.38	S	S	*	.			trans	-55.5	111.5	167.8	-69.7	0	0	0	0	108	R200 S204	R200-S202 PolarHBondContact O-N 3.1Å; S202-S204 PolarHBondContact O-N 2.69Å; S202-S204 PolarHBondContact O-OG 3.3Å
203	C	30.8	Very low	53.7	Low	113 Å²	113	71.7 Å²	71.7	76%	0.764	41%	0.412	S	S	*	.			trans	-78.8	55.2	178.8	-160.6	0	0	0	0	110.8	S201	S201-C203 PolarHBondContact O-N 3.23Å
204	S	30.5	Very low	50.9	Low	56 Å²	56	78 Å²	78	39%	0.392	44%	0.44	S	S	.	.			trans	-59.5	130.1	141.9	37.5	0	0	0	0	106	S202 Q206 E507	S202-S204 PolarHBondContact O-N 2.69Å; S202-S204 PolarHBondContact O-OG 3.3Å; S204-Q206 PolarHBondContact O-N 3.28Å; S204-E507 PolarHBondContact OG-OE1 2.77Å
205	K	26.8	Very low	48.1	Very low	157 Å²	157	81.8 Å²	81.8	68%	0.683	47%	0.465	S	S	*	.			trans	-77.2	76	-175.5	-69.2	-177	178.4	179.5	0	110.2
206	Q	27.2	Very low	45.4	Very low	109 Å²	109	86.9 Å²	86.9	51%	0.509	50%	0.496	S	S	.	.			trans	-64.1	142.7	152.2	-75.4	-154.5	4.3	0	0	109.1	S204 N502 T505 E507	S204-Q206 PolarHBondContact O-N 3.28Å; Q206-N502 PolarHBondContact O-OD1 3.39Å; Q206-T505 HydrophobicContact CB-CG2 4.32Å; Q206-T505 HydrophobicContact CG-CG2 3.34Å; Q206-E507 PolarHBondContact NE2-OE2 2.88Å
207	S	26.2	Very low	42.8	Very low	25 Å²	25	94.4 Å²	94.4	18%	0.175	52%	0.524	C	S	.	.			cis	128.9	148.3	-3	66.6	0	0	0	0	113	N502 M503 T505	S207-N502 VanDerWaalsContact C-CB 3.48Å; S207-N502 VanDerWaalsContact C-CG 3.43Å; S207-N502 VanDerWaalsContact C-ND2 3.31Å; S207-N502 PolarHBondContact N-OD1 3.12Å; S207-N502 PolarHBondContact O-ND2 3.28Å; S207-M503 CarbonylContact C-O 3.55Å; S207-M503 WeakPolarHBondContact CA-O 3.4Å; S207-M503 WeakPolarHBondContact CB-O 3.43Å; S207-T505 PolarHBondContact OG-OG1 2.96Å; S207-T505 VanDerWaalsContact OG-OG1 3.13Å
208	S	27.1	Very low	40.6	Very low	71 Å²	71	99.7 Å²	99.7	50%	0.497	56%	0.559	S	S	.	*			trans	124.6	65.3	-167	76.6	0	0	0	0	111	H210 N502 M503	S208-H210 PolarHBondContact O-N 3.37Å; S208-N502 PolarHBondContact OG-ND2 2.7Å; S208-M503 PolarHBondContact N-O 3.31Å
209	T	27	Very low	38.8	Very low	69 Å²	69	104.2 Å²	104.2	42%	0.423	58%	0.581	S	S	.	*			trans	-55.3	123.9	163	39.9	0	0	0	0	109.6	M503 V504	T209-M503 PolarHBondContact N-O 3.28Å; T209-M503 VanDerWaalsContact N-O 3.12Å; T209-V504 HydrophobicContact CG2-CG2 4.28Å
210	H	28.3	Very low	37.8	Very low	163 Å²	163	103.5 Å²	103.5	76%	0.755	58%	0.583	S	S	*	*	S	Bend	trans	50.8	100.3	172	-92.6	-83	0	0	0	118.4	S208	S208-H210 PolarHBondContact O-N 3.37Å
211	S	28.5	Very low	37.9	Very low	104 Å²	104	106 Å²	106	73%	0.727	59%	0.592	S	S	*	*			trans	-168.1	134.1	138.6	-80.3	0	0	0	0	109.1	V213	S211-V213 PolarHBondContact O-N 3.07Å
212	D	32.7	Very low	39.3	Very low	165 Å²	165	102.7 Å²	102.7	88%	0.882	57%	0.569	S	S	*	*	S	Bend	trans	-80.4	49.5	-170	-65.2	-69.4	0	0	0	114.7
213	V	33.9	Very low	41.5	Very low	128 Å²	128	98.7 Å²	98.7	78%	0.776	54%	0.541	S	S	*	.	S	Bend	trans	-115.8	124.2	162.9	-177.3	0	0	0	0	107.4	S211	S211-V213 PolarHBondContact O-N 3.07Å
214	L	30.1	Very low	44.4	Very low	148 Å²	148	93.3 Å²	93.3	78%	0.775	50%	0.504	S	S	*	.			trans	-38.1	126.8	-172.2	-66.8	166.8	0	0	0	112.6	V216	L214-V216 VanDerWaalsContact C-N 3.25Å; L214-V216 PolarHBondContact O-N 2.97Å
215	P	32.8	Very low	47.3	Very low	80 Å²	80	90.8 Å²	90.8	52%	0.519	49%	0.486	S	S	.	.			trans	-72.4	82.2	-178	29.7	-35.1	0	0	0	110.4	R217 P501	P215-R217 VanDerWaalsContact C-N 3.32Å; P215-R217 PolarHBondContact O-N 2.79Å; P215-P501 HydrophobicContact CG-CG 4.4Å
216	V	36.5	Very low	50.4	Low	109 Å²	109	83.3 Å²	83.3	66%	0.661	45%	0.454	S	S	*	.			trans	-64.8	94.8	170.4	-179.2	0	0	0	0	107.2	L214 L219	L214-V216 VanDerWaalsContact C-N 3.25Å; L214-V216 PolarHBondContact O-N 2.97Å; V216-L219 HydrophobicContact CG1-CD1 3.78Å
217	R	35.7	Very low	53.3	Low	162 Å²	162	79.7 Å²	79.7	61%	0.611	44%	0.438	S	S	*	.			trans	-43.3	126.4	162.4	-73.1	-178	175.1	-178.1	-0.9	106.9	P215 L219	P215-R217 VanDerWaalsContact C-N 3.32Å; P215-R217 PolarHBondContact O-N 2.79Å; R217-L219 PolarHBondContact O-N 2.82Å
218	P	45.4	Very low	56.1	Low	113 Å²	113	78.8 Å²	78.8	73%	0.734	43%	0.43	S	S	*	.			trans	-58.5	108.7	178.8	23.4	-32.7	0	0	0	107.7	S220	P218-S220 PolarHBondContact O-N 3.28Å; P218-S220 VanDerWaalsContact O-N 3.17Å
219	L	51.9	Low	58.7	Low	110 Å²	110	81.6 Å²	81.6	58%	0.576	44%	0.44	S	S	*	.			trans	-57.8	126.5	-168	-74.2	93.4	0	0	0	108.8	V125 V216 R217 R221	V125-L219 HydrophobicContact CG1-CD2 3.81Å; V125-L219 HydrophobicContact CG2-CD2 4.17Å; V216-L219 HydrophobicContact CG1-CD1 3.78Å; R217-L219 PolarHBondContact O-N 2.82Å; L219-R221 PolarHBondContact O-N 2.99Å
220	S	64.3	Low	61	Low	43 Å²	43	80.7 Å²	80.7	30%	0.301	44%	0.436	S	S	.	.			trans	-49.2	111	-173.3	-51.1	0	0	0	0	109.6	E199 P218 T222	E199-S220 WeakPolarHBondContact O-CB 3.32Å; P218-S220 PolarHBondContact O-N 3.28Å; P218-S220 VanDerWaalsContact O-N 3.17Å; S220-T222 PolarHBondContact O-N 3.28Å
221	R	76.8	Confident	63	Low	131 Å²	131	79.5 Å²	79.5	49%	0.494	44%	0.441	S	S	.	.			trans	-61.9	116.9	-162.6	-68.4	-175.6	-177.8	-166.4	5.3	109.6	D164 V198 E199 L219 I223	D164-R221 IonicContact OD2-NH1 3.88Å; D164-R221 PolarHBondContact OD2-NH1 3Å; V198-R221 WeakPolarHBondContact CA-O 3.3Å; E199-R221 HydrophobicContact CB-CB 4.47Å; E199-R221 PolarHBondContact N-O 3.13Å; L219-R221 PolarHBondContact O-N 2.99Å; R221-I223 HydrophobicContact CB-CG2 4.29Å; R221-I223 PolarHBondContact O-N 2.89Å
222	T	87.2	Confident	65	Low	12 Å²	12	80.3 Å²	80.3	7%	0.074	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.6	169.8	-65.7	0	0	0	0	107.8	A120 L124 I126 L196 S220	A120-T222 HydrophobicContact CB-CG2 3.76Å; A120-T222 WeakPolarHBondContact CB-O 3.21Å; A120-T222 PolarHBondContact N-O 2.77Å; L124-T222 HydrophobicContact CD2-CG2 3.93Å; L124-T222 HydrophobicContact CG-CG2 4.33Å; I126-T222 HydrophobicContact CD1-CG2 3.4Å; I126-T222 VanDerWaalsContact CD1-CG2 3.4Å; I126-T222 WeakPolarHBondContact CD1-OG1 3.38Å; I126-T222 HydrophobicContact CG1-CG2 4Å; L196-T222 HydrophobicContact CD1-CG2 3.64Å; L196-T222 HydrophobicContact CG-CG2 4.41Å; S220-T222 PolarHBondContact O-N 3.28Å
223	I	91.1	Very high	67.1	Low	5 Å²	5	73.8 Å²	73.8	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.2	-174.9	61	168.1	0	0	0	110.9	C117 L118 V119 V166 L172 A197 R221 L225	C117-I223 HydrophobicContact CB-CB 4.47Å; L118-I223 CarbonylContact O-C 3.58Å; L118-I223 WeakPolarHBondContact O-CA 3.19Å; V119-I223 HydrophobicContact CG2-CG2 4.08Å; V166-I223 HydrophobicContact CG2-CD1 3.54Å; L172-I223 HydrophobicContact CD1-CD1 3.97Å; L172-I223 HydrophobicContact CD2-CD1 3.61Å; L172-I223 HydrophobicContact CG-CD1 4.44Å; A197-I223 HydrophobicContact CB-CD1 4.5Å; A197-I223 HydrophobicContact CB-CG1 4.05Å; A197-I223 PolarHBondContact N-O 2.94Å; A197-I223 PolarHBondContact O-N 3.42Å; R221-I223 HydrophobicContact CB-CG2 4.29Å; R221-I223 PolarHBondContact O-N 2.89Å; I223-L225 HydrophobicContact CD1-CD2 3.96Å; I223-L225 HydrophobicContact CD1-CG 4.45Å
224	Y	92.3	Very high	69.4	Low	0 Å²	0	69.2 Å²	69.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.4	164.5	-54.9	-97.5	0	0	0	108.8	C117 L118 A120 A152 L158 L178 L194 V195 L196 F235	C117-Y224 WeakPolarHBondContact CA-O 3.48Å; C117-Y224 WeakPolarHBondContact CB-O 3.44Å; L118-Y224 HydrophobicContact CB-CD2 4.18Å; L118-Y224 PolarHBondContact N-O 3.15Å; L118-Y224 PolarHBondContact O-N 2.74Å; A120-Y224 HydrophobicContact CB-CD2 4.32Å; A120-Y224 HydrophobicContact CB-CE2 3.68Å; A152-Y224 WeakPolarHBondContact CA-OH 3.42Å; A152-Y224 HydrophobicContact CB-CE1 4.37Å; A152-Y224 VanDerWaalsContact O-CE1 3.31Å; A152-Y224 WeakPolarHBondContact O-CE1 3.43Å; A152-Y224 PolarHBondContact O-OH 3.18Å; L158-Y224 HydrophobicContact CD2-CD1 4.07Å; L158-Y224 HydrophobicContact CD2-CE1 3.62Å; L158-Y224 HydrophobicContact CD2-CE2 4.13Å; L158-Y224 HydrophobicContact CD2-CG 4.47Å; L178-Y224 HydrophobicContact CD1-CD1 4.09Å; L178-Y224 HydrophobicContact CD1-CE1 3.77Å; L194-Y224 HydrophobicContact CB-CD1 4.25Å; L194-Y224 HydrophobicContact CD1-CD1 3.71Å; L194-Y224 HydrophobicContact CD1-CE1 4.39Å; L194-Y224 HydrophobicContact CD1-CG 4.18Å; V195-Y224 WeakPolarHBondContact O-CA 3.24Å; L196-Y224 HydrophobicContact CD1-CD1 4.02Å; L196-Y224 HydrophobicContact CD1-CE1 3.92Å; L196-Y224 HydrophobicContact CD1-CG 4.47Å; Y224-F235 WeakPolarHBondContact O-CE1 3.32Å
225	L	92.5	Very high	72.2	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.9	161.9	-56.5	179.9	0	0	0	108.7	C117 V166 L172 L194 V195 I223 L239 L241	C117-L225 HydrophobicContact CB-CD2 4.12Å; V166-L225 HydrophobicContact CG2-CD2 4.33Å; L172-L225 HydrophobicContact CD1-CD1 3.87Å; L172-L225 HydrophobicContact CD1-CD2 4.34Å; L194-L225 CarbonylContact C-O 3.46Å; L194-L225 WeakPolarHBondContact CA-O 3.28Å; V195-L225 HydrophobicContact CB-CB 4.28Å; V195-L225 PolarHBondContact N-O 3.37Å; V195-L225 PolarHBondContact O-N 2.77Å; I223-L225 HydrophobicContact CD1-CD2 3.96Å; I223-L225 HydrophobicContact CD1-CG 4.45Å; L225-L239 HydrophobicContact CB-CD2 4.27Å; L225-L241 HydrophobicContact CD1-CD1 4.05Å
226	G	90.4	Very high	74.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.331	C	S	.	.			trans	-145.1	180	177.5	0	0	0	0	0	110.8
227	I	89.2	Confident	77.1	Confident	33 Å²	33	58.2 Å²	58.2	17%	0.169	32%	0.324	C	S	.	.			trans	-131.9	137	169.9	-68.8	175.8	0	0	0	108.2	T96 L98 P236 P237 L239	T96-I227 WeakPolarHBondContact O-CD1 3.35Å; L98-I227 HydrophobicContact CD1-CB 4.13Å; L98-I227 HydrophobicContact CD1-CD1 4.36Å; L98-I227 HydrophobicContact CD1-CG1 4.13Å; L98-I227 HydrophobicContact CG-CD1 4.01Å; L98-I227 HydrophobicContact CG-CG1 4.06Å; I227-P236 VanDerWaalsContact CA-O 3.3Å; I227-P236 WeakPolarHBondContact CA-O 3.49Å; I227-P237 VanDerWaalsContact CG2-O 3.3Å; I227-P237 WeakPolarHBondContact CG2-O 3.31Å; I227-L239 HydrophobicContact CD1-CD1 4.42Å; I227-L239 HydrophobicContact CD1-CG 4.05Å; I227-L239 HydrophobicContact CG1-CD2 4.49Å; I227-L239 HydrophobicContact CG1-CG 4.04Å
228	E	84.2	Confident	79.5	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.023	33%	0.326	C	S	.	.			trans	-150.6	107.7	-177.3	-176	148.9	-121.6	0	0	112.7	R185 K190 S230 A233 V234 F235 P236	R185-E228 IonicContact CZ-OE2 3.4Å; R185-E228 IonicContact NE-OE1 3.6Å; R185-E228 IonicContact NE-OE2 3.09Å; R185-E228 PolarHBondContact NE-OE2 2.91Å; R185-E228 VanDerWaalsContact NE-OE2 3.09Å; R185-E228 IonicContact NH2-OE2 2.84Å; R185-E228 PolarHBondContact NH2-OE2 3.26Å; K190-E228 IonicContact NZ-OE1 3.51Å; K190-E228 PolarHBondContact NZ-OE1 2.82Å; E228-S230 WeakPolarHBondContact CG-OG 3.35Å; E228-S230 PolarHBondContact OE1-OG 3.49Å; E228-A233 HydrophobicContact CB-CB 4.17Å; E228-A233 HydrophobicContact CG-CB 3.87Å; E228-A233 WeakPolarHBondContact O-CB 3.5Å; E228-V234 PolarHBondContact OE2-N 2.83Å; E228-F235 HydrophobicContact CB-CB 3.84Å; E228-F235 HydrophobicContact CB-CD2 4.34Å; E228-P236 PolarHBondContact N-O 3.27Å
229	D	81.2	Confident	81.6	Confident	130 Å²	130	52.3 Å²	52.3	70%	0.695	29%	0.292	S	S	*	.			trans	-84.3	-9.6	176.9	-57.7	-63.5	0	0	0	114.1	P237	D229-P237 VanDerWaalsContact OD1-CB 3.29Å; D229-P237 WeakPolarHBondContact OD1-CB 3.47Å
230	S	76.2	Confident	83.4	Confident	50 Å²	50	47.4 Å²	47.4	35%	0.35	27%	0.266	S	S	.	.	S	Bend	trans	-92.2	129.3	-173.7	58.9	0	0	0	0	112.7	K190 E228 P232 A233	K190-S230 PolarHBondContact NZ-OG 2.79Å; E228-S230 WeakPolarHBondContact CG-OG 3.35Å; E228-S230 PolarHBondContact OE1-OG 3.49Å; S230-P232 CarbonylContact O-C 3.56Å; S230-P232 VanDerWaalsContact O-C 3.29Å; S230-A233 VanDerWaalsContact O-CA 3.32Å; S230-A233 WeakPolarHBondContact O-CA 3.1Å; S230-A233 WeakPolarHBondContact O-CB 3.39Å; S230-A233 PolarHBondContact O-N 3.44Å; S230-A233 VanDerWaalsContact O-N 3.14Å
231	T	70.2	Confident	84.5	Confident	139 Å²	139	45.4 Å²	45.4	85%	0.853	25%	0.253	S	S	*	.	S	Bend	trans	-80.5	140.6	177	47.6	0	0	0	0	112.9
232	P	71.4	Confident	85	Confident	121 Å²	121	39.2 Å²	39.2	79%	0.786	23%	0.229	S	C	*	.	S	Bend	cis	-73.6	123.5	-11.5	31.1	-33.2	0	0	0	111.7	S230	S230-P232 CarbonylContact O-C 3.56Å; S230-P232 VanDerWaalsContact O-C 3.29Å
233	A	76.7	Confident	84.9	Confident	27 Å²	27	39.4 Å²	39.4	22%	0.223	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-86.5	132	179.9	0	0	0	0	0	111.1	R116 E228 S230	R116-A233 PolarHBondContact NH1-O 3.29Å; R116-A233 VanDerWaalsContact NH1-O 3.09Å; E228-A233 HydrophobicContact CB-CB 4.17Å; E228-A233 HydrophobicContact CG-CB 3.87Å; E228-A233 WeakPolarHBondContact O-CB 3.5Å; S230-A233 VanDerWaalsContact O-CA 3.32Å; S230-A233 WeakPolarHBondContact O-CA 3.1Å; S230-A233 WeakPolarHBondContact O-CB 3.39Å; S230-A233 PolarHBondContact O-N 3.44Å; S230-A233 VanDerWaalsContact O-N 3.14Å
234	V	81.1	Confident	84.5	Confident	33 Å²	33	40.5 Å²	40.5	20%	0.2	24%	0.236	C	C	.	.	S	Bend	trans	-80.4	-49.9	165.6	178	0	0	0	0	109.4	R116 L118 P163 E228	R116-V234 WeakPolarHBondContact CB-O 3.45Å; R116-V234 WeakPolarHBondContact CD-O 3.44Å; L118-V234 HydrophobicContact CD2-CG1 3.83Å; L118-V234 HydrophobicContact CG-CG1 4.2Å; P163-V234 HydrophobicContact CB-CG1 4.07Å; E228-V234 PolarHBondContact OE2-N 2.83Å
235	F	88.8	Confident	83.6	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	24%	0.241	C	C	.	.	S	Bend	trans	-80.3	161.3	-179.3	-61.5	-62.7	0	0	0	112.4	L118 L192 L194 Y224 E228	L118-F235 HydrophobicContact CB-CZ 4.47Å; L118-F235 HydrophobicContact CD1-CE1 4.33Å; L118-F235 HydrophobicContact CD1-CE2 4.19Å; L118-F235 HydrophobicContact CD1-CZ 3.57Å; L118-F235 HydrophobicContact CG-CE1 4.07Å; L118-F235 HydrophobicContact CG-CZ 3.81Å; L192-F235 HydrophobicContact CD1-CD2 4.23Å; L192-F235 HydrophobicContact CD1-CE2 4.1Å; L194-F235 HydrophobicContact CD2-CD2 4.41Å; L194-F235 HydrophobicContact CD2-CE1 4.38Å; L194-F235 HydrophobicContact CD2-CE2 3.51Å; L194-F235 HydrophobicContact CD2-CZ 3.49Å; L194-F235 VanDerWaalsContact CD2-CZ 3.49Å; Y224-F235 WeakPolarHBondContact O-CE1 3.32Å; E228-F235 HydrophobicContact CB-CB 3.84Å; E228-F235 HydrophobicContact CB-CD2 4.34Å
236	P	87	Confident	82.2	Confident	24 Å²	24	42.4 Å²	42.4	16%	0.156	26%	0.255	C	S	.	.			trans	-71.3	161.7	170	32.8	-37.3	0	0	0	111.6	R116 I227 E228 K238	R116-P236 WeakPolarHBondContact O-CD 3.48Å; I227-P236 VanDerWaalsContact CA-O 3.3Å; I227-P236 WeakPolarHBondContact CA-O 3.49Å; E228-P236 PolarHBondContact N-O 3.27Å; P236-K238 VanDerWaalsContact C-N 3.25Å; P236-K238 WeakPolarHBondContact CB-O 3.49Å; P236-K238 WeakPolarHBondContact CG-O 3.43Å; P236-K238 PolarHBondContact O-N 2.89Å
237	P	85.3	Confident	80.6	Confident	80 Å²	80	44.4 Å²	44.4	52%	0.519	27%	0.268	S	S	.	.	S	Bend	trans	-74.8	-13.9	173.9	31.4	-36.3	0	0	0	113.2	I227 D229	I227-P237 VanDerWaalsContact CG2-O 3.3Å; I227-P237 WeakPolarHBondContact CG2-O 3.31Å; D229-P237 VanDerWaalsContact OD1-CB 3.29Å; D229-P237 WeakPolarHBondContact OD1-CB 3.47Å
238	K	87	Confident	79.2	Confident	147 Å²	147	50.3 Å²	50.3	64%	0.639	30%	0.295	S	S	*	.	S	Bend	trans	-146.9	148.4	174	-64.4	-174	-178.4	179.1	0	109.7	P236	P236-K238 VanDerWaalsContact C-N 3.25Å; P236-K238 WeakPolarHBondContact CB-O 3.49Å; P236-K238 WeakPolarHBondContact CG-O 3.43Å; P236-K238 PolarHBondContact O-N 2.89Å
239	L	89.8	Confident	78.2	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	31%	0.306	C	S	.	.			trans	-75.9	164.2	166.7	-63.9	173.1	0	0	0	110.7	I95 T96 L98 V101 M115 L225 I227 L241	I95-L239 CarbonylContact O-C 3.59Å; T96-L239 WeakPolarHBondContact CA-O 3.42Å; T96-L239 PolarHBondContact O-N 3.26Å; L98-L239 HydrophobicContact CD2-CD1 3.98Å; L98-L239 HydrophobicContact CG-CD1 4.25Å; V101-L239 HydrophobicContact CG2-CD1 3.73Å; M115-L239 HydrophobicContact CE-CD2 4.42Å; M115-L239 HydrophobicContact SD-CB 4.12Å; M115-L239 HydrophobicContact SD-CD2 3.76Å; L225-L239 HydrophobicContact CB-CD2 4.27Å; I227-L239 HydrophobicContact CD1-CD1 4.42Å; I227-L239 HydrophobicContact CD1-CG 4.05Å; I227-L239 HydrophobicContact CG1-CD2 4.49Å; I227-L239 HydrophobicContact CG1-CG 4.04Å; L239-L241 HydrophobicContact CD1-CD1 4.24Å
240	S	88.1	Confident	77.5	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.042	31%	0.306	C	S	.	.			trans	-138.3	66.2	174.9	-157.2	0	0	0	0	110.8	H94 R112 Q113 M115	H94-S240 PolarHBondContact CE1-OG 3.35Å; H94-S240 VanDerWaalsContact NE2-CA 3.32Å; H94-S240 WeakPolarHBondContact NE2-CA 3.46Å; H94-S240 PolarHBondContact NE2-OG 2.9Å; R112-S240 PolarHBondContact N-O 3.41Å; Q113-S240 PolarHBondContact OE1-OG 2.75Å; M115-S240 PolarHBondContact SD-N 3.1Å
241	L	89.3	Confident	77.2	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146	-175.6	-66.3	171.9	0	0	0	111.6	H94 I95 V101 F109 I110 V111 M115 L172 L225 L239	H94-L241 PolarHBondContact CD2-O 3.13Å; H94-L241 VanDerWaalsContact CD2-O 3.27Å; I95-L241 HydrophobicContact CB-CB 4.06Å; I95-L241 HydrophobicContact CG2-CB 4.3Å; I95-L241 PolarHBondContact N-O 3.03Å; I95-L241 PolarHBondContact O-N 3.38Å; I95-L241 VanDerWaalsContact O-N 3.13Å; V101-L241 HydrophobicContact CG2-CD1 4.04Å; F109-L241 HydrophobicContact CB-CD2 4.12Å; I110-L241 WeakPolarHBondContact O-CA 3.35Å; V111-L241 HydrophobicContact CG2-CD2 3.87Å; M115-L241 HydrophobicContact CE-CD2 3.55Å; M115-L241 HydrophobicContact CE-CG 3.83Å; L172-L241 HydrophobicContact CD1-CD2 4.31Å; L225-L241 HydrophobicContact CD1-CD1 4.05Å; L239-L241 HydrophobicContact CD1-CD1 4.24Å
242	S	86.5	Confident	77.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.2	160.5	-71.1	0	0	0	0	110	E83 F109 I110 R112	E83-S242 PolarHBondContact OE1-OG 2.95Å; F109-S242 CarbonylContact C-O 3.52Å; F109-S242 WeakPolarHBondContact CA-O 3.45Å; I110-S242 PolarHBondContact N-O 2.92Å; I110-S242 PolarHBondContact O-N 2.95Å; R112-S242 WeakPolarHBondContact CD-OG 3.17Å; R112-S242 PolarHBondContact NH1-OG 3.29Å
243	V	86	Confident	78.2	Confident	16 Å²	16	41.4 Å²	41.4	10%	0.097	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.5	179.8	174.8	0	0	0	0	110.6	I95 T104 A106 F109 G252 V253	I95-V243 HydrophobicContact CD1-CG2 3.75Å; T104-V243 HydrophobicContact CG2-CG2 3.45Å; T104-V243 VanDerWaalsContact CG2-CG2 3.45Å; A106-V243 HydrophobicContact CB-CG1 3.66Å; A106-V243 HydrophobicContact CB-CG2 4.35Å; F109-V243 HydrophobicContact CD1-CG2 4.21Å; F109-V243 HydrophobicContact CE1-CG2 3.88Å; V243-G252 CarbonylContact O-C 3.56Å; V243-G252 WeakPolarHBondContact O-CA 3.43Å; V243-V253 WeakPolarHBondContact O-CB 3.38Å; V243-V253 VanDerWaalsContact O-CG2 3.28Å; V243-V253 WeakPolarHBondContact O-CG2 3.23Å; V243-V253 PolarHBondContact O-N 3.07Å
244	I	82.3	Confident	78.5	Confident	29 Å²	29	40.7 Å²	40.7	15%	0.149	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-73.5	128.9	160.7	-61.5	-51.9	0	0	0	107.8	W81 T108 I110 L171 G246 V253	W81-I244 HydrophobicContact CE3-CD1 3.92Å; W81-I244 HydrophobicContact CH2-CD1 3.97Å; W81-I244 HydrophobicContact CZ3-CD1 3.57Å; T108-I244 HydrophobicContact CG2-CB 4.13Å; T108-I244 HydrophobicContact CG2-CG1 3.87Å; T108-I244 PolarHBondContact O-N 3.4Å; I110-I244 HydrophobicContact CB-CD1 3.76Å; I110-I244 HydrophobicContact CB-CG1 4.41Å; I110-I244 HydrophobicContact CG2-CD1 3.8Å; L171-I244 HydrophobicContact CD2-CD1 3.88Å; L171-I244 HydrophobicContact CD2-CG1 3.84Å; I244-G246 PolarHBondContact O-N 3.35Å; I244-V253 HydrophobicContact CD1-CB 3.91Å; I244-V253 HydrophobicContact CD1-CG1 4.23Å
245	A	72.5	Confident	78.2	Confident	13 Å²	13	42.3 Å²	42.3	11%	0.107	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-62.4	122	-177.6	0	0	0	0	0	111.6	S251 V253 H254	A245-S251 WeakPolarHBondContact CB-O 3.49Å; A245-V253 PolarHBondContact N-O 2.79Å; A245-V253 VanDerWaalsContact N-O 3.1Å; A245-H254 WeakPolarHBondContact CB-CE1 3.47Å; A245-H254 VanDerWaalsContact CB-NE2 3.35Å; A245-H254 WeakPolarHBondContact CB-NE2 3.21Å
246	G	63.3	Low	77.3	Confident	30 Å²	30	42.3 Å²	42.3	31%	0.309	24%	0.235	S	C	.	.			trans	-79.3	-168.3	178.9	0	0	0	0	0	114.2	I244 E248 N249	I244-G246 PolarHBondContact O-N 3.35Å; G246-E248 PolarHBondContact O-N 3.3Å; G246-E248 VanDerWaalsContact O-N 3.12Å; G246-N249 WeakPolarHBondContact O-CA 3.38Å; G246-N249 PolarHBondContact O-N 2.78Å; G246-N249 PolarHBondContact O-OD1 2.88Å
247	P	56.1	Low	76.4	Confident	41 Å²	41	42.4 Å²	42.4	27%	0.266	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.6	-175.8	9.7	-23.7	0	0	0	115	D137 T139 N249	D137-P247 HydrophobicContact CB-CB 4.01Å; D137-P247 HydrophobicContact CB-CG 4.25Å; D137-P247 VanDerWaalsContact OD2-CB 3.29Å; D137-P247 WeakPolarHBondContact OD2-CB 3.24Å; D137-P247 WeakPolarHBondContact OD2-CD 3.37Å; T139-P247 HydrophobicContact CG2-CG 3.63Å; P247-N249 PolarHBondContact O-N 3.21Å; P247-N249 PolarHBondContact O-ND2 3.49Å
248	E	59.7	Low	75.8	Confident	157 Å²	157	39.6 Å²	39.6	73%	0.734	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.4	177.4	-66.7	177.9	-141.7	0	0	113.2	G246 I250	G246-E248 PolarHBondContact O-N 3.3Å; G246-E248 VanDerWaalsContact O-N 3.12Å; E248-I250 WeakPolarHBondContact O-CG1 3.28Å; E248-I250 PolarHBondContact O-N 3.09Å
249	N	65.1	Low	75.2	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.251	19%	0.192	S	C	.	.			trans	58.8	-9.6	166.4	-69.9	-56.4	0	0	0	119.2	G246 P247 H254 K262 F263	G246-N249 WeakPolarHBondContact O-CA 3.38Å; G246-N249 PolarHBondContact O-N 2.78Å; G246-N249 PolarHBondContact O-OD1 2.88Å; P247-N249 PolarHBondContact O-N 3.21Å; P247-N249 PolarHBondContact O-ND2 3.49Å; N249-H254 PolarHBondContact O-CE1 3.1Å; N249-K262 VanDerWaalsContact OD1-CD 3.26Å; N249-K262 WeakPolarHBondContact OD1-CD 3.25Å; N249-K262 VanDerWaalsContact OD1-CE 3.25Å; N249-K262 WeakPolarHBondContact OD1-CE 3.21Å; N249-K262 PolarHBondContact OD1-NZ 3.22Å; N249-F263 WeakPolarHBondContact O-CZ 3.07Å
250	I	65.4	Low	74.4	Confident	136 Å²	136	33 Å²	33	70%	0.697	19%	0.194	S	C	*	.	S	Bend	trans	-72.5	-33.8	-170.9	-69.6	153	0	0	0	113.6	E248	E248-I250 WeakPolarHBondContact O-CG1 3.28Å; E248-I250 PolarHBondContact O-N 3.09Å
251	S	69.9	Low	73.6	Confident	75 Å²	75	40.3 Å²	40.3	52%	0.524	22%	0.22	S	C	.	.	S	Bend	trans	-141.5	142.7	-176.3	74.1	0	0	0	0	113	A245	A245-S251 WeakPolarHBondContact CB-O 3.49Å
252	G	78.7	Confident	72.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	141.5	-166.9	179.2	0	0	0	0	0	113.2	V84 V243 H254	V84-G252 PolarHBondContact N-O 3.41Å; V243-G252 CarbonylContact O-C 3.56Å; V243-G252 WeakPolarHBondContact O-CA 3.43Å; G252-H254 PolarHBondContact O-CD2 2.8Å
253	V	84.5	Confident	72.5	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.5	171.4	-171.2	0	0	0	0	108.7	W81 Y82 E83 I110 V243 I244 A245 I272	W81-V253 HydrophobicContact CB-CG1 3.7Å; W81-V253 HydrophobicContact CD2-CG1 4.3Å; W81-V253 HydrophobicContact CE3-CG1 3.83Å; W81-V253 HydrophobicContact CG-CG1 4.32Å; Y82-V253 WeakPolarHBondContact O-CA 3.43Å; E83-V253 HydrophobicContact CG-CG2 3.94Å; I110-V253 HydrophobicContact CG2-CB 4.32Å; I110-V253 HydrophobicContact CG2-CG1 4.3Å; I110-V253 HydrophobicContact CG2-CG2 3.95Å; V243-V253 WeakPolarHBondContact O-CB 3.38Å; V243-V253 VanDerWaalsContact O-CG2 3.28Å; V243-V253 WeakPolarHBondContact O-CG2 3.23Å; V243-V253 PolarHBondContact O-N 3.07Å; I244-V253 HydrophobicContact CD1-CB 3.91Å; I244-V253 HydrophobicContact CD1-CG1 4.23Å; A245-V253 PolarHBondContact N-O 2.79Å; A245-V253 VanDerWaalsContact N-O 3.1Å; V253-I272 HydrophobicContact CB-CD1 4.15Å; V253-I272 HydrophobicContact CG1-CD1 3.43Å; V253-I272 VanDerWaalsContact CG1-CD1 3.43Å; V253-I272 HydrophobicContact CG1-CG1 4.17Å; V253-I272 HydrophobicContact CG2-CD1 3.52Å
254	H	81.3	Confident	72.3	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.2	-179.9	-54.3	-109.8	0	0	0	110.7	Y82 A245 N249 G252 L259 F263	Y82-H254 PolarHBondContact N-O 3.25Å; Y82-H254 PolarHBondContact O-N 2.84Å; A245-H254 WeakPolarHBondContact CB-CE1 3.47Å; A245-H254 VanDerWaalsContact CB-NE2 3.35Å; A245-H254 WeakPolarHBondContact CB-NE2 3.21Å; N249-H254 PolarHBondContact O-CE1 3.1Å; G252-H254 PolarHBondContact O-CD2 2.8Å; H254-L259 HydrophobicContact CB-CD1 4.41Å; H254-L259 HydrophobicContact CB-CD2 3.53Å; H254-L259 HydrophobicContact CB-CG 3.65Å; H254-F263 AromaticContact CE1-CE2 3.49Å; H254-F263 VanDerWaalsContact CE1-CE2 3.49Å; H254-F263 WeakPolarHBondContact CE1-CE2 3.41Å; H254-F263 AromaticContact CE1-CZ 3.72Å; H254-F263 AromaticContact ND1-CE2 3.94Å; H254-F263 AromaticContact NE2-CE2 3.84Å; H254-F263 AromaticContact NE2-CZ 3.78Å
255	L	76.2	Confident	72.2	Confident	67 Å²	67	59.4 Å²	59.4	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.1	158.7	-62.8	175.9	0	0	0	109.4	G80 W81 S257 G258 L259	G80-L255 WeakPolarHBondContact O-CD2 3.28Å; W81-L255 HydrophobicContact CD2-CD2 3.72Å; W81-L255 HydrophobicContact CE3-CD2 3.71Å; W81-L255 HydrophobicContact CE3-CG 4.04Å; W81-L255 HydrophobicContact CG-CD2 4.39Å; W81-L255 HydrophobicContact CH2-CD2 4.02Å; W81-L255 HydrophobicContact CH2-CG 4.07Å; W81-L255 HydrophobicContact CZ2-CD2 3.98Å; W81-L255 HydrophobicContact CZ3-CD2 3.88Å; W81-L255 HydrophobicContact CZ3-CG 3.81Å; L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 3.3Å; L255-G258 VanDerWaalsContact O-CA 3.32Å; L255-G258 WeakPolarHBondContact O-CA 3.34Å; L255-G258 PolarHBondContact O-N 2.75Å; L255-L259 PolarHBondContact O-N 2.99Å
256	L	70	Confident	72.8	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-33	-177.6	-172.7	48.7	0	0	0	113.3	L74 Y82 G258 L259 L260 L303 L319	L74-L256 HydrophobicContact CD1-CD1 4.49Å; L74-L256 HydrophobicContact CD1-CD2 3.94Å; L74-L256 HydrophobicContact CD1-CG 4.07Å; L74-L256 HydrophobicContact CD2-CD2 3.39Å; L74-L256 HydrophobicContact CD2-CG 4.04Å; L74-L256 HydrophobicContact CG-CD2 4.32Å; Y82-L256 HydrophobicContact CD2-CB 3.72Å; Y82-L256 HydrophobicContact CE1-CD2 4.07Å; Y82-L256 HydrophobicContact CE2-CB 3.52Å; Y82-L256 HydrophobicContact CE2-CD2 3.99Å; Y82-L256 HydrophobicContact CE2-CG 4.35Å; L256-G258 PolarHBondContact O-N 3.29Å; L256-L259 HydrophobicContact CD1-CB 4.26Å; L256-L259 HydrophobicContact CD1-CD1 3.81Å; L256-L259 PolarHBondContact O-N 3.47Å; L256-L260 HydrophobicContact CD1-CG 4.31Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.01Å; L256-L260 VanDerWaalsContact O-N 3.14Å; L256-L303 HydrophobicContact CD2-CD2 4.14Å; L256-L319 HydrophobicContact CD1-CD1 3.87Å
257	S	66.5	Low	73.8	Confident	27 Å²	27	62.4 Å²	62.4	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-24.1	170.5	58	0	0	0	0	113.5	L255 R261	L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 3.3Å; S257-R261 VanDerWaalsContact O-CD 3.24Å; S257-R261 WeakPolarHBondContact O-CD 3.45Å; S257-R261 VanDerWaalsContact O-CG 3.25Å; S257-R261 WeakPolarHBondContact O-CG 3.38Å; S257-R261 PolarHBondContact O-NE 3.09Å
258	G	72.6	Confident	75.2	Confident	20 Å²	20	61.4 Å²	61.4	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-78.1	-43.8	170.3	0	0	0	0	0	112.3	L255 L256 L260 R261 K262	L255-G258 VanDerWaalsContact O-CA 3.32Å; L255-G258 WeakPolarHBondContact O-CA 3.34Å; L255-G258 PolarHBondContact O-N 2.75Å; L256-G258 PolarHBondContact O-N 3.29Å; G258-L260 PolarHBondContact O-N 3.1Å; G258-R261 PolarHBondContact O-N 3.16Å; G258-K262 WeakPolarHBondContact O-CB 3.19Å; G258-K262 WeakPolarHBondContact O-CG 3.25Å; G258-K262 PolarHBondContact O-N 3.43Å
259	L	75.2	Confident	76.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-53.9	177	-69.2	172.3	0	0	0	111.7	Y82 V84 H254 L255 L256 R261 K262 F263 L267 V269	Y82-L259 HydrophobicContact CG-CD1 4.36Å; V84-L259 HydrophobicContact CG2-CD2 3.42Å; V84-L259 VanDerWaalsContact CG2-CD2 3.42Å; H254-L259 HydrophobicContact CB-CD1 4.41Å; H254-L259 HydrophobicContact CB-CD2 3.53Å; H254-L259 HydrophobicContact CB-CG 3.65Å; L255-L259 PolarHBondContact O-N 2.99Å; L256-L259 HydrophobicContact CD1-CB 4.26Å; L256-L259 HydrophobicContact CD1-CD1 3.81Å; L256-L259 PolarHBondContact O-N 3.47Å; L259-R261 PolarHBondContact O-N 2.81Å; L259-R261 VanDerWaalsContact O-N 3.07Å; L259-K262 PolarHBondContact O-N 2.97Å; L259-F263 HydrophobicContact CD2-CD2 3.85Å; L259-F263 HydrophobicContact CD2-CE2 3.7Å; L259-F263 PolarHBondContact O-N 2.98Å; L259-L267 HydrophobicContact CD2-CD2 4.12Å; L259-V269 HydrophobicContact CD1-CB 4.33Å; L259-V269 HydrophobicContact CD1-CG1 3.85Å
260	L	73	Confident	77.1	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-3.7	-177.7	-61.7	-179.6	0	0	0	115.5	T43 L74 L256 G258 L265 L319 L322 R324	T43-L260 HydrophobicContact CG2-CD1 4.25Å; L74-L260 HydrophobicContact CB-CD1 3.96Å; L74-L260 HydrophobicContact CD1-CD1 3.4Å; L74-L260 VanDerWaalsContact CD1-CD1 3.4Å; L74-L260 HydrophobicContact CD1-CG 4.49Å; L74-L260 HydrophobicContact CG-CD1 4.3Å; L256-L260 HydrophobicContact CD1-CG 4.31Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.01Å; L256-L260 VanDerWaalsContact O-N 3.14Å; G258-L260 PolarHBondContact O-N 3.1Å; L260-L265 HydrophobicContact CD2-CD1 4.49Å; L260-L319 HydrophobicContact CD2-CD1 4.08Å; L260-L322 HydrophobicContact CB-CD1 4.43Å; L260-L322 HydrophobicContact CB-CD2 4.19Å; L260-L322 HydrophobicContact CD1-CD1 3.79Å; L260-L322 HydrophobicContact CD2-CD1 3.75Å; L260-L322 HydrophobicContact CG-CD1 4.19Å; L260-R324 PolarHBondContact O-NH2 3.07Å
261	R	71.8	Confident	77.6	Confident	159 Å²	159	46.4 Å²	46.4	60%	0.6	23%	0.227	S	C	*	.	H	α-helix	trans	-104.3	-35.1	173.2	-69.5	175.3	-172	168.4	4.7	112.1	S257 G258 L259	S257-R261 VanDerWaalsContact O-CD 3.24Å; S257-R261 WeakPolarHBondContact O-CD 3.45Å; S257-R261 VanDerWaalsContact O-CG 3.25Å; S257-R261 WeakPolarHBondContact O-CG 3.38Å; S257-R261 PolarHBondContact O-NE 3.09Å; G258-R261 PolarHBondContact O-N 3.16Å; L259-R261 PolarHBondContact O-N 2.81Å; L259-R261 VanDerWaalsContact O-N 3.07Å
262	K	74.5	Confident	77.7	Confident	119 Å²	119	43.2 Å²	43.2	52%	0.517	20%	0.204	S	C	.	.	H	α-helix	trans	-93.7	-36.8	-172.5	-69.2	177.6	164.9	-172	0	113.3	N249 G258 L259	N249-K262 VanDerWaalsContact OD1-CD 3.26Å; N249-K262 WeakPolarHBondContact OD1-CD 3.25Å; N249-K262 VanDerWaalsContact OD1-CE 3.25Å; N249-K262 WeakPolarHBondContact OD1-CE 3.21Å; N249-K262 PolarHBondContact OD1-NZ 3.22Å; G258-K262 WeakPolarHBondContact O-CB 3.19Å; G258-K262 WeakPolarHBondContact O-CG 3.25Å; G258-K262 PolarHBondContact O-N 3.43Å; L259-K262 PolarHBondContact O-N 2.97Å
263	F	77.8	Confident	77	Confident	48 Å²	48	45.4 Å²	45.4	21%	0.211	22%	0.218	C	C	.	.	S	Bend	trans	-100.5	149.3	-175.6	-67.1	-98.3	0	0	0	112.5	V84 N249 H254 L259 L267	V84-F263 HydrophobicContact CG1-CE1 4.3Å; V84-F263 HydrophobicContact CG2-CE1 4.34Å; V84-F263 HydrophobicContact CG2-CE2 4.16Å; V84-F263 HydrophobicContact CG2-CZ 3.84Å; N249-F263 WeakPolarHBondContact O-CZ 3.07Å; H254-F263 AromaticContact CE1-CE2 3.49Å; H254-F263 VanDerWaalsContact CE1-CE2 3.49Å; H254-F263 WeakPolarHBondContact CE1-CE2 3.41Å; H254-F263 AromaticContact CE1-CZ 3.72Å; H254-F263 AromaticContact ND1-CE2 3.94Å; H254-F263 AromaticContact NE2-CE2 3.84Å; H254-F263 AromaticContact NE2-CZ 3.78Å; L259-F263 HydrophobicContact CD2-CD2 3.85Å; L259-F263 HydrophobicContact CD2-CE2 3.7Å; L259-F263 PolarHBondContact O-N 2.98Å; F263-L267 HydrophobicContact CB-CD1 4.36Å; F263-L267 HydrophobicContact CB-CD2 3.8Å; F263-L267 HydrophobicContact CD1-CD1 3.81Å; F263-L267 HydrophobicContact CD1-CD2 4.22Å; F263-L267 HydrophobicContact CD2-CD2 4.23Å; F263-L267 HydrophobicContact CE1-CD1 4.41Å; F263-L267 HydrophobicContact CG-CD1 4.23Å; F263-L267 HydrophobicContact CG-CD2 3.83Å
264	R	80.8	Confident	75.9	Confident	235 Å²	235	47.1 Å²	47.1	89%	0.887	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-79.9	153.6	161.7	-65	-178.2	179	-177.4	-0.3	109.3
265	L	81	Confident	74.5	Confident	46 Å²	46	49.8 Å²	49.8	24%	0.241	25%	0.246	C	C	.	.	S	Bend	trans	-100.1	153	174.6	-61.6	-174.3	0	0	0	109.9	L260 L267 L319 H320 L322	L260-L265 HydrophobicContact CD2-CD1 4.49Å; L265-L267 HydrophobicContact CD2-CB 3.67Å; L265-L319 HydrophobicContact CD1-CB 4.34Å; L265-L319 HydrophobicContact CD2-CB 3.69Å; L265-L319 HydrophobicContact CD2-CD1 4.46Å; L265-H320 WeakPolarHBondContact CB-O 3.5Å; L265-L322 HydrophobicContact CD1-CB 4Å
266	P	85.5	Confident	72.9	Confident	87 Å²	87	48.2 Å²	48.2	57%	0.565	24%	0.237	S	C	*	.	S	Bend	cis	-74.2	149.6	5.6	31.1	-36.2	0	0	0	114.3	L319	P266-L319 CarbonylContact C-O 3.53Å; P266-L319 WeakPolarHBondContact CA-O 3.43Å
267	L	84.1	Confident	71.5	Confident	20 Å²	20	51.9 Å²	51.9	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.1	179.4	-170.6	72.7	0	0	0	111.3	V84 L259 F263 L265 V269 L319	V84-L267 HydrophobicContact CG1-CD1 4.07Å; V84-L267 HydrophobicContact CG2-CD2 4.49Å; L259-L267 HydrophobicContact CD2-CD2 4.12Å; F263-L267 HydrophobicContact CB-CD1 4.36Å; F263-L267 HydrophobicContact CB-CD2 3.8Å; F263-L267 HydrophobicContact CD1-CD1 3.81Å; F263-L267 HydrophobicContact CD1-CD2 4.22Å; F263-L267 HydrophobicContact CD2-CD2 4.23Å; F263-L267 HydrophobicContact CE1-CD1 4.41Å; F263-L267 HydrophobicContact CG-CD1 4.23Å; F263-L267 HydrophobicContact CG-CD2 3.83Å; L265-L267 HydrophobicContact CD2-CB 3.67Å; L267-V269 HydrophobicContact CD2-CG1 3.63Å; L267-V269 HydrophobicContact CG-CG1 3.78Å; L267-L319 PolarHBondContact N-O 3.02Å; L267-L319 PolarHBondContact O-N 3.45Å
268	S	86.1	Confident	69.9	Low	20 Å²	20	55.6 Å²	55.6	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.9	174.7	-63.1	0	0	0	0	110.1	L85 F316	L85-S268 WeakPolarHBondContact CB-O 3.36Å; L85-S268 PolarHBondContact N-O 3.32Å; S268-F316 WeakPolarHBondContact OG-CE2 3.44Å
269	V	83.8	Confident	67.8	Low	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.1	-179	-54.3	0	0	0	0	111.9	Y82 E83 V84 L259 L267 L317 L319	Y82-V269 HydrophobicContact CD1-CG2 4.32Å; E83-V269 CarbonylContact O-C 3.55Å; E83-V269 VanDerWaalsContact O-CA 3.29Å; E83-V269 WeakPolarHBondContact O-CA 3.47Å; V84-V269 HydrophobicContact CG2-CG1 4.49Å; L259-V269 HydrophobicContact CD1-CB 4.33Å; L259-V269 HydrophobicContact CD1-CG1 3.85Å; L267-V269 HydrophobicContact CD2-CG1 3.63Å; L267-V269 HydrophobicContact CG-CG1 3.78Å; V269-L317 HydrophobicContact CG2-CB 4.19Å; V269-L317 HydrophobicContact CG2-CD2 4.26Å; V269-L317 PolarHBondContact N-O 3.33Å; V269-L317 PolarHBondContact O-N 3.01Å; V269-L317 VanDerWaalsContact O-O 3.13Å; V269-L319 HydrophobicContact CG1-CD1 4.29Å; V269-L319 HydrophobicContact CG2-CD1 3.92Å; V269-L319 HydrophobicContact CG2-CG 4.25Å
270	R	80.1	Confident	65.4	Low	24 Å²	24	66.2 Å²	66.2	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	178	-171.3	175.3	66.8	165.3	3.9	110.1	Y82 E83 L85 P91 I272 F311 E313	Y82-R270 CarbonylContact C-O 3.59Å; Y82-R270 WeakPolarHBondContact CA-O 3.33Å; E83-R270 PolarHBondContact N-O 3.49Å; E83-R270 PolarHBondContact O-N 2.84Å; E83-R270 IonicContact OE2-CZ 2.7Å; E83-R270 IonicContact OE2-NE 3.48Å; E83-R270 IonicContact OE2-NH2 2.68Å; E83-R270 PolarHBondContact OE2-NH2 3.46Å; L85-R270 HydrophobicContact CD1-CB 4.29Å; L85-R270 HydrophobicContact CD2-CB 3.92Å; L85-R270 HydrophobicContact CG-CB 4.34Å; P91-R270 VanDerWaalsContact CB-NH2 3.34Å; R270-I272 PolarHBondContact O-N 3.08Å; R270-F311 HydrophobicContact CG-CE2 3.84Å; R270-F311 HydrophobicContact CG-CZ 3.86Å; R270-E313 PolarHBondContact NH1-O 3.35Å
271	P	75.7	Confident	63.2	Low	1 Å²	1	70.5 Å²	70.5	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	140.2	169.5	-25.1	33.7	0	0	0	111.5	Y82 C301 F311	Y82-P271 HydrophobicContact CD1-CB 4.32Å; Y82-P271 HydrophobicContact CD1-CG 4.14Å; Y82-P271 HydrophobicContact CE1-CB 4.25Å; Y82-P271 HydrophobicContact CE1-CG 3.98Å; P271-C301 HydrophobicContact CB-CB 4.26Å; P271-F311 HydrophobicContact CB-CE2 4.26Å; P271-F311 HydrophobicContact CB-CZ 4.34Å; P271-F311 HydrophobicContact CG-CD2 4.35Å; P271-F311 HydrophobicContact CG-CE2 4.23Å; P271-F311 WeakPolarHBondContact O-CZ 3.28Å
272	I	71.9	Confident	61	Low	8 Å²	8	66 Å²	66	4%	0.041	34%	0.335	C	S	.	.			trans	-80.3	126	164.6	-65.5	-158.8	0	0	0	108.2	W81 E83 I110 V253 R270 L274	W81-I272 HydrophobicContact CB-CB 4.19Å; W81-I272 HydrophobicContact CB-CD1 4.4Å; W81-I272 HydrophobicContact CB-CG1 4.32Å; W81-I272 PolarHBondContact O-N 3.04Å; E83-I272 HydrophobicContact CG-CD1 3.9Å; E83-I272 HydrophobicContact CG-CG1 3.88Å; I110-I272 HydrophobicContact CG2-CD1 4.22Å; V253-I272 HydrophobicContact CB-CD1 4.15Å; V253-I272 HydrophobicContact CG1-CD1 3.43Å; V253-I272 VanDerWaalsContact CG1-CD1 3.43Å; V253-I272 HydrophobicContact CG1-CG1 4.17Å; V253-I272 HydrophobicContact CG2-CD1 3.52Å; R270-I272 PolarHBondContact O-N 3.08Å; I272-L274 HydrophobicContact CG2-CD2 3.72Å; I272-L274 HydrophobicContact CG2-CG 4.01Å; I272-L274 PolarHBondContact O-N 3.47Å; I272-L274 VanDerWaalsContact O-N 3.17Å
273	P	64.8	Low	58.7	Low	46 Å²	46	67.5 Å²	67.5	30%	0.299	35%	0.349	S	S	.	.			trans	-70.6	111.9	166.4	29.7	-29	0	0	0	108.4	V299 F311	P273-V299 HydrophobicContact CB-CG1 3.82Å; P273-V299 HydrophobicContact CB-CG2 3.9Å; P273-F311 HydrophobicContact CB-CD1 4.34Å; P273-F311 HydrophobicContact CB-CE1 3.93Å; P273-F311 HydrophobicContact CG-CE1 3.94Å
274	L	60.5	Low	56.3	Low	37 Å²	37	72.2 Å²	72.2	19%	0.194	38%	0.382	C	S	.	.			trans	-106.9	139	162.7	-61.9	-178.6	0	0	0	107.5	I110 A168 I272	I110-L274 HydrophobicContact CD1-CD1 4.34Å; A168-L274 HydrophobicContact CB-CD2 4.46Å; I272-L274 HydrophobicContact CG2-CD2 3.72Å; I272-L274 HydrophobicContact CG2-CG 4.01Å; I272-L274 PolarHBondContact O-N 3.47Å; I272-L274 VanDerWaalsContact O-N 3.17Å
275	P	53	Low	53.6	Low	68 Å²	68	66.2 Å²	66.2	44%	0.442	38%	0.375	S	S	.	.			trans	-58.3	138.5	166.8	-17.6	30.7	0	0	0	110.3	A168 S277	A168-P275 HydrophobicContact CB-CG 3.79Å; P275-S277 PolarHBondContact O-N 2.86Å; P275-S277 VanDerWaalsContact O-N 3.09Å
276	D	42.5	Very low	51	Low	34 Å²	34	69.1 Å²	69.1	18%	0.182	40%	0.4	C	S	.	.			trans	-58	114.9	170.9	-66.6	-11.9	0	0	0	109.4	Y278 K298 T300	D276-Y278 PolarHBondContact O-N 3.34Å; D276-K298 WeakPolarHBondContact OD2-CB 3.31Å; D276-T300 VanDerWaalsContact OD1-CB 3.26Å; D276-T300 WeakPolarHBondContact OD1-CB 3.22Å; D276-T300 VanDerWaalsContact OD1-CG2 3.29Å; D276-T300 WeakPolarHBondContact OD1-CG2 3.21Å; D276-T300 PolarHBondContact OD1-N 3.23Å; D276-T300 PolarHBondContact OD1-OG1 3.24Å
277	S	40.1	Very low	48.2	Very low	78 Å²	78	73.6 Å²	73.6	55%	0.545	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	22.8	-177.5	59.8	0	0	0	0	114.2	P275	P275-S277 PolarHBondContact O-N 2.86Å; P275-S277 VanDerWaalsContact O-N 3.09Å
278	Y	33.4	Very low	45.3	Very low	105 Å²	105	84 Å²	84	41%	0.412	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	20	-156.6	-73.7	-50.9	0	0	0	113.8	D276 L510 L514	D276-Y278 PolarHBondContact O-N 3.34Å; Y278-L510 HydrophobicContact CD1-CB 4.42Å; Y278-L510 HydrophobicContact CE1-CB 4Å; Y278-L510 HydrophobicContact CE1-CD1 3.82Å; Y278-L510 HydrophobicContact CE1-CD2 3.98Å; Y278-L510 HydrophobicContact CE1-CG 4.14Å; Y278-L514 HydrophobicContact CD1-CD1 4.07Å; Y278-L514 HydrophobicContact CG-CD1 4.1Å; Y278-L514 WeakPolarHBondContact O-CD1 2.94Å
279	N	27.7	Very low	42.3	Very low	126 Å²	126	94 Å²	94	67%	0.674	49%	0.488	S	S	*	.			trans	-116.7	66.7	173.8	-68.2	-72	0	0	0	111.3	T281	N279-T281 PolarHBondContact O-N 3.39Å; N279-T281 VanDerWaalsContact O-N 3.1Å
280	Y	26.5	Very low	39.5	Very low	117 Å²	117	99.3 Å²	99.3	46%	0.459	52%	0.522	S	S	.	.			trans	-79.2	41.1	175.7	-100.9	-77.4	0	0	0	113.1	R167 T282 T516	R167-Y280 PolarHBondContact NH1-OH 3.02Å; R167-Y280 PolarHBondContact NH2-OH 3.23Å; Y280-T282 VanDerWaalsContact C-N 3.26Å; Y280-T282 PolarHBondContact O-N 3.05Å; Y280-T282 PolarHBondContact O-OG1 2.89Å; Y280-T516 VanDerWaalsContact C-CG2 3.42Å; Y280-T516 VanDerWaalsContact CB-CB 3.46Å; Y280-T516 WeakPolarHBondContact O-CB 3.17Å
281	T	25.1	Very low	36.8	Very low	103 Å²	103	102.4 Å²	102.4	63%	0.632	55%	0.547	S	S	*	.			trans	-74	78.8	-179.8	37	0	0	0	0	111.9	N279 N283 T516	N279-T281 PolarHBondContact O-N 3.39Å; N279-T281 VanDerWaalsContact O-N 3.1Å; T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.07Å; T281-T516 HydrophobicContact CG2-CG2 4.26Å
282	T	26.9	Very low	34.6	Very low	65 Å²	65	110.4 Å²	110.4	40%	0.399	59%	0.589	S	S	.	*			trans	-67.1	77.6	175	39.7	0	0	0	0	111.6	Y280 P517	Y280-T282 VanDerWaalsContact C-N 3.26Å; Y280-T282 PolarHBondContact O-N 3.05Å; Y280-T282 PolarHBondContact O-OG1 2.89Å; T282-P517 WeakPolarHBondContact OG1-CB 3.4Å; T282-P517 VanDerWaalsContact OG1-CD 3.28Å; T282-P517 WeakPolarHBondContact OG1-CD 2.95Å; T282-P517 PolarHBondContact OG1-O 3.08Å
283	N	25.7	Very low	32.3	Very low	150 Å²	150	117.5 Å²	117.5	80%	0.802	62%	0.624	S	S	*	*			trans	-122.5	107.1	166.9	-106.2	-37.5	0	0	0	110.5	T281 S285	T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.07Å; N283-S285 PolarHBondContact O-N 2.91Å; N283-S285 VanDerWaalsContact O-N 3.09Å
284	T	28.2	Very low	30.4	Very low	147 Å²	147	121.2 Å²	121.2	90%	0.902	64%	0.642	S	S	*	*			trans	-76.1	92.1	-175.5	49.1	0	0	0	0	112.1
285	S	24.1	Very low	28.8	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	67%	0.665	S	S	*	*			trans	-152.6	135.6	158.2	58.2	0	0	0	0	114.4	N283	N283-S285 PolarHBondContact O-N 2.91Å; N283-S285 VanDerWaalsContact O-N 3.09Å
286	S	25.9	Very low	27.6	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	67%	0.674	S	S	*	*			trans	22.7	112.4	158.1	-154.9	0	0	0	0	120.7	R288	S286-R288 PolarHBondContact O-N 3.34Å
287	M	25.6	Very low	27.1	Very low	182 Å²	182	130 Å²	130	90%	0.897	69%	0.694	S	S	*	*			trans	37.6	69.6	135.3	-80.8	-72.1	-179.6	0	0	117.9
288	R	23.3	Very low	26.9	Very low	239 Å²	239	134.4 Å²	134.4	90%	0.902	70%	0.703	S	S	*	*			trans	-113.4	90.6	150.6	-71.9	-166.2	175.9	-165.8	-0.4	110.9	S286 P290	S286-R288 PolarHBondContact O-N 3.34Å; R288-P290 WeakPolarHBondContact O-CD 3.34Å
289	R	23.4	Very low	26.9	Very low	229 Å²	229	131.2 Å²	131.2	86%	0.864	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-47	120.1	161.9	-169.5	-174.9	-154.8	174.4	6.6	107.7	S291	R289-S291 PolarHBondContact O-N 2.78Å; R289-S291 VanDerWaalsContact O-N 3.14Å
290	P	26.1	Very low	27.3	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-54.2	123.7	-178.5	-28.1	35.5	0	0	0	110.2	R288 L292	R288-P290 WeakPolarHBondContact O-CD 3.34Å; P290-L292 PolarHBondContact O-N 3.16Å
291	S	23	Very low	27.9	Very low	88 Å²	88	124.5 Å²	124.5	62%	0.615	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-68.9	133.3	-179.7	51.9	0	0	0	0	109.2	R289 M293 N294	R289-S291 PolarHBondContact O-N 2.78Å; R289-S291 VanDerWaalsContact O-N 3.14Å; S291-M293 PolarHBondContact O-N 3.17Å; S291-N294 PolarHBondContact O-N 2.66Å
292	L	29.2	Very low	28.5	Very low	169 Å²	169	121.6 Å²	121.6	89%	0.885	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	15.3	179.7	-92.3	73.3	0	0	0	114	P290	P290-L292 PolarHBondContact O-N 3.16Å
293	M	23.9	Very low	29.1	Very low	158 Å²	158	119.5 Å²	119.5	78%	0.778	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	4.7	-172.8	-66.8	-64.7	174.1	0	0	113.7	S291 T295	S291-M293 PolarHBondContact O-N 3.17Å; M293-T295 PolarHBondContact O-N 2.87Å; M293-T295 VanDerWaalsContact O-N 3.14Å
294	N	24.2	Very low	29.5	Very low	124 Å²	124	116.1 Å²	116.1	66%	0.663	63%	0.633	S	S	*	*			trans	-83.3	84.2	167.4	-165.7	11.5	0	0	0	109.6	S291 N296	S291-N294 PolarHBondContact O-N 2.66Å; N294-N296 VanDerWaalsContact C-N 3.28Å; N294-N296 PolarHBondContact O-N 3.03Å
295	T	28.1	Very low	29.8	Very low	112 Å²	112	113 Å²	113	69%	0.687	62%	0.622	S	S	*	*			trans	-75.9	-1.5	-161.2	47	0	0	0	0	116.3	M293	M293-T295 PolarHBondContact O-N 2.87Å; M293-T295 VanDerWaalsContact O-N 3.14Å
296	N	27.5	Very low	30.2	Very low	118 Å²	118	109.5 Å²	109.5	63%	0.631	60%	0.596	S	S	*	*			trans	-136.6	82.3	173.7	-78.9	-70.5	0	0	0	111.4	N294 K298	N294-N296 VanDerWaalsContact C-N 3.28Å; N294-N296 PolarHBondContact O-N 3.03Å; N296-K298 PolarHBondContact O-N 2.8Å
297	P	32.3	Very low	30.6	Very low	92 Å²	92	112.4 Å²	112.4	60%	0.597	60%	0.598	S	S	*	*			trans	-55.8	132.1	151.3	27.6	-33.3	0	0	0	108	V299	P297-V299 PolarHBondContact O-N 2.79Å; P297-V299 VanDerWaalsContact O-N 3.11Å
298	K	34.3	Very low	31.3	Very low	171 Å²	171	109.5 Å²	109.5	74%	0.743	59%	0.592	S	S	*	*			trans	-63.5	118	171.8	-73.2	-176.8	179.4	178	0	107.9	D276 N296	D276-K298 WeakPolarHBondContact OD2-CB 3.31Å; N296-K298 PolarHBondContact O-N 2.8Å
299	V	34.6	Very low	32.4	Very low	38 Å²	38	100.6 Å²	100.6	23%	0.23	56%	0.562	C	S	.	*			trans	-107.7	99.1	174.9	168.8	0	0	0	0	106.4	P273 P297 C301 F311	P273-V299 HydrophobicContact CB-CG1 3.82Å; P273-V299 HydrophobicContact CB-CG2 3.9Å; P297-V299 PolarHBondContact O-N 2.79Å; P297-V299 VanDerWaalsContact O-N 3.11Å; V299-C301 VanDerWaalsContact C-N 3.29Å; V299-C301 PolarHBondContact O-N 2.79Å; V299-F311 HydrophobicContact CG1-CD1 4.34Å
300	T	36.4	Very low	33.8	Very low	84 Å²	84	93.1 Å²	93.1	52%	0.515	55%	0.545	S	S	.	.			trans	-76.3	83.6	172.8	53.8	0	0	0	0	111.3	D276	D276-T300 VanDerWaalsContact OD1-CB 3.26Å; D276-T300 WeakPolarHBondContact OD1-CB 3.22Å; D276-T300 VanDerWaalsContact OD1-CG2 3.29Å; D276-T300 WeakPolarHBondContact OD1-CG2 3.21Å; D276-T300 PolarHBondContact OD1-N 3.23Å; D276-T300 PolarHBondContact OD1-OG1 3.24Å
301	C	37.3	Very low	35.3	Very low	18 Å²	18	89.8 Å²	89.8	12%	0.122	52%	0.52	C	S	.	.			trans	-60.2	139.6	153.6	-179.8	0	0	0	0	108.6	P271 V299 L303 V304	P271-C301 HydrophobicContact CB-CB 4.26Å; V299-C301 VanDerWaalsContact C-N 3.29Å; V299-C301 PolarHBondContact O-N 2.79Å; C301-L303 PolarHBondContact O-N 2.65Å; C301-V304 VanDerWaalsContact O-CG2 3.26Å; C301-V304 WeakPolarHBondContact O-CG2 3.25Å; C301-V304 PolarHBondContact O-N 3.43Å
302	G	39.5	Very low	37.2	Very low	42 Å²	42	88.6 Å²	88.6	43%	0.433	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	5	177	0	0	0	0	0	115.6
303	L	38.9	Very low	38.8	Very low	21 Å²	21	87.9 Å²	87.9	11%	0.11	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	8.3	176.3	-52.7	177.2	0	0	0	113.2	L72 L74 Y82 L256 C301 A305 V306 L317	L72-L303 HydrophobicContact CD1-CD1 3.84Å; L72-L303 HydrophobicContact CD1-CD2 4.04Å; L72-L303 HydrophobicContact CD2-CD2 4.38Å; L74-L303 HydrophobicContact CD2-CD2 3.81Å; Y82-L303 HydrophobicContact CE1-CD1 4.03Å; Y82-L303 WeakPolarHBondContact OH-CG 3.18Å; L256-L303 HydrophobicContact CD2-CD2 4.14Å; C301-L303 PolarHBondContact O-N 2.65Å; L303-A305 PolarHBondContact O-N 3.47Å; L303-V306 PolarHBondContact O-N 2.97Å; L303-L317 HydrophobicContact CD1-CD2 3.69Å
304	V	33.4	Very low	41.1	Very low	79 Å²	79	86.6 Å²	86.6	48%	0.479	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-14.5	-178.1	153.6	0	0	0	0	114.9	C301 V306	C301-V304 VanDerWaalsContact O-CG2 3.26Å; C301-V304 WeakPolarHBondContact O-CG2 3.25Å; C301-V304 PolarHBondContact O-N 3.43Å; V304-V306 PolarHBondContact O-N 2.7Å; V304-V306 VanDerWaalsContact O-N 3.11Å
305	A	35.5	Very low	43.7	Very low	83 Å²	83	81.5 Å²	81.5	69%	0.686	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.9	166.5	0	0	0	0	0	114.4	L303 F376	L303-A305 PolarHBondContact O-N 3.47Å; A305-F376 HydrophobicContact CB-CE2 4.22Å
306	V	32.8	Very low	46.1	Very low	33 Å²	33	76.1 Å²	76.1	20%	0.2	43%	0.43	C	S	.	.	S	Bend	trans	-104.5	73.7	176.3	-166.6	0	0	0	0	111.1	L72 L303 V304 L309	L72-V306 HydrophobicContact CD2-CG2 3.61Å; L303-V306 PolarHBondContact O-N 2.97Å; V304-V306 PolarHBondContact O-N 2.7Å; V304-V306 VanDerWaalsContact O-N 3.11Å; V306-L309 HydrophobicContact CB-CD1 4.05Å; V306-L309 HydrophobicContact CG1-CD1 3.69Å; V306-L309 HydrophobicContact CG1-CG 4.14Å; V306-L309 WeakPolarHBondContact O-CB 3.41Å; V306-L309 WeakPolarHBondContact O-CG 3.29Å; V306-L309 PolarHBondContact O-N 3.43Å
307	Q	34	Very low	48.6	Very low	168 Å²	168	70.9 Å²	70.9	79%	0.785	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	150.8	161	-68.8	-172.4	3.1	0	0	110.1
308	P	38.7	Very low	51.1	Low	121 Å²	121	70.2 Å²	70.2	79%	0.786	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101.5	34.8	7	40.7	-35.8	0	0	0	113.6	S310	P308-S310 PolarHBondContact O-N 3.37Å; P308-S310 VanDerWaalsContact O-N 3.07Å
309	L	48.2	Very low	53.2	Low	52 Å²	52	62.1 Å²	62.1	27%	0.272	35%	0.352	S	S	.	.			trans	-63	110.5	-173.9	-62.1	179.8	0	0	0	112.4	W49 V68 V306	W49-L309 HydrophobicContact CB-CD1 4.42Å; W49-L309 HydrophobicContact CB-CD2 4.17Å; W49-L309 HydrophobicContact CD2-CD1 3.99Å; W49-L309 HydrophobicContact CD2-CD2 4.21Å; W49-L309 HydrophobicContact CE3-CD1 4.05Å; W49-L309 HydrophobicContact CG-CD1 4.19Å; W49-L309 HydrophobicContact CG-CD2 3.79Å; W49-L309 HydrophobicContact CZ2-CB 4.48Å; V68-L309 HydrophobicContact CB-CD2 4.14Å; V68-L309 HydrophobicContact CG2-CD2 3.76Å; V306-L309 HydrophobicContact CB-CD1 4.05Å; V306-L309 HydrophobicContact CG1-CD1 3.69Å; V306-L309 HydrophobicContact CG1-CG 4.14Å; V306-L309 WeakPolarHBondContact O-CB 3.41Å; V306-L309 WeakPolarHBondContact O-CG 3.29Å; V306-L309 PolarHBondContact O-N 3.43Å
310	S	52.4	Low	55.4	Low	72 Å²	72	63.5 Å²	63.5	50%	0.503	36%	0.356	S	S	.	.			trans	-86.9	119.3	172	54.3	0	0	0	0	110.2	P308	P308-S310 PolarHBondContact O-N 3.37Å; P308-S310 VanDerWaalsContact O-N 3.07Å
311	F	56.8	Low	57.2	Low	43 Å²	43	61.1 Å²	61.1	19%	0.189	34%	0.343	C	S	.	.			trans	-83.2	126.3	-179.9	178.8	-111.3	0	0	0	111.6	W49 R270 P271 P273 V299	W49-F311 HydrophobicContact CH2-CB 4.43Å; W49-F311 AromaticContact CH2-CD2 3.77Å; W49-F311 HydrophobicContact CH2-CD2 3.77Å; W49-F311 HydrophobicContact CZ2-CB 4.48Å; W49-F311 HydrophobicContact CZ2-CD2 4.08Å; R270-F311 HydrophobicContact CG-CE2 3.84Å; R270-F311 HydrophobicContact CG-CZ 3.86Å; P271-F311 HydrophobicContact CB-CE2 4.26Å; P271-F311 HydrophobicContact CB-CZ 4.34Å; P271-F311 HydrophobicContact CG-CD2 4.35Å; P271-F311 HydrophobicContact CG-CE2 4.23Å; P271-F311 WeakPolarHBondContact O-CZ 3.28Å; P273-F311 HydrophobicContact CB-CD1 4.34Å; P273-F311 HydrophobicContact CB-CE1 3.93Å; P273-F311 HydrophobicContact CG-CE1 3.94Å; V299-F311 HydrophobicContact CG1-CD1 4.34Å
312	T	62.7	Low	58.9	Low	62 Å²	62	62.7 Å²	62.7	38%	0.38	35%	0.35	S	S	.	.			trans	-139.6	165.3	169.8	86.4	0	0	0	0	109.5	K314 H315	T312-K314 PolarHBondContact O-N 3.14Å; T312-H315 PolarHBondContact N-ND1 2.85Å; T312-H315 PolarHBondContact O-N 3.29Å; T312-H315 PolarHBondContact OG1-CE1 2.99Å; T312-H315 VanDerWaalsContact OG1-CE1 3.27Å; T312-H315 PolarHBondContact OG1-ND1 3.29Å
313	E	64.3	Low	60.1	Low	154 Å²	154	66.3 Å²	66.3	72%	0.72	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.6	-174.1	-57.9	-170.7	148.3	0	0	115.6	R270	R270-E313 PolarHBondContact NH1-O 3.35Å
314	K	71.6	Confident	61.2	Low	132 Å²	132	73.5 Å²	73.5	57%	0.574	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.3	179	-58.2	-176.6	-179.4	179.5	0	114.3	L51 W52 T312	L51-K314 HydrophobicContact CD1-CB 3.51Å; L51-K314 HydrophobicContact CD1-CD 4.29Å; W52-K314 PolarHBondContact N-O 3.3Å; T312-K314 PolarHBondContact O-N 3.14Å
315	H	77.6	Confident	62.4	Low	16 Å²	16	70.9 Å²	70.9	7%	0.074	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145	-179.2	-58.1	97.8	0	0	0	110.8	W49 E50 E67 T312	W49-H315 HydrophobicContact CZ2-CB 3.63Å; W49-H315 AromaticContact NE1-CD2 3.39Å; W49-H315 PolarHBondContact NE1-CD2 3.08Å; W49-H315 AromaticContact NE1-CG 3.71Å; E50-H315 WeakPolarHBondContact O-CA 3.46Å; E67-H315 IonicContact OE1-NE2 3.18Å; E67-H315 IonicContact OE2-CD2 2.73Å; E67-H315 PolarHBondContact OE2-CD2 2.89Å; E67-H315 VanDerWaalsContact OE2-CD2 3.27Å; E67-H315 IonicContact OE2-NE2 2.77Å; T312-H315 PolarHBondContact N-ND1 2.85Å; T312-H315 PolarHBondContact O-N 3.29Å; T312-H315 PolarHBondContact OG1-CE1 2.99Å; T312-H315 VanDerWaalsContact OG1-CE1 3.27Å; T312-H315 PolarHBondContact OG1-ND1 3.29Å
316	F	80.2	Confident	63.4	Low	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164	173.1	74.8	-72.3	0	0	0	111.3	E50 W52 L85 H89 S268 R318	E50-F316 HydrophobicContact CB-CD1 3.96Å; E50-F316 HydrophobicContact CB-CE1 3.26Å; E50-F316 HydrophobicContact CB-CE2 4.3Å; E50-F316 HydrophobicContact CB-CZ 3.46Å; E50-F316 VanDerWaalsContact CB-CZ 3.46Å; E50-F316 HydrophobicContact CG-CE1 4.44Å; E50-F316 HydrophobicContact CG-CZ 4.25Å; E50-F316 PolarHBondContact N-O 3.35Å; E50-F316 WeakPolarHBondContact O-CD1 3.48Å; E50-F316 PolarHBondContact O-N 2.83Å; E50-F316 WeakPolarHBondContact OE2-CZ 3.41Å; W52-F316 AromaticContact CD1-CD1 4Å; W52-F316 AromaticContact CD1-CE1 3.64Å; W52-F316 AromaticContact CE2-CD1 3.5Å; W52-F316 AromaticContact CE2-CE1 3.84Å; W52-F316 HydrophobicContact CZ2-CB 4.01Å; W52-F316 AromaticContact CZ2-CD1 3.59Å; W52-F316 HydrophobicContact CZ2-CD1 3.59Å; W52-F316 HydrophobicContact CZ2-CE1 4.29Å; W52-F316 AromaticContact CZ2-CG 3.88Å; W52-F316 HydrophobicContact CZ2-CG 3.88Å; W52-F316 AromaticContact NE1-CD1 3.15Å; W52-F316 AromaticContact NE1-CE1 2.98Å; W52-F316 AromaticContact NE1-CZ 3.87Å; L85-F316 HydrophobicContact CD1-CB 3.62Å; L85-F316 HydrophobicContact CD1-CD2 3.98Å; L85-F316 HydrophobicContact CD1-CG 3.9Å; H89-F316 AromaticContact CE1-CE2 3.61Å; H89-F316 AromaticContact CE1-CZ 3.3Å; H89-F316 WeakPolarHBondContact CE1-CZ 3.48Å; H89-F316 AromaticContact ND1-CE1 3.89Å; H89-F316 AromaticContact ND1-CE2 3.44Å; H89-F316 WeakPolarHBondContact ND1-CE2 3.42Å; H89-F316 AromaticContact ND1-CZ 3.32Å; H89-F316 VanDerWaalsContact ND1-CZ 3.32Å; H89-F316 WeakPolarHBondContact ND1-CZ 3.3Å; S268-F316 WeakPolarHBondContact OG-CE2 3.44Å; F316-R318 HydrophobicContact CE2-CB 3.92Å; F316-R318 HydrophobicContact CE2-CG 4.48Å
317	L	78.6	Confident	64.7	Low	7 Å²	7	69.8 Å²	69.8	4%	0.037	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.2	177.3	-175.3	77.2	0	0	0	109	A47 W49 L72 V269 L303 L319	A47-L317 HydrophobicContact CB-CD1 3.7Å; A47-L317 HydrophobicContact CB-CG 4.13Å; W49-L317 HydrophobicContact CE3-CB 4.29Å; W49-L317 HydrophobicContact CE3-CD1 4.02Å; W49-L317 HydrophobicContact CZ3-CB 4.39Å; L72-L317 HydrophobicContact CD1-CD1 3.86Å; L72-L317 HydrophobicContact CD1-CD2 3.58Å; L72-L317 HydrophobicContact CD1-CG 4.29Å; V269-L317 HydrophobicContact CG2-CB 4.19Å; V269-L317 HydrophobicContact CG2-CD2 4.26Å; V269-L317 PolarHBondContact N-O 3.33Å; V269-L317 PolarHBondContact O-N 3.01Å; V269-L317 VanDerWaalsContact O-O 3.13Å; L303-L317 HydrophobicContact CD1-CD2 3.69Å; L317-L319 HydrophobicContact CD2-CD2 3.7Å; L317-L319 HydrophobicContact CD2-CG 4.33Å; L317-L319 HydrophobicContact CG-CD2 4.23Å
318	R	84.5	Confident	65.8	Low	79 Å²	79	63.3 Å²	63.3	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.6	173.1	-167.8	178	-171.6	159.3	2.5	109.3	A47 T48 E50 F316 H320	A47-R318 CarbonylContact C-O 3.29Å; A47-R318 WeakPolarHBondContact CA-O 3.43Å; T48-R318 PolarHBondContact N-O 2.81Å; T48-R318 PolarHBondContact O-N 2.92Å; E50-R318 WeakPolarHBondContact OE1-CD 3.39Å; E50-R318 IonicContact OE1-NH1 3.75Å; E50-R318 IonicContact OE2-NH1 3.87Å; E50-R318 PolarHBondContact OE2-NH1 2.8Å; F316-R318 HydrophobicContact CE2-CB 3.92Å; F316-R318 HydrophobicContact CE2-CG 4.48Å; R318-H320 PolarHBondContact O-CD2 3.01Å
319	L	80.1	Confident	66.9	Low	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.4	175.4	-59.5	168.4	0	0	0	108.2	A45 A47 L256 L260 L265 P266 L267 V269 L317	A45-L319 HydrophobicContact CB-CD2 4.09Å; A47-L319 HydrophobicContact CB-CD2 4.18Å; L256-L319 HydrophobicContact CD1-CD1 3.87Å; L260-L319 HydrophobicContact CD2-CD1 4.08Å; L265-L319 HydrophobicContact CD1-CB 4.34Å; L265-L319 HydrophobicContact CD2-CB 3.69Å; L265-L319 HydrophobicContact CD2-CD1 4.46Å; P266-L319 CarbonylContact C-O 3.53Å; P266-L319 WeakPolarHBondContact CA-O 3.43Å; L267-L319 PolarHBondContact N-O 3.02Å; L267-L319 PolarHBondContact O-N 3.45Å; V269-L319 HydrophobicContact CG1-CD1 4.29Å; V269-L319 HydrophobicContact CG2-CD1 3.92Å; V269-L319 HydrophobicContact CG2-CG 4.25Å; L317-L319 HydrophobicContact CD2-CD2 3.7Å; L317-L319 HydrophobicContact CD2-CG 4.33Å; L317-L319 HydrophobicContact CG-CD2 4.23Å
320	H	81.1	Confident	67.5	Low	68 Å²	68	55.1 Å²	55.1	32%	0.315	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-48.2	-173.8	-71.7	-80.8	0	0	0	114	S46 T48 L265 R318	S46-H320 PolarHBondContact O-N 3.19Å; T48-H320 PolarHBondContact OG1-NE2 3.18Å; L265-H320 WeakPolarHBondContact CB-O 3.5Å; R318-H320 PolarHBondContact O-CD2 3.01Å
321	S	73.1	Confident	67.9	Low	34 Å²	34	51.7 Å²	51.7	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.9	-175.9	66.9	0	0	0	0	111.6	A45 S46 Y323	A45-S321 CarbonylContact C-O 3.49Å; A45-S321 WeakPolarHBondContact CA-O 3.17Å; S46-S321 WeakPolarHBondContact CB-OG 3.31Å; S46-S321 PolarHBondContact N-O 3.07Å; S321-Y323 VanDerWaalsContact OG-CE2 3.26Å; S321-Y323 WeakPolarHBondContact OG-CE2 3.37Å; S321-Y323 PolarHBondContact OG-OH 2.93Å
322	L	73.7	Confident	68.2	Low	51 Å²	51	49.8 Å²	49.8	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.1	-174.4	-158.7	66.8	0	0	0	111	T43 A45 L260 L265	T43-L322 HydrophobicContact CG2-CD1 3.28Å; T43-L322 HydrophobicContact CG2-CD2 4.01Å; T43-L322 HydrophobicContact CG2-CG 3.61Å; A45-L322 HydrophobicContact CB-CD1 4.02Å; L260-L322 HydrophobicContact CB-CD1 4.43Å; L260-L322 HydrophobicContact CB-CD2 4.19Å; L260-L322 HydrophobicContact CD1-CD1 3.79Å; L260-L322 HydrophobicContact CD2-CD1 3.75Å; L260-L322 HydrophobicContact CG-CD1 4.19Å; L265-L322 HydrophobicContact CD1-CB 4Å
323	Y	64.2	Low	68.1	Low	117 Å²	117	49.4 Å²	49.4	46%	0.459	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.2	173.8	-52	-83.4	0	0	0	108.4	T43 L44 S321	T43-Y323 CarbonylContact C-O 3.58Å; T43-Y323 WeakPolarHBondContact CA-O 3.27Å; L44-Y323 PolarHBondContact N-O 2.9Å; L44-Y323 PolarHBondContact O-N 3.46Å; S321-Y323 VanDerWaalsContact OG-CE2 3.26Å; S321-Y323 WeakPolarHBondContact OG-CE2 3.37Å; S321-Y323 PolarHBondContact OG-OH 2.93Å
324	R	61.5	Low	67.9	Low	172 Å²	172	46 Å²	46	65%	0.649	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.3	176.2	-61.9	-176.3	-178.3	163.8	2.4	109.6	T43 L260	T43-R324 HydrophobicContact CG2-CG 4.06Å; L260-R324 PolarHBondContact O-NH2 3.07Å
325	G	59.3	Low	67.4	Low	24 Å²	24	40.4 Å²	40.4	25%	0.247	20%	0.204	C	C	.	.	S	Bend	trans	141.9	174	179.5	0	0	0	0	0	112.5	S42 I327	S42-G325 CarbonylContact C-O 3.55Å; S42-G325 PolarHBondContact O-N 3.13Å; S42-G325 PolarHBondContact OG-O 3Å; G325-I327 PolarHBondContact O-N 3Å
326	D	57	Low	66.5	Low	90 Å²	90	41.5 Å²	41.5	48%	0.481	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-71	125.8	-171.3	-42.2	-41	0	0	0	111.3	V39 P40 D41 P344	V39-D326 WeakPolarHBondContact O-CA 3.5Å; P40-D326 VanDerWaalsContact CA-OD1 3.24Å; P40-D326 WeakPolarHBondContact CA-OD1 3.23Å; D41-D326 PolarHBondContact N-OD1 2.69Å; D326-P344 WeakPolarHBondContact O-CD 3.43Å; D326-P344 WeakPolarHBondContact O-CG 3.38Å
327	I	58.4	Low	65.3	Low	3 Å²	3	47 Å²	47	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.9	179.1	-67.8	163.8	0	0	0	109.2	V39 S42 L44 I73 G325 L341	V39-I327 PolarHBondContact N-O 2.95Å; V39-I327 PolarHBondContact O-N 3.22Å; V39-I327 VanDerWaalsContact O-N 3.08Å; S42-I327 WeakPolarHBondContact OG-CB 3.48Å; S42-I327 WeakPolarHBondContact OG-CD1 3.32Å; S42-I327 WeakPolarHBondContact OG-CG1 3.26Å; S42-I327 PolarHBondContact OG-N 3.32Å; S42-I327 VanDerWaalsContact OG-N 3.15Å; L44-I327 HydrophobicContact CB-CD1 3.85Å; L44-I327 HydrophobicContact CD1-CD1 4.16Å; I73-I327 HydrophobicContact CG2-CD1 3.71Å; G325-I327 PolarHBondContact O-N 3Å; I327-L341 HydrophobicContact CG2-CB 4.39Å
328	L	59	Low	64	Low	32 Å²	32	53.6 Å²	53.6	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.5	175.4	-68.2	165.1	0	0	0	109.7	L36 Y37 P38 I342 L347	L36-L328 HydrophobicContact CD2-CB 3.79Å; L36-L328 HydrophobicContact CD2-CD1 3.99Å; L36-L328 HydrophobicContact CD2-CD2 3.93Å; L36-L328 HydrophobicContact CD2-CG 4.12Å; Y37-L328 WeakPolarHBondContact O-CA 3.29Å; P38-L328 HydrophobicContact CB-CD2 3.81Å; L328-I342 HydrophobicContact CB-CB 4.23Å; L328-I342 PolarHBondContact N-O 3.04Å; L328-I342 PolarHBondContact O-N 3.25Å; L328-L347 HydrophobicContact CD1-CD1 3.94Å; L328-L347 HydrophobicContact CD1-CD2 4.08Å; L328-L347 HydrophobicContact CD1-CG 4.44Å
329	I	60.8	Low	62.7	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.7	174.7	-51.1	179.7	0	0	0	109.1	Y37 V39 L339 F340 L341 F376	Y37-I329 PolarHBondContact N-O 2.66Å; Y37-I329 PolarHBondContact O-N 3.42Å; V39-I329 HydrophobicContact CG2-CD1 3.88Å; V39-I329 HydrophobicContact CG2-CG1 4.33Å; I329-L339 HydrophobicContact CG2-CB 4.4Å; I329-L339 HydrophobicContact CG2-CD1 4.45Å; I329-L339 HydrophobicContact CG2-CD2 4.4Å; I329-F340 WeakPolarHBondContact CA-O 3.48Å; I329-L341 HydrophobicContact CB-CD2 4.49Å; I329-L341 HydrophobicContact CG1-CD2 3.95Å; I329-L341 HydrophobicContact CG2-CD2 4.3Å; I329-F376 HydrophobicContact CD1-CD1 4.38Å; I329-F376 HydrophobicContact CD1-CE1 3.98Å
330	I	60.7	Low	61.7	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.1	-171.7	-53.1	179.6	0	0	0	110.2	L28 M35 L36 L339 F340 I342	L28-I330 HydrophobicContact CD1-CD1 3.9Å; L28-I330 HydrophobicContact CD1-CG2 3.97Å; L28-I330 HydrophobicContact CD2-CG2 4.38Å; M35-I330 VanDerWaalsContact O-CA 3.32Å; M35-I330 WeakPolarHBondContact O-CA 3.41Å; M35-I330 WeakPolarHBondContact O-CG2 3.33Å; L36-I330 HydrophobicContact CD2-CD1 3.45Å; L36-I330 VanDerWaalsContact CD2-CD1 3.45Å; L36-I330 HydrophobicContact CD2-CG1 3.53Å; L36-I330 HydrophobicContact CG-CD1 4.04Å; L36-I330 HydrophobicContact CG-CG1 3.97Å; I330-L339 CarbonylContact O-C 3.58Å; I330-L339 WeakPolarHBondContact O-CA 3.24Å; I330-F340 PolarHBondContact N-O 3.32Å; I330-F340 PolarHBondContact O-N 3.33Å; I330-I342 HydrophobicContact CD1-CB 4.49Å; I330-I342 HydrophobicContact CD1-CD1 3.39Å; I330-I342 HydrophobicContact CD1-CG1 3.75Å
331	A	61.7	Low	60.7	Low	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.			trans	-120.5	153.7	159.1	0	0	0	0	0	112.1	S33 L34 P336 R338 H369	S33-A331 CarbonylContact C-O 3.53Å; S33-A331 VanDerWaalsContact CA-O 3.23Å; S33-A331 WeakPolarHBondContact CA-O 3.24Å; S33-A331 WeakPolarHBondContact CB-O 3.26Å; L34-A331 HydrophobicContact CD1-CB 4.37Å; L34-A331 PolarHBondContact N-O 3.13Å; A331-P336 WeakPolarHBondContact CB-O 3.34Å; A331-R338 WeakPolarHBondContact CA-O 3.45Å; A331-H369 WeakPolarHBondContact CB-CE1 3.42Å; A331-H369 WeakPolarHBondContact CB-ND1 3.19Å
332	P	62.1	Low	60.1	Low	3 Å²	3	52.6 Å²	52.6	2%	0.019	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-77.1	147.7	170.3	34.4	-33.9	0	0	0	111.2	L28 D32 S334 S335 R338 F340	L28-P332 HydrophobicContact CD2-CB 4.42Å; D32-P332 CarbonylContact O-C 3.52Å; D32-P332 VanDerWaalsContact O-CA 3.3Å; D32-P332 WeakPolarHBondContact O-CA 3.46Å; P332-S334 PolarHBondContact O-N 3.45Å; P332-S335 WeakPolarHBondContact CD-O 3.48Å; P332-S335 WeakPolarHBondContact CG-O 3.44Å; P332-S335 CarbonylContact O-C 3.25Å; P332-S335 VanDerWaalsContact O-C 3.25Å; P332-S335 PolarHBondContact O-N 3.5Å; P332-S335 VanDerWaalsContact O-N 3.17Å; P332-R338 WeakPolarHBondContact CD-O 3.41Å; P332-R338 HydrophobicContact CG-CB 4.46Å; P332-F340 HydrophobicContact CB-CE2 4.06Å; P332-F340 HydrophobicContact CG-CE2 3.65Å; P332-F340 HydrophobicContact CG-CZ 4.1Å
333	V	60.1	Low	59.4	Low	54 Å²	54	50.7 Å²	50.7	33%	0.327	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.2	176.9	178	0	0	0	0	111.8	D32 L34 S335 Y362	D32-V333 HydrophobicContact CB-CB 4.19Å; D32-V333 HydrophobicContact CB-CG2 3.69Å; D32-V333 PolarHBondContact O-N 3.22Å; L34-V333 HydrophobicContact CD2-CB 4.49Å; L34-V333 HydrophobicContact CD2-CG2 3.9Å; L34-V333 HydrophobicContact CG-CB 4.41Å; L34-V333 HydrophobicContact CG-CG2 3.87Å; V333-S335 PolarHBondContact O-N 3.04Å; V333-Y362 HydrophobicContact CG2-CD2 3.9Å; V333-Y362 HydrophobicContact CG2-CE2 3.55Å
334	S	61.8	Low	59	Low	83 Å²	83	47.8 Å²	47.8	58%	0.58	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.7	179.3	52.1	0	0	0	0	114.9	Y31 P332	Y31-S334 WeakPolarHBondContact CD1-OG 3.12Å; P332-S334 PolarHBondContact O-N 3.45Å
335	S	60.8	Low	58.7	Low	14 Å²	14	41.7 Å²	41.7	10%	0.098	23%	0.23	C	C	.	.			trans	-166.1	69	-173.7	-179.7	0	0	0	0	109.3	P332 V333 E337 R338	P332-S335 WeakPolarHBondContact CD-O 3.48Å; P332-S335 WeakPolarHBondContact CG-O 3.44Å; P332-S335 CarbonylContact O-C 3.25Å; P332-S335 VanDerWaalsContact O-C 3.25Å; P332-S335 PolarHBondContact O-N 3.5Å; P332-S335 VanDerWaalsContact O-N 3.17Å; V333-S335 PolarHBondContact O-N 3.04Å; S335-E337 VanDerWaalsContact C-OE2 3.23Å; S335-E337 WeakPolarHBondContact CB-OE1 3.25Å; S335-E337 PolarHBondContact O-N 3.46Å; S335-E337 VanDerWaalsContact O-N 3.08Å; S335-E337 PolarHBondContact OG-OE1 3.25Å; S335-R338 PolarHBondContact O-N 3.14Å; S335-R338 WeakPolarHBondContact OG-CD 3.5Å; S335-R338 WeakPolarHBondContact OG-CG 3.14Å
336	P	58.3	Low	58.6	Low	39 Å²	39	42.7 Å²	42.7	25%	0.253	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.3	-172.9	21	-34	0	0	0	114.9	L34 A331 R338 H369	L34-P336 HydrophobicContact CD1-CB 3.61Å; A331-P336 WeakPolarHBondContact CB-O 3.34Å; P336-R338 VanDerWaalsContact C-N 3.32Å; P336-H369 PolarHBondContact O-ND1 2.78Å; P336-H369 VanDerWaalsContact O-ND1 3.08Å
337	E	54.1	Low	58.6	Low	116 Å²	116	41.1 Å²	41.1	54%	0.542	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-16.5	176.8	69.8	-70.3	163.6	0	0	114	S335 L339	S335-E337 VanDerWaalsContact C-OE2 3.23Å; S335-E337 WeakPolarHBondContact CB-OE1 3.25Å; S335-E337 PolarHBondContact O-N 3.46Å; S335-E337 VanDerWaalsContact O-N 3.08Å; S335-E337 PolarHBondContact OG-OE1 3.25Å; E337-L339 PolarHBondContact O-N 3.35Å
338	R	51.7	Low	58.4	Low	144 Å²	144	51 Å²	51	54%	0.543	26%	0.257	S	S	.	.			trans	-91.6	95.7	-178.8	-72.2	179.2	75.6	-166.8	2.1	111.9	A331 P332 S335 P336	A331-R338 WeakPolarHBondContact CA-O 3.45Å; P332-R338 WeakPolarHBondContact CD-O 3.41Å; P332-R338 HydrophobicContact CG-CB 4.46Å; S335-R338 PolarHBondContact O-N 3.14Å; S335-R338 WeakPolarHBondContact OG-CD 3.5Å; S335-R338 WeakPolarHBondContact OG-CG 3.14Å; P336-R338 VanDerWaalsContact C-N 3.32Å
339	L	58.2	Low	58.3	Low	64 Å²	64	53.7 Å²	53.7	34%	0.335	27%	0.272	S	S	.	.			trans	-69.8	131.3	172.3	-52.2	-173.2	0	0	0	111.8	I329 I330 E337 H369	I329-L339 HydrophobicContact CG2-CB 4.4Å; I329-L339 HydrophobicContact CG2-CD1 4.45Å; I329-L339 HydrophobicContact CG2-CD2 4.4Å; I330-L339 CarbonylContact O-C 3.58Å; I330-L339 WeakPolarHBondContact O-CA 3.24Å; E337-L339 PolarHBondContact O-N 3.35Å; L339-H369 WeakPolarHBondContact CD2-CE1 3.42Å
340	F	58.3	Low	58.2	Low	34 Å²	34	55.1 Å²	55.1	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.5	171.1	-60.1	-42	0	0	0	110.3	A27 L28 I329 I330 P332	A27-F340 HydrophobicContact CB-CD1 3.97Å; A27-F340 HydrophobicContact CB-CD2 4.35Å; A27-F340 HydrophobicContact CB-CE1 3.43Å; A27-F340 VanDerWaalsContact CB-CE1 3.43Å; A27-F340 HydrophobicContact CB-CE2 3.85Å; A27-F340 HydrophobicContact CB-CG 4.41Å; A27-F340 HydrophobicContact CB-CZ 3.37Å; L28-F340 HydrophobicContact CD2-CD2 3.65Å; L28-F340 HydrophobicContact CD2-CE2 3.81Å; L28-F340 HydrophobicContact CG-CD2 3.84Å; L28-F340 HydrophobicContact CG-CE2 4.24Å; I329-F340 WeakPolarHBondContact CA-O 3.48Å; I330-F340 PolarHBondContact N-O 3.32Å; I330-F340 PolarHBondContact O-N 3.33Å; P332-F340 HydrophobicContact CB-CE2 4.06Å; P332-F340 HydrophobicContact CG-CE2 3.65Å; P332-F340 HydrophobicContact CG-CZ 4.1Å
341	L	60.9	Low	57.9	Low	59 Å²	59	58.3 Å²	58.3	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.7	-173	-54.1	176	0	0	0	109.6	I73 I327 I329	I73-L341 HydrophobicContact CD1-CD1 3.6Å; I73-L341 HydrophobicContact CD1-CD2 3.54Å; I73-L341 HydrophobicContact CD1-CG 4.18Å; I73-L341 HydrophobicContact CG1-CD1 3.6Å; I73-L341 HydrophobicContact CG1-CD2 4.45Å; I327-L341 HydrophobicContact CG2-CB 4.39Å; I329-L341 HydrophobicContact CB-CD2 4.49Å; I329-L341 HydrophobicContact CG1-CD2 3.95Å; I329-L341 HydrophobicContact CG2-CD2 4.3Å
342	I	60.5	Low	57.6	Low	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.8	179.7	-57.9	-157.6	0	0	0	109.9	L28 L328 I330 M346 L347 F352	L28-I342 HydrophobicContact CD1-CD1 3.96Å; L328-I342 HydrophobicContact CB-CB 4.23Å; L328-I342 PolarHBondContact N-O 3.04Å; L328-I342 PolarHBondContact O-N 3.25Å; I330-I342 HydrophobicContact CD1-CB 4.49Å; I330-I342 HydrophobicContact CD1-CD1 3.39Å; I330-I342 HydrophobicContact CD1-CG1 3.75Å; I342-M346 HydrophobicContact CB-CE 4.42Å; I342-M346 HydrophobicContact CG1-CE 4.05Å; I342-M346 HydrophobicContact CG2-CB 3.85Å; I342-M346 HydrophobicContact CG2-CE 4.48Å; I342-L347 HydrophobicContact CG2-CD2 3.75Å; I342-L347 HydrophobicContact CG2-CG 4.07Å; I342-F352 HydrophobicContact CD1-CE1 3.67Å; I342-F352 HydrophobicContact CD1-CE2 4.35Å; I342-F352 HydrophobicContact CD1-CZ 3.51Å; I342-F352 HydrophobicContact CG2-CE2 4.42Å; I342-F352 HydrophobicContact CG2-CZ 4.4Å
343	T	57.7	Low	57.1	Low	11 Å²	11	64.4 Å²	64.4	7%	0.067	33%	0.329	C	S	.	.			trans	-91.2	162.7	175.4	60	0	0	0	0	112	L44 S345 M346 L347	L44-T343 HydrophobicContact CD2-CG2 3.52Å; T343-S345 PolarHBondContact O-N 2.99Å; T343-S345 VanDerWaalsContact O-N 3.13Å; T343-S345 PolarHBondContact OG1-OG 2.57Å; T343-M346 WeakPolarHBondContact O-CB 3.36Å; T343-M346 PolarHBondContact O-N 3.48Å; T343-M346 WeakPolarHBondContact OG1-CG 3.35Å; T343-M346 PolarHBondContact OG1-N 2.91Å; T343-M346 VanDerWaalsContact OG1-N 3.16Å; T343-L347 PolarHBondContact O-N 3.33Å; T343-L347 VanDerWaalsContact O-N 3.1Å
344	P	55.9	Low	56.6	Low	55 Å²	55	63.6 Å²	63.6	36%	0.357	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.3	172.1	-22.7	35.7	0	0	0	114.2	D326 R348	D326-P344 WeakPolarHBondContact O-CD 3.43Å; D326-P344 WeakPolarHBondContact O-CG 3.38Å; P344-R348 PolarHBondContact O-NE 3.2Å
345	S	55.8	Low	55.9	Low	44 Å²	44	60.5 Å²	60.5	31%	0.308	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-45	166.8	43.4	0	0	0	0	111.7	T343 L347 R348 D349	T343-S345 PolarHBondContact O-N 2.99Å; T343-S345 VanDerWaalsContact O-N 3.13Å; T343-S345 PolarHBondContact OG1-OG 2.57Å; S345-L347 PolarHBondContact O-N 2.97Å; S345-R348 WeakPolarHBondContact O-CB 3.41Å; S345-R348 PolarHBondContact O-N 3.23Å; S345-D349 PolarHBondContact O-N 3.01Å
346	M	57.9	Low	55.4	Low	45 Å²	45	67.4 Å²	67.4	22%	0.222	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-28.2	175.6	-72	167.9	61.2	0	0	112.9	I342 T343 R348 D349 H350	I342-M346 HydrophobicContact CB-CE 4.42Å; I342-M346 HydrophobicContact CG1-CE 4.05Å; I342-M346 HydrophobicContact CG2-CB 3.85Å; I342-M346 HydrophobicContact CG2-CE 4.48Å; T343-M346 WeakPolarHBondContact O-CB 3.36Å; T343-M346 PolarHBondContact O-N 3.48Å; T343-M346 WeakPolarHBondContact OG1-CG 3.35Å; T343-M346 PolarHBondContact OG1-N 2.91Å; T343-M346 VanDerWaalsContact OG1-N 3.16Å; M346-R348 VanDerWaalsContact C-N 3.31Å; M346-D349 PolarHBondContact O-N 2.96Å; M346-H350 PolarHBondContact O-N 3.42Å; M346-H350 PolarHBondContact O-ND1 3.18Å
347	L	55.9	Low	55	Low	57 Å²	57	67 Å²	67	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-23.9	171.3	-64.9	-178.2	0	0	0	114.3	L328 I342 T343 S345 F352	L328-L347 HydrophobicContact CD1-CD1 3.94Å; L328-L347 HydrophobicContact CD1-CD2 4.08Å; L328-L347 HydrophobicContact CD1-CG 4.44Å; I342-L347 HydrophobicContact CG2-CD2 3.75Å; I342-L347 HydrophobicContact CG2-CG 4.07Å; T343-L347 PolarHBondContact O-N 3.33Å; T343-L347 VanDerWaalsContact O-N 3.1Å; S345-L347 PolarHBondContact O-N 2.97Å; L347-F352 HydrophobicContact CD2-CD2 3.7Å; L347-F352 HydrophobicContact CD2-CE2 3.75Å
348	R	54	Low	55.1	Low	211 Å²	211	70.2 Å²	70.2	80%	0.796	34%	0.341	S	S	*	.	H	α-helix	trans	-81.5	-35.8	174.5	-74.5	-177.7	-88.4	171.2	-8.4	111.9	P344 S345 M346	P344-R348 PolarHBondContact O-NE 3.2Å; S345-R348 WeakPolarHBondContact O-CB 3.41Å; S345-R348 PolarHBondContact O-N 3.23Å; M346-R348 VanDerWaalsContact C-N 3.31Å
349	D	57.6	Low	55.5	Low	88 Å²	88	67 Å²	67	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-78.4	-16.3	-179.7	-91.1	-68.2	0	0	0	114.6	R21 S345 M346	R21-D349 WeakPolarHBondContact CD-O 3.22Å; R21-D349 IonicContact CZ-OD1 2.72Å; R21-D349 PolarHBondContact NH1-O 3.5Å; R21-D349 IonicContact NH1-OD1 2.96Å; R21-D349 PolarHBondContact NH1-OD1 3.03Å; R21-D349 IonicContact NH2-OD1 2.68Å; S345-D349 PolarHBondContact O-N 3.01Å; M346-D349 PolarHBondContact O-N 2.96Å
350	H	58.1	Low	55.6	Low	32 Å²	32	68.9 Å²	68.9	15%	0.148	35%	0.351	C	S	.	.	S	Bend	trans	-136.3	129	-172.4	-51.4	93.2	0	0	0	112.3	C19 C24 M346 F352	C19-H350 PolarHBondContact SG-CD2 3.04Å; C24-H350 VanDerWaalsContact SG-CD2 3.53Å; M346-H350 PolarHBondContact O-N 3.42Å; M346-H350 PolarHBondContact O-ND1 3.18Å; H350-F352 HydrophobicContact CB-CD2 4.24Å; H350-F352 HydrophobicContact CB-CE2 3.58Å; H350-F352 HydrophobicContact CB-CZ 3.74Å; H350-F352 VanDerWaalsContact O-CD2 3.22Å; H350-F352 WeakPolarHBondContact O-CD2 3.42Å; H350-F352 PolarHBondContact O-N 2.83Å
351	S	55.4	Low	55.8	Low	68 Å²	68	71.8 Å²	71.8	48%	0.476	37%	0.372	S	S	.	.			trans	-74.6	102.3	170	37.9	0	0	0	0	110.4	K20	K20-S351 WeakPolarHBondContact CB-O 3.35Å; K20-S351 WeakPolarHBondContact CB-OG 3.2Å; K20-S351 PolarHBondContact N-O 3.4Å
352	F	55.2	Low	55.6	Low	29 Å²	29	69.5 Å²	69.5	13%	0.127	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114	170.1	-63.2	-80.4	0	0	0	109.9	A17 I342 L347 H350	A17-F352 HydrophobicContact CB-CD1 4.35Å; I342-F352 HydrophobicContact CD1-CE1 3.67Å; I342-F352 HydrophobicContact CD1-CE2 4.35Å; I342-F352 HydrophobicContact CD1-CZ 3.51Å; I342-F352 HydrophobicContact CG2-CE2 4.42Å; I342-F352 HydrophobicContact CG2-CZ 4.4Å; L347-F352 HydrophobicContact CD2-CD2 3.7Å; L347-F352 HydrophobicContact CD2-CE2 3.75Å; H350-F352 HydrophobicContact CB-CD2 4.24Å; H350-F352 HydrophobicContact CB-CE2 3.58Å; H350-F352 HydrophobicContact CB-CZ 3.74Å; H350-F352 VanDerWaalsContact O-CD2 3.22Å; H350-F352 WeakPolarHBondContact O-CD2 3.42Å; H350-F352 PolarHBondContact O-N 2.83Å
353	Q	51	Low	55.6	Low	102 Å²	102	71.7 Å²	71.7	48%	0.477	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.8	164.8	177.5	172.2	-0.7	0	0	109.2	K16 A17	K16-Q353 VanDerWaalsContact O-O 3.09Å; A17-Q353 WeakPolarHBondContact CA-O 3.41Å
354	T	49.3	Very low	55.8	Low	37 Å²	37	76.7 Å²	76.7	23%	0.227	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.2	168.9	51.4	0	0	0	0	110.2	F4 I15	F4-T354 HydrophobicContact CD2-CG2 4.23Å; F4-T354 HydrophobicContact CE2-CG2 3.46Å; F4-T354 VanDerWaalsContact CE2-CG2 3.46Å; F4-T354 HydrophobicContact CZ-CG2 4.22Å; I15-T354 HydrophobicContact CD1-CG2 4.38Å; I15-T354 HydrophobicContact CG2-CG2 3.76Å
355	G	46.5	Very low	56	Low	17 Å²	17	75.7 Å²	75.7	18%	0.175	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	174.1	0	0	0	0	0	112.3	I15 K16	I15-G355 WeakPolarHBondContact CA-O 3.49Å; K16-G355 PolarHBondContact N-O 2.86Å; K16-G355 PolarHBondContact O-N 3.28Å
356	Y	51.8	Low	56	Low	160 Å²	160	74.2 Å²	74.2	63%	0.627	39%	0.386	S	S	*	.			trans	-78.2	142	170.5	-54.6	-76.8	0	0	0	109.8	E3	E3-Y356 PolarHBondContact OE1-OH 3.05Å
357	T	49.4	Very low	56	Low	30 Å²	30	76 Å²	76	18%	0.184	39%	0.394	C	S	.	.			trans	-128.8	136.1	168.2	89.3	0	0	0	0	109.7	L14 K16 Y362	L14-T357 VanDerWaalsContact CD2-OG1 3.28Å; L14-T357 WeakPolarHBondContact CD2-OG1 3.39Å; K16-T357 HydrophobicContact CB-CG2 3.81Å; K16-T357 HydrophobicContact CD-CG2 4.31Å; T357-Y362 HydrophobicContact CG2-CD2 4.19Å; T357-Y362 HydrophobicContact CG2-CE1 4.27Å; T357-Y362 HydrophobicContact CG2-CE2 3.72Å; T357-Y362 WeakPolarHBondContact OG1-CD1 3.38Å; T357-Y362 VanDerWaalsContact OG1-CE1 3.26Å; T357-Y362 WeakPolarHBondContact OG1-CE1 3.21Å
358	H	56.7	Low	56.1	Low	183 Å²	183	77.2 Å²	77.2	85%	0.847	40%	0.401	S	S	*	.			trans	-117	20.5	179.9	-60.7	-72.7	0	0	0	111.2
359	D	58.6	Low	56.2	Low	77 Å²	77	67.2 Å²	67.2	41%	0.412	36%	0.363	S	S	.	.			trans	-84.1	121.9	-176.4	175.2	0.1	0	0	0	110.4	T361 Y362 A363	D359-T361 PolarHBondContact O-N 3.29Å; D359-T361 WeakPolarHBondContact OD1-CA 3.22Å; D359-T361 WeakPolarHBondContact OD1-CB 3.16Å; D359-T361 PolarHBondContact OD1-N 3.26Å; D359-T361 PolarHBondContact OD1-OG1 3.1Å; D359-Y362 WeakPolarHBondContact O-CB 3.46Å; D359-Y362 PolarHBondContact O-N 2.85Å; D359-A363 PolarHBondContact O-N 2.91Å
360	P	61.8	Low	55.9	Low	104 Å²	104	66.9 Å²	66.9	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-27	178.4	27.4	-35.2	0	0	0	113.1	A363 L364	P360-A363 WeakPolarHBondContact O-CB 3.41Å; P360-A363 PolarHBondContact O-N 2.89Å; P360-L364 PolarHBondContact O-N 2.87Å
361	T	61.1	Low	55.6	Low	95 Å²	95	68.6 Å²	68.6	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-66.2	-44.3	174.8	-31.2	0	0	0	0	110.4	D359 A363 L364 S365	D359-T361 PolarHBondContact O-N 3.29Å; D359-T361 WeakPolarHBondContact OD1-CA 3.22Å; D359-T361 WeakPolarHBondContact OD1-CB 3.16Å; D359-T361 PolarHBondContact OD1-N 3.26Å; D359-T361 PolarHBondContact OD1-OG1 3.1Å; T361-A363 VanDerWaalsContact C-N 3.33Å; T361-L364 PolarHBondContact O-N 3.44Å; T361-S365 PolarHBondContact O-N 3.13Å; T361-S365 VanDerWaalsContact O-N 3.1Å; T361-S365 PolarHBondContact O-OG 3.09Å
362	Y	57.7	Low	55.6	Low	11 Å²	11	69.8 Å²	69.8	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-39.3	173.7	-171.2	-72.8	0	0	0	110.8	L14 S33 L34 V333 T357 D359 L364 S365 M366	L14-Y362 HydrophobicContact CD2-CD1 3.92Å; L14-Y362 HydrophobicContact CD2-CE1 3.39Å; L14-Y362 HydrophobicContact CG-CD1 4.3Å; L14-Y362 HydrophobicContact CG-CE1 3.78Å; S33-Y362 PolarHBondContact O-OH 3.42Å; L34-Y362 WeakPolarHBondContact CA-OH 3.49Å; L34-Y362 HydrophobicContact CD2-CD1 4.18Å; L34-Y362 HydrophobicContact CD2-CD2 4Å; L34-Y362 HydrophobicContact CD2-CE1 4.23Å; L34-Y362 HydrophobicContact CD2-CE2 4.07Å; L34-Y362 HydrophobicContact CD2-CG 4.09Å; L34-Y362 PolarHBondContact O-OH 3.47Å; V333-Y362 HydrophobicContact CG2-CD2 3.9Å; V333-Y362 HydrophobicContact CG2-CE2 3.55Å; T357-Y362 HydrophobicContact CG2-CD2 4.19Å; T357-Y362 HydrophobicContact CG2-CE1 4.27Å; T357-Y362 HydrophobicContact CG2-CE2 3.72Å; T357-Y362 WeakPolarHBondContact OG1-CD1 3.38Å; T357-Y362 VanDerWaalsContact OG1-CE1 3.26Å; T357-Y362 WeakPolarHBondContact OG1-CE1 3.21Å; D359-Y362 WeakPolarHBondContact O-CB 3.46Å; D359-Y362 PolarHBondContact O-N 2.85Å; Y362-L364 PolarHBondContact O-N 3.26Å; Y362-S365 PolarHBondContact O-N 3.44Å; Y362-M366 HydrophobicContact CD1-CG 3.6Å; Y362-M366 HydrophobicContact CE1-CG 3.61Å; Y362-M366 HydrophobicContact CE1-SD 4.14Å; Y362-M366 VanDerWaalsContact O-CB 3.28Å; Y362-M366 WeakPolarHBondContact O-CB 3.14Å; Y362-M366 VanDerWaalsContact O-CG 3.26Å; Y362-M366 WeakPolarHBondContact O-CG 3.26Å; Y362-M366 PolarHBondContact O-N 2.97Å
363	A	59.9	Low	55.4	Low	50 Å²	50	68.5 Å²	68.5	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-37.6	175.8	0	0	0	0	0	113.3	D359 P360 T361 M366 E367	D359-A363 PolarHBondContact O-N 2.91Å; P360-A363 WeakPolarHBondContact O-CB 3.41Å; P360-A363 PolarHBondContact O-N 2.89Å; T361-A363 VanDerWaalsContact C-N 3.33Å; A363-M366 WeakPolarHBondContact O-CB 3.22Å; A363-M366 PolarHBondContact O-N 3.29Å; A363-E367 PolarHBondContact O-N 3.38Å
364	L	62.5	Low	55.2	Low	115 Å²	115	65.7 Å²	65.7	60%	0.602	35%	0.349	S	S	*	.	H	α-helix	trans	-69.1	-43.6	174.3	-178.3	61.8	0	0	0	112.2	P360 T361 Y362 M366 E367 N368	P360-L364 PolarHBondContact O-N 2.87Å; T361-L364 PolarHBondContact O-N 3.44Å; Y362-L364 PolarHBondContact O-N 3.26Å; L364-M366 VanDerWaalsContact C-N 3.26Å; L364-M366 PolarHBondContact O-N 3.45Å; L364-E367 PolarHBondContact O-N 3.49Å; L364-N368 PolarHBondContact O-N 3.2Å; L364-N368 VanDerWaalsContact O-N 3.15Å; L364-N368 PolarHBondContact O-ND2 3.4Å; L364-N368 VanDerWaalsContact O-ND2 3.1Å
365	S	59.7	Low	55.2	Low	34 Å²	34	68.4 Å²	68.4	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-36.9	173.1	-67	0	0	0	0	112	T361 Y362 H369	T361-S365 PolarHBondContact O-N 3.13Å; T361-S365 VanDerWaalsContact O-N 3.1Å; T361-S365 PolarHBondContact O-OG 3.09Å; Y362-S365 PolarHBondContact O-N 3.44Å; S365-H369 VanDerWaalsContact O-CB 3.23Å; S365-H369 WeakPolarHBondContact O-CB 3.42Å; S365-H369 PolarHBondContact O-N 2.8Å
366	M	56.5	Low	55.3	Low	13 Å²	13	70.5 Å²	70.5	6%	0.064	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-45.6	173.6	-85.5	-70.7	-65.7	0	0	112.7	T12 L14 L34 M35 Y362 A363 L364 H369 R370	T12-M366 HydrophobicContact CG2-CE 3.65Å; L14-M366 HydrophobicContact CB-CE 4.06Å; L14-M366 HydrophobicContact CD1-CE 4.26Å; L14-M366 HydrophobicContact CD1-CG 4.21Å; L14-M366 HydrophobicContact CG-CE 3.92Å; L14-M366 HydrophobicContact CG-CG 4.19Å; L14-M366 HydrophobicContact CG-SD 4.41Å; L34-M366 HydrophobicContact CB-SD 3.88Å; L34-M366 HydrophobicContact CD2-CG 4.32Å; M35-M366 HydrophobicContact CB-CE 4.03Å; M35-M366 HydrophobicContact CB-SD 3.67Å; M35-M366 HydrophobicContact CG-CE 3.79Å; M35-M366 HydrophobicContact CG-SD 4.12Å; M35-M366 HydrophobicContact SD-CE 4.04Å; Y362-M366 HydrophobicContact CD1-CG 3.6Å; Y362-M366 HydrophobicContact CE1-CG 3.61Å; Y362-M366 HydrophobicContact CE1-SD 4.14Å; Y362-M366 VanDerWaalsContact O-CB 3.28Å; Y362-M366 WeakPolarHBondContact O-CB 3.14Å; Y362-M366 VanDerWaalsContact O-CG 3.26Å; Y362-M366 WeakPolarHBondContact O-CG 3.26Å; Y362-M366 PolarHBondContact O-N 2.97Å; A363-M366 WeakPolarHBondContact O-CB 3.22Å; A363-M366 PolarHBondContact O-N 3.29Å; L364-M366 VanDerWaalsContact C-N 3.26Å; L364-M366 PolarHBondContact O-N 3.45Å; M366-H369 PolarHBondContact O-N 3.45Å; M366-R370 VanDerWaalsContact O-CB 3.23Å; M366-R370 WeakPolarHBondContact O-CB 3.45Å; M366-R370 PolarHBondContact O-N 2.87Å
367	E	57.3	Low	55	Low	82 Å²	82	63.7 Å²	63.7	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-42.3	-179.7	179.6	57.3	-166.5	0	0	111.7	A363 L364 H369 R370 I371	A363-E367 PolarHBondContact O-N 3.38Å; L364-E367 PolarHBondContact O-N 3.49Å; E367-H369 PolarHBondContact O-N 3.37Å; E367-R370 PolarHBondContact O-N 3.35Å; E367-R370 IonicContact OE1-CZ 3.27Å; E367-R370 IonicContact OE1-NE 3.28Å; E367-R370 PolarHBondContact OE1-NE 3.4Å; E367-R370 IonicContact OE1-NH2 3.76Å; E367-R370 PolarHBondContact OE1-NH2 3.14Å; E367-R370 IonicContact OE2-CZ 3.72Å; E367-R370 IonicContact OE2-NE 3.4Å; E367-R370 PolarHBondContact OE2-NE 2.94Å; E367-R370 IonicContact OE2-NH2 2.72Å; E367-I371 HydrophobicContact CG-CD1 4.14Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 2.95Å
368	N	58.4	Low	54.5	Low	84 Å²	84	64.9 Å²	64.9	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-46.7	173.1	-74.6	-47.6	0	0	0	111.9	L364 I371 Q372	L364-N368 PolarHBondContact O-N 3.2Å; L364-N368 VanDerWaalsContact O-N 3.15Å; L364-N368 PolarHBondContact O-ND2 3.4Å; L364-N368 VanDerWaalsContact O-ND2 3.1Å; N368-I371 PolarHBondContact O-N 3.11Å; N368-Q372 WeakPolarHBondContact O-CG 3.2Å; N368-Q372 PolarHBondContact O-N 3.2Å
369	H	55	Low	53.9	Low	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-34.7	177.6	175.9	84.7	0	0	0	112.5	M35 A331 P336 L339 S365 M366 E367 Q372 A373	M35-H369 VanDerWaalsContact CB-CD2 3.42Å; M35-H369 WeakPolarHBondContact CB-CD2 3.35Å; M35-H369 WeakPolarHBondContact CE-CD2 3.3Å; M35-H369 WeakPolarHBondContact CE-NE2 3.4Å; M35-H369 VanDerWaalsContact SD-CD2 3.59Å; A331-H369 WeakPolarHBondContact CB-CE1 3.42Å; A331-H369 WeakPolarHBondContact CB-ND1 3.19Å; P336-H369 PolarHBondContact O-ND1 2.78Å; P336-H369 VanDerWaalsContact O-ND1 3.08Å; L339-H369 WeakPolarHBondContact CD2-CE1 3.42Å; S365-H369 VanDerWaalsContact O-CB 3.23Å; S365-H369 WeakPolarHBondContact O-CB 3.42Å; S365-H369 PolarHBondContact O-N 2.8Å; M366-H369 PolarHBondContact O-N 3.45Å; E367-H369 PolarHBondContact O-N 3.37Å; H369-Q372 PolarHBondContact O-N 2.67Å; H369-A373 WeakPolarHBondContact O-CB 3.14Å; H369-A373 PolarHBondContact O-N 3.25Å
370	R	51.4	Low	53.2	Low	82 Å²	82	60.8 Å²	60.8	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-45.8	172.6	-172.1	-160.4	67.4	74.8	-3.2	110.5	M35 M366 E367 Q372 A373 C374	M35-R370 HydrophobicContact SD-CB 4.22Å; M366-R370 VanDerWaalsContact O-CB 3.23Å; M366-R370 WeakPolarHBondContact O-CB 3.45Å; M366-R370 PolarHBondContact O-N 2.87Å; E367-R370 PolarHBondContact O-N 3.35Å; E367-R370 IonicContact OE1-CZ 3.27Å; E367-R370 IonicContact OE1-NE 3.28Å; E367-R370 PolarHBondContact OE1-NE 3.4Å; E367-R370 IonicContact OE1-NH2 3.76Å; E367-R370 PolarHBondContact OE1-NH2 3.14Å; E367-R370 IonicContact OE2-CZ 3.72Å; E367-R370 IonicContact OE2-NE 3.4Å; E367-R370 PolarHBondContact OE2-NE 2.94Å; E367-R370 IonicContact OE2-NH2 2.72Å; R370-Q372 PolarHBondContact O-N 3.34Å; R370-A373 PolarHBondContact O-N 2.9Å; R370-C374 PolarHBondContact NH1-SG 2.93Å; R370-C374 VanDerWaalsContact NH1-SG 3.45Å; R370-C374 VanDerWaalsContact O-CB 3.22Å; R370-C374 WeakPolarHBondContact O-CB 3.32Å; R370-C374 PolarHBondContact O-N 3.32Å; R370-C374 PolarHBondContact O-SG 3.04Å
371	I	52.1	Low	52.1	Low	67 Å²	67	58.7 Å²	58.7	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-45.1	175.4	-68.9	163.4	0	0	0	110.3	E367 N368 C374 N375	E367-I371 HydrophobicContact CG-CD1 4.14Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 2.95Å; N368-I371 PolarHBondContact O-N 3.11Å; I371-C374 PolarHBondContact O-N 3.17Å; I371-N375 WeakPolarHBondContact O-CB 3.39Å; I371-N375 PolarHBondContact O-N 2.9Å; I371-N375 PolarHBondContact O-ND2 3.38Å; I371-N375 PolarHBondContact O-OD1 3.08Å
372	Q	55	Low	51.2	Low	93 Å²	93	57 Å²	57	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.3	-70.3	173.4	13.6	0	0	112.7	N368 H369 R370 N375 F376	N368-Q372 WeakPolarHBondContact O-CG 3.2Å; N368-Q372 PolarHBondContact O-N 3.2Å; H369-Q372 PolarHBondContact O-N 2.67Å; R370-Q372 PolarHBondContact O-N 3.34Å; Q372-N375 PolarHBondContact O-N 2.8Å; Q372-F376 WeakPolarHBondContact O-CB 3.15Å; Q372-F376 PolarHBondContact O-N 3.19Å
373	A	51.7	Low	49.9	Very low	2 Å²	2	62.1 Å²	62.1	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-41.3	177.8	0	0	0	0	0	112.4	M35 H369 R370 N375 F376 L377	M35-A373 HydrophobicContact CE-CB 3.53Å; H369-A373 WeakPolarHBondContact O-CB 3.14Å; H369-A373 PolarHBondContact O-N 3.25Å; R370-A373 PolarHBondContact O-N 2.9Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.03Å; A373-F376 PolarHBondContact O-N 2.83Å; A373-L377 WeakPolarHBondContact O-CB 3.43Å; A373-L377 WeakPolarHBondContact O-CD1 3.23Å; A373-L377 VanDerWaalsContact O-CG 3.22Å; A373-L377 WeakPolarHBondContact O-CG 3.19Å; A373-L377 PolarHBondContact O-N 2.76Å
374	C	47.4	Very low	48.8	Very low	44 Å²	44	66.2 Å²	66.2	30%	0.297	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-40.5	172.9	-75.4	0	0	0	0	111.3	R370 I371 L377 A378	R370-C374 PolarHBondContact NH1-SG 2.93Å; R370-C374 VanDerWaalsContact NH1-SG 3.45Å; R370-C374 VanDerWaalsContact O-CB 3.22Å; R370-C374 WeakPolarHBondContact O-CB 3.32Å; R370-C374 PolarHBondContact O-N 3.32Å; R370-C374 PolarHBondContact O-SG 3.04Å; I371-C374 PolarHBondContact O-N 3.17Å; C374-L377 PolarHBondContact O-N 2.96Å; C374-A378 WeakPolarHBondContact O-CB 3.33Å; C374-A378 PolarHBondContact O-N 2.89Å
375	N	47.7	Very low	47.7	Very low	93 Å²	93	65.3 Å²	65.3	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-46.2	174.7	-70.3	-14	0	0	0	111.2	I371 Q372 A373 L377 A378 I379	I371-N375 WeakPolarHBondContact O-CB 3.39Å; I371-N375 PolarHBondContact O-N 2.9Å; I371-N375 PolarHBondContact O-ND2 3.38Å; I371-N375 PolarHBondContact O-OD1 3.08Å; Q372-N375 PolarHBondContact O-N 2.8Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.03Å; N375-L377 VanDerWaalsContact C-N 3.28Å; N375-L377 PolarHBondContact O-N 3.27Å; N375-A378 PolarHBondContact O-N 2.97Å; N375-I379 WeakPolarHBondContact O-CB 3.3Å; N375-I379 WeakPolarHBondContact O-CD1 3.44Å; N375-I379 WeakPolarHBondContact O-CG1 3.47Å; N375-I379 PolarHBondContact O-N 3.36Å
376	F	50	Low	46.6	Very low	61 Å²	61	67.2 Å²	67.2	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-56.8	-39.6	174.2	173.2	-97.2	0	0	0	112.6	F75 A305 I329 Q372 A373	F75-F376 HydrophobicContact CE2-CE1 4.46Å; F75-F376 HydrophobicContact CZ-CE1 4.48Å; A305-F376 HydrophobicContact CB-CE2 4.22Å; I329-F376 HydrophobicContact CD1-CD1 4.38Å; I329-F376 HydrophobicContact CD1-CE1 3.98Å; Q372-F376 WeakPolarHBondContact O-CB 3.15Å; Q372-F376 PolarHBondContact O-N 3.19Å; A373-F376 PolarHBondContact O-N 2.83Å
377	L	45.8	Very low	45.6	Very low	18 Å²	18	70.9 Å²	70.9	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-79.7	-35.5	179.2	-68.2	166.5	0	0	0	113.4	Y37 V39 A373 C374 N375 A380 H381	Y37-L377 HydrophobicContact CD1-CD1 3.74Å; Y37-L377 HydrophobicContact CD2-CD1 4.31Å; Y37-L377 HydrophobicContact CE1-CD1 3.35Å; Y37-L377 HydrophobicContact CE2-CD1 3.95Å; Y37-L377 HydrophobicContact CG-CD1 4.22Å; Y37-L377 VanDerWaalsContact CZ-CD1 3.46Å; V39-L377 HydrophobicContact CG2-CD2 3.99Å; A373-L377 WeakPolarHBondContact O-CB 3.43Å; A373-L377 WeakPolarHBondContact O-CD1 3.23Å; A373-L377 VanDerWaalsContact O-CG 3.22Å; A373-L377 WeakPolarHBondContact O-CG 3.19Å; A373-L377 PolarHBondContact O-N 2.76Å; C374-L377 PolarHBondContact O-N 2.96Å; N375-L377 VanDerWaalsContact C-N 3.28Å; N375-L377 PolarHBondContact O-N 3.27Å; L377-A380 CarbonylContact O-C 3.48Å; L377-A380 WeakPolarHBondContact O-CA 3.35Å; L377-A380 WeakPolarHBondContact O-CB 3.32Å; L377-A380 PolarHBondContact O-N 3.42Å; L377-H381 PolarHBondContact O-N 2.81Å
378	A	38.1	Very low	44.6	Very low	55 Å²	55	71.9 Å²	71.9	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-70.2	-32.9	177.4	0	0	0	0	0	112.1	C374 N375 A380 H381	C374-A378 WeakPolarHBondContact O-CB 3.33Å; C374-A378 PolarHBondContact O-N 2.89Å; N375-A378 PolarHBondContact O-N 2.97Å; A378-A380 PolarHBondContact O-N 3.15Å; A378-H381 PolarHBondContact O-N 2.81Å
379	I	43.4	Very low	43.7	Very low	154 Å²	154	72.2 Å²	72.2	79%	0.79	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.5	166.9	-71.1	164.8	0	0	0	111.3	N375	N375-I379 WeakPolarHBondContact O-CB 3.3Å; N375-I379 WeakPolarHBondContact O-CD1 3.44Å; N375-I379 WeakPolarHBondContact O-CG1 3.47Å; N375-I379 PolarHBondContact O-N 3.36Å
380	A	45.1	Very low	42.7	Very low	20 Å²	20	74.6 Å²	74.6	17%	0.165	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-16.3	178.7	0	0	0	0	0	115.1	F75 Q77 L377 A378	F75-A380 HydrophobicContact CD2-CB 4.26Å; Q77-A380 WeakPolarHBondContact CB-O 3.41Å; Q77-A380 PolarHBondContact OE1-O 2.97Å; L377-A380 CarbonylContact O-C 3.48Å; L377-A380 WeakPolarHBondContact O-CA 3.35Å; L377-A380 WeakPolarHBondContact O-CB 3.32Å; L377-A380 PolarHBondContact O-N 3.42Å; A378-A380 PolarHBondContact O-N 3.15Å
381	H	39.3	Very low	41.9	Very low	59 Å²	59	79.4 Å²	79.4	27%	0.273	41%	0.412	S	S	.	.	S	Bend	trans	-147.9	133.9	-170.4	-75.4	-92.7	0	0	0	114	Q77 L377 A378	Q77-H381 PolarHBondContact NE2-ND1 2.91Å; Q77-H381 VanDerWaalsContact NE2-ND1 3.16Å; L377-H381 PolarHBondContact O-N 2.81Å; A378-H381 PolarHBondContact O-N 2.81Å
382	A	40.5	Very low	41.2	Very low	61 Å²	61	79.8 Å²	79.8	50%	0.504	41%	0.412	S	S	.	.			trans	-79	144.1	178.5	0	0	0	0	0	114.2	E384	A382-E384 PolarHBondContact O-N 2.98Å
383	Q	31.8	Very low	40.4	Very low	117 Å²	117	77.9 Å²	77.9	55%	0.547	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-40.5	-162.2	-161.9	71.7	-1.2	0	0	115.7	L386 N387	Q383-L386 VanDerWaalsContact O-CB 3.23Å; Q383-L386 WeakPolarHBondContact O-CB 3.38Å; Q383-L386 PolarHBondContact O-N 2.89Å; Q383-L386 VanDerWaalsContact O-N 3.16Å; Q383-N387 PolarHBondContact O-N 2.85Å; Q383-N387 VanDerWaalsContact O-N 3.1Å
384	E	36.7	Very low	39.5	Very low	137 Å²	137	83.9 Å²	83.9	64%	0.64	43%	0.432	S	S	*	.	H	α-helix	trans	-70.8	-38	-170.2	-62.3	178	150.7	0	0	112.7	A382 L386 N387 Y388 M503	A382-E384 PolarHBondContact O-N 2.98Å; E384-L386 PolarHBondContact O-N 2.93Å; E384-N387 PolarHBondContact O-N 2.98Å; E384-Y388 PolarHBondContact O-N 2.86Å; E384-M503 WeakPolarHBondContact OE2-CE 3.34Å
385	T	39.5	Very low	38.8	Very low	96 Å²	96	87.9 Å²	87.9	59%	0.589	45%	0.45	S	S	*	.	H	α-helix	trans	-63.3	-33.8	172.9	-43	0	0	0	0	111.1	L389	T385-L389 WeakPolarHBondContact O-CB 3.34Å; T385-L389 PolarHBondContact O-N 2.9Å
386	L	36.2	Very low	38.2	Very low	73 Å²	73	88 Å²	88	38%	0.382	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-47.2	174.5	-154	77.6	0	0	0	110.7	Q383 E384 L389 V390	Q383-L386 VanDerWaalsContact O-CB 3.23Å; Q383-L386 WeakPolarHBondContact O-CB 3.38Å; Q383-L386 PolarHBondContact O-N 2.89Å; Q383-L386 VanDerWaalsContact O-N 3.16Å; E384-L386 PolarHBondContact O-N 2.93Å; L386-L389 PolarHBondContact O-N 2.82Å; L386-V390 WeakPolarHBondContact O-CB 3.45Å; L386-V390 VanDerWaalsContact O-CG2 3.25Å; L386-V390 WeakPolarHBondContact O-CG2 3.42Å; L386-V390 PolarHBondContact O-N 2.87Å
387	N	36	Very low	37.3	Very low	91 Å²	91	90.4 Å²	90.4	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-64.5	-39.3	179	-76.4	-14.9	0	0	0	113.4	Q383 E384 R391	Q383-N387 PolarHBondContact O-N 2.85Å; Q383-N387 VanDerWaalsContact O-N 3.1Å; E384-N387 PolarHBondContact O-N 2.98Å; N387-R391 PolarHBondContact O-N 2.74Å
388	Y	35.2	Very low	36.8	Very low	102 Å²	102	101.1 Å²	101.1	40%	0.4	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-45.6	174.4	177.7	-90.5	0	0	0	111.5	E384 V390 R391 H392 Y433 I436	E384-Y388 PolarHBondContact O-N 2.86Å; Y388-V390 VanDerWaalsContact C-N 3.34Å; Y388-V390 PolarHBondContact O-N 2.94Å; Y388-R391 PolarHBondContact O-N 2.88Å; Y388-H392 PolarHBondContact O-N 2.95Å; Y388-Y433 WeakPolarHBondContact OH-CE1 3.19Å; Y388-I436 HydrophobicContact CE1-CD1 3.97Å; Y388-I436 WeakPolarHBondContact OH-CD1 3.47Å
389	L	39.2	Very low	36.6	Very low	92 Å²	92	106.6 Å²	106.6	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-44	177.2	-162.8	79.7	0	0	0	110.9	T385 L386 H392 M393	T385-L389 WeakPolarHBondContact O-CB 3.34Å; T385-L389 PolarHBondContact O-N 2.9Å; L386-L389 PolarHBondContact O-N 2.82Å; L389-H392 PolarHBondContact O-N 3.46Å; L389-M393 HydrophobicContact CD2-CE 4.27Å; L389-M393 HydrophobicContact CD2-SD 4.47Å; L389-M393 HydrophobicContact CG-CE 4.22Å; L389-M393 HydrophobicContact CG-CG 4.48Å; L389-M393 HydrophobicContact CG-SD 4.3Å; L389-M393 VanDerWaalsContact O-CB 3.25Å; L389-M393 WeakPolarHBondContact O-CB 3.45Å; L389-M393 WeakPolarHBondContact O-CG 3.39Å; L389-M393 PolarHBondContact O-N 3.04Å
390	V	35.6	Very low	36.4	Very low	49 Å²	49	105.2 Å²	105.2	30%	0.297	53%	0.526	S	S	.	.	H	α-helix	trans	-60.1	-45.6	176.5	165.7	0	0	0	0	111.6	L386 Y388 M393 Q394	L386-V390 WeakPolarHBondContact O-CB 3.45Å; L386-V390 VanDerWaalsContact O-CG2 3.25Å; L386-V390 WeakPolarHBondContact O-CG2 3.42Å; L386-V390 PolarHBondContact O-N 2.87Å; Y388-V390 VanDerWaalsContact C-N 3.34Å; Y388-V390 PolarHBondContact O-N 2.94Å; V390-M393 PolarHBondContact O-N 3.22Å; V390-Q394 VanDerWaalsContact O-CG 3.28Å; V390-Q394 WeakPolarHBondContact O-CG 3.29Å; V390-Q394 PolarHBondContact O-N 2.85Å; V390-Q394 VanDerWaalsContact O-N 3.08Å
391	R	34.5	Very low	36.2	Very low	184 Å²	184	110 Å²	110	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-50.2	176.1	-80.3	-177.9	172.9	164	-2.5	112.4	N387 Y388 M393 Q394 D395	N387-R391 PolarHBondContact O-N 2.74Å; Y388-R391 PolarHBondContact O-N 2.88Å; R391-M393 PolarHBondContact O-N 3.27Å; R391-Q394 WeakPolarHBondContact O-CB 3.37Å; R391-Q394 PolarHBondContact O-N 3.25Å; R391-D395 PolarHBondContact O-N 3.33Å
392	H	36.8	Very low	35.9	Very low	75 Å²	75	112.1 Å²	112.1	35%	0.347	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-24.1	180	-158.5	-43.9	0	0	0	112.4	Y388 L389	Y388-H392 PolarHBondContact O-N 2.95Å; L389-H392 PolarHBondContact O-N 3.46Å
393	M	37.2	Very low	36	Very low	53 Å²	53	111.9 Å²	111.9	26%	0.261	55%	0.548	S	S	.	.	H	α-helix	trans	-83	-9.3	172	-71.5	-167.5	-48.9	0	0	114.7	P9 L389 V390 R391 I396	P9-M393 HydrophobicContact CB-CE 4.18Å; P9-M393 HydrophobicContact CB-SD 3.95Å; P9-M393 HydrophobicContact CG-CB 3.68Å; P9-M393 HydrophobicContact CG-CE 4.2Å; P9-M393 HydrophobicContact CG-CG 4.25Å; P9-M393 HydrophobicContact CG-SD 3.93Å; L389-M393 HydrophobicContact CD2-CE 4.27Å; L389-M393 HydrophobicContact CD2-SD 4.47Å; L389-M393 HydrophobicContact CG-CE 4.22Å; L389-M393 HydrophobicContact CG-CG 4.48Å; L389-M393 HydrophobicContact CG-SD 4.3Å; L389-M393 VanDerWaalsContact O-CB 3.25Å; L389-M393 WeakPolarHBondContact O-CB 3.45Å; L389-M393 WeakPolarHBondContact O-CG 3.39Å; L389-M393 PolarHBondContact O-N 3.04Å; V390-M393 PolarHBondContact O-N 3.22Å; R391-M393 PolarHBondContact O-N 3.27Å; M393-I396 HydrophobicContact CB-CD1 4.33Å; M393-I396 WeakPolarHBondContact O-CG1 3.46Å
394	Q	34.3	Very low	36.5	Very low	127 Å²	127	110.4 Å²	110.4	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-80.7	-40.6	171.1	-75.5	161.2	-14.8	0	0	110.7	V390 R391 I396	V390-Q394 VanDerWaalsContact O-CG 3.28Å; V390-Q394 WeakPolarHBondContact O-CG 3.29Å; V390-Q394 PolarHBondContact O-N 2.85Å; V390-Q394 VanDerWaalsContact O-N 3.08Å; R391-Q394 WeakPolarHBondContact O-CB 3.37Å; R391-Q394 PolarHBondContact O-N 3.25Å; Q394-I396 PolarHBondContact O-N 3.34Å; Q394-I396 VanDerWaalsContact O-N 3.07Å
395	D	33.1	Very low	37.1	Very low	128 Å²	128	107.1 Å²	107.1	68%	0.684	53%	0.527	S	S	*	.			trans	-83.1	30.6	-176.4	-63.3	-24.5	0	0	0	114.4	R391 T397	R391-D395 PolarHBondContact O-N 3.33Å; D395-T397 PolarHBondContact O-N 2.86Å
396	I	34	Very low	37.7	Very low	95 Å²	95	104.6 Å²	104.6	49%	0.487	51%	0.513	S	S	.	.			trans	-80	49.9	177.1	-44.1	177.5	0	0	0	111.3	M393 Q394	M393-I396 HydrophobicContact CB-CD1 4.33Å; M393-I396 WeakPolarHBondContact O-CG1 3.46Å; Q394-I396 PolarHBondContact O-N 3.34Å; Q394-I396 VanDerWaalsContact O-N 3.07Å
397	T	31.7	Very low	38.1	Very low	112 Å²	112	106.4 Å²	106.4	69%	0.687	52%	0.515	S	S	*	.			trans	-72	138.5	160.6	46.2	0	0	0	0	109.4	D395 E399	D395-T397 PolarHBondContact O-N 2.86Å; T397-E399 PolarHBondContact O-N 2.68Å
398	R	34.7	Very low	38.6	Very low	243 Å²	243	106.2 Å²	106.2	92%	0.917	51%	0.511	S	S	*	.			trans	-79.7	27.6	-163	-63.4	-177.8	176.1	176.8	0	115.8	P400	R398-P400 WeakPolarHBondContact O-CD 3.49Å
399	E	33.2	Very low	39.4	Very low	171 Å²	171	109 Å²	109	80%	0.799	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-81.5	122.6	178.4	-61.1	-157.6	149.2	0	0	110.8	T397 R401	T397-E399 PolarHBondContact O-N 2.68Å; E399-R401 PolarHBondContact O-N 2.74Å
400	P	40.7	Very low	40	Very low	125 Å²	125	108 Å²	108	81%	0.812	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-64.2	117.5	172.6	-18.1	32	0	0	0	109.3	R398 D402	R398-P400 WeakPolarHBondContact O-CD 3.49Å; P400-D402 PolarHBondContact O-N 3.45Å
401	R	39.7	Very low	40.4	Very low	119 Å²	119	112.3 Å²	112.3	45%	0.449	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-67.2	121.2	-176.8	-161	-178.3	-159.4	-169.2	7.9	110	E399 S403 Y433	E399-R401 PolarHBondContact O-N 2.74Å; R401-S403 PolarHBondContact O-N 3.39Å; R401-Y433 VanDerWaalsContact NH1-CD2 3.29Å; R401-Y433 VanDerWaalsContact NH1-CG 3.31Å
402	D	34.1	Very low	40.9	Very low	105 Å²	105	112.2 Å²	112.2	56%	0.561	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-50.6	126.9	171.9	-91.7	-53.7	0	0	0	111.5	P400 R407	P400-D402 PolarHBondContact O-N 3.45Å; D402-R407 HydrophobicContact CB-CG 4.25Å; D402-R407 WeakPolarHBondContact O-CD 3.35Å; D402-R407 PolarHBondContact O-NE 3.43Å
403	S	41.5	Very low	41.1	Very low	56 Å²	56	119.9 Å²	119.9	39%	0.392	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-61.1	157.6	-178.8	37.1	0	0	0	0	113	R401 T405 S406 R407	R401-S403 PolarHBondContact O-N 3.39Å; S403-T405 VanDerWaalsContact C-N 3.28Å; S403-T405 PolarHBondContact O-N 2.9Å; S403-S406 WeakPolarHBondContact O-CA 3.14Å; S403-S406 VanDerWaalsContact O-CB 3.29Å; S403-S406 WeakPolarHBondContact O-CB 3.44Å; S403-S406 PolarHBondContact O-N 2.78Å; S403-S406 PolarHBondContact OG-OG 3.5Å; S403-S406 VanDerWaalsContact OG-OG 3.04Å; S403-R407 PolarHBondContact O-N 3.36Å
404	Y	42.1	Very low	41.1	Very low	86 Å²	86	120.1 Å²	120.1	34%	0.337	59%	0.588	S	S	.	*	H	α-helix	trans	-49.5	-44.6	-178.6	-179.7	-106.2	0	0	0	113.7	S406 R407 Q408 Y430	Y404-S406 PolarHBondContact O-N 3.37Å; Y404-R407 PolarHBondContact O-N 3.03Å; Y404-R407 VanDerWaalsContact O-N 3.12Å; Y404-Q408 HydrophobicContact CD1-CG 4.49Å; Y404-Q408 HydrophobicContact CE1-CG 4.09Å; Y404-Q408 HydrophobicContact CE2-CG 4.4Å; Y404-Q408 VanDerWaalsContact CZ-NE2 3.3Å; Y404-Q408 PolarHBondContact O-N 2.84Å; Y404-Q408 PolarHBondContact OH-NE2 3.35Å; Y404-Y430 HydrophobicContact CD2-CD2 4.33Å; Y404-Y430 AromaticContact CE2-CD2 3.99Å; Y404-Y430 HydrophobicContact CE2-CD2 3.99Å; Y404-Y430 HydrophobicContact CE2-CE2 4.48Å
405	T	49.4	Very low	41	Very low	68 Å²	68	122.2 Å²	122.2	42%	0.417	60%	0.603	S	S	.	*	H	α-helix	trans	-59	-43.9	175.8	48.1	0	0	0	0	112.8	S403 R407 Q409	S403-T405 VanDerWaalsContact C-N 3.28Å; S403-T405 PolarHBondContact O-N 2.9Å; T405-R407 VanDerWaalsContact C-N 3.33Å; T405-R407 PolarHBondContact O-N 3.34Å; T405-Q409 WeakPolarHBondContact O-CG 3.35Å; T405-Q409 PolarHBondContact O-N 2.99Å
406	S	52.2	Low	41	Very low	42 Å²	42	123.6 Å²	123.6	29%	0.294	61%	0.609	S	S	.	*	H	α-helix	trans	-61.8	-40.8	173.9	-43.3	0	0	0	0	111.5	S403 Y404 A410	S403-S406 WeakPolarHBondContact O-CA 3.14Å; S403-S406 VanDerWaalsContact O-CB 3.29Å; S403-S406 WeakPolarHBondContact O-CB 3.44Å; S403-S406 PolarHBondContact O-N 2.78Å; S403-S406 PolarHBondContact OG-OG 3.5Å; S403-S406 VanDerWaalsContact OG-OG 3.04Å; Y404-S406 PolarHBondContact O-N 3.37Å; S406-A410 PolarHBondContact O-N 3.11Å; S406-A410 VanDerWaalsContact O-N 3.1Å
407	R	45.2	Very low	41	Very low	112 Å²	112	125.7 Å²	125.7	42%	0.423	63%	0.626	S	S	.	*	H	α-helix	trans	-72.3	-36.1	-178.7	-69	-177.7	-180	-99.5	-15.5	113.2	D402 S403 Y404 T405 A410 K411	D402-R407 HydrophobicContact CB-CG 4.25Å; D402-R407 WeakPolarHBondContact O-CD 3.35Å; D402-R407 PolarHBondContact O-NE 3.43Å; S403-R407 PolarHBondContact O-N 3.36Å; Y404-R407 PolarHBondContact O-N 3.03Å; Y404-R407 VanDerWaalsContact O-N 3.12Å; T405-R407 VanDerWaalsContact C-N 3.33Å; T405-R407 PolarHBondContact O-N 3.34Å; R407-A410 PolarHBondContact O-N 3.46Å; R407-K411 WeakPolarHBondContact O-CB 3.39Å; R407-K411 PolarHBondContact O-N 3.37Å
408	Q	46.2	Very low	41.4	Very low	87 Å²	87	125.8 Å²	125.8	41%	0.407	63%	0.629	S	S	.	*	H	α-helix	trans	-62.5	-47.7	172.5	-79.9	-161.3	-17	0	0	111.4	Y404 A410 K411	Y404-Q408 HydrophobicContact CD1-CG 4.49Å; Y404-Q408 HydrophobicContact CE1-CG 4.09Å; Y404-Q408 HydrophobicContact CE2-CG 4.4Å; Y404-Q408 VanDerWaalsContact CZ-NE2 3.3Å; Y404-Q408 PolarHBondContact O-N 2.84Å; Y404-Q408 PolarHBondContact OH-NE2 3.35Å; Q408-A410 VanDerWaalsContact C-N 3.29Å; Q408-A410 PolarHBondContact O-N 3.34Å; Q408-K411 PolarHBondContact O-N 3.07Å; Q408-K411 VanDerWaalsContact O-N 3.12Å
409	Q	52.5	Low	41.3	Very low	161 Å²	161	120.7 Å²	120.7	75%	0.752	63%	0.625	S	S	*	*	H	α-helix	trans	-61.8	-36.4	178.4	-69.1	-177.1	6.1	0	0	112.3	T405	T405-Q409 WeakPolarHBondContact O-CG 3.35Å; T405-Q409 PolarHBondContact O-N 2.99Å
410	A	50.3	Low	41.8	Very low	70 Å²	70	118.5 Å²	118.5	58%	0.579	63%	0.626	S	S	*	*	H	α-helix	trans	-68.7	-34	174.4	0	0	0	0	0	113.6	S406 R407 Q408	S406-A410 PolarHBondContact O-N 3.11Å; S406-A410 VanDerWaalsContact O-N 3.1Å; R407-A410 PolarHBondContact O-N 3.46Å; Q408-A410 VanDerWaalsContact C-N 3.29Å; Q408-A410 PolarHBondContact O-N 3.34Å
411	K	44.3	Very low	41.5	Very low	140 Å²	140	121.6 Å²	121.6	61%	0.609	63%	0.629	S	S	*	*	H	α-helix	trans	-82.6	-7.1	-172.8	-92.1	-155.6	164.6	-159.8	0	116.5	R407 Q408 R413 S414	R407-K411 WeakPolarHBondContact O-CB 3.39Å; R407-K411 PolarHBondContact O-N 3.37Å; Q408-K411 PolarHBondContact O-N 3.07Å; Q408-K411 VanDerWaalsContact O-N 3.12Å; K411-R413 PolarHBondContact O-N 3.28Å; K411-S414 PolarHBondContact O-N 3.06Å
412	Q	46.2	Very low	41.4	Very low	181 Å²	181	119.4 Å²	119.4	85%	0.846	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	9.2	166.2	-73.6	-167.4	-10.6	0	0	114.1
413	R	40.7	Very low	42	Very low	237 Å²	237	121.6 Å²	121.6	89%	0.894	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	15.5	178.9	-74	-172.6	165.8	-163.5	-5.3	114.8	K411	K411-R413 PolarHBondContact O-N 3.28Å
414	S	36.4	Very low	42	Very low	58 Å²	58	122.8 Å²	122.8	41%	0.406	63%	0.634	S	S	.	*			trans	-145.1	89.1	179.6	68.2	0	0	0	0	113.6	K411 L416	K411-S414 PolarHBondContact O-N 3.06Å; S414-L416 PolarHBondContact O-N 3.08Å
415	D	34	Very low	42.7	Very low	170 Å²	170	122 Å²	122	91%	0.909	64%	0.638	S	S	*	*			trans	-69.2	103.2	163.6	-66.3	-59.2	0	0	0	109.9
416	L	32.6	Very low	42.9	Very low	157 Å²	157	123.8 Å²	123.8	82%	0.822	64%	0.642	S	S	*	*			trans	-139	131.8	167.4	-76.5	178.9	0	0	0	110.3	S414	S414-L416 PolarHBondContact O-N 3.08Å
417	V	34.4	Very low	42.7	Very low	139 Å²	139	128.3 Å²	128.3	84%	0.842	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-72.9	138.6	-169.2	-178.4	0	0	0	0	111.3
418	P	38.2	Very low	42.9	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-79.3	134.4	-178.4	-9.6	27	0	0	0	113
419	T	34.3	Very low	43.3	Very low	136 Å²	136	123 Å²	123	83%	0.834	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-90	127	167.3	40	0	0	0	0	111.1	E421	T419-E421 PolarHBondContact O-N 2.96Å
420	P	43.5	Very low	43.4	Very low	125 Å²	125	118.8 Å²	118.8	81%	0.812	62%	0.617	S	S	*	*			trans	-98.5	90.1	-168.6	36.4	-34.6	0	0	0	114.2
421	E	34.3	Very low	43.8	Very low	190 Å²	190	121.8 Å²	121.8	89%	0.888	62%	0.617	S	S	*	*			trans	-124.7	-0.1	166.3	-71.3	-164	152.7	0	0	114.5	T419	T419-E421 PolarHBondContact O-N 2.96Å
422	S	37.7	Very low	44.1	Very low	73 Å²	73	117.4 Å²	117.4	51%	0.51	60%	0.602	S	S	.	*			trans	-88.4	125.3	168.4	178.2	0	0	0	0	110.6	M424 I429	S422-M424 VanDerWaalsContact C-N 3.3Å; S422-M424 PolarHBondContact OG-N 3.31Å; S422-M424 VanDerWaalsContact OG-N 3.15Å; S422-M424 PolarHBondContact OG-O 3.26Å; S422-I429 VanDerWaalsContact OG-CD1 3.27Å; S422-I429 WeakPolarHBondContact OG-CD1 3.43Å
423	Y	46.5	Very low	44.5	Very low	150 Å²	150	111.6 Å²	111.6	59%	0.588	57%	0.572	S	S	*	*	S	Bend	trans	-66.3	-31.7	168.6	-82.3	-95.5	0	0	0	112.4	R500	Y423-R500 VanDerWaalsContact C-NH1 3.31Å; Y423-R500 PolarHBondContact O-NH1 3.24Å; Y423-R500 PolarHBondContact O-NH2 3.29Å
424	M	41.5	Very low	45.5	Very low	81 Å²	81	102.3 Å²	102.3	40%	0.399	54%	0.541	S	S	.	.	S	Bend	trans	-74.1	139.3	-177.9	-76.2	-177.8	122.8	0	0	111.4	S422 E428 I429 R500	S422-M424 VanDerWaalsContact C-N 3.3Å; S422-M424 PolarHBondContact OG-N 3.31Å; S422-M424 VanDerWaalsContact OG-N 3.15Å; S422-M424 PolarHBondContact OG-O 3.26Å; M424-E428 HydrophobicContact CB-CB 4.34Å; M424-E428 HydrophobicContact CE-CB 4.42Å; M424-I429 HydrophobicContact CB-CD1 4.2Å; M424-I429 HydrophobicContact CB-CG1 3.45Å; M424-I429 VanDerWaalsContact CB-CG1 3.45Å; M424-R500 VanDerWaalsContact CA-NH2 3.35Å
425	T	55.7	Low	46.3	Very low	69 Å²	69	104.7 Å²	104.7	42%	0.423	55%	0.545	S	S	.	.			trans	-65.2	151.5	171.8	72	0	0	0	0	108.8	E427 E428 I429	T425-E427 PolarHBondContact O-N 2.91Å; T425-E427 VanDerWaalsContact O-N 3.11Å; T425-E428 PolarHBondContact N-OE2 3.47Å; T425-E428 WeakPolarHBondContact O-CB 3.49Å; T425-E428 PolarHBondContact O-N 2.87Å; T425-E428 WeakPolarHBondContact OG1-CG 3.21Å; T425-E428 PolarHBondContact OG1-N 3.46Å; T425-E428 PolarHBondContact OG1-OE2 3.49Å; T425-I429 WeakPolarHBondContact O-CG1 3.26Å; T425-I429 PolarHBondContact O-N 2.92Å
426	Q	53.9	Low	47.1	Very low	106 Å²	106	99 Å²	99	50%	0.495	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-31.4	-172.5	-160.5	69.5	10.1	0	0	112.4	Y430	Q426-Y430 HydrophobicContact CG-CD2 4.14Å; Q426-Y430 HydrophobicContact CG-CE2 3.5Å; Q426-Y430 PolarHBondContact NE2-OH 3.27Å; Q426-Y430 WeakPolarHBondContact O-CD2 3.29Å; Q426-Y430 PolarHBondContact O-N 3.39Å
427	E	49	Very low	48.2	Very low	138 Å²	138	93.7 Å²	93.7	65%	0.645	49%	0.487	S	S	*	.	H	α-helix	trans	-72.1	-40.9	173.9	-65.3	134.8	-178.6	0	0	113	T425 I429 Y430 K431	T425-E427 PolarHBondContact O-N 2.91Å; T425-E427 VanDerWaalsContact O-N 3.11Å; E427-I429 VanDerWaalsContact C-N 3.29Å; E427-I429 PolarHBondContact O-N 2.95Å; E427-Y430 PolarHBondContact O-N 2.81Å; E427-K431 WeakPolarHBondContact O-CB 3.03Å; E427-K431 PolarHBondContact O-N 2.84Å
428	E	49.7	Very low	49.2	Very low	65 Å²	65	88.9 Å²	88.9	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-40	172.1	-74.5	173.8	126.6	0	0	111.1	M424 T425 T432 R500	M424-E428 HydrophobicContact CB-CB 4.34Å; M424-E428 HydrophobicContact CE-CB 4.42Å; T425-E428 PolarHBondContact N-OE2 3.47Å; T425-E428 WeakPolarHBondContact O-CB 3.49Å; T425-E428 PolarHBondContact O-N 2.87Å; T425-E428 WeakPolarHBondContact OG1-CG 3.21Å; T425-E428 PolarHBondContact OG1-N 3.46Å; T425-E428 PolarHBondContact OG1-OE2 3.49Å; E428-T432 WeakPolarHBondContact O-CB 3.36Å; E428-T432 PolarHBondContact O-N 2.96Å; E428-T432 PolarHBondContact O-OG1 2.87Å; E428-R500 VanDerWaalsContact CD-NE 3.32Å; E428-R500 IonicContact OE1-CZ 2.66Å; E428-R500 IonicContact OE1-NE 3.59Å; E428-R500 PolarHBondContact OE1-NE 2.91Å; E428-R500 IonicContact OE1-NH2 3.9Å; E428-R500 IonicContact OE2-CZ 3.44Å; E428-R500 IonicContact OE2-NE 2.7Å; E428-R500 PolarHBondContact OE2-NE 2.75Å; E428-R500 IonicContact OE2-NH2 2.63Å; E428-R500 PolarHBondContact OE2-NH2 3.48Å
429	I	52.8	Low	49.7	Very low	23 Å²	23	87.4 Å²	87.4	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-60.6	-52.1	174.6	-63.1	172.2	0	0	0	110.1	S422 M424 T425 E427 T432 Y433	S422-I429 VanDerWaalsContact OG-CD1 3.27Å; S422-I429 WeakPolarHBondContact OG-CD1 3.43Å; M424-I429 HydrophobicContact CB-CD1 4.2Å; M424-I429 HydrophobicContact CB-CG1 3.45Å; M424-I429 VanDerWaalsContact CB-CG1 3.45Å; T425-I429 WeakPolarHBondContact O-CG1 3.26Å; T425-I429 PolarHBondContact O-N 2.92Å; E427-I429 VanDerWaalsContact C-N 3.29Å; E427-I429 PolarHBondContact O-N 2.95Å; I429-T432 PolarHBondContact O-N 3.13Å; I429-Y433 HydrophobicContact CG2-CD2 3.73Å; I429-Y433 HydrophobicContact CG2-CE2 3.23Å; I429-Y433 WeakPolarHBondContact O-CD2 3.33Å; I429-Y433 PolarHBondContact O-N 3.16Å
430	Y	56.4	Low	50.1	Low	71 Å²	71	86.4 Å²	86.4	28%	0.278	42%	0.423	S	S	.	.	H	α-helix	trans	-63.8	-42.9	-178.1	-69.7	-43	0	0	0	112.4	Y404 Q426 E427 T432 Y433 D434	Y404-Y430 HydrophobicContact CD2-CD2 4.33Å; Y404-Y430 AromaticContact CE2-CD2 3.99Å; Y404-Y430 HydrophobicContact CE2-CD2 3.99Å; Y404-Y430 HydrophobicContact CE2-CE2 4.48Å; Q426-Y430 HydrophobicContact CG-CD2 4.14Å; Q426-Y430 HydrophobicContact CG-CE2 3.5Å; Q426-Y430 PolarHBondContact NE2-OH 3.27Å; Q426-Y430 WeakPolarHBondContact O-CD2 3.29Å; Q426-Y430 PolarHBondContact O-N 3.39Å; E427-Y430 PolarHBondContact O-N 2.81Å; Y430-T432 VanDerWaalsContact C-N 3.33Å; Y430-T432 PolarHBondContact O-N 2.69Å; Y430-Y433 HydrophobicContact CD1-CD2 4.22Å; Y430-Y433 WeakPolarHBondContact O-CB 3.28Å; Y430-Y433 PolarHBondContact O-N 2.97Å; Y430-Y433 VanDerWaalsContact O-N 3.11Å; Y430-D434 PolarHBondContact O-N 3.1Å
431	K	57.3	Low	50.1	Low	134 Å²	134	83.4 Å²	83.4	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-39	175.3	-172.6	173	-179.8	176.8	0	112.4	E427 Y433 D434 E435	E427-K431 WeakPolarHBondContact O-CB 3.03Å; E427-K431 PolarHBondContact O-N 2.84Å; K431-Y433 VanDerWaalsContact C-N 3.31Å; K431-Y433 PolarHBondContact O-N 2.79Å; K431-D434 PolarHBondContact O-N 2.64Å; K431-E435 WeakPolarHBondContact CE-OE1 3.32Å; K431-E435 WeakPolarHBondContact O-CG 3.39Å; K431-E435 PolarHBondContact O-N 3.28Å
432	T	51.3	Low	50.6	Low	47 Å²	47	79.2 Å²	79.2	29%	0.288	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-37.7	174.1	-54.5	0	0	0	0	111.2	E428 I429 Y430 I436	E428-T432 WeakPolarHBondContact O-CB 3.36Å; E428-T432 PolarHBondContact O-N 2.96Å; E428-T432 PolarHBondContact O-OG1 2.87Å; I429-T432 PolarHBondContact O-N 3.13Å; Y430-T432 VanDerWaalsContact C-N 3.33Å; Y430-T432 PolarHBondContact O-N 2.69Å; T432-I436 HydrophobicContact CG2-CD1 4.04Å; T432-I436 WeakPolarHBondContact O-CB 3.31Å; T432-I436 WeakPolarHBondContact O-CD1 3.39Å; T432-I436 VanDerWaalsContact O-CG1 3.22Å; T432-I436 WeakPolarHBondContact O-CG1 3.38Å; T432-I436 PolarHBondContact O-N 2.86Å
433	Y	54.6	Low	50.8	Low	59 Å²	59	81.4 Å²	81.4	23%	0.231	38%	0.379	C	S	.	.	H	α-helix	trans	-68	-41.7	172.8	-69.1	-44.4	0	0	0	113	Y388 R401 I429 Y430 K431 E435 I436 D437	Y388-Y433 WeakPolarHBondContact OH-CE1 3.19Å; R401-Y433 VanDerWaalsContact NH1-CD2 3.29Å; R401-Y433 VanDerWaalsContact NH1-CG 3.31Å; I429-Y433 HydrophobicContact CG2-CD2 3.73Å; I429-Y433 HydrophobicContact CG2-CE2 3.23Å; I429-Y433 WeakPolarHBondContact O-CD2 3.33Å; I429-Y433 PolarHBondContact O-N 3.16Å; Y430-Y433 HydrophobicContact CD1-CD2 4.22Å; Y430-Y433 WeakPolarHBondContact O-CB 3.28Å; Y430-Y433 PolarHBondContact O-N 2.97Å; Y430-Y433 VanDerWaalsContact O-N 3.11Å; K431-Y433 VanDerWaalsContact C-N 3.31Å; K431-Y433 PolarHBondContact O-N 2.79Å; Y433-E435 VanDerWaalsContact C-N 3.34Å; Y433-E435 PolarHBondContact O-N 2.84Å; Y433-I436 PolarHBondContact O-N 3.1Å; Y433-D437 WeakPolarHBondContact O-CB 3.35Å; Y433-D437 PolarHBondContact O-N 3.23Å
434	D	60.9	Low	50.4	Low	43 Å²	43	82.1 Å²	82.1	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-61.9	-41.4	176.1	-75.2	-41.2	0	0	0	111.3	Y430 K431 D437 D438 R453	Y430-D434 PolarHBondContact O-N 3.1Å; K431-D434 PolarHBondContact O-N 2.64Å; D434-D437 PolarHBondContact O-N 3.37Å; D434-D438 WeakPolarHBondContact O-CB 3.3Å; D434-D438 PolarHBondContact O-N 2.68Å; D434-R453 WeakPolarHBondContact OD1-CD 3.33Å; D434-R453 IonicContact OD1-CZ 2.79Å; D434-R453 IonicContact OD1-NE 2.79Å; D434-R453 IonicContact OD1-NH1 3.45Å; D434-R453 PolarHBondContact OD1-NH1 2.8Å
435	E	53.6	Low	50.7	Low	107 Å²	107	82.1 Å²	82.1	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-37.1	174.6	-72.4	177.7	-160.6	0	0	112.2	K431 Y433 I439	K431-E435 WeakPolarHBondContact CE-OE1 3.32Å; K431-E435 WeakPolarHBondContact O-CG 3.39Å; K431-E435 PolarHBondContact O-N 3.28Å; Y433-E435 VanDerWaalsContact C-N 3.34Å; Y433-E435 PolarHBondContact O-N 2.84Å; E435-I439 WeakPolarHBondContact O-CB 3.38Å; E435-I439 WeakPolarHBondContact O-CD1 3.45Å; E435-I439 WeakPolarHBondContact O-CG1 3.42Å; E435-I439 PolarHBondContact O-N 3.31Å
436	I	51.8	Low	50	Low	51 Å²	51	81.4 Å²	81.4	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-42.3	173.4	-72.2	166.3	0	0	0	111.6	Y388 T432 Y433 I439 Y440	Y388-I436 HydrophobicContact CE1-CD1 3.97Å; Y388-I436 WeakPolarHBondContact OH-CD1 3.47Å; T432-I436 HydrophobicContact CG2-CD1 4.04Å; T432-I436 WeakPolarHBondContact O-CB 3.31Å; T432-I436 WeakPolarHBondContact O-CD1 3.39Å; T432-I436 VanDerWaalsContact O-CG1 3.22Å; T432-I436 WeakPolarHBondContact O-CG1 3.38Å; T432-I436 PolarHBondContact O-N 2.86Å; Y433-I436 PolarHBondContact O-N 3.1Å; I436-I439 PolarHBondContact O-N 3.34Å; I436-Y440 VanDerWaalsContact O-CB 3.32Å; I436-Y440 WeakPolarHBondContact O-CB 3.23Å; I436-Y440 PolarHBondContact O-N 3.01Å
437	D	54.6	Low	49.8	Very low	46 Å²	46	82.5 Å²	82.5	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-43.3	175.7	-85.3	-9.6	0	0	0	111.2	Y433 D434 Y440 F441 R453	Y433-D437 WeakPolarHBondContact O-CB 3.35Å; Y433-D437 PolarHBondContact O-N 3.23Å; D434-D437 PolarHBondContact O-N 3.37Å; D437-Y440 PolarHBondContact O-N 3.46Å; D437-F441 WeakPolarHBondContact O-CB 3.46Å; D437-F441 PolarHBondContact O-N 3.41Å; D437-R453 VanDerWaalsContact CB-NH2 3.32Å; D437-R453 IonicContact OD2-NH1 3.13Å; D437-R453 PolarHBondContact OD2-NH1 3.17Å; D437-R453 IonicContact OD2-NH2 2.65Å
438	D	55.1	Low	49.9	Very low	38 Å²	38	82.3 Å²	82.3	20%	0.203	38%	0.381	C	S	.	.	H	α-helix	trans	-71.7	-34.7	-179.3	-77	4	0	0	0	111.6	D434 F441 Y442 Y448 P449 R453	D434-D438 WeakPolarHBondContact O-CB 3.3Å; D434-D438 PolarHBondContact O-N 2.68Å; D438-F441 PolarHBondContact O-N 3.3Å; D438-Y442 WeakPolarHBondContact O-CB 3.49Å; D438-Y442 PolarHBondContact O-N 3.38Å; D438-Y448 HydrophobicContact CB-CD1 4.43Å; D438-P449 HydrophobicContact CB-CG 4.09Å; D438-P449 VanDerWaalsContact CG-CG 3.49Å; D438-P449 WeakPolarHBondContact OD1-CG 3.49Å; D438-R453 IonicContact OD1-CZ 3.17Å; D438-R453 IonicContact OD1-NE 2.74Å; D438-R453 PolarHBondContact OD1-NE 3.33Å; D438-R453 IonicContact OD1-NH2 2.73Å; D438-R453 PolarHBondContact OD1-NH2 2.71Å
439	I	49.1	Very low	50.2	Low	83 Å²	83	80.8 Å²	80.8	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-43.6	168.2	-72.4	166	0	0	0	110.8	E435 I436 Y442 I443	E435-I439 WeakPolarHBondContact O-CB 3.38Å; E435-I439 WeakPolarHBondContact O-CD1 3.45Å; E435-I439 WeakPolarHBondContact O-CG1 3.42Å; E435-I439 PolarHBondContact O-N 3.31Å; I436-I439 PolarHBondContact O-N 3.34Å; I439-Y442 PolarHBondContact O-N 2.87Å; I439-I443 HydrophobicContact CG2-CD1 3.76Å; I439-I443 HydrophobicContact CG2-CG1 4.46Å; I439-I443 VanDerWaalsContact O-CG1 3.3Å; I439-I443 WeakPolarHBondContact O-CG1 3.26Å; I439-I443 PolarHBondContact O-N 3.46Å
440	Y	43.6	Very low	50.2	Low	115 Å²	115	85.1 Å²	85.1	45%	0.451	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-41	176.7	177.5	-94.4	0	0	0	111.5	I436 D437 I443 R444	I436-Y440 VanDerWaalsContact O-CB 3.32Å; I436-Y440 WeakPolarHBondContact O-CB 3.23Å; I436-Y440 PolarHBondContact O-N 3.01Å; D437-Y440 PolarHBondContact O-N 3.46Å; Y440-I443 PolarHBondContact O-N 2.94Å; Y440-R444 WeakPolarHBondContact O-CB 3.28Å; Y440-R444 PolarHBondContact O-N 3.1Å; Y440-R444 PolarHBondContact OH-NH1 2.99Å
441	F	43.5	Very low	49.8	Very low	62 Å²	62	90.4 Å²	90.4	27%	0.272	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-43.9	173.2	-171.6	-77.1	0	0	0	111.2	D437 D438 R444 H445 Y447 P449	D437-F441 WeakPolarHBondContact O-CB 3.46Å; D437-F441 PolarHBondContact O-N 3.41Å; D438-F441 PolarHBondContact O-N 3.3Å; F441-R444 PolarHBondContact O-N 3.02Å; F441-H445 HydrophobicContact CD1-CB 4.47Å; F441-H445 AromaticContact CD1-ND1 3.48Å; F441-H445 WeakPolarHBondContact CD1-ND1 3.44Å; F441-H445 AromaticContact CD2-CE1 3.59Å; F441-H445 AromaticContact CD2-ND1 3.49Å; F441-H445 WeakPolarHBondContact CD2-ND1 3.49Å; F441-H445 HydrophobicContact CE1-CB 4.12Å; F441-H445 AromaticContact CE1-ND1 3.44Å; F441-H445 WeakPolarHBondContact CE1-ND1 3.43Å; F441-H445 AromaticContact CE2-CE1 3.5Å; F441-H445 VanDerWaalsContact CE2-CE1 3.5Å; F441-H445 WeakPolarHBondContact CE2-CE1 3.3Å; F441-H445 AromaticContact CE2-ND1 3.45Å; F441-H445 WeakPolarHBondContact CE2-ND1 3.4Å; F441-H445 AromaticContact CG-ND1 3.49Å; F441-H445 WeakPolarHBondContact CG-ND1 3.39Å; F441-H445 AromaticContact CZ-CE1 3.87Å; F441-H445 AromaticContact CZ-ND1 3.43Å; F441-H445 WeakPolarHBondContact CZ-ND1 3.23Å; F441-H445 PolarHBondContact O-N 2.74Å; F441-H445 PolarHBondContact O-ND1 3.15Å; F441-Y447 VanDerWaalsContact CD1-O 3.31Å; F441-Y447 WeakPolarHBondContact CD1-O 3.26Å; F441-Y447 HydrophobicContact CE1-CD2 4.1Å; F441-Y447 AromaticContact CE1-CE2 3.75Å; F441-Y447 HydrophobicContact CE1-CE2 3.75Å; F441-Y447 HydrophobicContact CZ-CE2 4.18Å; F441-P449 HydrophobicContact CB-CG 4.28Å; F441-P449 HydrophobicContact CD1-CB 3.83Å; F441-P449 HydrophobicContact CD1-CG 4.06Å; F441-P449 HydrophobicContact CD2-CB 4.24Å; F441-P449 HydrophobicContact CE1-CB 3.95Å; F441-P449 HydrophobicContact CE2-CB 4.35Å; F441-P449 HydrophobicContact CG-CB 4Å; F441-P449 HydrophobicContact CG-CG 4.09Å; F441-P449 HydrophobicContact CZ-CB 4.21Å
442	Y	43.7	Very low	49.4	Very low	103 Å²	103	91.3 Å²	91.3	40%	0.404	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-47.3	175.9	-177.6	-88.4	0	0	0	112.3	D438 I439 R444 G446 Y447 Y448	D438-Y442 WeakPolarHBondContact O-CB 3.49Å; D438-Y442 PolarHBondContact O-N 3.38Å; I439-Y442 PolarHBondContact O-N 2.87Å; Y442-R444 VanDerWaalsContact C-N 3.25Å; Y442-R444 PolarHBondContact O-N 3.46Å; Y442-G446 VanDerWaalsContact O-CA 3.28Å; Y442-G446 WeakPolarHBondContact O-CA 3.2Å; Y442-G446 PolarHBondContact O-N 3.27Å; Y442-Y447 WeakPolarHBondContact CA-O 3.15Å; Y442-Y448 HydrophobicContact CD2-CD1 4.13Å; Y442-Y448 AromaticContact CD2-CD2 3.28Å; Y442-Y448 HydrophobicContact CD2-CD2 3.28Å; Y442-Y448 HydrophobicContact CD2-CE1 4.19Å; Y442-Y448 AromaticContact CD2-CE2 3.35Å; Y442-Y448 HydrophobicContact CD2-CE2 3.35Å; Y442-Y448 AromaticContact CD2-CG 3.69Å; Y442-Y448 HydrophobicContact CD2-CG 3.69Å; Y442-Y448 AromaticContact CD2-CZ 3.82Å; Y442-Y448 AromaticContact CE2-CD2 3.74Å; Y442-Y448 HydrophobicContact CE2-CD2 3.74Å; Y442-Y448 AromaticContact CE2-CE2 3.7Å; Y442-Y448 HydrophobicContact CE2-CE2 3.7Å; Y442-Y448 HydrophobicContact CG-CD1 4.34Å; Y442-Y448 HydrophobicContact CG-CD2 4.14Å; Y442-Y448 HydrophobicContact CG-CE1 4.11Å; Y442-Y448 AromaticContact CG-CE2 3.89Å; Y442-Y448 HydrophobicContact CG-CE2 3.89Å; Y442-Y448 HydrophobicContact CG-CG 4.35Å; Y442-Y448 AromaticContact CG-CZ 3.87Å
443	I	41.1	Very low	49.2	Very low	119 Å²	119	94 Å²	94	61%	0.61	45%	0.448	S	S	*	.	H	α-helix	trans	-60.5	-37.2	176.8	-69.9	166.1	0	0	0	111	I439 Y440	I439-I443 HydrophobicContact CG2-CD1 3.76Å; I439-I443 HydrophobicContact CG2-CG1 4.46Å; I439-I443 VanDerWaalsContact O-CG1 3.3Å; I439-I443 WeakPolarHBondContact O-CG1 3.26Å; I439-I443 PolarHBondContact O-N 3.46Å; Y440-I443 PolarHBondContact O-N 2.94Å
444	R	38.9	Very low	48.3	Very low	165 Å²	165	99.6 Å²	99.6	62%	0.623	47%	0.473	S	S	*	.	H	α-helix	trans	-79.2	-33.1	-176.2	-176	171.7	171.4	161.6	-5.4	114.5	Y440 F441 Y442	Y440-R444 WeakPolarHBondContact O-CB 3.28Å; Y440-R444 PolarHBondContact O-N 3.1Å; Y440-R444 PolarHBondContact OH-NH1 2.99Å; F441-R444 PolarHBondContact O-N 3.02Å; Y442-R444 VanDerWaalsContact C-N 3.25Å; Y442-R444 PolarHBondContact O-N 3.46Å
445	H	48	Very low	47.2	Very low	81 Å²	81	102.6 Å²	102.6	38%	0.375	49%	0.494	S	S	.	.	H	α-helix	trans	-117.3	-11.9	-173.2	-52.3	107.7	0	0	0	114.5	F441 Y447	F441-H445 HydrophobicContact CD1-CB 4.47Å; F441-H445 AromaticContact CD1-ND1 3.48Å; F441-H445 WeakPolarHBondContact CD1-ND1 3.44Å; F441-H445 AromaticContact CD2-CE1 3.59Å; F441-H445 AromaticContact CD2-ND1 3.49Å; F441-H445 WeakPolarHBondContact CD2-ND1 3.49Å; F441-H445 HydrophobicContact CE1-CB 4.12Å; F441-H445 AromaticContact CE1-ND1 3.44Å; F441-H445 WeakPolarHBondContact CE1-ND1 3.43Å; F441-H445 AromaticContact CE2-CE1 3.5Å; F441-H445 VanDerWaalsContact CE2-CE1 3.5Å; F441-H445 WeakPolarHBondContact CE2-CE1 3.3Å; F441-H445 AromaticContact CE2-ND1 3.45Å; F441-H445 WeakPolarHBondContact CE2-ND1 3.4Å; F441-H445 AromaticContact CG-ND1 3.49Å; F441-H445 WeakPolarHBondContact CG-ND1 3.39Å; F441-H445 AromaticContact CZ-CE1 3.87Å; F441-H445 AromaticContact CZ-ND1 3.43Å; F441-H445 WeakPolarHBondContact CZ-ND1 3.23Å; F441-H445 PolarHBondContact O-N 2.74Å; F441-H445 PolarHBondContact O-ND1 3.15Å; H445-Y447 VanDerWaalsContact C-N 3.32Å; H445-Y447 HydrophobicContact CB-CD1 4.04Å; H445-Y447 HydrophobicContact CB-CE1 3.67Å; H445-Y447 WeakPolarHBondContact O-CD1 3.46Å; H445-Y447 WeakPolarHBondContact O-CE1 3.15Å
446	G	40.1	Very low	46.5	Very low	54 Å²	54	102.3 Å²	102.3	56%	0.557	50%	0.496	S	S	*	.	S	Bend	trans	82.3	2	-177.8	0	0	0	0	0	115.1	Y442	Y442-G446 VanDerWaalsContact O-CA 3.28Å; Y442-G446 WeakPolarHBondContact O-CA 3.2Å; Y442-G446 PolarHBondContact O-N 3.27Å
447	Y	51	Low	45.6	Very low	129 Å²	129	106.8 Å²	106.8	51%	0.506	52%	0.521	S	S	.	.	S	Bend	trans	-147.5	153.1	178.7	61.6	-89.1	0	0	0	110.8	F441 Y442 H445	F441-Y447 VanDerWaalsContact CD1-O 3.31Å; F441-Y447 WeakPolarHBondContact CD1-O 3.26Å; F441-Y447 HydrophobicContact CE1-CD2 4.1Å; F441-Y447 AromaticContact CE1-CE2 3.75Å; F441-Y447 HydrophobicContact CE1-CE2 3.75Å; F441-Y447 HydrophobicContact CZ-CE2 4.18Å; Y442-Y447 WeakPolarHBondContact CA-O 3.15Å; H445-Y447 VanDerWaalsContact C-N 3.32Å; H445-Y447 HydrophobicContact CB-CD1 4.04Å; H445-Y447 HydrophobicContact CB-CE1 3.67Å; H445-Y447 WeakPolarHBondContact O-CD1 3.46Å; H445-Y447 WeakPolarHBondContact O-CE1 3.15Å
448	Y	49.7	Very low	44.6	Very low	134 Å²	134	112.2 Å²	112.2	53%	0.525	55%	0.549	S	S	.	.			trans	-75.9	148.8	-179.9	-80.6	-75.4	0	0	0	111.2	D438 Y442 S450	D438-Y448 HydrophobicContact CB-CD1 4.43Å; Y442-Y448 HydrophobicContact CD2-CD1 4.13Å; Y442-Y448 AromaticContact CD2-CD2 3.28Å; Y442-Y448 HydrophobicContact CD2-CD2 3.28Å; Y442-Y448 HydrophobicContact CD2-CE1 4.19Å; Y442-Y448 AromaticContact CD2-CE2 3.35Å; Y442-Y448 HydrophobicContact CD2-CE2 3.35Å; Y442-Y448 AromaticContact CD2-CG 3.69Å; Y442-Y448 HydrophobicContact CD2-CG 3.69Å; Y442-Y448 AromaticContact CD2-CZ 3.82Å; Y442-Y448 AromaticContact CE2-CD2 3.74Å; Y442-Y448 HydrophobicContact CE2-CD2 3.74Å; Y442-Y448 AromaticContact CE2-CE2 3.7Å; Y442-Y448 HydrophobicContact CE2-CE2 3.7Å; Y442-Y448 HydrophobicContact CG-CD1 4.34Å; Y442-Y448 HydrophobicContact CG-CD2 4.14Å; Y442-Y448 HydrophobicContact CG-CE1 4.11Å; Y442-Y448 AromaticContact CG-CE2 3.89Å; Y442-Y448 HydrophobicContact CG-CE2 3.89Å; Y442-Y448 HydrophobicContact CG-CG 4.35Å; Y442-Y448 AromaticContact CG-CZ 3.87Å; Y448-S450 PolarHBondContact O-N 3.08Å
449	P	57.6	Low	43.3	Very low	33 Å²	33	117.9 Å²	117.9	21%	0.214	58%	0.579	C	S	.	*			trans	-65.4	126.3	-178.1	25.3	-29.4	0	0	0	110.7	D438 F441 K451	D438-P449 HydrophobicContact CB-CG 4.09Å; D438-P449 VanDerWaalsContact CG-CG 3.49Å; D438-P449 WeakPolarHBondContact OD1-CG 3.49Å; F441-P449 HydrophobicContact CB-CG 4.28Å; F441-P449 HydrophobicContact CD1-CB 3.83Å; F441-P449 HydrophobicContact CD1-CG 4.06Å; F441-P449 HydrophobicContact CD2-CB 4.24Å; F441-P449 HydrophobicContact CE1-CB 3.95Å; F441-P449 HydrophobicContact CE2-CB 4.35Å; F441-P449 HydrophobicContact CG-CB 4Å; F441-P449 HydrophobicContact CG-CG 4.09Å; F441-P449 HydrophobicContact CZ-CB 4.21Å; P449-K451 PolarHBondContact O-N 3.37Å
450	S	51.9	Low	42.3	Very low	113 Å²	113	121 Å²	121	79%	0.79	60%	0.597	S	S	*	*	S	Bend	trans	-70.1	-8.2	-166.8	-38.4	0	0	0	0	115.2	Y448	Y448-S450 PolarHBondContact O-N 3.08Å
451	K	49.2	Very low	41.4	Very low	183 Å²	183	125.2 Å²	125.2	80%	0.796	62%	0.618	S	S	*	*	S	Bend	trans	-100.3	97.8	179.1	-68.7	-174.7	178.5	-176.7	0	109.2	P449 R453	P449-K451 PolarHBondContact O-N 3.37Å; K451-R453 PolarHBondContact O-N 3.1Å
452	I	49	Very low	40.5	Very low	153 Å²	153	127.7 Å²	127.7	79%	0.785	64%	0.638	S	S	*	*			trans	-52.7	114.3	165.9	-61.6	170.5	0	0	0	107.5	K454	I452-K454 VanDerWaalsContact C-N 3.3Å; I452-K454 PolarHBondContact O-N 2.98Å
453	R	46.3	Very low	39.6	Very low	104 Å²	104	131.2 Å²	131.2	39%	0.392	66%	0.658	S	S	.	*			trans	-67	91.3	172.1	-53.6	-179.6	-155.6	-153.9	0.4	106.5	D434 D437 D438 K451	D434-R453 WeakPolarHBondContact OD1-CD 3.33Å; D434-R453 IonicContact OD1-CZ 2.79Å; D434-R453 IonicContact OD1-NE 2.79Å; D434-R453 IonicContact OD1-NH1 3.45Å; D434-R453 PolarHBondContact OD1-NH1 2.8Å; D437-R453 VanDerWaalsContact CB-NH2 3.32Å; D437-R453 IonicContact OD2-NH1 3.13Å; D437-R453 PolarHBondContact OD2-NH1 3.17Å; D437-R453 IonicContact OD2-NH2 2.65Å; D438-R453 IonicContact OD1-CZ 3.17Å; D438-R453 IonicContact OD1-NE 2.74Å; D438-R453 PolarHBondContact OD1-NE 3.33Å; D438-R453 IonicContact OD1-NH2 2.73Å; D438-R453 PolarHBondContact OD1-NH2 2.71Å; K451-R453 PolarHBondContact O-N 3.1Å
454	K	36.6	Very low	38.9	Very low	176 Å²	176	130.4 Å²	130.4	77%	0.765	66%	0.663	S	S	*	*			trans	-59.5	131.7	176.9	-78.7	-168.3	173.7	-170.7	0	108.4	I452 D456	I452-K454 VanDerWaalsContact C-N 3.3Å; I452-K454 PolarHBondContact O-N 2.98Å; K454-D456 PolarHBondContact O-N 3.34Å
455	P	37.5	Very low	38.2	Very low	105 Å²	105	128.8 Å²	128.8	68%	0.682	67%	0.671	S	S	*	*			trans	-66.4	128	164.6	29.4	-31.7	0	0	0	107.8	D457	P455-D457 PolarHBondContact O-N 3.38Å; P455-D457 VanDerWaalsContact O-N 3.16Å
456	D	37.5	Very low	37.2	Very low	101 Å²	101	129.4 Å²	129.4	54%	0.54	68%	0.684	S	S	.	*			trans	-75.6	98.3	167.2	-71.3	-51.1	0	0	0	107.6	K454 L458	K454-D456 PolarHBondContact O-N 3.34Å; D456-L458 PolarHBondContact O-N 2.86Å
457	D	33.3	Very low	36.4	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	70%	0.695	S	S	*	*			trans	-56.7	129.4	173.9	-77.1	-47.8	0	0	0	110.1	P455 N459	P455-D457 PolarHBondContact O-N 3.38Å; P455-D457 VanDerWaalsContact O-N 3.16Å; D457-N459 PolarHBondContact O-N 3.49Å
458	L	34	Very low	35.2	Very low	160 Å²	160	132.7 Å²	132.7	84%	0.838	70%	0.702	S	S	*	*			trans	-63.6	102.6	176.7	-88.2	72.3	0	0	0	110.1	D456	D456-L458 PolarHBondContact O-N 2.86Å
459	N	27.7	Very low	34	Very low	156 Å²	156	135.3 Å²	135.3	83%	0.834	72%	0.716	S	S	*	*			trans	-138.5	114	161.4	-147.7	-16.3	0	0	0	111.1	D457 K461	D457-N459 PolarHBondContact O-N 3.49Å; N459-K461 PolarHBondContact O-N 2.95Å
460	N	27.5	Very low	32.4	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	74%	0.735	S	S	*	*			trans	-71.8	119.5	-170.5	-65.1	-55.4	0	0	0	111.6
461	K	26	Very low	31.1	Very low	204 Å²	204	142.1 Å²	142.1	89%	0.887	74%	0.739	S	S	*	*			trans	-151.8	135.3	143.6	-116.3	162.1	-173	176.8	0	112.5	N459	N459-K461 PolarHBondContact O-N 2.95Å
462	T	25.1	Very low	29.9	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	73%	0.734	S	S	*	*			trans	-71.1	162.2	-175.6	5.8	0	0	0	0	113.1
463	E	24.5	Very low	28.7	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	73%	0.731	S	S	*	*			trans	70.7	141.6	156.4	-70.9	148.3	-129	0	0	116.8
464	S	25.8	Very low	27.6	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	74%	0.744	S	S	*	*			cis	-157.5	140.4	4.5	49.5	0	0	0	0	114.3
465	V	25.1	Very low	26.9	Very low	130 Å²	130	141.8 Å²	141.8	79%	0.788	75%	0.748	S	S	*	*				57	144.3	128.4	178.7	0	0	0	0	121.9
466	S	25.7	Very low	26.3	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	75%	0.748	S	S	*	*			trans	79.3	114.6	163.6	70.2	0	0	0	0	117.1
467	N	23	Very low	25.5	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	75%	0.753	S	S	*	*				79.8	140	75.6	-70.7	-31.4	0	0	0	112.9
468	T	27.4	Very low	25	Very low	107 Å²	107	141.6 Å²	141.6	66%	0.656	75%	0.753	S	S	*	*			cis	-159	166.5	11.6	-6	0	0	0	0	112.3
469	K	24.1	Very low	24.4	Very low	189 Å²	189	139.5 Å²	139.5	82%	0.822	75%	0.751	S	S	*	*			trans	24	147.4	141.5	-70.2	165.7	-175.1	174.4	0	120.2
470	S	23.9	Very low	24.2	Very low	86 Å²	86	136.4 Å²	136.4	60%	0.601	74%	0.742	S	S	*	*			cis	168.5	163.4	-5.3	58.5	0	0	0	0	108.7
471	K	24.2	Very low	23.9	Very low	203 Å²	203	138 Å²	138	88%	0.883	74%	0.744	S	S	*	*			trans	66.2	162.7	162.6	-63.5	176.9	-179.1	-179	0	116.2
472	A	23.2	Very low	23.7	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	74%	0.74	S	S	*	*			cis	-168.1	165.8	-33.5	0	0	0	0	0	110.4
473	H	24.5	Very low	23.6	Very low	159 Å²	159	132 Å²	132	74%	0.736	74%	0.739	S	S	*	*			trans	75.8	124.7	150.4	-91.8	-4.2	0	0	0	122.5
474	K	23.2	Very low	23.5	Very low	150 Å²	150	130.7 Å²	130.7	65%	0.652	74%	0.737	S	S	*	*				83.7	107.8	126.8	-71.9	-176.1	177	-179.1	0	122
475	Y	21.3	Very low	23.5	Very low	217 Å²	217	133.3 Å²	133.3	85%	0.851	74%	0.743	S	S	*	*				72.4	136.7	129.2	-74.3	-68.4	0	0	0	123
476	S	24.6	Very low	23.8	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	74%	0.743	S	S	*	*			trans	91.4	97.7	142.6	-123.9	0	0	0	0	121.1
477	T	22.1	Very low	24.5	Very low	106 Å²	106	134.9 Å²	134.9	65%	0.65	75%	0.752	S	S	*	*				59.1	111	122.9	57.1	0	0	0	0	121.4
478	N	21.5	Very low	24.4	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	75%	0.749	S	S	*	*				88.1	134.5	125.9	-60.8	3.7	0	0	0	120.5
479	S	22.9	Very low	24.2	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	76%	0.758	S	S	*	*			trans	68.8	152.7	158.2	70.7	0	0	0	0	118.5
480	S	22.4	Very low	24.1	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	76%	0.755	S	S	*	*			cis	-172.2	148.9	-34.7	53.9	0	0	0	0	110.5
481	H	21.5	Very low	24	Very low	182 Å²	182	136 Å²	136	84%	0.843	76%	0.761	S	S	*	*			trans	68.2	135.7	163	-68.7	-75	0	0	0	120.4
482	A	21.3	Very low	23.9	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	75%	0.747	S	S	*	*			trans	67	154.3	154.7	0	0	0	0	0	117.7
483	S	23.8	Very low	23.8	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	75%	0.753	S	S	*	*			cis	-146.6	158.1	2	-33.1	0	0	0	0	112.5
484	D	21.8	Very low	23.7	Very low	150 Å²	150	135 Å²	135	80%	0.802	75%	0.752	S	S	*	*			trans	62.5	165.9	141.5	-57.7	-34.5	0	0	0	124.6
485	D	25.2	Very low	23.7	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	76%	0.756	S	S	*	*			trans	68.9	100.1	166	-68.6	-17.8	0	0	0	123.5
486	T	32	Very low	23.7	Very low	128 Å²	128	127.2 Å²	127.2	79%	0.785	75%	0.747	S	S	*	*			trans	-61.4	168.5	144.6	62.1	0	0	0	0	112
487	P	39.8	Very low	23.6	Very low	128 Å²	128	125 Å²	125	83%	0.831	74%	0.74	S	S	*	*			cis	-146.2	-170.4	24.6	42.7	-21.9	0	0	0	116.4
488	G	22.7	Very low	23.8	Very low	71 Å²	71	127.4 Å²	127.4	73%	0.732	75%	0.748	S	S	*	*			trans	155.9	60.1	158.5	0	0	0	0	0	122.6
489	K	21.7	Very low	24.2	Very low	191 Å²	191	124.4 Å²	124.4	83%	0.83	74%	0.738	S	S	*	*			trans	34.8	149.3	145.4	-75.8	-179.1	175.8	175.3	0	124.5
490	M	22.7	Very low	24.5	Very low	154 Å²	154	123.4 Å²	123.4	76%	0.759	72%	0.717	S	S	*	*			trans	80.7	119.9	145.9	-81.4	164.2	162	0	0	118.1
491	N	22.1	Very low	25.2	Very low	137 Å²	137	123.3 Å²	123.3	73%	0.733	71%	0.714	S	S	*	*				77.3	142.3	81.5	-80.9	-1.5	0	0	0	113.2
492	C	21	Very low	25.7	Very low	88 Å²	88	116 Å²	116	60%	0.595	68%	0.681	S	S	*	*			cis	-164.2	171.7	-0.2	-130.7	0	0	0	0	110.7
493	Q	21.5	Very low	26.1	Very low	173 Å²	173	114.8 Å²	114.8	81%	0.808	66%	0.66	S	S	*	*			trans	67	163.3	150.3	-71.4	167.1	9.1	0	0	119.2
494	K	22.3	Very low	26.7	Very low	162 Å²	162	115.1 Å²	115.1	70%	0.704	66%	0.658	S	S	*	*			cis	-170.9	167.4	-41.8	-139.8	-176.2	165.7	-157.3	0	112.3
495	D	22.9	Very low	27.3	Very low	138 Å²	138	108.4 Å²	108.4	74%	0.738	62%	0.622	S	S	*	*			trans	64.8	164.9	161.5	-50.9	-36.8	0	0	0	116.8
496	G	22.1	Very low	27.5	Very low	64 Å²	64	103.5 Å²	103.5	66%	0.66	60%	0.603	S	S	*	*			cis	-171.5	174	-5.4	0	0	0	0	0	113.6
497	G	23	Very low	27.6	Very low	53 Å²	53	101.3 Å²	101.3	55%	0.546	58%	0.584	S	S	.	*			trans	76.5	151	170.5	0	0	0	0	0	118.9	R132	R132-G497 VanDerWaalsContact CZ-C 3.49Å; R132-G497 PolarHBondContact NH1-O 3.25Å; R132-G497 VanDerWaalsContact NH2-C 3.28Å; R132-G497 PolarHBondContact NH2-O 2.85Å
498	L	26.7	Very low	27.4	Very low	156 Å²	156	99.8 Å²	99.8	82%	0.817	57%	0.569	S	S	*	*			cis	-140.6	-127.3	-13.9	-137.6	175.9	0	0	0	111.7	R132	R132-L498 VanDerWaalsContact NH1-N 3.17Å; R132-L498 PolarHBondContact NH1-O 3.03Å
499	S	28.6	Very low	27.9	Very low	81 Å²	81	102.1 Å²	102.1	57%	0.566	56%	0.564	S	S	*	*			trans	-163.9	171.2	178.8	-87.3	0	0	0	0	114.4
500	R	30.1	Very low	28.3	Very low	94 Å²	94	95.8 Å²	95.8	36%	0.355	54%	0.539	S	S	.	.			trans	-134.2	150.5	-157.8	-55	178.4	126.9	-69.2	-41.3	117.4	Y423 M424 E428	Y423-R500 VanDerWaalsContact C-NH1 3.31Å; Y423-R500 PolarHBondContact O-NH1 3.24Å; Y423-R500 PolarHBondContact O-NH2 3.29Å; M424-R500 VanDerWaalsContact CA-NH2 3.35Å; E428-R500 VanDerWaalsContact CD-NE 3.32Å; E428-R500 IonicContact OE1-CZ 2.66Å; E428-R500 IonicContact OE1-NE 3.59Å; E428-R500 PolarHBondContact OE1-NE 2.91Å; E428-R500 IonicContact OE1-NH2 3.9Å; E428-R500 IonicContact OE2-CZ 3.44Å; E428-R500 IonicContact OE2-NE 2.7Å; E428-R500 PolarHBondContact OE2-NE 2.75Å; E428-R500 IonicContact OE2-NH2 2.63Å; E428-R500 PolarHBondContact OE2-NH2 3.48Å
501	P	35.8	Very low	29	Very low	90 Å²	90	89.4 Å²	89.4	58%	0.584	51%	0.511	S	S	*	.			trans	-40.5	-166.3	152.3	40.1	-18.2	0	0	0	123.1	P215	P215-P501 HydrophobicContact CG-CG 4.4Å
502	N	32.8	Very low	29.7	Very low	30 Å²	30	86.4 Å²	86.4	16%	0.16	51%	0.505	C	S	.	.			trans	-145.9	147.4	-156.4	-67.8	-19.9	0	0	0	111	Q206 S207 S208	Q206-N502 PolarHBondContact O-OD1 3.39Å; S207-N502 VanDerWaalsContact C-CB 3.48Å; S207-N502 VanDerWaalsContact C-CG 3.43Å; S207-N502 VanDerWaalsContact C-ND2 3.31Å; S207-N502 PolarHBondContact N-OD1 3.12Å; S207-N502 PolarHBondContact O-ND2 3.28Å; S208-N502 PolarHBondContact OG-ND2 2.7Å
503	M	29.7	Very low	30.3	Very low	68 Å²	68	86.3 Å²	86.3	34%	0.335	51%	0.505	S	S	.	.			cis	87.7	159.5	10.3	-51.6	-151.5	78.7	0	0	119.1	S207 S208 T209 E384	S207-M503 CarbonylContact C-O 3.55Å; S207-M503 WeakPolarHBondContact CA-O 3.4Å; S207-M503 WeakPolarHBondContact CB-O 3.43Å; S208-M503 PolarHBondContact N-O 3.31Å; T209-M503 PolarHBondContact N-O 3.28Å; T209-M503 VanDerWaalsContact N-O 3.12Å; E384-M503 WeakPolarHBondContact OE2-CE 3.34Å
504	V	35.9	Very low	30.8	Very low	103 Å²	103	82 Å²	82	62%	0.624	49%	0.487	S	S	*	.			trans	-143	153	-176.8	173.7	0	0	0	0	109.2	T209	T209-V504 HydrophobicContact CG2-CG2 4.28Å
505	T	33.8	Very low	31.2	Very low	10 Å²	10	82.3 Å²	82.3	6%	0.061	49%	0.491	C	S	.	.			trans	-111.4	158.2	-165.6	10.6	0	0	0	0	120.1	Q206 S207 E507 D508	Q206-T505 HydrophobicContact CB-CG2 4.32Å; Q206-T505 HydrophobicContact CG-CG2 3.34Å; S207-T505 PolarHBondContact OG-OG1 2.96Å; S207-T505 VanDerWaalsContact OG-OG1 3.13Å; T505-E507 WeakPolarHBondContact CB-OE2 3.22Å; T505-E507 VanDerWaalsContact CG2-OE2 3.24Å; T505-E507 WeakPolarHBondContact CG2-OE2 3.45Å; T505-D508 PolarHBondContact OG1-OD2 3.12Å
506	A	31	Very low	31.4	Very low	54 Å²	54	76.2 Å²	76.2	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-69.8	-28.9	173.2	0	0	0	0	0	114.5	D508 L509 L510	A506-D508 VanDerWaalsContact C-N 3.31Å; A506-D508 PolarHBondContact O-N 3.39Å; A506-L509 PolarHBondContact O-N 3.04Å; A506-L510 HydrophobicContact CB-CD1 4.4Å; A506-L510 WeakPolarHBondContact O-CD1 3.37Å; A506-L510 WeakPolarHBondContact O-CG 3.46Å; A506-L510 PolarHBondContact O-N 3.1Å
507	E	32.4	Very low	32.1	Very low	82 Å²	82	76.4 Å²	76.4	38%	0.383	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-40.2	-178.9	-72	89.3	-155.7	0	0	112.1	S204 Q206 T505 L510 A511	S204-E507 PolarHBondContact OG-OE1 2.77Å; Q206-E507 PolarHBondContact NE2-OE2 2.88Å; T505-E507 WeakPolarHBondContact CB-OE2 3.22Å; T505-E507 VanDerWaalsContact CG2-OE2 3.24Å; T505-E507 WeakPolarHBondContact CG2-OE2 3.45Å; E507-L510 PolarHBondContact O-N 3.42Å; E507-A511 PolarHBondContact O-N 3.43Å
508	D	36.6	Very low	32.8	Very low	96 Å²	96	78.7 Å²	78.7	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-39.6	179.2	-55.6	-68.1	0	0	0	112.2	T505 A506 A511 A512	T505-D508 PolarHBondContact OG1-OD2 3.12Å; A506-D508 VanDerWaalsContact C-N 3.31Å; A506-D508 PolarHBondContact O-N 3.39Å; D508-A511 PolarHBondContact O-N 2.99Å; D508-A512 PolarHBondContact O-N 3.46Å
509	L	33.9	Very low	33	Very low	120 Å²	120	78.8 Å²	78.8	63%	0.628	45%	0.452	S	S	*	.	H	α-helix	trans	-68.2	-34.2	176.2	-60.7	176.4	0	0	0	112.3	A506 S513	A506-L509 PolarHBondContact O-N 3.04Å; L509-S513 WeakPolarHBondContact O-CB 3.15Å; L509-S513 PolarHBondContact O-N 3.47Å; L509-S513 PolarHBondContact O-OG 3.31Å
510	L	29.1	Very low	33.4	Very low	59 Å²	59	84.3 Å²	84.3	31%	0.309	47%	0.469	S	S	.	.	H	α-helix	trans	-72.2	-36.8	175.5	-76.4	155.1	0	0	0	111.9	Y278 A506 E507 S513 L514	Y278-L510 HydrophobicContact CD1-CB 4.42Å; Y278-L510 HydrophobicContact CE1-CB 4Å; Y278-L510 HydrophobicContact CE1-CD1 3.82Å; Y278-L510 HydrophobicContact CE1-CD2 3.98Å; Y278-L510 HydrophobicContact CE1-CG 4.14Å; A506-L510 HydrophobicContact CB-CD1 4.4Å; A506-L510 WeakPolarHBondContact O-CD1 3.37Å; A506-L510 WeakPolarHBondContact O-CG 3.46Å; A506-L510 PolarHBondContact O-N 3.1Å; E507-L510 PolarHBondContact O-N 3.42Å; L510-S513 PolarHBondContact O-N 3.34Å; L510-L514 WeakPolarHBondContact O-CG 3.4Å; L510-L514 PolarHBondContact O-N 2.99Å
511	A	36.8	Very low	33.3	Very low	20 Å²	20	86.2 Å²	86.2	17%	0.165	49%	0.486	C	S	.	.	H	α-helix	trans	-65.4	-40.5	172.7	0	0	0	0	0	112.2	E507 D508 T516	E507-A511 PolarHBondContact O-N 3.43Å; D508-A511 PolarHBondContact O-N 2.99Å; A511-T516 VanDerWaalsContact CA-OG1 3.25Å; A511-T516 WeakPolarHBondContact CA-OG1 3.42Å; A511-T516 PolarHBondContact O-N 2.81Å; A511-T516 PolarHBondContact O-OG1 2.96Å
512	A	36.7	Very low	32.8	Very low	73 Å²	73	86.5 Å²	86.5	60%	0.603	49%	0.49	S	S	*	.	H	α-helix	trans	-63.6	-43.7	174.7	0	0	0	0	0	112.4	D508 L514 H515	D508-A512 PolarHBondContact O-N 3.46Å; A512-L514 PolarHBondContact O-N 3.35Å; A512-H515 PolarHBondContact O-N 3.1Å
513	S	33.6	Very low	32.4	Very low	86 Å²	86	90.5 Å²	90.5	60%	0.601	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-26.5	-177.8	-60.4	0	0	0	0	113.8	L509 L510	L509-S513 WeakPolarHBondContact O-CB 3.15Å; L509-S513 PolarHBondContact O-N 3.47Å; L509-S513 PolarHBondContact O-OG 3.31Å; L510-S513 PolarHBondContact O-N 3.34Å
514	L	33.2	Very low	32.1	Very low	83 Å²	83	94.7 Å²	94.7	44%	0.435	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	10.5	-171.5	-62.4	174.5	0	0	0	113.9	Y278 L510 A512 T516	Y278-L514 HydrophobicContact CD1-CD1 4.07Å; Y278-L514 HydrophobicContact CG-CD1 4.1Å; Y278-L514 WeakPolarHBondContact O-CD1 2.94Å; L510-L514 WeakPolarHBondContact O-CG 3.4Å; L510-L514 PolarHBondContact O-N 2.99Å; A512-L514 PolarHBondContact O-N 3.35Å; L514-T516 VanDerWaalsContact C-N 3.33Å; L514-T516 HydrophobicContact CB-CG2 4.27Å; L514-T516 PolarHBondContact O-N 3.37Å
515	H	30.5	Very low	31.7	Very low	168 Å²	168	95.2 Å²	95.2	78%	0.778	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	41.1	178	-61.9	67.5	0	0	0	113.1	A512	A512-H515 PolarHBondContact O-N 3.1Å
516	T	27.7	Very low	31.4	Very low	10 Å²	10	101 Å²	101	6%	0.061	58%	0.581	C	S	.	*			trans	-112.7	109.8	-175.1	50.6	0	0	0	0	111	Y280 T281 A511 L514 S518	Y280-T516 VanDerWaalsContact C-CG2 3.42Å; Y280-T516 VanDerWaalsContact CB-CB 3.46Å; Y280-T516 WeakPolarHBondContact O-CB 3.17Å; T281-T516 HydrophobicContact CG2-CG2 4.26Å; A511-T516 VanDerWaalsContact CA-OG1 3.25Å; A511-T516 WeakPolarHBondContact CA-OG1 3.42Å; A511-T516 PolarHBondContact O-N 2.81Å; A511-T516 PolarHBondContact O-OG1 2.96Å; L514-T516 VanDerWaalsContact C-N 3.33Å; L514-T516 HydrophobicContact CB-CG2 4.27Å; L514-T516 PolarHBondContact O-N 3.37Å; T516-S518 PolarHBondContact O-N 2.92Å
517	P	36.7	Very low	31	Very low	68 Å²	68	107.6 Å²	107.6	44%	0.442	60%	0.602	S	S	.	*			trans	-67.3	118.9	-170.1	-20.1	29.3	0	0	0	114.8	T282	T282-P517 WeakPolarHBondContact OG1-CB 3.4Å; T282-P517 VanDerWaalsContact OG1-CD 3.28Å; T282-P517 WeakPolarHBondContact OG1-CD 2.95Å; T282-P517 PolarHBondContact OG1-O 3.08Å
518	S	37.2	Very low	30.8	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	63%	0.627	S	S	*	*			trans	-85.6	113.1	166.5	43.4	0	0	0	0	110.6	T516	T516-S518 PolarHBondContact O-N 2.92Å
519	H	30.4	Very low	31	Very low	159 Å²	159	113.8 Å²	113.8	74%	0.736	64%	0.638	S	S	*	*			trans	-91.1	120.3	164.2	-84.2	-95.3	0	0	0	109.3
520	H	36.9	Very low	30.6	Very low	197 Å²	197	114.8 Å²	114.8	91%	0.912	65%	0.649	S	S	*	*			trans	-137.9	130.2	154.3	-124.9	-75.9	0	0	0	109.5
521	D	28.7	Very low	30.4	Very low	134 Å²	134	116.6 Å²	116.6	72%	0.717	67%	0.667	S	S	*	*			trans	-119.2	174.6	-162.6	-143.4	-37.1	0	0	0	111.3
522	S	25.7	Very low	29.8	Very low	95 Å²	95	123.4 Å²	123.4	66%	0.664	70%	0.7	S	S	*	*			trans	84.2	128.1	155.1	73	0	0	0	0	122.6
523	T	24.5	Very low	29.2	Very low	115 Å²	115	126.9 Å²	126.9	71%	0.706	71%	0.714	S	S	*	*			trans	77.4	88.5	138.4	43.9	0	0	0	0	122.9
524	I	23.7	Very low	28.7	Very low	155 Å²	155	134.6 Å²	134.6	80%	0.795	73%	0.73	S	S	*	*				49.5	119.8	107.9	-58.8	167.1	0	0	0	118.6
525	P	27.7	Very low	28.2	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	75%	0.748	S	S	*	*			trans	-89	165.5	174.2	37.1	-36	0	0	0	114.7
526	P	26.1	Very low	27.9	Very low	132 Å²	132	132.8 Å²	132.8	86%	0.857	74%	0.743	S	S	*	*			trans	-88.4	175	-174.8	36	-37.3	0	0	0	116
527	Q	23.2	Very low	27.8	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	78%	0.778	S	S	*	*			trans	-81.1	151.2	-167.6	-56.8	159.1	-15.4	0	0	115.1
528	Q	27.8	Very low	27.5	Very low	194 Å²	194	144.1 Å²	144.1	91%	0.907	80%	0.799	S	S	*	*			trans	-151.9	149.6	136.9	-113.7	-178.5	6.9	0	0	110.9
529	P	41.3	Very low	26.9	Very low	114 Å²	114	146.4 Å²	146.4	74%	0.74	80%	0.804	S	S	*	*			trans	-118.8	139.5	-167.6	38.2	-25.9	0	0	0	115.9
530	T	26.1	Very low	26.8	Very low	141 Å²	141	148 Å²	148	87%	0.865	81%	0.808	S	S	*	*			trans	-154.2	131.7	154	7.4	0	0	0	0	113.8
531	S	23.5	Very low	26.3	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	81%	0.806	S	S	*	*			trans	10.7	115.5	156	55.4	0	0	0	0	122
532	L	24.4	Very low	26.3	Very low	163 Å²	163	146.2 Å²	146.2	85%	0.853	81%	0.808	S	S	*	*				40.2	111.7	121.2	-66.9	161.2	0	0	0	119.8
533	T	24.6	Very low	26.5	Very low	146 Å²	146	146.1 Å²	146.1	90%	0.896	81%	0.807	S	S	*	*				-171.7	164.7	102.8	21.1	0	0	0	0	112.7
534	R	22.2	Very low	27.1	Very low	249 Å²	249	145.2 Å²	145.2	94%	0.94	81%	0.806	S	S	*	*			trans	-72.3	140	175.8	-70.5	166.2	158.8	168.5	-8.9	111.4
535	S	23.9	Very low	27.5	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	80%	0.799	S	S	*	*				-174.1	151.6	109	-160.7	0	0	0	0	113.5
536	S	24.5	Very low	27.7	Very low	96 Å²	96	145.4 Å²	145.4	67%	0.671	80%	0.798	S	S	*	*			trans	40.9	116.6	155.7	-168.3	0	0	0	0	121.3
537	N	25.8	Very low	28.2	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	79%	0.79	S	S	*	*			trans	13.8	121.4	135.5	-57.8	-14.6	0	0	0	118.2
538	N	28.3	Very low	28.8	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	77%	0.769	S	S	*	*			trans	-142	152.2	142.2	-118.8	-39.6	0	0	0	111.6
539	N	26.4	Very low	29.1	Very low	148 Å²	148	136 Å²	136	79%	0.791	75%	0.751	S	S	*	*			trans	-86.9	161.6	-159	-88.3	-50.5	0	0	0	115.3	I541	N539-I541 PolarHBondContact O-N 2.88Å
540	K	26.8	Very low	28.7	Very low	192 Å²	192	135 Å²	135	84%	0.835	74%	0.74	S	S	*	*			trans	-47.5	121.3	169.1	-63.6	169.3	178.2	174.2	0	111.5
541	I	26.6	Very low	29.3	Very low	168 Å²	168	133.5 Å²	133.5	86%	0.862	73%	0.726	S	S	*	*			trans	-113.7	78.3	154.8	-55.3	-179	0	0	0	107.2	N539	N539-I541 PolarHBondContact O-N 2.88Å
542	V	28.9	Very low	30	Very low	127 Å²	127	132.9 Å²	132.9	77%	0.77	72%	0.718	S	S	*	*			trans	-81.7	128	162.2	176	0	0	0	0	106.5	S544	V542-S544 PolarHBondContact O-N 2.85Å
543	S	30.6	Very low	30.4	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	70%	0.699	S	S	*	*			trans	-66.6	123.2	-170.5	44	0	0	0	0	112.4	N545	S543-N545 VanDerWaalsContact C-N 3.26Å; S543-N545 PolarHBondContact O-N 2.65Å
544	S	36.2	Very low	30.8	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-13.5	-171.4	43.7	0	0	0	0	115.3	V542 Q546 S548	V542-S544 PolarHBondContact O-N 2.85Å; S544-Q546 PolarHBondContact O-N 2.87Å; S544-S548 PolarHBondContact O-N 2.75Å
545	N	32.8	Very low	31.6	Very low	122 Å²	122	117.9 Å²	117.9	65%	0.652	66%	0.658	S	S	*	*	H	α-helix	trans	-64.7	-31.7	-172.9	-78.3	-7.5	0	0	0	114.4	S543 S548 I549	S543-N545 VanDerWaalsContact C-N 3.26Å; S543-N545 PolarHBondContact O-N 2.65Å; N545-S548 VanDerWaalsContact O-CB 3.3Å; N545-S548 WeakPolarHBondContact O-CB 3.34Å; N545-S548 PolarHBondContact O-N 2.87Å; N545-I549 PolarHBondContact O-N 3.14Å
546	Q	32.1	Very low	32.1	Very low	152 Å²	152	116 Å²	116	71%	0.71	64%	0.642	S	S	*	*	H	α-helix	trans	-81.7	-22	-171.2	-148.5	157.1	12.4	0	0	113.7	S544	S544-Q546 PolarHBondContact O-N 2.87Å
547	H	35.2	Very low	32.4	Very low	149 Å²	149	116.6 Å²	116.6	69%	0.69	64%	0.637	S	S	*	*	H	α-helix	trans	-80.1	-27.2	165.2	-77.1	3.5	0	0	0	112.5	N551	H547-N551 WeakPolarHBondContact O-CB 3.37Å; H547-N551 VanDerWaalsContact O-CG 3.28Å; H547-N551 PolarHBondContact O-N 2.72Å; H547-N551 VanDerWaalsContact O-N 3.13Å; H547-N551 PolarHBondContact O-ND2 3.44Å
548	S	37.3	Very low	32.8	Very low	66 Å²	66	112.1 Å²	112.1	46%	0.462	62%	0.621	S	S	.	*	H	α-helix	trans	-58.6	-52.4	174.8	-173	0	0	0	0	111.5	S544 N545 N550 N551 V552	S544-S548 PolarHBondContact O-N 2.75Å; N545-S548 VanDerWaalsContact O-CB 3.3Å; N545-S548 WeakPolarHBondContact O-CB 3.34Å; N545-S548 PolarHBondContact O-N 2.87Å; S548-N550 PolarHBondContact O-N 3.2Å; S548-N551 PolarHBondContact O-N 2.96Å; S548-V552 WeakPolarHBondContact O-CG2 3.28Å; S548-V552 PolarHBondContact O-N 3.39Å
549	I	34.1	Very low	33.3	Very low	103 Å²	103	108.4 Å²	108.4	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-61.9	-46.7	-175.4	-61.1	174.5	0	0	0	111.9	N545 N551 V552 I553	N545-I549 PolarHBondContact O-N 3.14Å; I549-N551 VanDerWaalsContact C-N 3.34Å; I549-N551 PolarHBondContact O-N 3Å; I549-V552 PolarHBondContact O-N 2.98Å; I549-I553 HydrophobicContact CG2-CD1 3.89Å; I549-I553 WeakPolarHBondContact O-CG1 3.47Å; I549-I553 PolarHBondContact O-N 3.38Å
550	N	31.8	Very low	33.5	Very low	95 Å²	95	107.1 Å²	107.1	51%	0.508	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-36.1	179.6	-74.2	-2	0	0	0	112.4	S548 N554	S548-N550 PolarHBondContact O-N 3.2Å; N550-N554 WeakPolarHBondContact O-CB 3.41Å; N550-N554 PolarHBondContact O-N 2.75Å; N550-N554 VanDerWaalsContact O-N 3.09Å; N550-N554 PolarHBondContact O-ND2 3.31Å
551	N	38.3	Very low	33.9	Very low	108 Å²	108	101.4 Å²	101.4	58%	0.578	59%	0.585	S	S	*	*	H	α-helix	trans	-69.3	-37.4	174.7	-73.7	-9.9	0	0	0	111.9	H547 S548 I549 A555	H547-N551 WeakPolarHBondContact O-CB 3.37Å; H547-N551 VanDerWaalsContact O-CG 3.28Å; H547-N551 PolarHBondContact O-N 2.72Å; H547-N551 VanDerWaalsContact O-N 3.13Å; H547-N551 PolarHBondContact O-ND2 3.44Å; S548-N551 PolarHBondContact O-N 2.96Å; I549-N551 VanDerWaalsContact C-N 3.34Å; I549-N551 PolarHBondContact O-N 3Å; N551-A555 WeakPolarHBondContact O-CB 3.16Å; N551-A555 PolarHBondContact O-N 3.33Å
552	V	38.7	Very low	34.3	Very low	84 Å²	84	97.8 Å²	97.8	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-63.6	-47.6	174.4	169.8	0	0	0	0	111.1	S548 I549 N554 A555 T556	S548-V552 WeakPolarHBondContact O-CG2 3.28Å; S548-V552 PolarHBondContact O-N 3.39Å; I549-V552 PolarHBondContact O-N 2.98Å; V552-N554 PolarHBondContact O-N 3.2Å; V552-A555 PolarHBondContact O-N 2.52Å; V552-T556 PolarHBondContact O-N 2.81Å; V552-T556 PolarHBondContact O-OG1 2.96Å
553	I	32.4	Very low	34.4	Very low	88 Å²	88	95.1 Å²	95.1	45%	0.451	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-47.4	179	-67.7	167.7	0	0	0	111.1	I549 T556 L557	I549-I553 HydrophobicContact CG2-CD1 3.89Å; I549-I553 WeakPolarHBondContact O-CG1 3.47Å; I549-I553 PolarHBondContact O-N 3.38Å; I553-T556 PolarHBondContact O-N 3.32Å; I553-L557 HydrophobicContact CG2-CD1 4.19Å; I553-L557 PolarHBondContact O-N 2.73Å
554	N	34.3	Very low	34.4	Very low	105 Å²	105	96.6 Å²	96.6	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-65.5	-38.8	178.2	-73.3	-24.3	0	0	0	112.2	N550 V552 A558	N550-N554 WeakPolarHBondContact O-CB 3.41Å; N550-N554 PolarHBondContact O-N 2.75Å; N550-N554 VanDerWaalsContact O-N 3.09Å; N550-N554 PolarHBondContact O-ND2 3.31Å; V552-N554 PolarHBondContact O-N 3.2Å; N554-A558 VanDerWaalsContact O-CB 3.29Å; N554-A558 WeakPolarHBondContact O-CB 3.06Å; N554-A558 PolarHBondContact O-N 3.43Å
555	A	38.1	Very low	34.1	Very low	51 Å²	51	102.2 Å²	102.2	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-65.5	-40.3	174.9	0	0	0	0	0	112.2	N551 V552 A558 T559	N551-A555 WeakPolarHBondContact O-CB 3.16Å; N551-A555 PolarHBondContact O-N 3.33Å; V552-A555 PolarHBondContact O-N 2.52Å; A555-A558 PolarHBondContact O-N 3.17Å; A555-T559 VanDerWaalsContact O-CB 3.31Å; A555-T559 WeakPolarHBondContact O-CB 3.47Å; A555-T559 PolarHBondContact O-N 3.47Å; A555-T559 PolarHBondContact O-OG1 2.06Å
556	T	35.6	Very low	33.9	Very low	76 Å²	76	107.4 Å²	107.4	47%	0.466	59%	0.585	S	S	.	*	H	α-helix	trans	-64.3	-44.9	176.7	-55.5	0	0	0	0	111.4	V552 I553 T559 L560	V552-T556 PolarHBondContact O-N 2.81Å; V552-T556 PolarHBondContact O-OG1 2.96Å; I553-T556 PolarHBondContact O-N 3.32Å; T556-T559 PolarHBondContact O-N 3.02Å; T556-L560 HydrophobicContact CG2-CD1 4.2Å; T556-L560 WeakPolarHBondContact O-CG 3.1Å; T556-L560 PolarHBondContact O-N 2.68Å
557	L	30.6	Very low	33.8	Very low	109 Å²	109	106.9 Å²	106.9	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-64.5	-42.9	176.1	-73	169.5	0	0	0	112.3	I553 T559 L560 A561	I553-L557 HydrophobicContact CG2-CD1 4.19Å; I553-L557 PolarHBondContact O-N 2.73Å; L557-T559 VanDerWaalsContact C-N 3.33Å; L557-T559 PolarHBondContact O-N 3.31Å; L557-L560 PolarHBondContact O-N 2.82Å; L557-A561 PolarHBondContact O-N 3.12Å; L557-A561 VanDerWaalsContact O-N 3.1Å
558	A	33.1	Very low	33.5	Very low	54 Å²	54	108 Å²	108	45%	0.446	60%	0.598	S	S	.	*	H	α-helix	trans	-64.3	-36.6	175.6	0	0	0	0	0	112.5	N554 A555 A561 S562	N554-A558 VanDerWaalsContact O-CB 3.29Å; N554-A558 WeakPolarHBondContact O-CB 3.06Å; N554-A558 PolarHBondContact O-N 3.43Å; A555-A558 PolarHBondContact O-N 3.17Å; A558-A561 PolarHBondContact O-N 2.79Å; A558-S562 VanDerWaalsContact O-CB 3.3Å; A558-S562 WeakPolarHBondContact O-CB 3.27Å; A558-S562 PolarHBondContact O-N 2.97Å; A558-S562 PolarHBondContact O-OG 3.44Å
559	T	39.1	Very low	33.3	Very low	90 Å²	90	110.5 Å²	110.5	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-67.1	-44.9	177	-57.1	0	0	0	0	111.1	A555 T556 L557 A561 S562 S563	A555-T559 VanDerWaalsContact O-CB 3.31Å; A555-T559 WeakPolarHBondContact O-CB 3.47Å; A555-T559 PolarHBondContact O-N 3.47Å; A555-T559 PolarHBondContact O-OG1 2.06Å; T556-T559 PolarHBondContact O-N 3.02Å; L557-T559 VanDerWaalsContact C-N 3.33Å; L557-T559 PolarHBondContact O-N 3.31Å; T559-A561 VanDerWaalsContact C-N 3.3Å; T559-A561 PolarHBondContact O-N 3.43Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 VanDerWaalsContact O-N 3.12Å; T559-S563 WeakPolarHBondContact O-CB 3.12Å; T559-S563 PolarHBondContact O-N 2.98Å; T559-S563 PolarHBondContact O-OG 3.35Å
560	L	31.9	Very low	33.3	Very low	121 Å²	121	114.7 Å²	114.7	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-63.6	-32.4	176.9	-73.1	167.8	0	0	0	113	T556 L557 S563	T556-L560 HydrophobicContact CG2-CD1 4.2Å; T556-L560 WeakPolarHBondContact O-CG 3.1Å; T556-L560 PolarHBondContact O-N 2.68Å; L557-L560 PolarHBondContact O-N 2.82Å; L560-S563 PolarHBondContact O-OG 3.06Å
561	A	34.2	Very low	33.2	Very low	72 Å²	72	119.5 Å²	119.5	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-73.2	-35.9	172.1	0	0	0	0	0	112.6	L557 A558 T559	L557-A561 PolarHBondContact O-N 3.12Å; L557-A561 VanDerWaalsContact O-N 3.1Å; A558-A561 PolarHBondContact O-N 2.79Å; T559-A561 VanDerWaalsContact C-N 3.3Å; T559-A561 PolarHBondContact O-N 3.43Å
562	S	34.9	Very low	33	Very low	93 Å²	93	125.3 Å²	125.3	65%	0.65	66%	0.662	S	S	*	*	H	α-helix	trans	-81.8	-19.9	-175.3	-56	0	0	0	0	113.7	A558 T559 T564	A558-S562 VanDerWaalsContact O-CB 3.3Å; A558-S562 WeakPolarHBondContact O-CB 3.27Å; A558-S562 PolarHBondContact O-N 2.97Å; A558-S562 PolarHBondContact O-OG 3.44Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 VanDerWaalsContact O-N 3.12Å; S562-T564 PolarHBondContact O-N 3.13Å
563	S	30.8	Very low	32.6	Very low	71 Å²	71	124.5 Å²	124.5	50%	0.497	67%	0.671	S	S	.	*			trans	-78.7	31	-178.6	65.4	0	0	0	0	114.7	T559 L560 Y565	T559-S563 WeakPolarHBondContact O-CB 3.12Å; T559-S563 PolarHBondContact O-N 2.98Å; T559-S563 PolarHBondContact O-OG 3.35Å; L560-S563 PolarHBondContact O-OG 3.06Å; S563-Y565 PolarHBondContact O-N 3.37Å
564	T	31.6	Very low	32.9	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	71%	0.71	S	S	*	*			trans	-78.4	65.3	165.3	31.3	0	0	0	0	110	S562 R566	S562-T564 PolarHBondContact O-N 3.13Å; T564-R566 PolarHBondContact O-N 3.38Å
565	Y	29	Very low	32.8	Very low	215 Å²	215	133.5 Å²	133.5	84%	0.843	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-64.3	119.3	-172.4	-128.2	-93.4	0	0	0	111.5	S563 V567	S563-Y565 PolarHBondContact O-N 3.37Å; Y565-V567 PolarHBondContact O-N 3.22Å
566	R	29.6	Very low	32.5	Very low	231 Å²	231	137.8 Å²	137.8	87%	0.872	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.7	177.3	-77.1	178.5	169.2	171.2	-4.6	110.4	T564 Q568	T564-R566 PolarHBondContact O-N 3.38Å; R566-Q568 PolarHBondContact O-N 3.35Å
567	V	30.2	Very low	32.4	Very low	141 Å²	141	141.2 Å²	141.2	86%	0.855	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-68.3	119.4	165.1	-179.5	0	0	0	0	108.3	Y565	Y565-V567 PolarHBondContact O-N 3.22Å
568	Q	28	Very low	32.5	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.804	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-102.6	142.2	160.4	-80.2	-165.7	-35.9	0	0	109.5	R566	R566-Q568 PolarHBondContact O-N 3.35Å
569	P	32.7	Very low	32.4	Very low	119 Å²	119	148.7 Å²	148.7	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70.5	143.6	-178.7	30.6	-34.8	0	0	0	110.6
570	K	34.5	Very low	32	Very low	191 Å²	191	152.6 Å²	152.6	83%	0.83	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.6	129.6	166.4	-72.6	-172.8	175	-175.4	0	109.2
571	E	29.9	Very low	32	Very low	196 Å²	196	154.9 Å²	154.9	92%	0.916	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.3	144	172.2	-62.2	171.3	135.6	0	0	110
572	Y	33.5	Very low	31.8	Very low	230 Å²	230	161.2 Å²	161.2	90%	0.902	82%	0.82	S	S	*	*			trans	-105.3	112.1	172.1	-76.2	-95.9	0	0	0	108.9
573	G	31	Very low	31.5	Very low	68 Å²	68	166.9 Å²	166.9	70%	0.701	83%	0.834	S	S	*	*			trans	-110	156.4	150.4	0	0	0	0	0	108.6
574	I	37.9	Very low	31.6	Very low	247 Å²	247	175.6 Å²	175.6	100%	1.267	87%	0.865	S	S	*	*			cis	-121.6	0	6.7	-65.4	168.1	0	0	0	108.8

Retrieved 574 of 574 residues in 141.9 ms (Link to these results)

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