A0A3Q0KKZ3_SCHMA Loading...

Putative prokaryotic DNA topoisomerase

AlphaFold DB , UniProt , Accession A0A3Q0KKZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 763 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	44.2	Very low	71.9	Confident	244 Å²	244	80.6 Å²	80.6	100%	1.202	46%	0.461	S	S	*	.				0	123.4	0	-72.7	179.4	168.9	0	0	106.7
2	S	52.3	Low	71.8	Confident	112 Å²	112	83.7 Å²	83.7	78%	0.783	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-60.4	137.5	170.3	47.1	0	0	0	0	108.8
3	P	67.6	Low	71.1	Confident	107 Å²	107	77.9 Å²	77.9	70%	0.695	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-57.4	141.7	175.6	23.7	-31.4	0	0	0	109.8
4	S	80.1	Confident	70.5	Confident	35 Å²	35	81.9 Å²	81.9	25%	0.245	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-65.7	142.8	-180	71.5	0	0	0	0	110	F6 S7 S8 E126	S4-F6 PolarHBondContact O-N 3.4Å; S4-S7 PolarHBondContact N-OG 3.3Å; S4-S7 PolarHBondContact O-N 3.34Å; S4-S7 PolarHBondContact O-OG 3.32Å; S4-S7 VanDerWaalsContact OG-CB 3.22Å; S4-S7 WeakPolarHBondContact OG-CB 3.5Å; S4-S7 PolarHBondContact OG-N 3.36Å; S4-S7 PolarHBondContact OG-OG 2.82Å; S4-S8 PolarHBondContact O-N 3.02Å; S4-E126 WeakPolarHBondContact CB-OE1 3.5Å
5	V	80	Confident	69.5	Low	61 Å²	61	85.4 Å²	85.4	37%	0.37	45%	0.448	S	S	.	.	H	α-helix	trans	-54.1	-42.7	178.7	176.9	0	0	0	0	110.3	S7 S8 V9 L89	V5-S7 PolarHBondContact O-N 3.39Å; V5-S8 PolarHBondContact O-N 3.23Å; V5-S8 PolarHBondContact O-OG 3.1Å; V5-V9 WeakPolarHBondContact O-CG2 3.28Å; V5-V9 PolarHBondContact O-N 3.5Å; V5-V9 VanDerWaalsContact O-N 3.13Å; V5-L89 HydrophobicContact CG1-CB 4.18Å; V5-L89 HydrophobicContact CG1-CD1 3.63Å; V5-L89 HydrophobicContact CG1-CD2 3.86Å; V5-L89 HydrophobicContact CG1-CG 4.1Å
6	F	82.1	Confident	68.7	Low	32 Å²	32	85.9 Å²	85.9	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-61.1	-40.1	175.9	-66.1	-87.4	0	0	0	113.1	S4 S8 V9 N10 L62 L65 L77 W104 A125 E126	S4-F6 PolarHBondContact O-N 3.4Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 2.88Å; F6-V9 PolarHBondContact O-N 3.08Å; F6-N10 WeakPolarHBondContact O-CB 3.44Å; F6-N10 PolarHBondContact O-N 2.94Å; F6-L62 HydrophobicContact CD1-CD1 3.9Å; F6-L65 HydrophobicContact CD1-CD1 3.86Å; F6-L65 HydrophobicContact CE1-CD1 3.63Å; F6-L77 HydrophobicContact CE1-CD2 4.48Å; F6-L77 HydrophobicContact CE2-CD2 4.37Å; F6-L77 HydrophobicContact CZ-CD2 3.8Å; F6-W104 HydrophobicContact CE1-CH2 4.05Å; F6-W104 HydrophobicContact CZ-CH2 4.26Å; F6-A125 HydrophobicContact CE1-CB 4.27Å; F6-A125 HydrophobicContact CE2-CB 4.29Å; F6-A125 WeakPolarHBondContact CE2-O 3.43Å; F6-A125 HydrophobicContact CZ-CB 3.64Å; F6-E126 HydrophobicContact CD2-CB 4.16Å; F6-E126 HydrophobicContact CD2-CG 4.28Å; F6-E126 HydrophobicContact CE2-CB 4.18Å
7	S	79	Confident	67.7	Low	39 Å²	39	88.9 Å²	88.9	27%	0.273	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-38.3	175.8	70	0	0	0	0	112.5	S4 V5 Q11	S4-S7 PolarHBondContact N-OG 3.3Å; S4-S7 PolarHBondContact O-N 3.34Å; S4-S7 PolarHBondContact O-OG 3.32Å; S4-S7 VanDerWaalsContact OG-CB 3.22Å; S4-S7 WeakPolarHBondContact OG-CB 3.5Å; S4-S7 PolarHBondContact OG-N 3.36Å; S4-S7 PolarHBondContact OG-OG 2.82Å; V5-S7 PolarHBondContact O-N 3.39Å; S7-Q11 VanDerWaalsContact O-CG 3.31Å; S7-Q11 WeakPolarHBondContact O-CG 3.35Å; S7-Q11 PolarHBondContact O-N 3.37Å
8	S	76.6	Confident	66.8	Low	41 Å²	41	88.6 Å²	88.6	29%	0.287	46%	0.455	S	S	.	.	H	α-helix	trans	-69.7	-39.4	179.8	71.9	0	0	0	0	112.8	S4 V5 F6 R12	S4-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-N 3.23Å; V5-S8 PolarHBondContact O-OG 3.1Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 2.88Å; S8-R12 WeakPolarHBondContact O-CG 3.25Å; S8-R12 PolarHBondContact O-N 2.91Å
9	V	77.5	Confident	66	Low	2 Å²	2	92.7 Å²	92.7	1%	0.012	47%	0.472	C	S	.	.	H	α-helix	trans	-69	-43.8	176.1	176.7	0	0	0	0	110.3	V5 F6 Q11 R12 E13 L62 L65	V5-V9 WeakPolarHBondContact O-CG2 3.28Å; V5-V9 PolarHBondContact O-N 3.5Å; V5-V9 VanDerWaalsContact O-N 3.13Å; F6-V9 PolarHBondContact O-N 3.08Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.13Å; V9-R12 WeakPolarHBondContact O-CB 3.49Å; V9-R12 PolarHBondContact O-N 2.97Å; V9-R12 VanDerWaalsContact O-N 3.09Å; V9-E13 PolarHBondContact O-N 3.32Å; V9-L62 HydrophobicContact CB-CD1 4.43Å; V9-L62 HydrophobicContact CG1-CB 4.44Å; V9-L62 HydrophobicContact CG1-CD1 4.17Å; V9-L65 HydrophobicContact CG1-CD2 4.18Å; V9-L65 HydrophobicContact CG1-CG 4.19Å; V9-L65 HydrophobicContact CG2-CD2 4.2Å
10	N	77.1	Confident	65.2	Low	92 Å²	92	94.6 Å²	94.6	49%	0.492	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-38.9	178.3	-163	0.6	0	0	0	112.2	F6 R12 E13 F14 L62	F6-N10 WeakPolarHBondContact O-CB 3.44Å; F6-N10 PolarHBondContact O-N 2.94Å; N10-R12 VanDerWaalsContact C-N 3.35Å; N10-R12 PolarHBondContact O-N 3.04Å; N10-E13 PolarHBondContact O-N 3.36Å; N10-F14 WeakPolarHBondContact O-CB 3.49Å; N10-F14 PolarHBondContact O-N 3.29Å; N10-L62 HydrophobicContact CB-CD2 4.03Å
11	Q	74	Confident	63.9	Low	122 Å²	122	96.6 Å²	96.6	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-59.3	-44.5	172	-77.8	175	3.2	0	0	111.8	S7 V9 F14 F15	S7-Q11 VanDerWaalsContact O-CG 3.31Å; S7-Q11 WeakPolarHBondContact O-CG 3.35Å; S7-Q11 PolarHBondContact O-N 3.37Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.13Å; Q11-F14 PolarHBondContact O-N 3.12Å; Q11-F15 WeakPolarHBondContact O-CD2 3.48Å; Q11-F15 PolarHBondContact O-N 3.36Å
12	R	70.6	Confident	63.7	Low	117 Å²	117	94.1 Å²	94.1	44%	0.442	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-44.4	178.4	-69	173.7	-179	172.2	-0.4	112.5	S8 V9 N10 F15 R16 D79 V82	S8-R12 WeakPolarHBondContact O-CG 3.25Å; S8-R12 PolarHBondContact O-N 2.91Å; V9-R12 WeakPolarHBondContact O-CB 3.49Å; V9-R12 PolarHBondContact O-N 2.97Å; V9-R12 VanDerWaalsContact O-N 3.09Å; N10-R12 VanDerWaalsContact C-N 3.35Å; N10-R12 PolarHBondContact O-N 3.04Å; R12-F15 PolarHBondContact O-N 3.41Å; R12-R16 PolarHBondContact O-N 3.47Å; R12-R16 VanDerWaalsContact O-N 3.15Å; R12-D79 IonicContact NH1-OD2 3.32Å; R12-D79 PolarHBondContact NH1-OD2 3.22Å; R12-V82 VanDerWaalsContact NH1-CG2 3.29Å
13	E	63.8	Low	63.3	Low	9 Å²	9	97.3 Å²	97.3	4%	0.042	48%	0.476	C	S	.	.	H	α-helix	trans	-62.8	-42.4	176.5	-78	-163.7	157.7	0	0	111.6	V9 N10 F15 R16 F17 L62 T63 D64	V9-E13 PolarHBondContact O-N 3.32Å; N10-E13 PolarHBondContact O-N 3.36Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.48Å; E13-R16 WeakPolarHBondContact O-CB 3.43Å; E13-R16 PolarHBondContact O-N 2.82Å; E13-R16 VanDerWaalsContact O-N 3.07Å; E13-F17 HydrophobicContact CB-CE2 4.46Å; E13-F17 WeakPolarHBondContact O-CD2 3.47Å; E13-F17 PolarHBondContact O-N 2.9Å; E13-L62 VanDerWaalsContact OE2-CD2 3.23Å; E13-L62 WeakPolarHBondContact OE2-CD2 3.37Å; E13-T63 PolarHBondContact OE1-N 3.23Å; E13-T63 PolarHBondContact OE1-OG1 3.46Å; E13-D64 PolarHBondContact OE1-N 3.44Å
14	F	62.8	Low	62.4	Low	133 Å²	133	103.8 Å²	103.8	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-56.3	-43.7	176.3	-175.5	-93	0	0	0	112.3	N10 Q11 F17 T18	N10-F14 WeakPolarHBondContact O-CB 3.49Å; N10-F14 PolarHBondContact O-N 3.29Å; Q11-F14 PolarHBondContact O-N 3.12Å; F14-F17 PolarHBondContact O-N 2.78Å; F14-T18 HydrophobicContact CE1-CG2 4.26Å; F14-T18 PolarHBondContact O-N 3.15Å
15	F	55.5	Low	61.1	Low	135 Å²	135	108.7 Å²	108.7	59%	0.592	51%	0.509	S	S	*	.	H	α-helix	trans	-66.4	-34.7	176.2	-71.3	-66.4	0	0	0	113	Q11 R12 E13 T18 E19	Q11-F15 WeakPolarHBondContact O-CD2 3.48Å; Q11-F15 PolarHBondContact O-N 3.36Å; R12-F15 PolarHBondContact O-N 3.41Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.48Å; F15-T18 WeakPolarHBondContact CA-OG1 3.34Å; F15-T18 PolarHBondContact O-N 3.12Å; F15-T18 PolarHBondContact O-OG1 3.3Å; F15-E19 PolarHBondContact O-N 3.23Å
16	R	55.5	Low	59.9	Low	94 Å²	94	109 Å²	109	36%	0.355	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-45.3	173.7	-75.6	-170.8	-177.2	148.8	12.5	112.6	R12 E13 T18 E19 E20 D64	R12-R16 PolarHBondContact O-N 3.47Å; R12-R16 VanDerWaalsContact O-N 3.15Å; E13-R16 WeakPolarHBondContact O-CB 3.43Å; E13-R16 PolarHBondContact O-N 2.82Å; E13-R16 VanDerWaalsContact O-N 3.07Å; R16-T18 PolarHBondContact O-N 2.93Å; R16-E19 PolarHBondContact O-N 3.34Å; R16-E20 PolarHBondContact O-N 2.78Å; R16-E20 VanDerWaalsContact O-N 3.09Å; R16-D64 IonicContact CZ-OD2 3.8Å; R16-D64 IonicContact NH1-OD1 2.75Å; R16-D64 PolarHBondContact NH1-OD1 3.1Å; R16-D64 IonicContact NH1-OD2 3.87Å; R16-D64 PolarHBondContact NH1-OD2 2.92Å; R16-D64 IonicContact NH2-OD2 2.71Å
17	F	53.1	Low	59.2	Low	137 Å²	137	113.9 Å²	113.9	60%	0.601	55%	0.545	S	S	*	.	H	α-helix	trans	-60.8	-32.6	178.6	-81.5	-70	0	0	0	112.3	E13 F14 E19	E13-F17 HydrophobicContact CB-CE2 4.46Å; E13-F17 WeakPolarHBondContact O-CD2 3.47Å; E13-F17 PolarHBondContact O-N 2.9Å; F14-F17 PolarHBondContact O-N 2.78Å; F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.4Å
18	T	50.6	Low	59.2	Low	83 Å²	83	112.5 Å²	112.5	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-67.9	-25.8	174.5	53.2	0	0	0	0	113.7	F14 F15 R16	F14-T18 HydrophobicContact CE1-CG2 4.26Å; F14-T18 PolarHBondContact O-N 3.15Å; F15-T18 WeakPolarHBondContact CA-OG1 3.34Å; F15-T18 PolarHBondContact O-N 3.12Å; F15-T18 PolarHBondContact O-OG1 3.3Å; R16-T18 PolarHBondContact O-N 2.93Å
19	E	52.1	Low	59.5	Low	167 Å²	167	111 Å²	111	78%	0.78	53%	0.526	S	S	*	.	H	α-helix	trans	-87.5	-31.4	178.5	-68.7	-174.6	164.8	0	0	113.4	F15 R16 F17	F15-E19 PolarHBondContact O-N 3.23Å; R16-E19 PolarHBondContact O-N 3.34Å; F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.4Å
20	E	48.9	Very low	59.9	Low	130 Å²	130	111 Å²	111	61%	0.607	53%	0.526	S	S	*	.			trans	-97.9	17.4	-167.8	-71.3	-159.5	139.9	0	0	116.5	R16 Q22	R16-E20 PolarHBondContact O-N 2.78Å; R16-E20 VanDerWaalsContact O-N 3.09Å; E20-Q22 PolarHBondContact O-N 3Å
21	N	38.1	Very low	60.3	Low	137 Å²	137	111 Å²	111	73%	0.733	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-1.5	-166.8	-110.9	-25.5	0	0	0	118.8
22	Q	40.1	Very low	61	Low	192 Å²	192	106.3 Å²	106.3	90%	0.897	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.3	47.2	-178.6	-68.5	-163.6	-11.1	0	0	116.3	E20	E20-Q22 PolarHBondContact O-N 3Å
23	K	44.4	Very low	62	Low	179 Å²	179	100.8 Å²	100.8	78%	0.778	48%	0.481	S	S	*	.			trans	-115.2	121.2	170.2	-69.5	-178.6	-175.2	168.9	0	111.8	L25	K23-L25 PolarHBondContact O-N 3.26Å
24	R	48.4	Very low	63.4	Low	243 Å²	243	100.6 Å²	100.6	92%	0.917	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-50	137.7	162.4	-71.9	-176.6	178.5	-174.2	-0.3	107.7
25	L	52.7	Low	64.8	Low	137 Å²	137	94.2 Å²	94.2	72%	0.717	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-47.7	120.2	173.6	-69.7	170.9	0	0	0	108.3	K23 T27 P376	K23-L25 PolarHBondContact O-N 3.26Å; L25-T27 PolarHBondContact O-N 2.8Å; L25-P376 HydrophobicContact CD2-CG 4.03Å
26	P	56.2	Low	66.6	Low	68 Å²	68	92.1 Å²	92.1	44%	0.442	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-58.7	139.7	177.7	22.7	-30.8	0	0	0	108.4	I28 T377 M393	P26-I28 PolarHBondContact O-N 2.9Å; P26-T377 HydrophobicContact CG-CG2 3.97Å; P26-M393 HydrophobicContact CB-CE 4.31Å; P26-M393 HydrophobicContact CG-CE 4.28Å
27	T	67.5	Low	68.2	Low	134 Å²	134	95.4 Å²	95.4	82%	0.822	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-54	125.4	169.2	44.3	0	0	0	0	108.4	L25 G29	L25-T27 PolarHBondContact O-N 2.8Å; T27-G29 PolarHBondContact O-N 2.99Å
28	I	78.3	Confident	70	Confident	11 Å²	11	92 Å²	92	6%	0.056	44%	0.441	C	S	.	.			trans	-66	102.5	-177.7	-54.9	177.4	0	0	0	108.8	P26 V30 F33 D331 Y334 W371 P376	P26-I28 PolarHBondContact O-N 2.9Å; I28-V30 HydrophobicContact CG2-CG1 3.77Å; I28-V30 PolarHBondContact O-N 3.48Å; I28-F33 HydrophobicContact CG2-CE2 4.16Å; I28-D331 HydrophobicContact CD1-CB 4.44Å; I28-D331 WeakPolarHBondContact CD1-OD1 3.49Å; I28-Y334 HydrophobicContact CB-CE2 4.21Å; I28-Y334 HydrophobicContact CG2-CD2 4.47Å; I28-Y334 HydrophobicContact CG2-CE2 4.44Å; I28-W371 HydrophobicContact CD1-CH2 4.36Å; I28-W371 HydrophobicContact CD1-CZ3 3.86Å; I28-W371 HydrophobicContact CG2-CH2 3.51Å; I28-W371 HydrophobicContact CG2-CZ3 3.65Å; I28-P376 HydrophobicContact CD1-CB 3.86Å; I28-P376 HydrophobicContact CG1-CB 4.17Å
29	G	82.3	Confident	72.1	Confident	10 Å²	10	88.8 Å²	88.8	10%	0.103	42%	0.42	C	S	.	.			trans	-84.7	79.4	171.2	0	0	0	0	0	109.9	T27 E31 N32 M393	T27-G29 PolarHBondContact O-N 2.99Å; G29-E31 VanDerWaalsContact C-OE2 3.26Å; G29-E31 WeakPolarHBondContact CA-OE2 3.33Å; G29-E31 PolarHBondContact O-N 2.86Å; G29-E31 VanDerWaalsContact O-N 3.08Å; G29-N32 WeakPolarHBondContact O-CB 3.31Å; G29-N32 PolarHBondContact O-N 3.14Å; G29-N32 PolarHBondContact O-ND2 3.03Å; G29-M393 PolarHBondContact N-SD 3.19Å
30	V	86.5	Confident	74.2	Confident	2 Å²	2	82.2 Å²	82.2	1%	0.012	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-55.9	-22.6	-177.3	-79.3	0	0	0	0	114	I28 N32 F33 Y334 I346 I357 W371	I28-V30 HydrophobicContact CG2-CG1 3.77Å; I28-V30 PolarHBondContact O-N 3.48Å; V30-N32 PolarHBondContact O-N 3.39Å; V30-F33 HydrophobicContact CB-CD2 4.5Å; V30-F33 HydrophobicContact CG1-CE2 4.15Å; V30-F33 WeakPolarHBondContact O-CD2 3.15Å; V30-Y334 HydrophobicContact CG1-CD1 4.05Å; V30-Y334 HydrophobicContact CG1-CD2 3.89Å; V30-Y334 HydrophobicContact CG1-CE1 4.18Å; V30-Y334 HydrophobicContact CG1-CE2 4.01Å; V30-Y334 HydrophobicContact CG1-CG 3.92Å; V30-Y334 HydrophobicContact CG2-CD1 4.13Å; V30-Y334 HydrophobicContact CG2-CE1 3.56Å; V30-Y334 HydrophobicContact CG2-CE2 4.32Å; V30-I346 HydrophobicContact CB-CG2 4.36Å; V30-I346 HydrophobicContact CG1-CD1 4.45Å; V30-I346 HydrophobicContact CG1-CG2 3.96Å; V30-I357 HydrophobicContact CB-CD1 3.84Å; V30-I357 HydrophobicContact CG2-CD1 3.26Å; V30-W371 HydrophobicContact CG1-CH2 3.94Å; V30-W371 HydrophobicContact CG1-CZ2 4.3Å
31	E	85.4	Confident	76.3	Confident	92 Å²	92	77.3 Å²	77.3	43%	0.43	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-73.3	-13.8	175	71.5	-77	-178.7	0	0	113.9	G29 I357	G29-E31 VanDerWaalsContact C-OE2 3.26Å; G29-E31 WeakPolarHBondContact CA-OE2 3.33Å; G29-E31 PolarHBondContact O-N 2.86Å; G29-E31 VanDerWaalsContact O-N 3.08Å; E31-I357 HydrophobicContact CB-CD1 4.19Å
32	N	87.8	Confident	78.9	Confident	23 Å²	23	76.4 Å²	76.4	12%	0.123	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-103.1	12.2	-175.3	-54.9	-59.9	0	0	0	113.1	G29 V30 M393 F394	G29-N32 WeakPolarHBondContact O-CB 3.31Å; G29-N32 PolarHBondContact O-N 3.14Å; G29-N32 PolarHBondContact O-ND2 3.03Å; V30-N32 PolarHBondContact O-N 3.39Å; N32-M393 HydrophobicContact CB-CG 3.96Å; N32-M393 WeakPolarHBondContact O-CA 3.45Å; N32-F394 PolarHBondContact O-N 2.66Å
33	F	93	Very high	81.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.1	173.4	-81.2	-78.6	0	0	0	111.3	I28 V30 L359 W371 T377 I379 W391 N392 M393 A411	I28-F33 HydrophobicContact CG2-CE2 4.16Å; V30-F33 HydrophobicContact CB-CD2 4.5Å; V30-F33 HydrophobicContact CG1-CE2 4.15Å; V30-F33 WeakPolarHBondContact O-CD2 3.15Å; F33-L359 HydrophobicContact CB-CD2 4.04Å; F33-W371 AromaticContact CE2-CH2 3.76Å; F33-W371 HydrophobicContact CE2-CH2 3.76Å; F33-W371 HydrophobicContact CE2-CZ3 4.18Å; F33-W371 AromaticContact CZ-CH2 3.83Å; F33-W371 HydrophobicContact CZ-CH2 3.83Å; F33-W371 AromaticContact CZ-CZ3 3.79Å; F33-W371 HydrophobicContact CZ-CZ3 3.79Å; F33-T377 WeakPolarHBondContact CE1-O 3.38Å; F33-I379 HydrophobicContact CD1-CD1 4.13Å; F33-I379 HydrophobicContact CD1-CG1 4.4Å; F33-I379 HydrophobicContact CD2-CD1 4.06Å; F33-I379 HydrophobicContact CE1-CB 4.43Å; F33-I379 HydrophobicContact CE1-CD1 3.74Å; F33-I379 HydrophobicContact CE1-CG1 3.75Å; F33-I379 HydrophobicContact CE2-CD1 3.73Å; F33-I379 HydrophobicContact CE2-CG1 4.5Å; F33-I379 HydrophobicContact CG-CD1 4.28Å; F33-I379 HydrophobicContact CZ-CD1 3.55Å; F33-I379 HydrophobicContact CZ-CG1 3.83Å; F33-W391 HydrophobicContact CB-CB 4.42Å; F33-W391 HydrophobicContact CD1-CB 3.83Å; F33-W391 HydrophobicContact CG-CB 4.5Å; F33-N392 WeakPolarHBondContact CA-O 3.45Å; F33-M393 HydrophobicContact CD1-CB 4.34Å; F33-M393 HydrophobicContact CE1-CB 4.17Å; F33-M393 HydrophobicContact CZ-CB 4.31Å; F33-A411 HydrophobicContact CB-CB 4.08Å; F33-A411 WeakPolarHBondContact O-CB 3.3Å; F33-A411 PolarHBondContact O-N 2.91Å
34	E	91.9	Very high	83.3	Confident	5 Å²	5	65 Å²	65	2%	0.023	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.3	171.5	69.1	-173.6	-154.3	0	0	110.7	R36 W391 N392 F394 R397 L407 L410	E34-R36 IonicContact OE1-NE 3.87Å; E34-R36 IonicContact OE1-NH2 3.36Å; E34-W391 WeakPolarHBondContact O-CA 3.24Å; E34-N392 PolarHBondContact N-O 3.48Å; E34-N392 PolarHBondContact O-N 3.42Å; E34-F394 VanDerWaalsContact CD-CD2 3.44Å; E34-F394 HydrophobicContact CG-CD2 3.31Å; E34-F394 HydrophobicContact CG-CE2 3.4Å; E34-F394 VanDerWaalsContact CG-CE2 3.4Å; E34-F394 HydrophobicContact CG-CG 4.27Å; E34-F394 HydrophobicContact CG-CZ 4.47Å; E34-F394 VanDerWaalsContact OE1-CD2 3.3Å; E34-F394 WeakPolarHBondContact OE1-CD2 3.38Å; E34-F394 VanDerWaalsContact OE1-CE2 3.29Å; E34-F394 WeakPolarHBondContact OE1-CE2 3.36Å; E34-R397 IonicContact OE2-CZ 2.88Å; E34-R397 IonicContact OE2-NE 3.6Å; E34-R397 PolarHBondContact OE2-NE 3.42Å; E34-R397 IonicContact OE2-NH2 3.69Å; E34-L407 HydrophobicContact CB-CD2 3.87Å; E34-L407 HydrophobicContact CG-CD2 4.09Å; E34-L410 HydrophobicContact CB-CD2 3.62Å
35	C	93.2	Very high	85.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.1	171.6	-176.8	0	0	0	0	108.1	F389 V390 W391 A408 G409	C35-F389 HydrophobicContact CB-CB 4.45Å; C35-F389 HydrophobicContact CB-CD2 4.02Å; C35-V390 PolarHBondContact SG-O 3.21Å; C35-W391 HydrophobicContact CB-CD2 3.91Å; C35-W391 HydrophobicContact CB-CE3 3.84Å; C35-W391 HydrophobicContact CB-CG 4.45Å; C35-W391 HydrophobicContact CB-CH2 4.36Å; C35-W391 HydrophobicContact CB-CZ2 4.44Å; C35-W391 HydrophobicContact CB-CZ3 4.09Å; C35-A408 PolarHBondContact O-N 3.35Å; C35-G409 PolarHBondContact N-O 3.02Å; C35-G409 PolarHBondContact O-N 3.02Å
36	R	91.9	Very high	86.5	Confident	91 Å²	91	52.5 Å²	52.5	34%	0.343	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	157.5	174.8	-65	-177.2	-179.3	-162.5	-2.3	110.6	E34 N38 Q39 A40 E406 L407	E34-R36 IonicContact OE1-NE 3.87Å; E34-R36 IonicContact OE1-NH2 3.36Å; R36-N38 WeakPolarHBondContact CB-OD1 3.36Å; R36-N38 PolarHBondContact O-N 3.4Å; R36-Q39 HydrophobicContact CB-CG 4.46Å; R36-Q39 CarbonylContact O-C 3.51Å; R36-Q39 WeakPolarHBondContact O-CA 3.4Å; R36-Q39 WeakPolarHBondContact O-CB 3.44Å; R36-Q39 PolarHBondContact O-N 3.06Å; R36-A40 PolarHBondContact O-N 3.04Å; R36-E406 CarbonylContact C-O 3.6Å; R36-L407 HydrophobicContact CG-CD2 4.32Å
37	R	90.4	Very high	87.7	Confident	162 Å²	162	54.9 Å²	54.9	61%	0.611	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.7	-34.7	178.6	-81.3	-169.3	-178.2	146.4	2.9	113.6	Q39 A40 G405 E406 A408	R37-Q39 PolarHBondContact O-N 2.89Å; R37-A40 PolarHBondContact O-N 3.13Å; R37-G405 WeakPolarHBondContact CD-O 3.44Å; R37-G405 PolarHBondContact NE-O 3.45Å; R37-G405 PolarHBondContact NH1-O 2.77Å; R37-G405 PolarHBondContact NH2-O 3.06Å; R37-E406 PolarHBondContact N-O 2.88Å; R37-A408 HydrophobicContact CG-CB 4.24Å
38	N	91.7	Very high	88.3	Confident	66 Å²	66	50 Å²	50	35%	0.353	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-76.3	-2.8	175.4	64	-10.4	0	0	0	113.7	R36 Y41 T83 G84	R36-N38 WeakPolarHBondContact CB-OD1 3.36Å; R36-N38 PolarHBondContact O-N 3.4Å; N38-Y41 WeakPolarHBondContact O-CE1 3.19Å; N38-Y41 PolarHBondContact O-OH 2.93Å; N38-T83 VanDerWaalsContact ND2-CB 3.27Å; N38-T83 WeakPolarHBondContact ND2-CB 3.45Å; N38-T83 PolarHBondContact ND2-OG1 3.34Å; N38-G84 PolarHBondContact O-N 2.96Å
39	Q	93.9	Very high	88.5	Confident	16 Å²	16	55.9 Å²	55.9	8%	0.075	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-113.2	1	175.3	-68.5	174.4	-24.9	0	0	112.3	R36 R37 Y41 T83 V390 N392	R36-Q39 HydrophobicContact CB-CG 4.46Å; R36-Q39 CarbonylContact O-C 3.51Å; R36-Q39 WeakPolarHBondContact O-CA 3.4Å; R36-Q39 WeakPolarHBondContact O-CB 3.44Å; R36-Q39 PolarHBondContact O-N 3.06Å; R37-Q39 PolarHBondContact O-N 2.89Å; Q39-Y41 WeakPolarHBondContact O-CD2 2.97Å; Q39-Y41 VanDerWaalsContact O-CE2 3.29Å; Q39-Y41 WeakPolarHBondContact O-CE2 3.41Å; Q39-T83 HydrophobicContact CG-CG2 3.72Å; Q39-V390 HydrophobicContact CB-CB 4.27Å; Q39-V390 PolarHBondContact O-N 3.03Å; Q39-N392 PolarHBondContact NE2-ND2 2.88Å; Q39-N392 PolarHBondContact OE1-ND2 3.5Å
40	A	95	Very high	88.8	Confident	29 Å²	29	58.5 Å²	58.5	24%	0.24	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.7	171.9	0	0	0	0	0	108.8	R36 R37 F389 A408	R36-A40 PolarHBondContact O-N 3.04Å; R37-A40 PolarHBondContact O-N 3.13Å; A40-F389 HydrophobicContact CB-CD1 3.68Å; A40-F389 HydrophobicContact CB-CE1 3.49Å; A40-F389 VanDerWaalsContact CB-CE1 3.49Å; A40-F389 HydrophobicContact CB-CE2 4.36Å; A40-F389 HydrophobicContact CB-CG 4.22Å; A40-F389 HydrophobicContact CB-CZ 3.86Å; A40-A408 HydrophobicContact CB-CB 3.44Å; A40-A408 VanDerWaalsContact CB-CB 3.44Å
41	Y	94.6	Very high	89.2	Confident	27 Å²	27	58.5 Å²	58.5	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.6	-175.5	-49.1	-76.2	0	0	0	110.9	N38 Q39 Y78 V82 G84 A87 Q387 A388 V390	N38-Y41 WeakPolarHBondContact O-CE1 3.19Å; N38-Y41 PolarHBondContact O-OH 2.93Å; Q39-Y41 WeakPolarHBondContact O-CD2 2.97Å; Q39-Y41 VanDerWaalsContact O-CE2 3.29Å; Q39-Y41 WeakPolarHBondContact O-CE2 3.41Å; Y41-Y78 HydrophobicContact CG-CE1 4.29Å; Y41-V82 PolarHBondContact OH-O 2.92Å; Y41-G84 VanDerWaalsContact CE1-O 3.31Å; Y41-G84 WeakPolarHBondContact CE1-O 3.12Å; Y41-A87 HydrophobicContact CD1-CB 4.33Å; Y41-A87 HydrophobicContact CE1-CB 3.45Å; Y41-A87 VanDerWaalsContact CE1-CB 3.45Å; Y41-A87 HydrophobicContact CE2-CB 4.45Å; Y41-A87 WeakPolarHBondContact OH-CB 3.19Å; Y41-Q387 CarbonylContact O-C 3.58Å; Y41-Q387 WeakPolarHBondContact O-CA 3.39Å; Y41-A388 WeakPolarHBondContact CD2-O 3.36Å; Y41-A388 PolarHBondContact N-O 3.17Å; Y41-A388 PolarHBondContact O-N 3.43Å; Y41-V390 HydrophobicContact CD2-CG2 4.44Å; Y41-V390 HydrophobicContact CE2-CB 4.46Å; Y41-V390 HydrophobicContact CE2-CG2 3.71Å
42	H	92.8	Very high	89.6	Confident	117 Å²	117	55.1 Å²	55.1	54%	0.542	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.4	163.7	-172.8	-73.6	0	0	0	108.6	H44 S386	H42-H44 PolarHBondContact O-N 2.72Å; H42-H44 VanDerWaalsContact O-N 3.12Å; H42-S386 CarbonylContact C-O 3.54Å; H42-S386 WeakPolarHBondContact CA-O 3.42Å
43	L	91.9	Very high	90.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.28	C	S	.	.			trans	-74.6	100.4	-179	-57.1	175.1	0	0	0	109.1	P53 I68 Y78 S386 A388	L43-P53 HydrophobicContact CD1-CB 3.72Å; L43-P53 HydrophobicContact CD1-CG 3.66Å; L43-I68 HydrophobicContact CD1-CG2 3.86Å; L43-I68 HydrophobicContact CD2-CD1 3.92Å; L43-I68 HydrophobicContact CD2-CG2 4.5Å; L43-Y78 HydrophobicContact CD2-CE2 3.66Å; L43-Y78 WeakPolarHBondContact CD2-OH 3.19Å; L43-S386 WeakPolarHBondContact CB-O 3.26Å; L43-S386 PolarHBondContact N-O 3.44Å; L43-A388 HydrophobicContact CD1-CB 4.39Å; L43-A388 HydrophobicContact CD2-CB 3.82Å; L43-A388 HydrophobicContact CG-CB 4.16Å
44	H	84.9	Confident	90.3	Very high	132 Å²	132	54.7 Å²	54.7	61%	0.611	28%	0.283	S	S	*	.			trans	-75.3	129	-179.3	179.8	65.5	0	0	0	111.5	H42 H76	H42-H44 PolarHBondContact O-N 2.72Å; H42-H44 VanDerWaalsContact O-N 3.12Å; H44-H76 PolarHBondContact O-CE1 2.82Å
45	S	85.8	Confident	90.6	Very high	11 Å²	11	54.4 Å²	54.4	8%	0.077	28%	0.282	C	S	.	.			trans	-108.1	137.3	170.5	170.5	0	0	0	0	110.3	L47 A48 D72	S45-L47 VanDerWaalsContact C-N 3.29Å; S45-L47 PolarHBondContact OG-N 3.2Å; S45-A48 VanDerWaalsContact CB-O 3.28Å; S45-A48 WeakPolarHBondContact CB-O 3.5Å; S45-A48 PolarHBondContact OG-N 3.04Å; S45-D72 WeakPolarHBondContact CB-OD2 3.37Å; S45-D72 PolarHBondContact OG-OD2 2.82Å
46	V	81.7	Confident	90.8	Very high	106 Å²	106	54.5 Å²	54.5	64%	0.642	28%	0.282	S	S	*	.	S	Bend	trans	-78	-20.5	172	-174.8	0	0	0	0	111
47	L	81.1	Confident	91.1	Very high	117 Å²	117	51.4 Å²	51.4	61%	0.613	27%	0.273	S	S	*	.	S	Bend	trans	-100.3	-28.6	-171.1	-62.5	173.4	0	0	0	113.1	S45 D72 L74	S45-L47 VanDerWaalsContact C-N 3.29Å; S45-L47 PolarHBondContact OG-N 3.2Å; L47-D72 HydrophobicContact CB-CB 4.16Å; L47-D72 HydrophobicContact CD1-CB 4.22Å; L47-L74 HydrophobicContact CD1-CD2 4.46Å; L47-L74 HydrophobicContact CD1-CG 4.47Å
48	A	81.2	Confident	91.4	Very high	32 Å²	32	44.7 Å²	44.7	26%	0.264	25%	0.248	S	C	.	.			trans	-141.3	150.1	-174.5	0	0	0	0	0	112.3	S45 N50	S45-A48 VanDerWaalsContact CB-O 3.28Å; S45-A48 WeakPolarHBondContact CB-O 3.5Å; S45-A48 PolarHBondContact OG-N 3.04Å; A48-N50 VanDerWaalsContact C-N 3.34Å; A48-N50 PolarHBondContact O-N 3.36Å
49	P	81.8	Confident	91.5	Very high	135 Å²	135	41.8 Å²	41.8	88%	0.877	23%	0.233	S	C	*	.	S	Bend	trans	-69.9	-29.8	178	27.8	-34.5	0	0	0	113.3
50	N	89.4	Confident	91.4	Very high	65 Å²	65	44.7 Å²	44.7	35%	0.348	25%	0.253	S	S	.	.			trans	-138.4	128.8	173.2	-176.9	5.7	0	0	0	107	A48 E385 S386	A48-N50 VanDerWaalsContact C-N 3.34Å; A48-N50 PolarHBondContact O-N 3.36Å; N50-E385 PolarHBondContact ND2-OE2 3.38Å; N50-S386 WeakPolarHBondContact OD1-CB 3.38Å; N50-S386 PolarHBondContact OD1-OG 3.46Å
51	S	93.5	Very high	91	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	26%	0.261	C	S	.	.			trans	-135.2	89.7	-178.6	-175.2	0	0	0	0	109.1	Q70 E71 D72 S386	S51-Q70 PolarHBondContact O-NE2 3.37Å; S51-E71 PolarHBondContact OG-N 3.1Å; S51-D72 WeakPolarHBondContact OG-CB 3.46Å; S51-D72 PolarHBondContact OG-N 2.9Å; S51-D72 VanDerWaalsContact OG-N 3.13Å; S51-D72 PolarHBondContact OG-OD1 2.87Å; S51-D72 PolarHBondContact OG-OD2 3.36Å; S51-S386 WeakPolarHBondContact CA-OG 3.44Å; S51-S386 PolarHBondContact N-OG 2.97Å; S51-S386 PolarHBondContact O-OG 3.17Å
52	P	95	Very high	90.8	Very high	20 Å²	20	45.9 Å²	45.9	13%	0.13	26%	0.259	C	S	.	.			trans	-54	133.8	179.6	-25.8	30.6	0	0	0	112.3	F54 E71 D384	P52-F54 HydrophobicContact CB-CE1 4.43Å; P52-E71 VanDerWaalsContact CD-OE2 3.25Å; P52-E71 WeakPolarHBondContact CD-OE2 3.22Å; P52-E71 WeakPolarHBondContact CG-OE2 3.37Å; P52-E71 PolarHBondContact O-N 2.88Å; P52-D384 HydrophobicContact CB-CB 4.43Å; P52-D384 WeakPolarHBondContact CG-O 3.45Å
53	P	97.2	Very high	90.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.9	171.7	35.5	-37.7	0	0	0	111.8	L43 I68 A69 S367 L382 S383	L43-P53 HydrophobicContact CD1-CB 3.72Å; L43-P53 HydrophobicContact CD1-CG 3.66Å; P53-I68 HydrophobicContact CB-CG2 3.66Å; P53-A69 CarbonylContact C-O 3.59Å; P53-A69 WeakPolarHBondContact CA-O 3.5Å; P53-S367 PolarHBondContact O-OG 3.28Å; P53-S367 VanDerWaalsContact O-OG 3.13Å; P53-L382 HydrophobicContact CB-CB 4.33Å; P53-L382 HydrophobicContact CB-CD1 3.94Å; P53-L382 HydrophobicContact CG-CB 3.72Å; P53-L382 HydrophobicContact CG-CD1 4.26Å; P53-L382 HydrophobicContact CG-CD2 4.42Å; P53-L382 HydrophobicContact CG-CG 4.36Å; P53-S383 WeakPolarHBondContact CD-O 3.19Å; P53-S383 WeakPolarHBondContact CG-O 3.27Å
54	F	97.5	Very high	90.6	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.057	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-19.6	-177.6	-65	-49.8	0	0	0	114.4	P52 A69 E71 A98 F100 Y323 K325 V368	P52-F54 HydrophobicContact CB-CE1 4.43Å; F54-A69 PolarHBondContact N-O 3.32Å; F54-E71 HydrophobicContact CD2-CB 4.47Å; F54-E71 HydrophobicContact CE2-CB 3.54Å; F54-E71 HydrophobicContact CE2-CG 3.88Å; F54-E71 HydrophobicContact CZ-CB 3.88Å; F54-E71 HydrophobicContact CZ-CG 4.05Å; F54-A98 HydrophobicContact CD2-CB 4.37Å; F54-A98 HydrophobicContact CE2-CB 3.85Å; F54-F100 AromaticContact CD2-CD1 3.9Å; F54-F100 HydrophobicContact CD2-CD1 3.9Å; F54-F100 HydrophobicContact CD2-CE1 4.1Å; F54-F100 HydrophobicContact CE2-CD1 4.25Å; F54-F100 AromaticContact CE2-CE1 3.97Å; F54-F100 HydrophobicContact CE2-CE1 3.97Å; F54-F100 HydrophobicContact CG-CD1 4.17Å; F54-F100 HydrophobicContact CZ-CE1 4.39Å; F54-Y323 AromaticContact CD1-CD1 3.37Å; F54-Y323 HydrophobicContact CD1-CD1 3.37Å; F54-Y323 AromaticContact CD1-CE1 3.59Å; F54-Y323 HydrophobicContact CD1-CE1 3.59Å; F54-Y323 HydrophobicContact CD1-CG 4.1Å; F54-Y323 AromaticContact CE1-CD1 3.59Å; F54-Y323 HydrophobicContact CE1-CD1 3.59Å; F54-Y323 AromaticContact CE1-CE1 3.46Å; F54-Y323 HydrophobicContact CE1-CE1 3.46Å; F54-Y323 VanDerWaalsContact CE1-CE1 3.46Å; F54-Y323 HydrophobicContact CE1-CE2 4.49Å; F54-Y323 HydrophobicContact CE1-CG 4.14Å; F54-Y323 AromaticContact CE1-CZ 3.95Å; F54-Y323 HydrophobicContact CG-CD1 4.31Å; F54-Y323 HydrophobicContact CG-CE1 4.38Å; F54-Y323 HydrophobicContact CZ-CE1 4.15Å; F54-K325 VanDerWaalsContact O-CE 3.31Å; F54-K325 WeakPolarHBondContact O-CE 3.4Å; F54-K325 PolarHBondContact O-NZ 3.06Å; F54-V368 WeakPolarHBondContact O-CG2 3.42Å
55	A	97.8	Very high	91.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	155.4	178.6	0	0	0	0	0	111.4	A69 D101 V102	A55-A69 HydrophobicContact CB-CB 4.2Å; A55-A69 PolarHBondContact O-N 2.95Å; A55-D101 WeakPolarHBondContact CB-OD1 3.41Å; A55-V102 HydrophobicContact CB-CG1 4.22Å
56	C	97.7	Very high	91.6	Very high	2 Å²	2	35 Å²	35	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.9	163.6	58	0	0	0	0	111.3	I66 L67 I68 R370 L382	C56-I66 HydrophobicContact CB-CD1 3.82Å; C56-I66 HydrophobicContact CB-CG1 4.09Å; C56-L67 CarbonylContact C-O 3.53Å; C56-L67 WeakPolarHBondContact CA-O 3.47Å; C56-L67 WeakPolarHBondContact CB-O 3.43Å; C56-I68 HydrophobicContact CB-CG1 4.08Å; C56-R370 WeakPolarHBondContact SG-CG 2.96Å; C56-L382 HydrophobicContact CB-CD1 3.65Å; C56-L382 VanDerWaalsContact SG-CD1 3.51Å
57	D	97.7	Very high	92.4	Very high	26 Å²	26	30 Å²	30	14%	0.139	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	127.7	-179	-156.2	55.3	0	0	0	109.9	I66 L67 V102 K103 W104	D57-I66 WeakPolarHBondContact O-CG1 3.4Å; D57-L67 PolarHBondContact N-O 3.41Å; D57-L67 VanDerWaalsContact N-O 3.07Å; D57-L67 PolarHBondContact O-N 2.82Å; D57-V102 HydrophobicContact CB-CG1 4.45Å; D57-V102 WeakPolarHBondContact CB-O 3.45Å; D57-K103 IonicContact OD1-NZ 3Å; D57-K103 PolarHBondContact OD1-NZ 3.27Å; D57-K103 WeakPolarHBondContact OD2-CA 3.42Å; D57-W104 VanDerWaalsContact O-CD1 3.31Å; D57-W104 PolarHBondContact O-NE1 3.37Å; D57-W104 PolarHBondContact OD2-N 3.31Å
58	F	96.7	Very high	93.2	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.088	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.7	174.8	-80.3	-81.9	0	0	0	110.4	L65 I66 T80 W104 R370 C372 V380	F58-L65 CarbonylContact C-O 3.51Å; F58-L65 WeakPolarHBondContact CA-O 3.2Å; F58-I66 HydrophobicContact CD1-CB 3.95Å; F58-I66 HydrophobicContact CD1-CD1 4.33Å; F58-I66 HydrophobicContact CD1-CG1 4.19Å; F58-I66 HydrophobicContact CD2-CD1 4.04Å; F58-I66 HydrophobicContact CD2-CG1 4.38Å; F58-I66 HydrophobicContact CE1-CB 4.03Å; F58-I66 HydrophobicContact CE1-CD1 4.06Å; F58-I66 HydrophobicContact CE1-CG1 4.32Å; F58-I66 HydrophobicContact CE2-CD1 3.75Å; F58-I66 HydrophobicContact CG-CB 4.46Å; F58-I66 HydrophobicContact CG-CD1 4.33Å; F58-I66 HydrophobicContact CG-CG1 4.23Å; F58-I66 HydrophobicContact CZ-CD1 3.78Å; F58-I66 HydrophobicContact CZ-CG1 4.5Å; F58-T80 HydrophobicContact CE1-CG2 3.99Å; F58-W104 VanDerWaalsContact C-CD1 3.41Å; F58-W104 VanDerWaalsContact O-CD1 3.27Å; F58-R370 HydrophobicContact CD2-CB 4.41Å; F58-R370 HydrophobicContact CE2-CB 4.16Å; F58-C372 HydrophobicContact CD1-CB 4.23Å; F58-C372 HydrophobicContact CD2-CB 4.31Å; F58-C372 HydrophobicContact CE1-CB 3.89Å; F58-C372 HydrophobicContact CE2-CB 3.98Å; F58-C372 HydrophobicContact CG-CB 4.42Å; F58-C372 HydrophobicContact CZ-CB 3.75Å; F58-V380 HydrophobicContact CE1-CG2 4.43Å; F58-V380 HydrophobicContact CE2-CB 4.38Å; F58-V380 HydrophobicContact CE2-CG2 4.31Å; F58-V380 HydrophobicContact CZ-CB 4.16Å; F58-V380 HydrophobicContact CZ-CG2 3.61Å
59	S	94.9	Very high	94	Very high	6 Å²	6	23 Å²	23	4%	0.042	14%	0.139	C	C	.	.			trans	-67.3	136.1	174.2	171.7	0	0	0	0	110.2	T61 L62 L65	S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 3.03Å; S59-T61 PolarHBondContact OG-N 2.87Å; S59-T61 PolarHBondContact OG-OG1 2.99Å; S59-L62 VanDerWaalsContact CB-O 3.31Å; S59-L62 WeakPolarHBondContact CB-O 3.02Å; S59-L62 PolarHBondContact OG-N 3.37Å; S59-L65 PolarHBondContact N-O 3.23Å
60	P	90.4	Very high	94.7	Very high	77 Å²	77	16.6 Å²	16.6	50%	0.5	10%	0.097	S	C	.	.	S	Bend	trans	-74.8	-17.5	177.8	29.1	-33.5	0	0	0	113	W104 L105	P60-W104 HydrophobicContact CG-CB 4.31Å; P60-L105 VanDerWaalsContact CG-O 3.32Å; P60-L105 WeakPolarHBondContact CG-O 3.17Å
61	T	88.1	Confident	95	Very high	68 Å²	68	18.2 Å²	18.2	42%	0.417	10%	0.102	S	C	.	.	S	Bend	trans	-103.4	-38.5	-178.4	56.5	0	0	0	0	113.1	S59	S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 3.03Å; S59-T61 PolarHBondContact OG-N 2.87Å; S59-T61 PolarHBondContact OG-OG1 2.99Å
62	L	90.5	Very high	95.1	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.063	11%	0.107	C	C	.	.			trans	-116.5	98.1	179.5	-61.8	176.3	0	0	0	108.4	F6 V9 N10 E13 S59 D64 L65	F6-L62 HydrophobicContact CD1-CD1 3.9Å; V9-L62 HydrophobicContact CB-CD1 4.43Å; V9-L62 HydrophobicContact CG1-CB 4.44Å; V9-L62 HydrophobicContact CG1-CD1 4.17Å; N10-L62 HydrophobicContact CB-CD2 4.03Å; E13-L62 VanDerWaalsContact OE2-CD2 3.23Å; E13-L62 WeakPolarHBondContact OE2-CD2 3.37Å; S59-L62 VanDerWaalsContact CB-O 3.31Å; S59-L62 WeakPolarHBondContact CB-O 3.02Å; S59-L62 PolarHBondContact OG-N 3.37Å; L62-D64 PolarHBondContact O-N 2.73Å; L62-D64 VanDerWaalsContact O-N 3.09Å; L62-L65 HydrophobicContact CB-CB 4.39Å; L62-L65 HydrophobicContact CB-CD1 3.95Å; L62-L65 HydrophobicContact CB-CG 3.94Å; L62-L65 HydrophobicContact CD1-CD1 3.56Å; L62-L65 HydrophobicContact CD1-CG 4.33Å; L62-L65 HydrophobicContact CG-CD1 4.4Å; L62-L65 PolarHBondContact O-N 2.96Å
63	T	87.9	Confident	95.1	Very high	31 Å²	31	18.1 Å²	18.1	19%	0.19	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	-169.6	63.5	0	0	0	0	113.6	E13 C372	E13-T63 PolarHBondContact OE1-N 3.23Å; E13-T63 PolarHBondContact OE1-OG1 3.46Å; T63-C372 PolarHBondContact O-SG 3.02Å
64	D	91.1	Very high	95.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-18.4	-179.7	-67.9	-30.4	0	0	0	113.4	E13 R16 L62 T80 S81 R378	E13-D64 PolarHBondContact OE1-N 3.44Å; R16-D64 IonicContact CZ-OD2 3.8Å; R16-D64 IonicContact NH1-OD1 2.75Å; R16-D64 PolarHBondContact NH1-OD1 3.1Å; R16-D64 IonicContact NH1-OD2 3.87Å; R16-D64 PolarHBondContact NH1-OD2 2.92Å; R16-D64 IonicContact NH2-OD2 2.71Å; L62-D64 PolarHBondContact O-N 2.73Å; L62-D64 VanDerWaalsContact O-N 3.09Å; D64-T80 WeakPolarHBondContact O-CB 3.37Å; D64-T80 PolarHBondContact O-N 3.36Å; D64-T80 PolarHBondContact O-OG1 3.47Å; D64-S81 VanDerWaalsContact CG-CB 3.49Å; D64-S81 VanDerWaalsContact OD2-CB 3.31Å; D64-S81 WeakPolarHBondContact OD2-CB 3.33Å; D64-S81 PolarHBondContact OD2-OG 3.01Å; D64-R378 IonicContact OD1-CZ 3.51Å; D64-R378 IonicContact OD1-NH1 2.94Å; D64-R378 PolarHBondContact OD1-NH1 3.15Å; D64-R378 IonicContact OD1-NH2 3.71Å
65	L	95.2	Very high	95.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.4	-176	-63.8	-171.6	0	0	0	112.8	F6 V9 F58 S59 L62 L77 Y78 D79 L89	F6-L65 HydrophobicContact CD1-CD1 3.86Å; F6-L65 HydrophobicContact CE1-CD1 3.63Å; V9-L65 HydrophobicContact CG1-CD2 4.18Å; V9-L65 HydrophobicContact CG1-CG 4.19Å; V9-L65 HydrophobicContact CG2-CD2 4.2Å; F58-L65 CarbonylContact C-O 3.51Å; F58-L65 WeakPolarHBondContact CA-O 3.2Å; S59-L65 PolarHBondContact N-O 3.23Å; L62-L65 HydrophobicContact CB-CB 4.39Å; L62-L65 HydrophobicContact CB-CD1 3.95Å; L62-L65 HydrophobicContact CB-CG 3.94Å; L62-L65 HydrophobicContact CD1-CD1 3.56Å; L62-L65 HydrophobicContact CD1-CG 4.33Å; L62-L65 HydrophobicContact CG-CD1 4.4Å; L62-L65 PolarHBondContact O-N 2.96Å; L65-L77 HydrophobicContact CB-CD1 4.26Å; L65-L77 HydrophobicContact CD1-CD1 4.48Å; L65-Y78 WeakPolarHBondContact CA-O 3.49Å; L65-D79 HydrophobicContact CD2-CB 4.11Å; L65-L89 HydrophobicContact CD2-CD1 3.56Å
66	I	97	Very high	95.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.8	175.9	-163.7	176.2	0	0	0	111.7	C56 D57 F58 Y78 T80 V380	C56-I66 HydrophobicContact CB-CD1 3.82Å; C56-I66 HydrophobicContact CB-CG1 4.09Å; D57-I66 WeakPolarHBondContact O-CG1 3.4Å; F58-I66 HydrophobicContact CD1-CB 3.95Å; F58-I66 HydrophobicContact CD1-CD1 4.33Å; F58-I66 HydrophobicContact CD1-CG1 4.19Å; F58-I66 HydrophobicContact CD2-CD1 4.04Å; F58-I66 HydrophobicContact CD2-CG1 4.38Å; F58-I66 HydrophobicContact CE1-CB 4.03Å; F58-I66 HydrophobicContact CE1-CD1 4.06Å; F58-I66 HydrophobicContact CE1-CG1 4.32Å; F58-I66 HydrophobicContact CE2-CD1 3.75Å; F58-I66 HydrophobicContact CG-CB 4.46Å; F58-I66 HydrophobicContact CG-CD1 4.33Å; F58-I66 HydrophobicContact CG-CG1 4.23Å; F58-I66 HydrophobicContact CZ-CD1 3.78Å; F58-I66 HydrophobicContact CZ-CG1 4.5Å; I66-Y78 PolarHBondContact N-O 2.94Å; I66-Y78 PolarHBondContact O-N 2.96Å; I66-T80 HydrophobicContact CB-CG2 4.22Å; I66-T80 HydrophobicContact CG2-CG2 3.59Å; I66-V380 HydrophobicContact CD1-CB 3.83Å; I66-V380 HydrophobicContact CD1-CG1 3.83Å; I66-V380 HydrophobicContact CD1-CG2 3.91Å
67	L	98.2	Very high	95	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.4	168.9	-68.2	169	0	0	0	110.1	C56 D57 V75 H76 L77 Y92 V102 W104 F111	C56-L67 CarbonylContact C-O 3.53Å; C56-L67 WeakPolarHBondContact CA-O 3.47Å; C56-L67 WeakPolarHBondContact CB-O 3.43Å; D57-L67 PolarHBondContact N-O 3.41Å; D57-L67 VanDerWaalsContact N-O 3.07Å; D57-L67 PolarHBondContact O-N 2.82Å; L67-V75 HydrophobicContact CB-CG1 4.09Å; L67-V75 HydrophobicContact CD2-CG1 3.84Å; L67-V75 HydrophobicContact CG-CG1 4.44Å; L67-H76 CarbonylContact C-O 3.5Å; L67-H76 VanDerWaalsContact CA-O 3.27Å; L67-H76 WeakPolarHBondContact CA-O 3.24Å; L67-L77 HydrophobicContact CD2-CB 4.31Å; L67-L77 HydrophobicContact CD2-CD1 3.95Å; L67-Y92 HydrophobicContact CD2-CE2 3.91Å; L67-V102 HydrophobicContact CB-CG1 4.14Å; L67-V102 HydrophobicContact CB-CG2 3.83Å; L67-V102 HydrophobicContact CD1-CG2 3.66Å; L67-V102 HydrophobicContact CG-CG2 4.35Å; L67-W104 HydrophobicContact CD1-CD2 3.7Å; L67-W104 HydrophobicContact CD1-CE3 4.38Å; L67-W104 HydrophobicContact CD1-CG 4.01Å; L67-W104 HydrophobicContact CD1-CH2 4.35Å; L67-W104 HydrophobicContact CD1-CZ2 3.67Å; L67-W104 VanDerWaalsContact CD1-NE1 3.35Å; L67-W104 HydrophobicContact CD2-CZ2 3.89Å; L67-W104 HydrophobicContact CG-CD2 4.37Å; L67-W104 VanDerWaalsContact CG-CE2 3.46Å; L67-W104 HydrophobicContact CG-CH2 4.47Å; L67-W104 HydrophobicContact CG-CZ2 3.53Å; L67-F111 HydrophobicContact CD1-CB 3.49Å; L67-F111 VanDerWaalsContact CD1-CB 3.49Å; L67-F111 HydrophobicContact CD1-CD1 3.73Å; L67-F111 HydrophobicContact CD1-CD2 3.76Å; L67-F111 HydrophobicContact CD1-CE1 4.38Å; L67-F111 HydrophobicContact CD1-CE2 4.4Å; L67-F111 HydrophobicContact CD1-CG 3.38Å; L67-F111 HydrophobicContact CD2-CD1 4.31Å; L67-F111 HydrophobicContact CD2-CE1 4.2Å; L67-F111 HydrophobicContact CD2-CZ 4.39Å
68	I	98.1	Very high	95	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.9	176.1	-59.6	175.2	0	0	0	109	L43 P53 C56 Q70 V75 H76 Y78 L382 A388	L43-I68 HydrophobicContact CD1-CG2 3.86Å; L43-I68 HydrophobicContact CD2-CD1 3.92Å; L43-I68 HydrophobicContact CD2-CG2 4.5Å; P53-I68 HydrophobicContact CB-CG2 3.66Å; C56-I68 HydrophobicContact CB-CG1 4.08Å; I68-Q70 HydrophobicContact CG2-CG 4.48Å; I68-V75 CarbonylContact O-C 3.58Å; I68-V75 VanDerWaalsContact O-CA 3.26Å; I68-V75 WeakPolarHBondContact O-CA 3.31Å; I68-H76 HydrophobicContact CB-CB 4.44Å; I68-H76 PolarHBondContact N-O 3.08Å; I68-H76 PolarHBondContact O-N 3Å; I68-Y78 HydrophobicContact CD1-CD2 3.7Å; I68-Y78 HydrophobicContact CD1-CE2 3.91Å; I68-Y78 HydrophobicContact CG1-CD2 4.41Å; I68-L382 HydrophobicContact CD1-CD2 3.9Å; I68-L382 HydrophobicContact CG1-CD2 4.3Å; I68-L382 HydrophobicContact CG2-CD1 4.09Å; I68-L382 HydrophobicContact CG2-CD2 4.22Å; I68-A388 HydrophobicContact CD1-CB 4.02Å
69	A	98	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.9	-179.9	0	0	0	0	0	111.8	P53 F54 A55 V75 V99 V102	P53-A69 CarbonylContact C-O 3.59Å; P53-A69 WeakPolarHBondContact CA-O 3.5Å; F54-A69 PolarHBondContact N-O 3.32Å; A55-A69 HydrophobicContact CB-CB 4.2Å; A55-A69 PolarHBondContact O-N 2.95Å; A69-V75 HydrophobicContact CB-CG2 4.49Å; A69-V99 HydrophobicContact CB-CB 3.89Å; A69-V99 HydrophobicContact CB-CG1 3.66Å; A69-V102 HydrophobicContact CB-CB 4.03Å; A69-V102 HydrophobicContact CB-CG1 3.84Å
70	Q	96.3	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	166.1	-171	-64.2	-172.2	-82.6	0	0	114.4	S51 I68 D72 L74 H76 V99	S51-Q70 PolarHBondContact O-NE2 3.37Å; I68-Q70 HydrophobicContact CG2-CG 4.48Å; Q70-D72 VanDerWaalsContact CB-OD1 3.22Å; Q70-D72 WeakPolarHBondContact CB-OD1 3.24Å; Q70-L74 PolarHBondContact N-O 3.11Å; Q70-H76 PolarHBondContact OE1-CD2 3.27Å; Q70-H76 PolarHBondContact OE1-CE1 2.94Å; Q70-H76 PolarHBondContact OE1-NE2 3.29Å; Q70-H76 VanDerWaalsContact OE1-NE2 3.1Å; Q70-V99 PolarHBondContact O-N 3.01Å
71	E	96.3	Very high	94.8	Very high	99 Å²	99	14.3 Å²	14.3	46%	0.463	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-30.2	-179.6	-175.8	171.2	-177.4	0	0	114.6	S51 P52 F54 G73 A98	S51-E71 PolarHBondContact OG-N 3.1Å; P52-E71 VanDerWaalsContact CD-OE2 3.25Å; P52-E71 WeakPolarHBondContact CD-OE2 3.22Å; P52-E71 WeakPolarHBondContact CG-OE2 3.37Å; P52-E71 PolarHBondContact O-N 2.88Å; F54-E71 HydrophobicContact CD2-CB 4.47Å; F54-E71 HydrophobicContact CE2-CB 3.54Å; F54-E71 HydrophobicContact CE2-CG 3.88Å; F54-E71 HydrophobicContact CZ-CB 3.88Å; F54-E71 HydrophobicContact CZ-CG 4.05Å; E71-G73 PolarHBondContact O-N 3.28Å; E71-A98 HydrophobicContact CG-CB 4.24Å; E71-A98 WeakPolarHBondContact O-CA 3.14Å; E71-A98 WeakPolarHBondContact O-CB 3.24Å; E71-A98 PolarHBondContact O-N 3.08Å; E71-A98 VanDerWaalsContact O-N 3.11Å
72	D	95.2	Very high	94.9	Very high	21 Å²	21	12.1 Å²	12.1	11%	0.112	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.5	179.5	61.1	-7	0	0	0	114.5	S45 L47 S51 Q70 L74	S45-D72 WeakPolarHBondContact CB-OD2 3.37Å; S45-D72 PolarHBondContact OG-OD2 2.82Å; L47-D72 HydrophobicContact CB-CB 4.16Å; L47-D72 HydrophobicContact CD1-CB 4.22Å; S51-D72 WeakPolarHBondContact OG-CB 3.46Å; S51-D72 PolarHBondContact OG-N 2.9Å; S51-D72 VanDerWaalsContact OG-N 3.13Å; S51-D72 PolarHBondContact OG-OD1 2.87Å; S51-D72 PolarHBondContact OG-OD2 3.36Å; Q70-D72 VanDerWaalsContact CB-OD1 3.22Å; Q70-D72 WeakPolarHBondContact CB-OD1 3.24Å; D72-L74 WeakPolarHBondContact OD1-CB 3.12Å; D72-L74 PolarHBondContact OD1-N 2.8Å; D72-L74 VanDerWaalsContact OD2-CD1 3.29Å; D72-L74 WeakPolarHBondContact OD2-CD1 3.3Å; D72-L74 WeakPolarHBondContact OD2-CG 3.45Å
73	G	95.8	Very high	95	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	98.1	-1.3	-177.7	0	0	0	0	0	114.4	E71 A94 H95 N97	E71-G73 PolarHBondContact O-N 3.28Å; G73-A94 PolarHBondContact O-N 3.34Å; G73-H95 CarbonylContact C-O 3.52Å; G73-H95 WeakPolarHBondContact CA-O 3.29Å; G73-H95 PolarHBondContact O-N 3.14Å; G73-N97 VanDerWaalsContact CA-O 3.27Å; G73-N97 WeakPolarHBondContact CA-O 3.39Å
74	L	96.8	Very high	95.1	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153.5	176.2	-59.3	-176.5	0	0	0	111.9	L47 Q70 D72 Y92 E93	L47-L74 HydrophobicContact CD1-CD2 4.46Å; L47-L74 HydrophobicContact CD1-CG 4.47Å; Q70-L74 PolarHBondContact N-O 3.11Å; D72-L74 WeakPolarHBondContact OD1-CB 3.12Å; D72-L74 PolarHBondContact OD1-N 2.8Å; D72-L74 VanDerWaalsContact OD2-CD1 3.29Å; D72-L74 WeakPolarHBondContact OD2-CD1 3.3Å; D72-L74 WeakPolarHBondContact OD2-CG 3.45Å; L74-Y92 WeakPolarHBondContact CA-O 3.3Å; L74-E93 HydrophobicContact CD2-CB 4.37Å; L74-E93 HydrophobicContact CD2-CG 3.85Å
75	V	97.7	Very high	95	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.3	163.2	178.6	0	0	0	0	108.4	L67 I68 A69 H91 Y92 A94 V99 V102 F111 T113	L67-V75 HydrophobicContact CB-CG1 4.09Å; L67-V75 HydrophobicContact CD2-CG1 3.84Å; L67-V75 HydrophobicContact CG-CG1 4.44Å; I68-V75 CarbonylContact O-C 3.58Å; I68-V75 VanDerWaalsContact O-CA 3.26Å; I68-V75 WeakPolarHBondContact O-CA 3.31Å; A69-V75 HydrophobicContact CB-CG2 4.49Å; V75-H91 CarbonylContact O-C 3.6Å; V75-H91 WeakPolarHBondContact O-CA 3.3Å; V75-Y92 HydrophobicContact CB-CD2 4.2Å; V75-Y92 HydrophobicContact CG1-CD2 4.25Å; V75-Y92 PolarHBondContact N-O 3.27Å; V75-Y92 VanDerWaalsContact O-CD2 3.29Å; V75-Y92 WeakPolarHBondContact O-CD2 3.24Å; V75-Y92 PolarHBondContact O-N 2.97Å; V75-A94 HydrophobicContact CG2-CB 3.89Å; V75-V99 HydrophobicContact CG2-CG1 4.19Å; V75-V99 HydrophobicContact CG2-CG2 4.3Å; V75-V102 HydrophobicContact CG1-CG2 4.17Å; V75-F111 HydrophobicContact CG1-CE2 4.19Å; V75-T113 HydrophobicContact CG2-CG2 3.68Å
76	H	96.7	Very high	94.8	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.6	176.3	-70.2	-172.8	0	0	0	111.4	H44 L67 I68 Q70 Y78 F88 H91	H44-H76 PolarHBondContact O-CE1 2.82Å; L67-H76 CarbonylContact C-O 3.5Å; L67-H76 VanDerWaalsContact CA-O 3.27Å; L67-H76 WeakPolarHBondContact CA-O 3.24Å; I68-H76 HydrophobicContact CB-CB 4.44Å; I68-H76 PolarHBondContact N-O 3.08Å; I68-H76 PolarHBondContact O-N 3Å; Q70-H76 PolarHBondContact OE1-CD2 3.27Å; Q70-H76 PolarHBondContact OE1-CE1 2.94Å; Q70-H76 PolarHBondContact OE1-NE2 3.29Å; Q70-H76 VanDerWaalsContact OE1-NE2 3.1Å; H76-Y78 HydrophobicContact CB-CD2 3.86Å; H76-Y78 HydrophobicContact CB-CE2 3.45Å; H76-Y78 VanDerWaalsContact CB-CE2 3.45Å; H76-Y78 AromaticContact ND1-CE2 3.72Å; H76-F88 HydrophobicContact CB-CE2 4.18Å; H76-F88 AromaticContact CG-CE2 3.82Å; H76-F88 AromaticContact ND1-CE2 3.84Å; H76-H91 VanDerWaalsContact CD2-CB 3.47Å; H76-H91 WeakPolarHBondContact CD2-CB 3.16Å
77	L	97.1	Very high	94.7	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.1	167.5	-179.1	65.2	0	0	0	109.4	F6 L65 L67 L89 K90 Y92 W104	F6-L77 HydrophobicContact CE1-CD2 4.48Å; F6-L77 HydrophobicContact CE2-CD2 4.37Å; F6-L77 HydrophobicContact CZ-CD2 3.8Å; L65-L77 HydrophobicContact CB-CD1 4.26Å; L65-L77 HydrophobicContact CD1-CD1 4.48Å; L67-L77 HydrophobicContact CD2-CB 4.31Å; L67-L77 HydrophobicContact CD2-CD1 3.95Å; L77-L89 HydrophobicContact CB-CB 4.47Å; L77-L89 HydrophobicContact CD2-CB 4.22Å; L77-L89 HydrophobicContact CD2-CD1 3.99Å; L77-L89 HydrophobicContact CG-CB 4.2Å; L77-L89 HydrophobicContact CG-CD1 3.96Å; L77-L89 WeakPolarHBondContact O-CB 3.38Å; L77-L89 PolarHBondContact O-N 3.28Å; L77-K90 PolarHBondContact N-O 2.56Å; L77-Y92 HydrophobicContact CB-CE2 3.96Å; L77-W104 HydrophobicContact CD1-CH2 4.32Å; L77-W104 HydrophobicContact CD1-CZ2 3.79Å
78	Y	96	Very high	94.5	Very high	14 Å²	14	31.1 Å²	31.1	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.5	175.1	-76.4	-96.9	0	0	0	111.6	Y41 L43 L65 I66 I68 H76 A87 F88	Y41-Y78 HydrophobicContact CG-CE1 4.29Å; L43-Y78 HydrophobicContact CD2-CE2 3.66Å; L43-Y78 WeakPolarHBondContact CD2-OH 3.19Å; L65-Y78 WeakPolarHBondContact CA-O 3.49Å; I66-Y78 PolarHBondContact N-O 2.94Å; I66-Y78 PolarHBondContact O-N 2.96Å; I68-Y78 HydrophobicContact CD1-CD2 3.7Å; I68-Y78 HydrophobicContact CD1-CE2 3.91Å; I68-Y78 HydrophobicContact CG1-CD2 4.41Å; H76-Y78 HydrophobicContact CB-CD2 3.86Å; H76-Y78 HydrophobicContact CB-CE2 3.45Å; H76-Y78 VanDerWaalsContact CB-CE2 3.45Å; H76-Y78 AromaticContact ND1-CE2 3.72Å; Y78-A87 CarbonylContact C-O 3.52Å; Y78-A87 WeakPolarHBondContact CA-O 3.49Å; Y78-A87 HydrophobicContact CD1-CB 4.21Å; Y78-F88 HydrophobicContact CD1-CB 4.19Å; Y78-F88 HydrophobicContact CE1-CB 3.72Å; Y78-F88 HydrophobicContact CE1-CD2 4.12Å; Y78-F88 HydrophobicContact CE1-CG 4.43Å; Y78-F88 HydrophobicContact CE2-CD2 4.03Å; Y78-F88 AromaticContact CZ-CD2 3.73Å
79	D	94.8	Very high	94.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.2	162.5	-178.9	-10	0	0	0	108.5	R12 L65 S81 V82 A87 L89	R12-D79 IonicContact NH1-OD2 3.32Å; R12-D79 PolarHBondContact NH1-OD2 3.22Å; L65-D79 HydrophobicContact CD2-CB 4.11Å; D79-S81 PolarHBondContact O-N 3.41Å; D79-S81 VanDerWaalsContact OD1-CB 3.32Å; D79-S81 WeakPolarHBondContact OD1-CB 3.13Å; D79-S81 PolarHBondContact OD1-N 2.76Å; D79-S81 PolarHBondContact OD1-OG 3.44Å; D79-S81 PolarHBondContact OD2-OG 3.23Å; D79-V82 HydrophobicContact CB-CG2 4.43Å; D79-V82 PolarHBondContact O-N 3.23Å; D79-V82 VanDerWaalsContact OD2-CG2 3.32Å; D79-V82 WeakPolarHBondContact OD2-CG2 3.4Å; D79-A87 PolarHBondContact N-O 3.02Å; D79-L89 HydrophobicContact CB-CD1 3.93Å; D79-L89 HydrophobicContact CB-CD2 4.21Å; D79-L89 HydrophobicContact CB-CG 4.14Å
80	T	93.6	Very high	94.1	Very high	4 Å²	4	37 Å²	37	3%	0.025	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.1	-177.7	61.6	0	0	0	0	113.7	F58 D64 I66 R378 V380 V390	F58-T80 HydrophobicContact CE1-CG2 3.99Å; D64-T80 WeakPolarHBondContact O-CB 3.37Å; D64-T80 PolarHBondContact O-N 3.36Å; D64-T80 PolarHBondContact O-OG1 3.47Å; I66-T80 HydrophobicContact CB-CG2 4.22Å; I66-T80 HydrophobicContact CG2-CG2 3.59Å; T80-R378 PolarHBondContact OG1-NH1 3.04Å; T80-V380 HydrophobicContact CG2-CG2 4.08Å; T80-V390 HydrophobicContact CG2-CG2 3.95Å
81	S	90	Very high	94.1	Very high	33 Å²	33	40.4 Å²	40.4	23%	0.231	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.9	176.4	76.3	0	0	0	0	113.6	D64 D79	D64-S81 VanDerWaalsContact CG-CB 3.49Å; D64-S81 VanDerWaalsContact OD2-CB 3.31Å; D64-S81 WeakPolarHBondContact OD2-CB 3.33Å; D64-S81 PolarHBondContact OD2-OG 3.01Å; D79-S81 PolarHBondContact O-N 3.41Å; D79-S81 VanDerWaalsContact OD1-CB 3.32Å; D79-S81 WeakPolarHBondContact OD1-CB 3.13Å; D79-S81 PolarHBondContact OD1-N 2.76Å; D79-S81 PolarHBondContact OD1-OG 3.44Å; D79-S81 PolarHBondContact OD2-OG 3.23Å
82	V	91.2	Very high	94.1	Very high	22 Å²	22	36 Å²	36	13%	0.133	19%	0.193	C	C	.	.	S	Bend	trans	-96.4	137.2	-179.8	179.1	0	0	0	0	109.3	R12 Y41 D79 Q86 A87	R12-V82 VanDerWaalsContact NH1-CG2 3.29Å; Y41-V82 PolarHBondContact OH-O 2.92Å; D79-V82 HydrophobicContact CB-CG2 4.43Å; D79-V82 PolarHBondContact O-N 3.23Å; D79-V82 VanDerWaalsContact OD2-CG2 3.32Å; D79-V82 WeakPolarHBondContact OD2-CG2 3.4Å; V82-Q86 HydrophobicContact CG1-CB 3.63Å; V82-A87 VanDerWaalsContact O-CB 3.27Å; V82-A87 WeakPolarHBondContact O-CB 3.42Å
83	T	91	Very high	94	Very high	60 Å²	60	42 Å²	42	37%	0.368	22%	0.221	S	C	.	.			trans	-97.9	151.9	176.2	64.8	0	0	0	0	111.8	N38 Q39	N38-T83 VanDerWaalsContact ND2-CB 3.27Å; N38-T83 WeakPolarHBondContact ND2-CB 3.45Å; N38-T83 PolarHBondContact ND2-OG1 3.34Å; Q39-T83 HydrophobicContact CG-CG2 3.72Å
84	G	91.2	Very high	94.1	Very high	27 Å²	27	42.1 Å²	42.1	28%	0.278	22%	0.221	S	C	.	.	S	Bend	trans	81.7	-159.8	177	0	0	0	0	0	113.4	N38 Y41 Q86 A87	N38-G84 PolarHBondContact O-N 2.96Å; Y41-G84 VanDerWaalsContact CE1-O 3.31Å; Y41-G84 WeakPolarHBondContact CE1-O 3.12Å; G84-Q86 PolarHBondContact O-N 2.83Å; G84-A87 VanDerWaalsContact O-CB 3.29Å; G84-A87 WeakPolarHBondContact O-CB 3.15Å; G84-A87 PolarHBondContact O-N 2.77Å; G84-A87 VanDerWaalsContact O-N 3.14Å
85	T	89.1	Confident	94	Very high	135 Å²	135	42.1 Å²	42.1	83%	0.828	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.5	-23.5	-172.3	53.3	0	0	0	0	114	A87 F88	T85-A87 PolarHBondContact O-N 3.04Å; T85-F88 PolarHBondContact O-N 2.54Å
86	Q	90.4	Very high	93.8	Very high	146 Å²	146	49 Å²	49	68%	0.682	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-71.7	-13.9	178.2	-64.3	-178.6	-2.6	0	0	113.6	V82 G84 F88	V82-Q86 HydrophobicContact CG1-CB 3.63Å; G84-Q86 PolarHBondContact O-N 2.83Å; Q86-F88 PolarHBondContact O-N 2.85Å
87	A	94.3	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-64.4	-31.1	174.7	0	0	0	0	0	111.8	Y41 Y78 D79 V82 G84 T85 L89	Y41-A87 HydrophobicContact CD1-CB 4.33Å; Y41-A87 HydrophobicContact CE1-CB 3.45Å; Y41-A87 VanDerWaalsContact CE1-CB 3.45Å; Y41-A87 HydrophobicContact CE2-CB 4.45Å; Y41-A87 WeakPolarHBondContact OH-CB 3.19Å; Y78-A87 CarbonylContact C-O 3.52Å; Y78-A87 WeakPolarHBondContact CA-O 3.49Å; Y78-A87 HydrophobicContact CD1-CB 4.21Å; D79-A87 PolarHBondContact N-O 3.02Å; V82-A87 VanDerWaalsContact O-CB 3.27Å; V82-A87 WeakPolarHBondContact O-CB 3.42Å; G84-A87 VanDerWaalsContact O-CB 3.29Å; G84-A87 WeakPolarHBondContact O-CB 3.15Å; G84-A87 PolarHBondContact O-N 2.77Å; G84-A87 VanDerWaalsContact O-N 3.14Å; T85-A87 PolarHBondContact O-N 3.04Å; A87-L89 PolarHBondContact O-N 3.33Å
88	F	94.9	Very high	93.7	Very high	77 Å²	77	52.6 Å²	52.6	34%	0.338	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.3	174.3	174.6	-101	0	0	0	109.9	H76 Y78 T85 Q86 H91	H76-F88 HydrophobicContact CB-CE2 4.18Å; H76-F88 AromaticContact CG-CE2 3.82Å; H76-F88 AromaticContact ND1-CE2 3.84Å; Y78-F88 HydrophobicContact CD1-CB 4.19Å; Y78-F88 HydrophobicContact CE1-CB 3.72Å; Y78-F88 HydrophobicContact CE1-CD2 4.12Å; Y78-F88 HydrophobicContact CE1-CG 4.43Å; Y78-F88 HydrophobicContact CE2-CD2 4.03Å; Y78-F88 AromaticContact CZ-CD2 3.73Å; T85-F88 PolarHBondContact O-N 2.54Å; Q86-F88 PolarHBondContact O-N 2.85Å; F88-H91 HydrophobicContact CE2-CB 4.29Å; F88-H91 HydrophobicContact CZ-CB 3.99Å; F88-H91 AromaticContact CZ-ND1 3.9Å
89	L	94	Very high	93.9	Very high	48 Å²	48	51.9 Å²	51.9	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-51.6	-177.2	-62.1	179.1	0	0	0	112.1	V5 L65 L77 D79 A87	V5-L89 HydrophobicContact CG1-CB 4.18Å; V5-L89 HydrophobicContact CG1-CD1 3.63Å; V5-L89 HydrophobicContact CG1-CD2 3.86Å; V5-L89 HydrophobicContact CG1-CG 4.1Å; L65-L89 HydrophobicContact CD2-CD1 3.56Å; L77-L89 HydrophobicContact CB-CB 4.47Å; L77-L89 HydrophobicContact CD2-CB 4.22Å; L77-L89 HydrophobicContact CD2-CD1 3.99Å; L77-L89 HydrophobicContact CG-CB 4.2Å; L77-L89 HydrophobicContact CG-CD1 3.96Å; L77-L89 WeakPolarHBondContact O-CB 3.38Å; L77-L89 PolarHBondContact O-N 3.28Å; D79-L89 HydrophobicContact CB-CD1 3.93Å; D79-L89 HydrophobicContact CB-CD2 4.21Å; D79-L89 HydrophobicContact CB-CG 4.14Å; A87-L89 PolarHBondContact O-N 3.33Å
90	K	94.2	Very high	94	Very high	77 Å²	77	52.8 Å²	52.8	34%	0.335	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	156.5	-174	-167.2	174.2	175.6	-177.8	0	110.5	L77 Y92 E126 T127	L77-K90 PolarHBondContact N-O 2.56Å; K90-Y92 HydrophobicContact CD-CE1 4.28Å; K90-E126 PolarHBondContact NZ-O 3.15Å; K90-T127 PolarHBondContact NZ-O 3.3Å; K90-T127 VanDerWaalsContact NZ-O 3.1Å
91	H	94.8	Very high	94.3	Very high	72 Å²	72	53 Å²	53	33%	0.333	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.2	163.7	65.7	-95.4	0	0	0	110.8	V75 H76 F88	V75-H91 CarbonylContact O-C 3.6Å; V75-H91 WeakPolarHBondContact O-CA 3.3Å; H76-H91 VanDerWaalsContact CD2-CB 3.47Å; H76-H91 WeakPolarHBondContact CD2-CB 3.16Å; F88-H91 HydrophobicContact CE2-CB 4.29Å; F88-H91 HydrophobicContact CZ-CB 3.99Å; F88-H91 AromaticContact CZ-ND1 3.9Å
92	Y	96.4	Very high	94.7	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	173.7	-50.2	-85	0	0	0	108.6	L67 L74 V75 L77 K90 A94 F111 I123 A125	L67-Y92 HydrophobicContact CD2-CE2 3.91Å; L74-Y92 WeakPolarHBondContact CA-O 3.3Å; V75-Y92 HydrophobicContact CB-CD2 4.2Å; V75-Y92 HydrophobicContact CG1-CD2 4.25Å; V75-Y92 PolarHBondContact N-O 3.27Å; V75-Y92 VanDerWaalsContact O-CD2 3.29Å; V75-Y92 WeakPolarHBondContact O-CD2 3.24Å; V75-Y92 PolarHBondContact O-N 2.97Å; L77-Y92 HydrophobicContact CB-CE2 3.96Å; K90-Y92 HydrophobicContact CD-CE1 4.28Å; Y92-A94 PolarHBondContact O-N 3.25Å; Y92-F111 HydrophobicContact CD1-CE1 4.4Å; Y92-F111 HydrophobicContact CD1-CZ 4.09Å; Y92-F111 HydrophobicContact CD2-CE1 4.05Å; Y92-F111 HydrophobicContact CD2-CE2 4.46Å; Y92-F111 AromaticContact CD2-CZ 3.5Å; Y92-F111 HydrophobicContact CD2-CZ 3.5Å; Y92-F111 HydrophobicContact CE1-CE1 4.11Å; Y92-F111 HydrophobicContact CE1-CZ 4.25Å; Y92-F111 AromaticContact CE2-CE1 3.74Å; Y92-F111 HydrophobicContact CE2-CE1 3.74Å; Y92-F111 AromaticContact CE2-CZ 3.69Å; Y92-F111 HydrophobicContact CE2-CZ 3.69Å; Y92-F111 HydrophobicContact CG-CE1 4.38Å; Y92-F111 AromaticContact CG-CZ 3.72Å; Y92-F111 HydrophobicContact CG-CZ 3.72Å; Y92-F111 AromaticContact CZ-CE1 3.78Å; Y92-I123 HydrophobicContact CD1-CG2 4.31Å; Y92-A125 WeakPolarHBondContact CE1-O 3.47Å; Y92-A125 PolarHBondContact OH-O 2.94Å
93	E	95	Very high	95	Very high	148 Å²	148	52.9 Å²	52.9	69%	0.692	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	68.5	167.2	-65.7	-174.3	170.6	0	0	109.4	L74	L74-E93 HydrophobicContact CD2-CB 4.37Å; L74-E93 HydrophobicContact CD2-CG 3.85Å
94	A	96.1	Very high	95.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	26%	0.258	C	S	.	.			trans	-68.5	-43	-169.9	0	0	0	0	0	111.2	G73 V75 Y92 T113 R121 I123	G73-A94 PolarHBondContact O-N 3.34Å; V75-A94 HydrophobicContact CG2-CB 3.89Å; Y92-A94 PolarHBondContact O-N 3.25Å; A94-T113 HydrophobicContact CB-CG2 4.11Å; A94-R121 WeakPolarHBondContact O-CD 3.32Å; A94-R121 PolarHBondContact O-NE 2.82Å; A94-R121 PolarHBondContact O-NH1 3.12Å; A94-I123 HydrophobicContact CB-CD1 3.57Å
95	H	96	Very high	95.5	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.019	25%	0.247	C	C	.	.			trans	-144.9	166.8	-177.4	-68.3	-94.5	0	0	0	111.9	G73 N97 V99 T113 S115 D117 S119 R121	G73-H95 CarbonylContact C-O 3.52Å; G73-H95 WeakPolarHBondContact CA-O 3.29Å; G73-H95 PolarHBondContact O-N 3.14Å; H95-N97 VanDerWaalsContact C-N 3.33Å; H95-N97 WeakPolarHBondContact CB-O 3.22Å; H95-V99 HydrophobicContact CB-CG2 4.27Å; H95-T113 PolarHBondContact NE2-OG1 2.79Å; H95-S115 WeakPolarHBondContact CB-OG 3.35Å; H95-S115 VanDerWaalsContact CE1-CB 3.43Å; H95-S115 WeakPolarHBondContact CE1-CB 3.46Å; H95-S115 WeakPolarHBondContact ND1-CB 3.32Å; H95-D117 IonicContact CE1-OD1 3.34Å; H95-D117 IonicContact CE1-OD2 2.68Å; H95-D117 IonicContact CG-OD2 3.67Å; H95-D117 IonicContact ND1-OD1 3.57Å; H95-D117 PolarHBondContact ND1-OD1 3.18Å; H95-D117 VanDerWaalsContact ND1-OD1 3.17Å; H95-D117 IonicContact ND1-OD2 3.47Å; H95-D117 PolarHBondContact ND1-OD2 3.35Å; H95-S119 PolarHBondContact CE1-OG 2.85Å; H95-R121 VanDerWaalsContact CE1-CD 3.44Å; H95-R121 WeakPolarHBondContact CE1-CD 3.18Å; H95-R121 PolarHBondContact CE1-NE 3.01Å; H95-R121 PolarHBondContact ND1-NE 3.15Å
96	N	93.3	Very high	95.5	Very high	146 Å²	146	46.6 Å²	46.6	78%	0.781	23%	0.231	S	C	*	.	S	Bend	trans	-99.5	24	174.8	-58.3	-1.7	0	0	0	111.7
97	N	95.6	Very high	95.3	Very high	76 Å²	76	42.8 Å²	42.8	41%	0.406	22%	0.221	S	C	.	.	S	Bend	trans	-163.7	159.6	-176.8	-160.6	-13.7	0	0	0	108.4	G73 H95 V99 S115 G116 D117	G73-N97 VanDerWaalsContact CA-O 3.27Å; G73-N97 WeakPolarHBondContact CA-O 3.39Å; H95-N97 VanDerWaalsContact C-N 3.33Å; H95-N97 WeakPolarHBondContact CB-O 3.22Å; N97-V99 PolarHBondContact O-N 3.27Å; N97-S115 PolarHBondContact O-OG 2.9Å; N97-G116 VanDerWaalsContact ND2-C 3.31Å; N97-G116 PolarHBondContact ND2-O 3.22Å; N97-D117 HydrophobicContact CB-CB 4.07Å
98	A	96.8	Very high	94.9	Very high	5 Å²	5	43 Å²	43	4%	0.041	22%	0.223	C	C	.	.			trans	-40.6	129.3	-177.3	0	0	0	0	0	114.4	F54 E71 F100 S115 G116	F54-A98 HydrophobicContact CD2-CB 4.37Å; F54-A98 HydrophobicContact CE2-CB 3.85Å; E71-A98 HydrophobicContact CG-CB 4.24Å; E71-A98 WeakPolarHBondContact O-CA 3.14Å; E71-A98 WeakPolarHBondContact O-CB 3.24Å; E71-A98 PolarHBondContact O-N 3.08Å; E71-A98 VanDerWaalsContact O-N 3.11Å; A98-F100 HydrophobicContact CB-CE1 4.21Å; A98-F100 HydrophobicContact CB-CE2 4.08Å; A98-F100 HydrophobicContact CB-CZ 3.83Å; A98-S115 CarbonylContact O-C 3.54Å; A98-S115 WeakPolarHBondContact O-CA 3.38Å; A98-S115 PolarHBondContact O-OG 3.42Å; A98-S115 VanDerWaalsContact O-OG 3.06Å; A98-G116 PolarHBondContact O-N 3.43Å
99	V	98.4	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.2	171.7	-171.4	0	0	0	0	108	A69 Q70 V75 H95 N97 D101 T113 A114	A69-V99 HydrophobicContact CB-CB 3.89Å; A69-V99 HydrophobicContact CB-CG1 3.66Å; Q70-V99 PolarHBondContact O-N 3.01Å; V75-V99 HydrophobicContact CG2-CG1 4.19Å; V75-V99 HydrophobicContact CG2-CG2 4.3Å; H95-V99 HydrophobicContact CB-CG2 4.27Å; N97-V99 PolarHBondContact O-N 3.27Å; V99-D101 WeakPolarHBondContact CG1-O 3.43Å; V99-T113 HydrophobicContact CG1-CG2 4.23Å; V99-A114 CarbonylContact C-O 3.56Å; V99-A114 WeakPolarHBondContact CA-O 3.47Å
100	F	98.3	Very high	94.9	Very high	21 Å²	21	41 Å²	41	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-23.3	-175.8	-68.8	-67	0	0	0	113.6	F54 A98 A114 V141 Y323 K325	F54-F100 AromaticContact CD2-CD1 3.9Å; F54-F100 HydrophobicContact CD2-CD1 3.9Å; F54-F100 HydrophobicContact CD2-CE1 4.1Å; F54-F100 HydrophobicContact CE2-CD1 4.25Å; F54-F100 AromaticContact CE2-CE1 3.97Å; F54-F100 HydrophobicContact CE2-CE1 3.97Å; F54-F100 HydrophobicContact CG-CD1 4.17Å; F54-F100 HydrophobicContact CZ-CE1 4.39Å; A98-F100 HydrophobicContact CB-CE1 4.21Å; A98-F100 HydrophobicContact CB-CE2 4.08Å; A98-F100 HydrophobicContact CB-CZ 3.83Å; F100-A114 PolarHBondContact N-O 3.26Å; F100-V141 WeakPolarHBondContact CB-O 3.46Å; F100-V141 VanDerWaalsContact CD2-O 3.26Å; F100-V141 WeakPolarHBondContact CD2-O 3.31Å; F100-Y323 HydrophobicContact CD1-CE1 4.14Å; F100-Y323 AromaticContact CE1-CE1 3.95Å; F100-Y323 HydrophobicContact CE1-CE1 3.95Å; F100-K325 PolarHBondContact O-NZ 3.06Å
101	D	98.4	Very high	95	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.5	177	-148	7.2	0	0	0	112.2	A55 V99 A114 S143 L144 K325	A55-D101 WeakPolarHBondContact CB-OD1 3.41Å; V99-D101 WeakPolarHBondContact CG1-O 3.43Å; D101-A114 HydrophobicContact CB-CB 4.13Å; D101-A114 PolarHBondContact N-O 3.26Å; D101-A114 PolarHBondContact O-N 3.22Å; D101-S143 VanDerWaalsContact OD2-CA 3.29Å; D101-S143 WeakPolarHBondContact OD2-CA 3.28Å; D101-L144 HydrophobicContact CB-CG 4.43Å; D101-L144 PolarHBondContact OD2-N 2.91Å; D101-K325 IonicContact OD1-NZ 3.56Å
102	V	98.4	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.8	176.8	61.9	0	0	0	0	109.3	A55 D57 L67 A69 V75 F111 L112 T113	A55-V102 HydrophobicContact CB-CG1 4.22Å; D57-V102 HydrophobicContact CB-CG1 4.45Å; D57-V102 WeakPolarHBondContact CB-O 3.45Å; L67-V102 HydrophobicContact CB-CG1 4.14Å; L67-V102 HydrophobicContact CB-CG2 3.83Å; L67-V102 HydrophobicContact CD1-CG2 3.66Å; L67-V102 HydrophobicContact CG-CG2 4.35Å; A69-V102 HydrophobicContact CB-CB 4.03Å; A69-V102 HydrophobicContact CB-CG1 3.84Å; V75-V102 HydrophobicContact CG1-CG2 4.17Å; V102-F111 HydrophobicContact CG2-CD2 3.94Å; V102-L112 CarbonylContact C-O 3.58Å; V102-L112 VanDerWaalsContact CA-O 3.29Å; V102-L112 WeakPolarHBondContact CA-O 3.26Å; V102-L112 WeakPolarHBondContact CG2-O 3.47Å; V102-T113 HydrophobicContact CG2-CG2 4.18Å
103	K	98	Very high	95.3	Very high	53 Å²	53	33.6 Å²	33.6	23%	0.23	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.8	-179.5	-72.2	-66.1	178	-178	0	112.5	D57 F111 L112 L144 F146	D57-K103 IonicContact OD1-NZ 3Å; D57-K103 PolarHBondContact OD1-NZ 3.27Å; D57-K103 WeakPolarHBondContact OD2-CA 3.42Å; K103-F111 CarbonylContact O-C 3.49Å; K103-F111 VanDerWaalsContact O-CA 3.31Å; K103-F111 WeakPolarHBondContact O-CA 3.45Å; K103-F111 WeakPolarHBondContact O-CB 3.19Å; K103-L112 PolarHBondContact N-O 3Å; K103-L112 PolarHBondContact O-N 3.38Å; K103-L144 HydrophobicContact CG-CB 4Å; K103-F146 HydrophobicContact CB-CD2 4.18Å; K103-F146 HydrophobicContact CB-CE2 3.63Å
104	W	97.2	Very high	95.5	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142.6	170	-77.6	101.6	0	0	0	111.1	F6 D57 F58 P60 L67 L77 G108 F111 A125 F146	F6-W104 HydrophobicContact CE1-CH2 4.05Å; F6-W104 HydrophobicContact CZ-CH2 4.26Å; D57-W104 VanDerWaalsContact O-CD1 3.31Å; D57-W104 PolarHBondContact O-NE1 3.37Å; D57-W104 PolarHBondContact OD2-N 3.31Å; F58-W104 VanDerWaalsContact C-CD1 3.41Å; F58-W104 VanDerWaalsContact O-CD1 3.27Å; P60-W104 HydrophobicContact CG-CB 4.31Å; L67-W104 HydrophobicContact CD1-CD2 3.7Å; L67-W104 HydrophobicContact CD1-CE3 4.38Å; L67-W104 HydrophobicContact CD1-CG 4.01Å; L67-W104 HydrophobicContact CD1-CH2 4.35Å; L67-W104 HydrophobicContact CD1-CZ2 3.67Å; L67-W104 VanDerWaalsContact CD1-NE1 3.35Å; L67-W104 HydrophobicContact CD2-CZ2 3.89Å; L67-W104 HydrophobicContact CG-CD2 4.37Å; L67-W104 VanDerWaalsContact CG-CE2 3.46Å; L67-W104 HydrophobicContact CG-CH2 4.47Å; L67-W104 HydrophobicContact CG-CZ2 3.53Å; L77-W104 HydrophobicContact CD1-CH2 4.32Å; L77-W104 HydrophobicContact CD1-CZ2 3.79Å; W104-G108 WeakPolarHBondContact CZ3-O 3.24Å; W104-F111 HydrophobicContact CD2-CB 4.35Å; W104-F111 HydrophobicContact CE3-CB 4.17Å; W104-F111 HydrophobicContact CZ3-CD1 4.29Å; W104-A125 HydrophobicContact CH2-CB 3.67Å; W104-A125 HydrophobicContact CZ3-CB 3.49Å; W104-A125 VanDerWaalsContact CZ3-CB 3.49Å; W104-F146 WeakPolarHBondContact O-CE2 3.14Å
105	L	95	Very high	95.6	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.052	16%	0.156	C	C	.	.			trans	-73.2	152.9	161.2	-74.7	160.8	0	0	0	109.6	P60 S107 G108 S110 L122 F146 C151	P60-L105 VanDerWaalsContact CG-O 3.32Å; P60-L105 WeakPolarHBondContact CG-O 3.17Å; L105-S107 PolarHBondContact O-N 2.92Å; L105-G108 PolarHBondContact O-N 2.98Å; L105-S110 WeakPolarHBondContact CB-O 3.44Å; L105-S110 PolarHBondContact N-O 2.93Å; L105-L122 HydrophobicContact CD1-CD1 3.36Å; L105-L122 HydrophobicContact CG-CD1 4.43Å; L105-F146 HydrophobicContact CD2-CE1 3.53Å; L105-F146 HydrophobicContact CD2-CE2 4.5Å; L105-F146 HydrophobicContact CD2-CZ 3.47Å; L105-F146 VanDerWaalsContact CD2-CZ 3.47Å; L105-F146 HydrophobicContact CG-CZ 4.02Å; L105-C151 WeakPolarHBondContact CD2-O 3.22Å
106	S	90.4	Very high	95.6	Very high	71 Å²	71	26.6 Å²	26.6	50%	0.497	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.9	179.7	67.5	0	0	0	0	113.9	G108 C151	S106-G108 VanDerWaalsContact C-N 3.27Å; S106-C151 WeakPolarHBondContact OG-CB 3.23Å; S106-C151 PolarHBondContact OG-SG 2.94Å
107	S	85.5	Confident	95.7	Very high	66 Å²	66	20.7 Å²	20.7	46%	0.462	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.3	174.2	60.9	0	0	0	0	113.5	L105 S109	L105-S107 PolarHBondContact O-N 2.92Å; S107-S109 PolarHBondContact O-N 2.78Å; S107-S109 VanDerWaalsContact O-N 3.16Å
108	G	86.9	Confident	95.7	Very high	4 Å²	4	20.9 Å²	20.9	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	68.8	2.3	-175.9	0	0	0	0	0	115.4	W104 L105 S106	W104-G108 WeakPolarHBondContact CZ3-O 3.24Å; L105-G108 PolarHBondContact O-N 2.98Å; S106-G108 VanDerWaalsContact C-N 3.27Å
109	S	91.8	Very high	95.6	Very high	70 Å²	70	20.7 Å²	20.7	49%	0.49	12%	0.124	S	C	.	.	S	Bend	trans	-92	-17	179.3	-46.5	0	0	0	0	113.4	S107 A125	S107-S109 PolarHBondContact O-N 2.78Å; S107-S109 VanDerWaalsContact O-N 3.16Å; S109-A125 VanDerWaalsContact O-CB 3.29Å; S109-A125 WeakPolarHBondContact O-CB 3.41Å; S109-A125 PolarHBondContact O-N 3.21Å
110	S	95.8	Very high	95.6	Very high	14 Å²	14	20.8 Å²	20.8	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.9	-174.5	-56.9	0	0	0	0	110.3	L105 I123 I131	L105-S110 WeakPolarHBondContact CB-O 3.44Å; L105-S110 PolarHBondContact N-O 2.93Å; S110-I123 CarbonylContact C-O 3.55Å; S110-I123 WeakPolarHBondContact CA-O 3.44Å; S110-I123 VanDerWaalsContact CB-O 3.24Å; S110-I123 WeakPolarHBondContact CB-O 3.42Å; S110-I131 WeakPolarHBondContact OG-CD1 3.27Å
111	F	97.8	Very high	95.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.4	-178.3	61.7	-91.6	0	0	0	112	L67 V75 Y92 V102 K103 W104 T113 L122 I123 A125	L67-F111 HydrophobicContact CD1-CB 3.49Å; L67-F111 VanDerWaalsContact CD1-CB 3.49Å; L67-F111 HydrophobicContact CD1-CD1 3.73Å; L67-F111 HydrophobicContact CD1-CD2 3.76Å; L67-F111 HydrophobicContact CD1-CE1 4.38Å; L67-F111 HydrophobicContact CD1-CE2 4.4Å; L67-F111 HydrophobicContact CD1-CG 3.38Å; L67-F111 HydrophobicContact CD2-CD1 4.31Å; L67-F111 HydrophobicContact CD2-CE1 4.2Å; L67-F111 HydrophobicContact CD2-CZ 4.39Å; V75-F111 HydrophobicContact CG1-CE2 4.19Å; Y92-F111 HydrophobicContact CD1-CE1 4.4Å; Y92-F111 HydrophobicContact CD1-CZ 4.09Å; Y92-F111 HydrophobicContact CD2-CE1 4.05Å; Y92-F111 HydrophobicContact CD2-CE2 4.46Å; Y92-F111 AromaticContact CD2-CZ 3.5Å; Y92-F111 HydrophobicContact CD2-CZ 3.5Å; Y92-F111 HydrophobicContact CE1-CE1 4.11Å; Y92-F111 HydrophobicContact CE1-CZ 4.25Å; Y92-F111 AromaticContact CE2-CE1 3.74Å; Y92-F111 HydrophobicContact CE2-CE1 3.74Å; Y92-F111 AromaticContact CE2-CZ 3.69Å; Y92-F111 HydrophobicContact CE2-CZ 3.69Å; Y92-F111 HydrophobicContact CG-CE1 4.38Å; Y92-F111 AromaticContact CG-CZ 3.72Å; Y92-F111 HydrophobicContact CG-CZ 3.72Å; Y92-F111 AromaticContact CZ-CE1 3.78Å; V102-F111 HydrophobicContact CG2-CD2 3.94Å; K103-F111 CarbonylContact O-C 3.49Å; K103-F111 VanDerWaalsContact O-CA 3.31Å; K103-F111 WeakPolarHBondContact O-CA 3.45Å; K103-F111 WeakPolarHBondContact O-CB 3.19Å; W104-F111 HydrophobicContact CD2-CB 4.35Å; W104-F111 HydrophobicContact CE3-CB 4.17Å; W104-F111 HydrophobicContact CZ3-CD1 4.29Å; F111-T113 HydrophobicContact CD2-CG2 3.8Å; F111-T113 HydrophobicContact CE2-CG2 3.62Å; F111-L122 WeakPolarHBondContact O-CA 3.45Å; F111-I123 HydrophobicContact CD2-CB 4.4Å; F111-I123 HydrophobicContact CE1-CB 4.14Å; F111-I123 HydrophobicContact CE1-CG2 3.99Å; F111-I123 HydrophobicContact CE2-CB 3.91Å; F111-I123 HydrophobicContact CE2-CD1 3.9Å; F111-I123 HydrophobicContact CE2-CG1 4.37Å; F111-I123 HydrophobicContact CE2-CG2 4.3Å; F111-I123 HydrophobicContact CZ-CB 3.75Å; F111-I123 HydrophobicContact CZ-CD1 4.19Å; F111-I123 HydrophobicContact CZ-CG2 3.66Å; F111-I123 PolarHBondContact N-O 3.29Å; F111-I123 PolarHBondContact O-N 2.96Å; F111-A125 HydrophobicContact CD1-CB 3.99Å; F111-A125 HydrophobicContact CE1-CB 4.12Å
112	L	98.4	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.3	174.8	-68.4	176	0	0	0	111.1	V102 K103 I120 R121 L122 F134 L144 F146 F154	V102-L112 CarbonylContact C-O 3.58Å; V102-L112 VanDerWaalsContact CA-O 3.29Å; V102-L112 WeakPolarHBondContact CA-O 3.26Å; V102-L112 WeakPolarHBondContact CG2-O 3.47Å; K103-L112 PolarHBondContact N-O 3Å; K103-L112 PolarHBondContact O-N 3.38Å; L112-I120 HydrophobicContact CB-CG2 4.44Å; L112-I120 HydrophobicContact CD2-CG2 4.1Å; L112-R121 CarbonylContact C-O 3.55Å; L112-R121 VanDerWaalsContact CA-O 3.29Å; L112-R121 WeakPolarHBondContact CA-O 3.47Å; L112-L122 HydrophobicContact CD2-CB 3.83Å; L112-L122 HydrophobicContact CD2-CD1 4.02Å; L112-F134 HydrophobicContact CD2-CE2 3.83Å; L112-F134 HydrophobicContact CD2-CZ 4.4Å; L112-L144 HydrophobicContact CB-CD1 3.79Å; L112-F146 HydrophobicContact CD1-CE1 3.65Å; L112-F146 HydrophobicContact CD1-CE2 4.26Å; L112-F146 HydrophobicContact CD1-CZ 3.35Å; L112-F146 HydrophobicContact CG-CZ 3.97Å; L112-F154 HydrophobicContact CD1-CD1 3.63Å; L112-F154 HydrophobicContact CD1-CD2 3.86Å; L112-F154 HydrophobicContact CD1-CE1 3.62Å; L112-F154 HydrophobicContact CD1-CE2 3.85Å; L112-F154 HydrophobicContact CD1-CG 3.75Å; L112-F154 HydrophobicContact CD1-CZ 3.73Å; L112-F154 HydrophobicContact CD2-CE1 4.3Å; L112-F154 HydrophobicContact CD2-CZ 4.19Å
113	T	98.6	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.8	175.2	46.9	0	0	0	0	109.8	V75 A94 H95 V99 V102 F111 I120 R121 I123	V75-T113 HydrophobicContact CG2-CG2 3.68Å; A94-T113 HydrophobicContact CB-CG2 4.11Å; H95-T113 PolarHBondContact NE2-OG1 2.79Å; V99-T113 HydrophobicContact CG1-CG2 4.23Å; V102-T113 HydrophobicContact CG2-CG2 4.18Å; F111-T113 HydrophobicContact CD2-CG2 3.8Å; F111-T113 HydrophobicContact CE2-CG2 3.62Å; T113-I120 CarbonylContact O-C 3.47Å; T113-I120 WeakPolarHBondContact O-CA 3.31Å; T113-I120 VanDerWaalsContact O-CG2 3.3Å; T113-I120 WeakPolarHBondContact O-CG2 3.46Å; T113-R121 PolarHBondContact N-O 2.84Å; T113-R121 PolarHBondContact O-N 2.95Å; T113-R121 PolarHBondContact OG1-O 3.06Å; T113-I123 HydrophobicContact CG2-CD1 4.17Å
114	A	98.4	Very high	95.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	179.4	0	0	0	0	0	110.6	V99 F100 D101 I120 V141 L144	V99-A114 CarbonylContact C-O 3.56Å; V99-A114 WeakPolarHBondContact CA-O 3.47Å; F100-A114 PolarHBondContact N-O 3.26Å; D101-A114 HydrophobicContact CB-CB 4.13Å; D101-A114 PolarHBondContact N-O 3.26Å; D101-A114 PolarHBondContact O-N 3.22Å; A114-I120 HydrophobicContact CB-CG1 4.34Å; A114-V141 HydrophobicContact CB-CB 3.93Å; A114-V141 HydrophobicContact CB-CG1 3.62Å; A114-L144 HydrophobicContact CB-CD1 3.77Å; A114-L144 HydrophobicContact CB-CD2 4.15Å; A114-L144 HydrophobicContact CB-CG 3.75Å
115	S	98.3	Very high	95.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.1	-168.4	177.5	0	0	0	0	115.4	H95 N97 A98 D117 Q118 S119 V141	H95-S115 WeakPolarHBondContact CB-OG 3.35Å; H95-S115 VanDerWaalsContact CE1-CB 3.43Å; H95-S115 WeakPolarHBondContact CE1-CB 3.46Å; H95-S115 WeakPolarHBondContact ND1-CB 3.32Å; N97-S115 PolarHBondContact O-OG 2.9Å; A98-S115 CarbonylContact O-C 3.54Å; A98-S115 WeakPolarHBondContact O-CA 3.38Å; A98-S115 PolarHBondContact O-OG 3.42Å; A98-S115 VanDerWaalsContact O-OG 3.06Å; S115-D117 WeakPolarHBondContact CB-OD1 3.44Å; S115-D117 PolarHBondContact O-N 3.37Å; S115-D117 PolarHBondContact OG-N 3.34Å; S115-Q118 PolarHBondContact O-N 2.8Å; S115-S119 PolarHBondContact N-O 3.18Å; S115-S119 VanDerWaalsContact N-O 3.17Å; S115-V141 PolarHBondContact O-N 3.39Å
116	G	97.2	Very high	95.3	Very high	7 Å²	7	24.5 Å²	24.5	7%	0.072	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.8	162.8	0	0	0	0	0	114.3	N97 A98 Q118	N97-G116 VanDerWaalsContact ND2-C 3.31Å; N97-G116 PolarHBondContact ND2-O 3.22Å; A98-G116 PolarHBondContact O-N 3.43Å; G116-Q118 PolarHBondContact O-N 3.22Å
117	D	95.4	Very high	95.5	Very high	21 Å²	21	25 Å²	25	11%	0.112	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	4	172.9	84.6	-5.8	0	0	0	114.2	H95 N97 S115 S119 R121	H95-D117 IonicContact CE1-OD1 3.34Å; H95-D117 IonicContact CE1-OD2 2.68Å; H95-D117 IonicContact CG-OD2 3.67Å; H95-D117 IonicContact ND1-OD1 3.57Å; H95-D117 PolarHBondContact ND1-OD1 3.18Å; H95-D117 VanDerWaalsContact ND1-OD1 3.17Å; H95-D117 IonicContact ND1-OD2 3.47Å; H95-D117 PolarHBondContact ND1-OD2 3.35Å; N97-D117 HydrophobicContact CB-CB 4.07Å; S115-D117 WeakPolarHBondContact CB-OD1 3.44Å; S115-D117 PolarHBondContact O-N 3.37Å; S115-D117 PolarHBondContact OG-N 3.34Å; D117-S119 VanDerWaalsContact CG-OG 3.22Å; D117-S119 PolarHBondContact O-N 3.49Å; D117-S119 WeakPolarHBondContact OD1-CA 3.38Å; D117-S119 WeakPolarHBondContact OD1-CB 3.45Å; D117-S119 PolarHBondContact OD1-N 2.76Å; D117-S119 PolarHBondContact OD1-OG 2.86Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; D117-R121 IonicContact OD2-CZ 3.06Å; D117-R121 IonicContact OD2-NE 3.65Å; D117-R121 IonicContact OD2-NH2 3.75Å; D117-R121 PolarHBondContact OD2-NH2 2.68Å
118	Q	95.1	Very high	96	Very high	81 Å²	81	23.1 Å²	23.1	38%	0.379	14%	0.135	S	C	.	.	S	Bend	trans	73	8.8	177.5	-44.8	168.3	13.9	0	0	114.1	S115 G116	S115-Q118 PolarHBondContact O-N 2.8Å; G116-Q118 PolarHBondContact O-N 3.22Å
119	S	95.4	Very high	96.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	159	177.3	74.3	0	0	0	0	112.2	H95 S115 D117 Q133	H95-S119 PolarHBondContact CE1-OG 2.85Å; S115-S119 PolarHBondContact N-O 3.18Å; S115-S119 VanDerWaalsContact N-O 3.17Å; D117-S119 VanDerWaalsContact CG-OG 3.22Å; D117-S119 PolarHBondContact O-N 3.49Å; D117-S119 WeakPolarHBondContact OD1-CA 3.38Å; D117-S119 WeakPolarHBondContact OD1-CB 3.45Å; D117-S119 PolarHBondContact OD1-N 2.76Å; D117-S119 PolarHBondContact OD1-OG 2.86Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; S119-Q133 VanDerWaalsContact CB-NE2 3.31Å; S119-Q133 PolarHBondContact OG-NE2 3.48Å
120	I	98.1	Very high	96.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.5	166.3	-59.7	151.4	0	0	0	106.3	L112 T113 A114 Q133 F134 V141 L144 F154 S156 W166	L112-I120 HydrophobicContact CB-CG2 4.44Å; L112-I120 HydrophobicContact CD2-CG2 4.1Å; T113-I120 CarbonylContact O-C 3.47Å; T113-I120 WeakPolarHBondContact O-CA 3.31Å; T113-I120 VanDerWaalsContact O-CG2 3.3Å; T113-I120 WeakPolarHBondContact O-CG2 3.46Å; A114-I120 HydrophobicContact CB-CG1 4.34Å; I120-Q133 CarbonylContact O-C 3.48Å; I120-Q133 WeakPolarHBondContact O-CA 3.36Å; I120-F134 HydrophobicContact CB-CB 4.12Å; I120-F134 HydrophobicContact CB-CD2 4.11Å; I120-F134 HydrophobicContact CB-CG 4.46Å; I120-F134 HydrophobicContact CG2-CD2 3.96Å; I120-F134 PolarHBondContact N-O 3.34Å; I120-F134 VanDerWaalsContact N-O 3.16Å; I120-F134 WeakPolarHBondContact O-CD2 3.12Å; I120-F134 PolarHBondContact O-N 3.07Å; I120-V141 HydrophobicContact CD1-CG1 3.93Å; I120-V141 HydrophobicContact CG1-CB 4.41Å; I120-V141 HydrophobicContact CG1-CG1 3.87Å; I120-V141 HydrophobicContact CG1-CG2 4.21Å; I120-L144 HydrophobicContact CD1-CD2 3.92Å; I120-L144 HydrophobicContact CG1-CD2 4.13Å; I120-L144 HydrophobicContact CG2-CD1 4.44Å; I120-L144 HydrophobicContact CG2-CD2 4.13Å; I120-F154 HydrophobicContact CD1-CE2 4.13Å; I120-F154 HydrophobicContact CG2-CE2 4.07Å; I120-F154 HydrophobicContact CG2-CZ 4.19Å; I120-S156 VanDerWaalsContact CD1-CB 3.45Å; I120-S156 WeakPolarHBondContact CD1-OG 3.5Å; I120-W166 HydrophobicContact CD1-CZ2 4.2Å
121	R	97.3	Very high	96.5	Very high	27 Å²	27	30.6 Å²	30.6	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.8	177.6	-70	170.8	-166.4	-164.4	8	110.6	A94 H95 L112 T113 D117 I123 I130 Q132 Q133	A94-R121 WeakPolarHBondContact O-CD 3.32Å; A94-R121 PolarHBondContact O-NE 2.82Å; A94-R121 PolarHBondContact O-NH1 3.12Å; H95-R121 VanDerWaalsContact CE1-CD 3.44Å; H95-R121 WeakPolarHBondContact CE1-CD 3.18Å; H95-R121 PolarHBondContact CE1-NE 3.01Å; H95-R121 PolarHBondContact ND1-NE 3.15Å; L112-R121 CarbonylContact C-O 3.55Å; L112-R121 VanDerWaalsContact CA-O 3.29Å; L112-R121 WeakPolarHBondContact CA-O 3.47Å; T113-R121 PolarHBondContact N-O 2.84Å; T113-R121 PolarHBondContact O-N 2.95Å; T113-R121 PolarHBondContact OG1-O 3.06Å; D117-R121 IonicContact OD2-CZ 3.06Å; D117-R121 IonicContact OD2-NE 3.65Å; D117-R121 IonicContact OD2-NH2 3.75Å; D117-R121 PolarHBondContact OD2-NH2 2.68Å; R121-I123 HydrophobicContact CB-CD1 4.37Å; R121-I123 HydrophobicContact CB-CG1 4.17Å; R121-I130 HydrophobicContact CB-CG2 4.19Å; R121-I130 HydrophobicContact CG-CG2 4.13Å; R121-I130 VanDerWaalsContact NH1-CD1 3.35Å; R121-Q132 WeakPolarHBondContact CA-O 3.35Å; R121-Q133 HydrophobicContact CG-CB 4.43Å; R121-Q133 HydrophobicContact CG-CG 3.82Å
122	L	97.3	Very high	96.3	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.2	166.3	175	61.7	0	0	0	108.1	L105 F111 L112 I130 I131 Q132 F134	L105-L122 HydrophobicContact CD1-CD1 3.36Å; L105-L122 HydrophobicContact CG-CD1 4.43Å; F111-L122 WeakPolarHBondContact O-CA 3.45Å; L112-L122 HydrophobicContact CD2-CB 3.83Å; L112-L122 HydrophobicContact CD2-CD1 4.02Å; L122-I130 CarbonylContact O-C 3.49Å; L122-I131 HydrophobicContact CD2-CB 4.21Å; L122-I131 HydrophobicContact CD2-CD1 4.43Å; L122-I131 HydrophobicContact CD2-CG2 4.1Å; L122-I131 HydrophobicContact CG-CB 4.09Å; L122-I131 HydrophobicContact CG-CD1 4.13Å; L122-I131 PolarHBondContact O-N 3.46Å; L122-Q132 HydrophobicContact CB-CB 4.02Å; L122-Q132 HydrophobicContact CD2-CB 4.31Å; L122-Q132 PolarHBondContact N-O 3.47Å; L122-Q132 PolarHBondContact O-N 2.87Å; L122-F134 HydrophobicContact CB-CE2 3.98Å
123	I	97.9	Very high	96.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.4	-172.9	-58.6	175.3	0	0	0	108.8	Y92 A94 S110 F111 T113 R121 V129 I130	Y92-I123 HydrophobicContact CD1-CG2 4.31Å; A94-I123 HydrophobicContact CB-CD1 3.57Å; S110-I123 CarbonylContact C-O 3.55Å; S110-I123 WeakPolarHBondContact CA-O 3.44Å; S110-I123 VanDerWaalsContact CB-O 3.24Å; S110-I123 WeakPolarHBondContact CB-O 3.42Å; F111-I123 HydrophobicContact CD2-CB 4.4Å; F111-I123 HydrophobicContact CE1-CB 4.14Å; F111-I123 HydrophobicContact CE1-CG2 3.99Å; F111-I123 HydrophobicContact CE2-CB 3.91Å; F111-I123 HydrophobicContact CE2-CD1 3.9Å; F111-I123 HydrophobicContact CE2-CG1 4.37Å; F111-I123 HydrophobicContact CE2-CG2 4.3Å; F111-I123 HydrophobicContact CZ-CB 3.75Å; F111-I123 HydrophobicContact CZ-CD1 4.19Å; F111-I123 HydrophobicContact CZ-CG2 3.66Å; F111-I123 PolarHBondContact N-O 3.29Å; F111-I123 PolarHBondContact O-N 2.96Å; T113-I123 HydrophobicContact CG2-CD1 4.17Å; R121-I123 HydrophobicContact CB-CD1 4.37Å; R121-I123 HydrophobicContact CB-CG1 4.17Å; I123-V129 WeakPolarHBondContact CA-O 3.34Å; I123-I130 HydrophobicContact CG1-CG1 4.19Å
124	D	96.1	Very high	96	Very high	33 Å²	33	32.8 Å²	32.8	18%	0.176	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.2	169.5	-178.9	59.7	0	0	0	110	E126 T127 G128 V129 I131	D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 3.3Å; D124-E126 PolarHBondContact OD2-N 3.42Å; D124-T127 WeakPolarHBondContact CB-OG1 3.47Å; D124-T127 VanDerWaalsContact OD2-CB 3.27Å; D124-T127 WeakPolarHBondContact OD2-CB 3.43Å; D124-T127 VanDerWaalsContact OD2-CG2 3.3Å; D124-T127 WeakPolarHBondContact OD2-CG2 3.29Å; D124-T127 PolarHBondContact OD2-N 3.22Å; D124-T127 PolarHBondContact OD2-OG1 2.96Å; D124-G128 WeakPolarHBondContact O-CA 3.25Å; D124-G128 PolarHBondContact O-N 3.04Å; D124-V129 PolarHBondContact N-O 2.83Å; D124-I131 HydrophobicContact CB-CD1 3.82Å; D124-I131 HydrophobicContact CB-CG1 4.02Å
125	A	96	Very high	95.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-29.9	-171.6	0	0	0	0	0	112.8	F6 Y92 W104 S109 F111	F6-A125 HydrophobicContact CE1-CB 4.27Å; F6-A125 HydrophobicContact CE2-CB 4.29Å; F6-A125 WeakPolarHBondContact CE2-O 3.43Å; F6-A125 HydrophobicContact CZ-CB 3.64Å; Y92-A125 WeakPolarHBondContact CE1-O 3.47Å; Y92-A125 PolarHBondContact OH-O 2.94Å; W104-A125 HydrophobicContact CH2-CB 3.67Å; W104-A125 HydrophobicContact CZ3-CB 3.49Å; W104-A125 VanDerWaalsContact CZ3-CB 3.49Å; S109-A125 VanDerWaalsContact O-CB 3.29Å; S109-A125 WeakPolarHBondContact O-CB 3.41Å; S109-A125 PolarHBondContact O-N 3.21Å; F111-A125 HydrophobicContact CD1-CB 3.99Å; F111-A125 HydrophobicContact CE1-CB 4.12Å
126	E	93.8	Very high	95.2	Very high	104 Å²	104	35.8 Å²	35.8	49%	0.486	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-57.6	-179.1	-172.2	169.4	-174.3	0	0	111.4	S4 F6 K90 D124	S4-E126 WeakPolarHBondContact CB-OE1 3.5Å; F6-E126 HydrophobicContact CD2-CB 4.16Å; F6-E126 HydrophobicContact CD2-CG 4.28Å; F6-E126 HydrophobicContact CE2-CB 4.18Å; K90-E126 PolarHBondContact NZ-O 3.15Å; D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 3.3Å; D124-E126 PolarHBondContact OD2-N 3.42Å
127	T	94.6	Very high	95	Very high	82 Å²	82	35.9 Å²	35.9	50%	0.503	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-31.5	-176.3	64.3	0	0	0	0	112.2	K90 D124 V129	K90-T127 PolarHBondContact NZ-O 3.3Å; K90-T127 VanDerWaalsContact NZ-O 3.1Å; D124-T127 WeakPolarHBondContact CB-OG1 3.47Å; D124-T127 VanDerWaalsContact OD2-CB 3.27Å; D124-T127 WeakPolarHBondContact OD2-CB 3.43Å; D124-T127 VanDerWaalsContact OD2-CG2 3.3Å; D124-T127 WeakPolarHBondContact OD2-CG2 3.29Å; D124-T127 PolarHBondContact OD2-N 3.22Å; D124-T127 PolarHBondContact OD2-OG1 2.96Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 WeakPolarHBondContact OG1-CB 3.41Å; T127-V129 WeakPolarHBondContact OG1-CG2 3.47Å; T127-V129 PolarHBondContact OG1-N 3.45Å
128	G	95.1	Very high	94.9	Very high	27 Å²	27	39.3 Å²	39.3	28%	0.278	22%	0.22	S	C	.	.			trans	79.6	9.3	-169.9	0	0	0	0	0	113.6	D124	D124-G128 WeakPolarHBondContact O-CA 3.25Å; D124-G128 PolarHBondContact O-N 3.04Å
129	V	95.8	Very high	94.8	Very high	88 Å²	88	37.5 Å²	37.5	53%	0.533	21%	0.212	S	C	.	.			trans	-73.2	135.3	178.5	173.7	0	0	0	0	110.1	I123 D124 T127 I131	I123-V129 WeakPolarHBondContact CA-O 3.34Å; D124-V129 PolarHBondContact N-O 2.83Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 WeakPolarHBondContact OG1-CB 3.41Å; T127-V129 WeakPolarHBondContact OG1-CG2 3.47Å; T127-V129 PolarHBondContact OG1-N 3.45Å; V129-I131 PolarHBondContact O-N 3.45Å; V129-I131 VanDerWaalsContact O-N 3.14Å
130	I	95.3	Very high	94.9	Very high	69 Å²	69	38.5 Å²	38.5	35%	0.354	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	103.9	170.4	-60.6	160.5	0	0	0	107.9	R121 L122 I123	R121-I130 HydrophobicContact CB-CG2 4.19Å; R121-I130 HydrophobicContact CG-CG2 4.13Å; R121-I130 VanDerWaalsContact NH1-CD1 3.35Å; L122-I130 CarbonylContact O-C 3.49Å; I123-I130 HydrophobicContact CG1-CG1 4.19Å
131	I	94.1	Very high	94.9	Very high	88 Å²	88	38.4 Å²	38.4	45%	0.451	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-42.6	177.7	-59.7	164.5	0	0	0	109.8	S110 L122 D124 V129	S110-I131 WeakPolarHBondContact OG-CD1 3.27Å; L122-I131 HydrophobicContact CD2-CB 4.21Å; L122-I131 HydrophobicContact CD2-CD1 4.43Å; L122-I131 HydrophobicContact CD2-CG2 4.1Å; L122-I131 HydrophobicContact CG-CB 4.09Å; L122-I131 HydrophobicContact CG-CD1 4.13Å; L122-I131 PolarHBondContact O-N 3.46Å; D124-I131 HydrophobicContact CB-CD1 3.82Å; D124-I131 HydrophobicContact CB-CG1 4.02Å; V129-I131 PolarHBondContact O-N 3.45Å; V129-I131 VanDerWaalsContact O-N 3.14Å
132	Q	94.2	Very high	94.8	Very high	21 Å²	21	39.6 Å²	39.6	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.8	-173.8	-150.2	162.5	29.2	0	0	113.1	R121 L122 F134 T168 V170 I183	R121-Q132 WeakPolarHBondContact CA-O 3.35Å; L122-Q132 HydrophobicContact CB-CB 4.02Å; L122-Q132 HydrophobicContact CD2-CB 4.31Å; L122-Q132 PolarHBondContact N-O 3.47Å; L122-Q132 PolarHBondContact O-N 2.87Å; Q132-F134 HydrophobicContact CB-CE2 4.4Å; Q132-T168 PolarHBondContact OE1-O 2.73Å; Q132-V170 PolarHBondContact NE2-O 3.47Å; Q132-I183 HydrophobicContact CG-CD1 3.64Å; Q132-I183 HydrophobicContact CG-CG1 3.95Å
133	Q	94.5	Very high	94.9	Very high	23 Å²	23	39.6 Å²	39.6	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.6	176.1	-161.5	168.1	0.8	0	0	110.7	S119 I120 R121 F135 G182 I183	S119-Q133 VanDerWaalsContact CB-NE2 3.31Å; S119-Q133 PolarHBondContact OG-NE2 3.48Å; I120-Q133 CarbonylContact O-C 3.48Å; I120-Q133 WeakPolarHBondContact O-CA 3.36Å; R121-Q133 HydrophobicContact CG-CB 4.43Å; R121-Q133 HydrophobicContact CG-CG 3.82Å; Q133-F135 HydrophobicContact CB-CE2 3.71Å; Q133-F135 HydrophobicContact CB-CZ 3.75Å; Q133-F135 HydrophobicContact CG-CD1 4.38Å; Q133-F135 HydrophobicContact CG-CD2 4.39Å; Q133-F135 HydrophobicContact CG-CE1 3.6Å; Q133-F135 HydrophobicContact CG-CE2 3.62Å; Q133-F135 HydrophobicContact CG-CZ 3.18Å; Q133-F135 VanDerWaalsContact NE2-CZ 3.25Å; Q133-F135 VanDerWaalsContact OE1-CZ 3.26Å; Q133-G182 CarbonylContact O-C 3.5Å; Q133-G182 WeakPolarHBondContact O-CA 3.49Å; Q133-I183 PolarHBondContact O-N 3.46Å
134	F	96.1	Very high	94.9	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.2	-178.3	-50.1	-104.6	0	0	0	109.3	L112 I120 L122 Q132 F154 W166 T168 I183	L112-F134 HydrophobicContact CD2-CE2 3.83Å; L112-F134 HydrophobicContact CD2-CZ 4.4Å; I120-F134 HydrophobicContact CB-CB 4.12Å; I120-F134 HydrophobicContact CB-CD2 4.11Å; I120-F134 HydrophobicContact CB-CG 4.46Å; I120-F134 HydrophobicContact CG2-CD2 3.96Å; I120-F134 PolarHBondContact N-O 3.34Å; I120-F134 VanDerWaalsContact N-O 3.16Å; I120-F134 WeakPolarHBondContact O-CD2 3.12Å; I120-F134 PolarHBondContact O-N 3.07Å; L122-F134 HydrophobicContact CB-CE2 3.98Å; Q132-F134 HydrophobicContact CB-CE2 4.4Å; F134-F154 HydrophobicContact CD1-CE1 4.3Å; F134-F154 AromaticContact CD1-CZ 3.87Å; F134-F154 HydrophobicContact CD1-CZ 3.87Å; F134-F154 HydrophobicContact CD2-CZ 4.1Å; F134-F154 AromaticContact CE1-CE1 3.74Å; F134-F154 HydrophobicContact CE1-CE1 3.74Å; F134-F154 AromaticContact CE1-CZ 3.76Å; F134-F154 HydrophobicContact CE1-CZ 3.76Å; F134-F154 HydrophobicContact CE2-CE1 4.38Å; F134-F154 HydrophobicContact CE2-CZ 4.05Å; F134-F154 HydrophobicContact CG-CZ 4.06Å; F134-F154 AromaticContact CZ-CE1 3.86Å; F134-F154 HydrophobicContact CZ-CE1 3.86Å; F134-F154 AromaticContact CZ-CZ 3.91Å; F134-F154 HydrophobicContact CZ-CZ 3.91Å; F134-W166 HydrophobicContact CB-CD2 4.12Å; F134-W166 HydrophobicContact CB-CE3 3.72Å; F134-W166 HydrophobicContact CB-CH2 4.29Å; F134-W166 HydrophobicContact CB-CZ3 3.79Å; F134-W166 HydrophobicContact CD1-CB 3.96Å; F134-W166 HydrophobicContact CD1-CD2 4.12Å; F134-W166 AromaticContact CD1-CE3 3.79Å; F134-W166 HydrophobicContact CD1-CE3 3.79Å; F134-W166 HydrophobicContact CD1-CG 4.21Å; F134-W166 HydrophobicContact CE1-CB 4.17Å; F134-W166 HydrophobicContact CG-CD2 4.48Å; F134-W166 HydrophobicContact CG-CE3 4.22Å; F134-T168 HydrophobicContact CE1-CG2 4.44Å; F134-T168 HydrophobicContact CZ-CG2 3.9Å; F134-I183 HydrophobicContact CD1-CB 3.92Å; F134-I183 HydrophobicContact CD1-CD1 3.49Å; F134-I183 VanDerWaalsContact CD1-CD1 3.49Å; F134-I183 HydrophobicContact CD1-CG1 4.33Å; F134-I183 HydrophobicContact CD1-CG2 4.31Å; F134-I183 HydrophobicContact CE1-CB 4.4Å; F134-I183 HydrophobicContact CE1-CD1 3.11Å; F134-I183 HydrophobicContact CE1-CG1 4.36Å; F134-I183 HydrophobicContact CG-CD1 4.37Å; F134-I183 HydrophobicContact CZ-CD1 3.7Å
135	F	90	Very high	94.9	Very high	37 Å²	37	38.9 Å²	38.9	16%	0.162	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.6	-174.5	-56.8	-79	0	0	0	112.4	Q133 W166 N176 I183	Q133-F135 HydrophobicContact CB-CE2 3.71Å; Q133-F135 HydrophobicContact CB-CZ 3.75Å; Q133-F135 HydrophobicContact CG-CD1 4.38Å; Q133-F135 HydrophobicContact CG-CD2 4.39Å; Q133-F135 HydrophobicContact CG-CE1 3.6Å; Q133-F135 HydrophobicContact CG-CE2 3.62Å; Q133-F135 HydrophobicContact CG-CZ 3.18Å; Q133-F135 VanDerWaalsContact NE2-CZ 3.25Å; Q133-F135 VanDerWaalsContact OE1-CZ 3.26Å; F135-W166 VanDerWaalsContact O-CH2 3.27Å; F135-W166 WeakPolarHBondContact O-CH2 3.42Å; F135-W166 WeakPolarHBondContact O-CZ3 3.47Å; F135-N176 HydrophobicContact CD1-CB 3.79Å; F135-N176 HydrophobicContact CD2-CB 3.87Å; F135-N176 HydrophobicContact CE1-CB 3.59Å; F135-N176 VanDerWaalsContact CE1-ND2 3.26Å; F135-N176 WeakPolarHBondContact CE1-ND2 3.31Å; F135-N176 HydrophobicContact CE2-CB 3.69Å; F135-N176 HydrophobicContact CG-CB 3.89Å; F135-N176 HydrophobicContact CZ-CB 3.51Å; F135-N176 WeakPolarHBondContact CZ-ND2 3.29Å; F135-I183 PolarHBondContact N-O 3.46Å
136	G	89.4	Confident	95	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	23%	0.228	S	C	.	.			trans	149.9	-26.6	171.9	0	0	0	0	0	113.2	R164	G136-R164 VanDerWaalsContact C-NH2 3.33Å; G136-R164 PolarHBondContact O-NE 3.21Å; G136-R164 PolarHBondContact O-NH2 3.44Å
137	H	93.9	Very high	95	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.042	21%	0.208	C	C	.	.			trans	-60	145.1	167.7	-78.6	-58.3	0	0	0	110.6	V141 S156 S158 D160 S162	H137-V141 HydrophobicContact CB-CG2 4.01Å; H137-S156 PolarHBondContact CD2-OG 3.08Å; H137-S156 PolarHBondContact NE2-OG 3.08Å; H137-S158 VanDerWaalsContact CE1-CB 3.44Å; H137-S158 WeakPolarHBondContact CE1-CB 3.13Å; H137-S158 WeakPolarHBondContact ND1-CB 3.34Å; H137-D160 VanDerWaalsContact CA-OD2 3.31Å; H137-D160 WeakPolarHBondContact CA-OD2 3.4Å; H137-D160 IonicContact CG-OD2 3.68Å; H137-D160 IonicContact ND1-OD1 3.77Å; H137-D160 PolarHBondContact ND1-OD1 2.9Å; H137-D160 IonicContact ND1-OD2 3.51Å; H137-D160 PolarHBondContact ND1-OD2 3.21Å; H137-S162 PolarHBondContact CE1-OG 2.88Å; H137-S162 PolarHBondContact ND1-OG 3.13Å
138	T	92.2	Very high	94.9	Very high	93 Å²	93	35.1 Å²	35.1	57%	0.571	20%	0.202	S	C	*	.	S	Bend	trans	-108	-2.8	-176.8	56.6	0	0	0	0	112.8	D160	T138-D160 PolarHBondContact N-OD2 2.67Å; T138-D160 WeakPolarHBondContact OG1-CB 3.38Å; T138-D160 PolarHBondContact OG1-OD2 2.64Å
139	M	94.5	Very high	94.8	Very high	43 Å²	43	37.8 Å²	37.8	21%	0.212	22%	0.216	C	C	.	.	S	Bend	trans	-145.2	176.7	173.4	-56.6	-174.1	79.3	0	0	109.3	V141 S158 R159 D160 A215	M139-V141 PolarHBondContact O-N 3.33Å; M139-S158 VanDerWaalsContact C-OG 3.32Å; M139-S158 PolarHBondContact O-OG 2.85Å; M139-R159 HydrophobicContact CB-CB 3.83Å; M139-R159 HydrophobicContact CB-CG 4.41Å; M139-R159 HydrophobicContact CE-CG 3.86Å; M139-R159 HydrophobicContact SD-CB 4.39Å; M139-R159 HydrophobicContact SD-CG 4.09Å; M139-D160 HydrophobicContact CB-CB 4.07Å; M139-D160 HydrophobicContact CG-CB 3.98Å; M139-D160 HydrophobicContact SD-CB 4.44Å; M139-A215 HydrophobicContact SD-CB 3.61Å
140	S	95.8	Very high	94.6	Very high	21 Å²	21	34.6 Å²	34.6	15%	0.147	20%	0.196	C	C	.	.			trans	-46.3	128.5	-178.2	-49.4	0	0	0	0	113.2	S158 R159	S140-S158 VanDerWaalsContact O-CA 3.27Å; S140-S158 WeakPolarHBondContact O-CA 3.23Å; S140-S158 WeakPolarHBondContact O-CB 3.3Å; S140-S158 PolarHBondContact O-OG 3.11Å; S140-R159 PolarHBondContact O-N 2.77Å
141	V	98.1	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	173.7	-169.8	0	0	0	0	108	F100 A114 S115 I120 H137 M139 T157	F100-V141 WeakPolarHBondContact CB-O 3.46Å; F100-V141 VanDerWaalsContact CD2-O 3.26Å; F100-V141 WeakPolarHBondContact CD2-O 3.31Å; A114-V141 HydrophobicContact CB-CB 3.93Å; A114-V141 HydrophobicContact CB-CG1 3.62Å; S115-V141 PolarHBondContact O-N 3.39Å; I120-V141 HydrophobicContact CD1-CG1 3.93Å; I120-V141 HydrophobicContact CG1-CB 4.41Å; I120-V141 HydrophobicContact CG1-CG1 3.87Å; I120-V141 HydrophobicContact CG1-CG2 4.21Å; H137-V141 HydrophobicContact CB-CG2 4.01Å; M139-V141 PolarHBondContact O-N 3.33Å; V141-T157 CarbonylContact C-O 3.57Å; V141-T157 WeakPolarHBondContact CA-O 3.43Å; V141-T157 VanDerWaalsContact CG1-O 3.27Å; V141-T157 WeakPolarHBondContact CG1-O 3.24Å
142	R	97	Very high	94.4	Very high	52 Å²	52	32 Å²	32	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-39.4	-168	-75.2	-68.7	-166.2	179.9	4.1	114.2	T157	R142-T157 PolarHBondContact N-O 2.8Å
143	S	97.8	Very high	94.4	Very high	11 Å²	11	31.1 Å²	31.1	8%	0.077	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148.5	-173.9	163.3	0	0	0	0	111.4	D101 S156 T157 V224	D101-S143 VanDerWaalsContact OD2-CA 3.29Å; D101-S143 WeakPolarHBondContact OD2-CA 3.28Å; S143-S156 VanDerWaalsContact O-CA 3.28Å; S143-S156 WeakPolarHBondContact O-CA 3.1Å; S143-T157 WeakPolarHBondContact CB-OG1 3.44Å; S143-T157 PolarHBondContact N-OG1 2.9Å; S143-T157 PolarHBondContact O-N 2.98Å; S143-T157 PolarHBondContact O-OG1 3.13Å; S143-V224 PolarHBondContact OG-N 3.28Å
144	L	98.3	Very high	94.5	Very high	6 Å²	6	30 Å²	30	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.8	177.5	-64.7	172.4	0	0	0	110.5	D101 K103 L112 A114 I120 F154 A155	D101-L144 HydrophobicContact CB-CG 4.43Å; D101-L144 PolarHBondContact OD2-N 2.91Å; K103-L144 HydrophobicContact CG-CB 4Å; L112-L144 HydrophobicContact CB-CD1 3.79Å; A114-L144 HydrophobicContact CB-CD1 3.77Å; A114-L144 HydrophobicContact CB-CD2 4.15Å; A114-L144 HydrophobicContact CB-CG 3.75Å; I120-L144 HydrophobicContact CD1-CD2 3.92Å; I120-L144 HydrophobicContact CG1-CD2 4.13Å; I120-L144 HydrophobicContact CG2-CD1 4.44Å; I120-L144 HydrophobicContact CG2-CD2 4.13Å; L144-F154 HydrophobicContact CD2-CD2 3.96Å; L144-F154 HydrophobicContact CD2-CE2 3.94Å; L144-A155 WeakPolarHBondContact CA-O 3.47Å
145	S	97.5	Very high	94.6	Very high	13 Å²	13	30 Å²	30	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.9	172.6	-168.7	0	0	0	0	110.7	F154 A155 V224 L225 F226	S145-F154 CarbonylContact O-C 3.5Å; S145-F154 VanDerWaalsContact O-CA 3.24Å; S145-F154 WeakPolarHBondContact O-CA 3.36Å; S145-F154 WeakPolarHBondContact O-CB 3.32Å; S145-A155 PolarHBondContact N-O 3.23Å; S145-A155 PolarHBondContact O-N 3.37Å; S145-V224 WeakPolarHBondContact CB-O 3.4Å; S145-L225 WeakPolarHBondContact OG-CA 3.41Å; S145-F226 WeakPolarHBondContact O-CD2 3.43Å; S145-F226 VanDerWaalsContact O-CE2 3.27Å; S145-F226 WeakPolarHBondContact O-CE2 3.46Å; S145-F226 PolarHBondContact OG-N 2.59Å
146	F	96.7	Very high	95	Very high	40 Å²	40	28.2 Å²	28.2	18%	0.175	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.4	175.2	-77.2	-70.9	0	0	0	111.7	K103 W104 L105 L112 C151 F154 F226	K103-F146 HydrophobicContact CB-CD2 4.18Å; K103-F146 HydrophobicContact CB-CE2 3.63Å; W104-F146 WeakPolarHBondContact O-CE2 3.14Å; L105-F146 HydrophobicContact CD2-CE1 3.53Å; L105-F146 HydrophobicContact CD2-CE2 4.5Å; L105-F146 HydrophobicContact CD2-CZ 3.47Å; L105-F146 VanDerWaalsContact CD2-CZ 3.47Å; L105-F146 HydrophobicContact CG-CZ 4.02Å; L112-F146 HydrophobicContact CD1-CE1 3.65Å; L112-F146 HydrophobicContact CD1-CE2 4.26Å; L112-F146 HydrophobicContact CD1-CZ 3.35Å; L112-F146 HydrophobicContact CG-CZ 3.97Å; F146-C151 VanDerWaalsContact CD1-O 3.24Å; F146-C151 WeakPolarHBondContact CD1-O 3.49Å; F146-C151 WeakPolarHBondContact CE1-O 3.23Å; F146-F154 HydrophobicContact CD1-CB 3.68Å; F146-F154 HydrophobicContact CE1-CB 3.97Å; F146-F154 HydrophobicContact CE1-CD1 4.22Å; F146-F154 HydrophobicContact CE1-CG 4.34Å; F146-F154 HydrophobicContact CG-CB 4.34Å; F146-F226 VanDerWaalsContact C-CD2 3.45Å; F146-F226 WeakPolarHBondContact O-CD2 3.16Å
147	M	95	Very high	95.3	Very high	10 Å²	10	27 Å²	27	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.5	168.2	-169	167.5	71.9	0	0	109.4	S149 D150 I153 D229	M147-S149 PolarHBondContact O-N 2.95Å; M147-D150 HydrophobicContact CE-CB 3.38Å; M147-D150 CarbonylContact O-C 3.42Å; M147-D150 PolarHBondContact O-N 3.09Å; M147-I153 HydrophobicContact CB-CB 4.1Å; M147-I153 HydrophobicContact CB-CG2 4.14Å; M147-I153 HydrophobicContact CE-CB 4.07Å; M147-I153 HydrophobicContact CE-CD1 3.68Å; M147-I153 HydrophobicContact CE-CG1 4.36Å; M147-I153 HydrophobicContact CE-CG2 4.35Å; M147-I153 PolarHBondContact N-O 2.86Å; M147-I153 HydrophobicContact SD-CG2 4.27Å; M147-D229 HydrophobicContact CG-CB 4.09Å; M147-D229 HydrophobicContact SD-CB 3.88Å
148	P	92.5	Very high	95.4	Very high	58 Å²	58	26.5 Å²	26.5	38%	0.377	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-39.5	-172.8	-27.6	36.5	0	0	0	114.8	F226 D229	P148-F226 HydrophobicContact CG-CB 4.08Å; P148-D229 WeakPolarHBondContact CD-OD1 3.36Å
149	S	91.5	Very high	95.4	Very high	84 Å²	84	25.6 Å²	25.6	59%	0.587	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.9	-179.2	67.3	0	0	0	0	115.7	M147 D229	M147-S149 PolarHBondContact O-N 2.95Å; S149-D229 WeakPolarHBondContact CB-OD1 3.31Å; S149-D229 WeakPolarHBondContact CB-OD2 3.35Å; S149-D229 PolarHBondContact N-OD1 2.92Å; S149-D229 PolarHBondContact OG-OD1 3.45Å; S149-D229 PolarHBondContact OG-OD2 3.39Å
150	D	93	Very high	95.3	Very high	20 Å²	20	24.6 Å²	24.6	11%	0.107	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	108.7	-176	-167.3	-21.4	0	0	0	110.8	M147 H152 I153 R169	M147-D150 HydrophobicContact CE-CB 3.38Å; M147-D150 CarbonylContact O-C 3.42Å; M147-D150 PolarHBondContact O-N 3.09Å; D150-H152 PolarHBondContact O-N 3.25Å; D150-H152 VanDerWaalsContact O-N 3.16Å; D150-H152 WeakPolarHBondContact OD1-CB 3.41Å; D150-H152 IonicContact OD1-CD2 2.79Å; D150-H152 IonicContact OD1-CG 2.71Å; D150-H152 PolarHBondContact OD1-N 3.21Å; D150-I153 PolarHBondContact O-N 3.34Å; D150-R169 IonicContact OD1-CZ 3.55Å; D150-R169 IonicContact OD1-NH1 3.18Å; D150-R169 PolarHBondContact OD1-NH1 3.04Å; D150-R169 IonicContact OD1-NH2 2.92Å; D150-R169 IonicContact OD2-CZ 3.19Å; D150-R169 IonicContact OD2-NH1 2.86Å; D150-R169 PolarHBondContact OD2-NH1 3.19Å; D150-R169 IonicContact OD2-NH2 3.47Å; D150-R169 PolarHBondContact OD2-NH2 3.46Å
151	C	91.3	Very high	95	Very high	35 Å²	35	23.6 Å²	23.6	24%	0.236	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-10.2	-179.1	63	0	0	0	0	114.1	L105 S106 F146	L105-C151 WeakPolarHBondContact CD2-O 3.22Å; S106-C151 WeakPolarHBondContact OG-CB 3.23Å; S106-C151 PolarHBondContact OG-SG 2.94Å; F146-C151 VanDerWaalsContact CD1-O 3.24Å; F146-C151 WeakPolarHBondContact CD1-O 3.49Å; F146-C151 WeakPolarHBondContact CE1-O 3.23Å
152	H	93.2	Very high	94.7	Very high	68 Å²	68	24 Å²	24	32%	0.315	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-16	176.6	-63.2	-62.3	0	0	0	113.1	D150 D167 T168 R169	D150-H152 PolarHBondContact O-N 3.25Å; D150-H152 VanDerWaalsContact O-N 3.16Å; D150-H152 WeakPolarHBondContact OD1-CB 3.41Å; D150-H152 IonicContact OD1-CD2 2.79Å; D150-H152 IonicContact OD1-CG 2.71Å; D150-H152 PolarHBondContact OD1-N 3.21Å; H152-D167 CarbonylContact O-C 3.55Å; H152-D167 VanDerWaalsContact O-CA 3.31Å; H152-D167 WeakPolarHBondContact O-CA 3.21Å; H152-T168 WeakPolarHBondContact CA-OG1 3.03Å; H152-T168 WeakPolarHBondContact CB-OG1 3.48Å; H152-T168 PolarHBondContact ND1-OG1 3.17Å; H152-T168 PolarHBondContact O-N 2.79Å; H152-R169 HydrophobicContact CB-CG 3.99Å
153	I	94.8	Very high	94.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130	-179.1	-63.4	174.9	0	0	0	109.3	M147 D150 M165 W166 D167 I755 Y758	M147-I153 HydrophobicContact CB-CB 4.1Å; M147-I153 HydrophobicContact CB-CG2 4.14Å; M147-I153 HydrophobicContact CE-CB 4.07Å; M147-I153 HydrophobicContact CE-CD1 3.68Å; M147-I153 HydrophobicContact CE-CG1 4.36Å; M147-I153 HydrophobicContact CE-CG2 4.35Å; M147-I153 PolarHBondContact N-O 2.86Å; M147-I153 HydrophobicContact SD-CG2 4.27Å; D150-I153 PolarHBondContact O-N 3.34Å; I153-M165 HydrophobicContact CG2-CE 3.5Å; I153-M165 VanDerWaalsContact CG2-CE 3.5Å; I153-W166 WeakPolarHBondContact CA-O 3.5Å; I153-D167 HydrophobicContact CG1-CB 4.42Å; I153-I755 HydrophobicContact CD1-CG1 4.48Å; I153-Y758 HydrophobicContact CD1-CE2 4.48Å
154	F	96.8	Very high	94.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.5	178.2	67.6	-84.2	0	0	0	112.4	L112 I120 F134 L144 S145 F146 W166 T168	L112-F154 HydrophobicContact CD1-CD1 3.63Å; L112-F154 HydrophobicContact CD1-CD2 3.86Å; L112-F154 HydrophobicContact CD1-CE1 3.62Å; L112-F154 HydrophobicContact CD1-CE2 3.85Å; L112-F154 HydrophobicContact CD1-CG 3.75Å; L112-F154 HydrophobicContact CD1-CZ 3.73Å; L112-F154 HydrophobicContact CD2-CE1 4.3Å; L112-F154 HydrophobicContact CD2-CZ 4.19Å; I120-F154 HydrophobicContact CD1-CE2 4.13Å; I120-F154 HydrophobicContact CG2-CE2 4.07Å; I120-F154 HydrophobicContact CG2-CZ 4.19Å; F134-F154 HydrophobicContact CD1-CE1 4.3Å; F134-F154 AromaticContact CD1-CZ 3.87Å; F134-F154 HydrophobicContact CD1-CZ 3.87Å; F134-F154 HydrophobicContact CD2-CZ 4.1Å; F134-F154 AromaticContact CE1-CE1 3.74Å; F134-F154 HydrophobicContact CE1-CE1 3.74Å; F134-F154 AromaticContact CE1-CZ 3.76Å; F134-F154 HydrophobicContact CE1-CZ 3.76Å; F134-F154 HydrophobicContact CE2-CE1 4.38Å; F134-F154 HydrophobicContact CE2-CZ 4.05Å; F134-F154 HydrophobicContact CG-CZ 4.06Å; F134-F154 AromaticContact CZ-CE1 3.86Å; F134-F154 HydrophobicContact CZ-CE1 3.86Å; F134-F154 AromaticContact CZ-CZ 3.91Å; F134-F154 HydrophobicContact CZ-CZ 3.91Å; L144-F154 HydrophobicContact CD2-CD2 3.96Å; L144-F154 HydrophobicContact CD2-CE2 3.94Å; S145-F154 CarbonylContact O-C 3.5Å; S145-F154 VanDerWaalsContact O-CA 3.24Å; S145-F154 WeakPolarHBondContact O-CA 3.36Å; S145-F154 WeakPolarHBondContact O-CB 3.32Å; F146-F154 HydrophobicContact CD1-CB 3.68Å; F146-F154 HydrophobicContact CE1-CB 3.97Å; F146-F154 HydrophobicContact CE1-CD1 4.22Å; F146-F154 HydrophobicContact CE1-CG 4.34Å; F146-F154 HydrophobicContact CG-CB 4.34Å; F154-W166 HydrophobicContact CD1-CB 3.9Å; F154-W166 HydrophobicContact CD2-CB 4.18Å; F154-W166 AromaticContact CD2-CD1 3.57Å; F154-W166 HydrophobicContact CD2-CG 4.18Å; F154-W166 HydrophobicContact CE1-CB 3.42Å; F154-W166 VanDerWaalsContact CE1-CB 3.42Å; F154-W166 HydrophobicContact CE1-CG 4.18Å; F154-W166 HydrophobicContact CE2-CB 3.73Å; F154-W166 AromaticContact CE2-CD1 3.19Å; F154-W166 AromaticContact CE2-CG 3.58Å; F154-W166 HydrophobicContact CE2-CG 3.58Å; F154-W166 AromaticContact CE2-NE1 3.98Å; F154-W166 HydrophobicContact CG-CB 4.25Å; F154-W166 HydrophobicContact CZ-CB 3.34Å; F154-W166 AromaticContact CZ-CD1 3.72Å; F154-W166 AromaticContact CZ-CG 3.58Å; F154-W166 HydrophobicContact CZ-CG 3.58Å; F154-W166 PolarHBondContact N-O 2.88Å; F154-W166 VanDerWaalsContact N-O 3.16Å; F154-W166 PolarHBondContact O-N 3.08Å; F154-T168 HydrophobicContact CD1-CG2 4.13Å; F154-T168 HydrophobicContact CE1-CG2 3.75Å
155	A	97	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.2	172.8	0	0	0	0	0	110.1	L144 S145 I163 R164 M165 V224 F226	L144-A155 WeakPolarHBondContact CA-O 3.47Å; S145-A155 PolarHBondContact N-O 3.23Å; S145-A155 PolarHBondContact O-N 3.37Å; A155-I163 HydrophobicContact CB-CG2 4.35Å; A155-R164 CarbonylContact C-O 3.58Å; A155-R164 VanDerWaalsContact CA-O 3.26Å; A155-R164 WeakPolarHBondContact CA-O 3.46Å; A155-M165 HydrophobicContact CB-SD 3.64Å; A155-V224 HydrophobicContact CB-CG1 4.43Å; A155-V224 HydrophobicContact CB-CG2 3.94Å; A155-F226 HydrophobicContact CB-CE2 3.51Å; A155-F226 HydrophobicContact CB-CZ 3.86Å
156	S	97.8	Very high	94.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.8	169.8	68.9	0	0	0	0	112	I120 H137 S143 I163 R164 W166	I120-S156 VanDerWaalsContact CD1-CB 3.45Å; I120-S156 WeakPolarHBondContact CD1-OG 3.5Å; H137-S156 PolarHBondContact CD2-OG 3.08Å; H137-S156 PolarHBondContact NE2-OG 3.08Å; S143-S156 VanDerWaalsContact O-CA 3.28Å; S143-S156 WeakPolarHBondContact O-CA 3.1Å; S156-I163 CarbonylContact O-C 3.58Å; S156-I163 VanDerWaalsContact O-CA 3.28Å; S156-I163 WeakPolarHBondContact O-CA 3.3Å; S156-R164 PolarHBondContact N-O 3.45Å; S156-R164 PolarHBondContact O-N 3.25Å; S156-W166 PolarHBondContact OG-NE1 3.39Å
157	T	96.3	Very high	94.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155.9	175.9	55.1	0	0	0	0	111.2	V141 R142 S143 I163 V221 V224	V141-T157 CarbonylContact C-O 3.57Å; V141-T157 WeakPolarHBondContact CA-O 3.43Å; V141-T157 VanDerWaalsContact CG1-O 3.27Å; V141-T157 WeakPolarHBondContact CG1-O 3.24Å; R142-T157 PolarHBondContact N-O 2.8Å; S143-T157 WeakPolarHBondContact CB-OG1 3.44Å; S143-T157 PolarHBondContact N-OG1 2.9Å; S143-T157 PolarHBondContact O-N 2.98Å; S143-T157 PolarHBondContact O-OG1 3.13Å; T157-I163 HydrophobicContact CG2-CG1 4.16Å; T157-V221 HydrophobicContact CG2-CB 4.05Å; T157-V221 HydrophobicContact CG2-CG1 3.45Å; T157-V221 VanDerWaalsContact CG2-CG1 3.45Å; T157-V224 HydrophobicContact CG2-CB 3.41Å; T157-V224 VanDerWaalsContact CG2-CB 3.41Å; T157-V224 HydrophobicContact CG2-CG1 3.56Å; T157-V224 HydrophobicContact CG2-CG2 4.42Å
158	S	95.6	Very high	93.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.3	179.3	171.3	0	0	0	0	112.5	H137 M139 S140 D160 G161 S162 V221	H137-S158 VanDerWaalsContact CE1-CB 3.44Å; H137-S158 WeakPolarHBondContact CE1-CB 3.13Å; H137-S158 WeakPolarHBondContact ND1-CB 3.34Å; M139-S158 VanDerWaalsContact C-OG 3.32Å; M139-S158 PolarHBondContact O-OG 2.85Å; S140-S158 VanDerWaalsContact O-CA 3.27Å; S140-S158 WeakPolarHBondContact O-CA 3.23Å; S140-S158 WeakPolarHBondContact O-CB 3.3Å; S140-S158 PolarHBondContact O-OG 3.11Å; S158-D160 VanDerWaalsContact CB-OD1 3.29Å; S158-D160 WeakPolarHBondContact CB-OD1 3.31Å; S158-D160 PolarHBondContact O-N 3.09Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 VanDerWaalsContact OG-CG 3.26Å; S158-D160 PolarHBondContact OG-N 2.99Å; S158-D160 VanDerWaalsContact OG-N 3.09Å; S158-D160 PolarHBondContact OG-OD1 3.23Å; S158-G161 PolarHBondContact O-N 3.47Å; S158-S162 PolarHBondContact N-O 2.59Å; S158-V221 PolarHBondContact O-N 2.97Å
159	R	93.6	Very high	93.9	Very high	74 Å²	74	23 Å²	23	28%	0.279	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.9	167	-170.7	177.7	178.5	-166.5	7.5	113	M139 S140 G161 D217 S220	M139-R159 HydrophobicContact CB-CB 3.83Å; M139-R159 HydrophobicContact CB-CG 4.41Å; M139-R159 HydrophobicContact CE-CG 3.86Å; M139-R159 HydrophobicContact SD-CB 4.39Å; M139-R159 HydrophobicContact SD-CG 4.09Å; S140-R159 PolarHBondContact O-N 2.77Å; R159-G161 PolarHBondContact O-N 2.9Å; R159-D217 IonicContact CZ-OD1 2.66Å; R159-D217 IonicContact CZ-OD2 2.76Å; R159-D217 IonicContact NE-OD1 3.6Å; R159-D217 PolarHBondContact NE-OD1 2.72Å; R159-D217 IonicContact NH2-OD1 3.65Å; R159-D217 PolarHBondContact NH2-OD1 3.23Å; R159-D217 IonicContact NH2-OD2 3.65Å; R159-D217 PolarHBondContact NH2-OD2 3.31Å; R159-S220 WeakPolarHBondContact CA-OG 3.24Å
160	D	91	Very high	93.8	Very high	21 Å²	21	20.6 Å²	20.6	11%	0.112	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-5.5	173.2	70	16.6	0	0	0	114.2	H137 T138 M139 S158 S162	H137-D160 VanDerWaalsContact CA-OD2 3.31Å; H137-D160 WeakPolarHBondContact CA-OD2 3.4Å; H137-D160 IonicContact CG-OD2 3.68Å; H137-D160 IonicContact ND1-OD1 3.77Å; H137-D160 PolarHBondContact ND1-OD1 2.9Å; H137-D160 IonicContact ND1-OD2 3.51Å; H137-D160 PolarHBondContact ND1-OD2 3.21Å; T138-D160 PolarHBondContact N-OD2 2.67Å; T138-D160 WeakPolarHBondContact OG1-CB 3.38Å; T138-D160 PolarHBondContact OG1-OD2 2.64Å; M139-D160 HydrophobicContact CB-CB 4.07Å; M139-D160 HydrophobicContact CG-CB 3.98Å; M139-D160 HydrophobicContact SD-CB 4.44Å; S158-D160 VanDerWaalsContact CB-OD1 3.29Å; S158-D160 WeakPolarHBondContact CB-OD1 3.31Å; S158-D160 PolarHBondContact O-N 3.09Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 VanDerWaalsContact OG-CG 3.26Å; S158-D160 PolarHBondContact OG-N 2.99Å; S158-D160 VanDerWaalsContact OG-N 3.09Å; S158-D160 PolarHBondContact OG-OD1 3.23Å; D160-S162 VanDerWaalsContact C-N 3.34Å; D160-S162 VanDerWaalsContact CG-OG 3.29Å; D160-S162 WeakPolarHBondContact OD1-CA 3.3Å; D160-S162 VanDerWaalsContact OD1-CB 3.3Å; D160-S162 WeakPolarHBondContact OD1-CB 3.14Å; D160-S162 PolarHBondContact OD1-N 3.37Å; D160-S162 PolarHBondContact OD1-OG 2.78Å; D160-S162 PolarHBondContact OD2-OG 2.96Å
161	G	90.8	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	79.8	13.7	178.4	0	0	0	0	0	114.5	S158 R159 Q191 C192 Q219	S158-G161 PolarHBondContact O-N 3.47Å; R159-G161 PolarHBondContact O-N 2.9Å; G161-Q191 WeakPolarHBondContact O-CA 3.28Å; G161-Q191 PolarHBondContact O-N 3.07Å; G161-C192 PolarHBondContact O-N 3.48Å; G161-Q219 WeakPolarHBondContact CA-O 3.36Å
162	S	92	Very high	93.2	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	14%	0.138	C	C	.	.			trans	-107	152.9	175.7	71.9	0	0	0	0	113.3	H137 S158 D160 L189	H137-S162 PolarHBondContact CE1-OG 2.88Å; H137-S162 PolarHBondContact ND1-OG 3.13Å; S158-S162 PolarHBondContact N-O 2.59Å; D160-S162 VanDerWaalsContact C-N 3.34Å; D160-S162 VanDerWaalsContact CG-OG 3.29Å; D160-S162 WeakPolarHBondContact OD1-CA 3.3Å; D160-S162 VanDerWaalsContact OD1-CB 3.3Å; D160-S162 WeakPolarHBondContact OD1-CB 3.14Å; D160-S162 PolarHBondContact OD1-N 3.37Å; D160-S162 PolarHBondContact OD1-OG 2.78Å; D160-S162 PolarHBondContact OD2-OG 2.96Å; S162-L189 CarbonylContact C-O 3.51Å; S162-L189 WeakPolarHBondContact CA-O 3.4Å; S162-L189 WeakPolarHBondContact CB-O 3.49Å
163	I	94.2	Very high	92.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	165.9	-51.8	175.8	0	0	0	106.8	A155 S156 T157 L189 C192 V221 F232 S234	A155-I163 HydrophobicContact CB-CG2 4.35Å; S156-I163 CarbonylContact O-C 3.58Å; S156-I163 VanDerWaalsContact O-CA 3.28Å; S156-I163 WeakPolarHBondContact O-CA 3.3Å; T157-I163 HydrophobicContact CG2-CG1 4.16Å; I163-L189 HydrophobicContact CB-CB 4.21Å; I163-L189 PolarHBondContact N-O 2.92Å; I163-L189 PolarHBondContact O-N 3.2Å; I163-C192 HydrophobicContact CD1-CB 4.12Å; I163-C192 HydrophobicContact CG1-CB 4.31Å; I163-C192 VanDerWaalsContact CG1-SG 3.58Å; I163-V221 HydrophobicContact CG1-CG1 4.46Å; I163-F232 HydrophobicContact CD1-CD2 4.49Å; I163-F232 HydrophobicContact CD1-CE2 3.68Å; I163-F232 HydrophobicContact CG2-CE2 3.99Å; I163-F232 HydrophobicContact CG2-CZ 4.31Å; I163-S234 VanDerWaalsContact CD1-CB 3.43Å
164	R	94.7	Very high	91.9	Very high	42 Å²	42	32.9 Å²	32.9	16%	0.158	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.3	-179.9	-69.6	-173.5	170.5	-113.6	2.1	110.8	G136 A155 S156 W166 S185 G187 V188	G136-R164 VanDerWaalsContact C-NH2 3.33Å; G136-R164 PolarHBondContact O-NE 3.21Å; G136-R164 PolarHBondContact O-NH2 3.44Å; A155-R164 CarbonylContact C-O 3.58Å; A155-R164 VanDerWaalsContact CA-O 3.26Å; A155-R164 WeakPolarHBondContact CA-O 3.46Å; S156-R164 PolarHBondContact N-O 3.45Å; S156-R164 PolarHBondContact O-N 3.25Å; R164-W166 HydrophobicContact CB-CH2 4.36Å; R164-W166 HydrophobicContact CB-CZ2 3.47Å; R164-W166 VanDerWaalsContact CB-CZ2 3.47Å; R164-W166 VanDerWaalsContact CD-CZ2 3.48Å; R164-W166 HydrophobicContact CG-CZ2 4.11Å; R164-W166 PolarHBondContact O-NE1 2.94Å; R164-S185 PolarHBondContact NH1-OG 3.45Å; R164-G187 WeakPolarHBondContact CA-O 3.45Å; R164-V188 HydrophobicContact CG-CG1 4.17Å; R164-V188 HydrophobicContact CG-CG2 4.14Å
165	M	95.2	Very high	91.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.3	174.7	-70.5	-57	-58.3	0	0	110.7	I153 A155 S185 V186 G187 F226 L247 F251 I755	I153-M165 HydrophobicContact CG2-CE 3.5Å; I153-M165 VanDerWaalsContact CG2-CE 3.5Å; A155-M165 HydrophobicContact CB-SD 3.64Å; M165-S185 CarbonylContact O-C 3.57Å; M165-S185 WeakPolarHBondContact O-CA 3.4Å; M165-S185 WeakPolarHBondContact O-CB 3.24Å; M165-V186 PolarHBondContact O-N 3.03Å; M165-G187 PolarHBondContact N-O 3.45Å; M165-F226 HydrophobicContact CE-CZ 3.72Å; M165-F226 HydrophobicContact SD-CZ 3.89Å; M165-L247 HydrophobicContact CE-CD2 4.45Å; M165-L247 HydrophobicContact CG-CD2 4.22Å; M165-L247 HydrophobicContact SD-CD2 4.07Å; M165-F251 HydrophobicContact CB-CE2 4.3Å; M165-F251 HydrophobicContact CB-CZ 4.21Å; M165-F251 HydrophobicContact CG-CE2 3.41Å; M165-F251 VanDerWaalsContact CG-CE2 3.41Å; M165-F251 HydrophobicContact CG-CZ 3.55Å; M165-I755 HydrophobicContact CB-CD1 4.32Å
166	W	95.5	Very high	89.9	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.7	-175.9	-47.1	94.9	0	0	0	110.4	I120 F134 F135 I153 F154 S156 R164	I120-W166 HydrophobicContact CD1-CZ2 4.2Å; F134-W166 HydrophobicContact CB-CD2 4.12Å; F134-W166 HydrophobicContact CB-CE3 3.72Å; F134-W166 HydrophobicContact CB-CH2 4.29Å; F134-W166 HydrophobicContact CB-CZ3 3.79Å; F134-W166 HydrophobicContact CD1-CB 3.96Å; F134-W166 HydrophobicContact CD1-CD2 4.12Å; F134-W166 AromaticContact CD1-CE3 3.79Å; F134-W166 HydrophobicContact CD1-CE3 3.79Å; F134-W166 HydrophobicContact CD1-CG 4.21Å; F134-W166 HydrophobicContact CE1-CB 4.17Å; F134-W166 HydrophobicContact CG-CD2 4.48Å; F134-W166 HydrophobicContact CG-CE3 4.22Å; F135-W166 VanDerWaalsContact O-CH2 3.27Å; F135-W166 WeakPolarHBondContact O-CH2 3.42Å; F135-W166 WeakPolarHBondContact O-CZ3 3.47Å; I153-W166 WeakPolarHBondContact CA-O 3.5Å; F154-W166 HydrophobicContact CD1-CB 3.9Å; F154-W166 HydrophobicContact CD2-CB 4.18Å; F154-W166 AromaticContact CD2-CD1 3.57Å; F154-W166 HydrophobicContact CD2-CG 4.18Å; F154-W166 HydrophobicContact CE1-CB 3.42Å; F154-W166 VanDerWaalsContact CE1-CB 3.42Å; F154-W166 HydrophobicContact CE1-CG 4.18Å; F154-W166 HydrophobicContact CE2-CB 3.73Å; F154-W166 AromaticContact CE2-CD1 3.19Å; F154-W166 AromaticContact CE2-CG 3.58Å; F154-W166 HydrophobicContact CE2-CG 3.58Å; F154-W166 AromaticContact CE2-NE1 3.98Å; F154-W166 HydrophobicContact CG-CB 4.25Å; F154-W166 HydrophobicContact CZ-CB 3.34Å; F154-W166 AromaticContact CZ-CD1 3.72Å; F154-W166 AromaticContact CZ-CG 3.58Å; F154-W166 HydrophobicContact CZ-CG 3.58Å; F154-W166 PolarHBondContact N-O 2.88Å; F154-W166 VanDerWaalsContact N-O 3.16Å; F154-W166 PolarHBondContact O-N 3.08Å; S156-W166 PolarHBondContact OG-NE1 3.39Å; R164-W166 HydrophobicContact CB-CH2 4.36Å; R164-W166 HydrophobicContact CB-CZ2 3.47Å; R164-W166 VanDerWaalsContact CB-CZ2 3.47Å; R164-W166 VanDerWaalsContact CD-CZ2 3.48Å; R164-W166 HydrophobicContact CG-CZ2 4.11Å; R164-W166 PolarHBondContact O-NE1 2.94Å
167	D	93.5	Very high	88.5	Confident	3 Å²	3	49 Å²	49	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	120	171.1	-173.3	-26.2	0	0	0	107.9	H152 I153 R169 V170 V186	H152-D167 CarbonylContact O-C 3.55Å; H152-D167 VanDerWaalsContact O-CA 3.31Å; H152-D167 WeakPolarHBondContact O-CA 3.21Å; I153-D167 HydrophobicContact CG1-CB 4.42Å; D167-R169 PolarHBondContact O-N 3.35Å; D167-R169 VanDerWaalsContact OD1-CB 3.26Å; D167-R169 WeakPolarHBondContact OD1-CB 3.38Å; D167-R169 IonicContact OD1-CZ 3.66Å; D167-R169 PolarHBondContact OD1-N 3.2Å; D167-R169 IonicContact OD1-NE 3.42Å; D167-R169 PolarHBondContact OD1-NE 2.76Å; D167-R169 IonicContact OD1-NH2 3.08Å; D167-R169 IonicContact OD2-CZ 3.19Å; D167-R169 IonicContact OD2-NE 2.89Å; D167-R169 PolarHBondContact OD2-NE 2.84Å; D167-R169 IonicContact OD2-NH2 3.15Å; D167-R169 PolarHBondContact OD2-NH2 2.76Å; D167-R169 VanDerWaalsContact OD2-NH2 3.08Å; D167-V170 HydrophobicContact CB-CG2 3.95Å; D167-V170 PolarHBondContact O-N 2.98Å; D167-V186 HydrophobicContact CB-CG2 4.13Å
168	T	92.4	Very high	87.4	Confident	17 Å²	17	57.2 Å²	57.2	10%	0.104	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.2	-178.2	67.8	0	0	0	0	112.8	Q132 F134 H152 F154	Q132-T168 PolarHBondContact OE1-O 2.73Å; F134-T168 HydrophobicContact CE1-CG2 4.44Å; F134-T168 HydrophobicContact CZ-CG2 3.9Å; H152-T168 WeakPolarHBondContact CA-OG1 3.03Å; H152-T168 WeakPolarHBondContact CB-OG1 3.48Å; H152-T168 PolarHBondContact ND1-OG1 3.17Å; H152-T168 PolarHBondContact O-N 2.79Å; F154-T168 HydrophobicContact CD1-CG2 4.13Å; F154-T168 HydrophobicContact CE1-CG2 3.75Å
169	R	90.9	Very high	86.6	Confident	103 Å²	103	59.8 Å²	59.8	39%	0.389	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.6	178.4	-62.6	166.6	-72.8	-154.3	-1.7	112.6	D150 H152 D167 K171	D150-R169 IonicContact OD1-CZ 3.55Å; D150-R169 IonicContact OD1-NH1 3.18Å; D150-R169 PolarHBondContact OD1-NH1 3.04Å; D150-R169 IonicContact OD1-NH2 2.92Å; D150-R169 IonicContact OD2-CZ 3.19Å; D150-R169 IonicContact OD2-NH1 2.86Å; D150-R169 PolarHBondContact OD2-NH1 3.19Å; D150-R169 IonicContact OD2-NH2 3.47Å; D150-R169 PolarHBondContact OD2-NH2 3.46Å; H152-R169 HydrophobicContact CB-CG 3.99Å; D167-R169 PolarHBondContact O-N 3.35Å; D167-R169 VanDerWaalsContact OD1-CB 3.26Å; D167-R169 WeakPolarHBondContact OD1-CB 3.38Å; D167-R169 IonicContact OD1-CZ 3.66Å; D167-R169 PolarHBondContact OD1-N 3.2Å; D167-R169 IonicContact OD1-NE 3.42Å; D167-R169 PolarHBondContact OD1-NE 2.76Å; D167-R169 IonicContact OD1-NH2 3.08Å; D167-R169 IonicContact OD2-CZ 3.19Å; D167-R169 IonicContact OD2-NE 2.89Å; D167-R169 PolarHBondContact OD2-NE 2.84Å; D167-R169 IonicContact OD2-NH2 3.15Å; D167-R169 PolarHBondContact OD2-NH2 2.76Å; D167-R169 VanDerWaalsContact OD2-NH2 3.08Å; R169-K171 PolarHBondContact O-N 2.88Å
170	V	89.5	Confident	86	Confident	34 Å²	34	58.4 Å²	58.4	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	-70.4	126.8	177.3	175.1	0	0	0	0	108.4	Q132 D167 I183 P754	Q132-V170 PolarHBondContact NE2-O 3.47Å; D167-V170 HydrophobicContact CB-CG2 3.95Å; D167-V170 PolarHBondContact O-N 2.98Å; V170-I183 HydrophobicContact CB-CG2 4.09Å; V170-I183 HydrophobicContact CG1-CG2 3.84Å; V170-I183 WeakPolarHBondContact O-CD1 3.48Å; V170-I183 WeakPolarHBondContact O-CG1 3.32Å; V170-P754 HydrophobicContact CG2-CG 4.3Å
171	K	86.1	Confident	85.7	Confident	176 Å²	176	61.5 Å²	61.5	77%	0.765	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-68.1	152.6	173.9	-68.8	-172.3	178.2	-176.4	0	110	R169 D173	R169-K171 PolarHBondContact O-N 2.88Å; K171-D173 PolarHBondContact O-N 2.76Å; K171-D173 VanDerWaalsContact O-N 3.07Å
172	P	85.7	Confident	85.5	Confident	69 Å²	69	61.5 Å²	61.5	45%	0.448	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-51.8	119.8	172.8	-24.3	34.2	0	0	0	110.7	P181 G182	P172-P181 HydrophobicContact CB-CB 3.95Å; P172-G182 WeakPolarHBondContact CA-O 3.22Å
173	D	82.4	Confident	85.4	Confident	103 Å²	103	61.1 Å²	61.1	55%	0.551	32%	0.32	S	S	*	.			trans	-115.9	-9.3	-173.8	68.2	-22	0	0	0	112.4	K171 G182 S184	K171-D173 PolarHBondContact O-N 2.76Å; K171-D173 VanDerWaalsContact O-N 3.07Å; D173-G182 PolarHBondContact N-O 3.36Å; D173-G182 VanDerWaalsContact N-O 3.11Å; D173-S184 PolarHBondContact OD1-N 3.32Å; D173-S184 PolarHBondContact OD1-OG 3.44Å; D173-S184 VanDerWaalsContact OD1-OG 3.05Å
174	A	79.4	Confident	85.2	Confident	35 Å²	35	63.3 Å²	63.3	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	169.2	-177.2	0	0	0	0	0	111.4	P181 G182 S184	A174-P181 CarbonylContact O-C 3.55Å; A174-P181 WeakPolarHBondContact O-CA 3.27Å; A174-G182 PolarHBondContact N-O 3.21Å; A174-G182 VanDerWaalsContact N-O 3.12Å; A174-G182 PolarHBondContact O-N 2.85Å; A174-S184 WeakPolarHBondContact CB-OG 3.29Å
175	V	79	Confident	84.8	Confident	99 Å²	99	62.4 Å²	62.4	60%	0.6	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	134	174.8	-173.5	0	0	0	0	107.9	G179 S180	V175-G179 VanDerWaalsContact CG1-O 3.22Å; V175-G179 WeakPolarHBondContact CG1-O 3.47Å; V175-S180 CarbonylContact C-O 3.5Å; V175-S180 WeakPolarHBondContact CA-O 3.44Å
176	N	72.7	Confident	84.5	Confident	22 Å²	22	63.7 Å²	63.7	12%	0.118	34%	0.343	C	S	.	.			trans	-72.3	174.6	178.1	72.3	7.7	0	0	0	111.9	F135 R178 G179 S180	F135-N176 HydrophobicContact CD1-CB 3.79Å; F135-N176 HydrophobicContact CD2-CB 3.87Å; F135-N176 HydrophobicContact CE1-CB 3.59Å; F135-N176 VanDerWaalsContact CE1-ND2 3.26Å; F135-N176 WeakPolarHBondContact CE1-ND2 3.31Å; F135-N176 HydrophobicContact CE2-CB 3.69Å; F135-N176 HydrophobicContact CG-CB 3.89Å; F135-N176 HydrophobicContact CZ-CB 3.51Å; F135-N176 WeakPolarHBondContact CZ-ND2 3.29Å; N176-R178 PolarHBondContact O-N 3.12Å; N176-R178 VanDerWaalsContact OD1-CA 3.24Å; N176-R178 WeakPolarHBondContact OD1-CA 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.43Å; N176-R178 PolarHBondContact OD1-N 3.14Å; N176-G179 PolarHBondContact O-N 2.88Å; N176-G179 PolarHBondContact OD1-N 3.18Å; N176-S180 PolarHBondContact N-O 2.99Å; N176-S180 WeakPolarHBondContact ND2-CB 3.4Å; N176-S180 PolarHBondContact OD1-N 2.99Å; N176-S180 PolarHBondContact OD1-O 3.37Å
177	F	68.3	Low	84.1	Confident	218 Å²	218	64 Å²	64	96%	0.956	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.3	175.2	-65.1	-73.1	0	0	0	114.3
178	R	72.7	Confident	83.9	Confident	172 Å²	172	66.6 Å²	66.6	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1	176.8	-73.4	-168.9	-97.2	-115.7	1.5	113.7	N176	N176-R178 PolarHBondContact O-N 3.12Å; N176-R178 VanDerWaalsContact OD1-CA 3.24Å; N176-R178 WeakPolarHBondContact OD1-CA 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.43Å; N176-R178 PolarHBondContact OD1-N 3.14Å
179	G	78.3	Confident	83.7	Confident	55 Å²	55	66.2 Å²	66.2	57%	0.567	36%	0.36	S	S	*	.	S	Bend	trans	84.2	2.7	-177.6	0	0	0	0	0	115.2	V175 N176	V175-G179 VanDerWaalsContact CG1-O 3.22Å; V175-G179 WeakPolarHBondContact CG1-O 3.47Å; N176-G179 PolarHBondContact O-N 2.88Å; N176-G179 PolarHBondContact OD1-N 3.18Å
180	S	81.5	Confident	83.5	Confident	45 Å²	45	65.6 Å²	65.6	32%	0.315	37%	0.369	S	S	.	.			trans	-85.4	138.6	177.9	-38.2	0	0	0	0	111.5	V175 N176	V175-S180 CarbonylContact C-O 3.5Å; V175-S180 WeakPolarHBondContact CA-O 3.44Å; N176-S180 PolarHBondContact N-O 2.99Å; N176-S180 WeakPolarHBondContact ND2-CB 3.4Å; N176-S180 PolarHBondContact OD1-N 2.99Å; N176-S180 PolarHBondContact OD1-O 3.37Å
181	P	85.2	Confident	83.2	Confident	86 Å²	86	70 Å²	70	56%	0.558	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	146.3	175.8	29.1	-34.8	0	0	0	111.1	P172 A174	P172-P181 HydrophobicContact CB-CB 3.95Å; A174-P181 CarbonylContact O-C 3.55Å; A174-P181 WeakPolarHBondContact O-CA 3.27Å
182	G	87.2	Confident	83.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-178.6	170.5	0	0	0	0	0	113.7	Q133 P172 D173 A174	Q133-G182 CarbonylContact O-C 3.5Å; Q133-G182 WeakPolarHBondContact O-CA 3.49Å; P172-G182 WeakPolarHBondContact CA-O 3.22Å; D173-G182 PolarHBondContact N-O 3.36Å; D173-G182 VanDerWaalsContact N-O 3.11Å; A174-G182 PolarHBondContact N-O 3.21Å; A174-G182 VanDerWaalsContact N-O 3.12Å; A174-G182 PolarHBondContact O-N 2.85Å
183	I	90	Very high	83.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.5	-177.6	-56.9	165.1	0	0	0	111	Q132 Q133 F134 F135 V170	Q132-I183 HydrophobicContact CG-CD1 3.64Å; Q132-I183 HydrophobicContact CG-CG1 3.95Å; Q133-I183 PolarHBondContact O-N 3.46Å; F134-I183 HydrophobicContact CD1-CB 3.92Å; F134-I183 HydrophobicContact CD1-CD1 3.49Å; F134-I183 VanDerWaalsContact CD1-CD1 3.49Å; F134-I183 HydrophobicContact CD1-CG1 4.33Å; F134-I183 HydrophobicContact CD1-CG2 4.31Å; F134-I183 HydrophobicContact CE1-CB 4.4Å; F134-I183 HydrophobicContact CE1-CD1 3.11Å; F134-I183 HydrophobicContact CE1-CG1 4.36Å; F134-I183 HydrophobicContact CG-CD1 4.37Å; F134-I183 HydrophobicContact CZ-CD1 3.7Å; F135-I183 PolarHBondContact N-O 3.46Å; V170-I183 HydrophobicContact CB-CG2 4.09Å; V170-I183 HydrophobicContact CG1-CG2 3.84Å; V170-I183 WeakPolarHBondContact O-CD1 3.48Å; V170-I183 WeakPolarHBondContact O-CG1 3.32Å
184	S	88.4	Confident	82.7	Confident	48 Å²	48	56.7 Å²	56.7	34%	0.336	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	143.7	166.2	-52.3	0	0	0	0	111.8	D173 A174 V186	D173-S184 PolarHBondContact OD1-N 3.32Å; D173-S184 PolarHBondContact OD1-OG 3.44Å; D173-S184 VanDerWaalsContact OD1-OG 3.05Å; A174-S184 WeakPolarHBondContact CB-OG 3.29Å; S184-V186 PolarHBondContact O-N 3.39Å
185	S	87.2	Confident	82	Confident	22 Å²	22	56.5 Å²	56.5	15%	0.154	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-61.1	136.6	177.9	58.6	0	0	0	0	111.7	R164 M165 G187 V188	R164-S185 PolarHBondContact NH1-OG 3.45Å; M165-S185 CarbonylContact O-C 3.57Å; M165-S185 WeakPolarHBondContact O-CA 3.4Å; M165-S185 WeakPolarHBondContact O-CB 3.24Å; S185-G187 PolarHBondContact O-N 3.35Å; S185-V188 VanDerWaalsContact OG-CG2 3.23Å; S185-V188 WeakPolarHBondContact OG-CG2 3.42Å
186	V	87.8	Confident	80.7	Confident	30 Å²	30	60.9 Å²	60.9	18%	0.182	33%	0.331	C	S	.	.	S	Bend	trans	-67.9	-25.2	176.5	-169.4	0	0	0	0	111.3	M165 D167 S184 I755	M165-V186 PolarHBondContact O-N 3.03Å; D167-V186 HydrophobicContact CB-CG2 4.13Å; S184-V186 PolarHBondContact O-N 3.39Å; V186-I755 HydrophobicContact CB-CD1 3.88Å; V186-I755 HydrophobicContact CG1-CB 3.74Å; V186-I755 HydrophobicContact CG1-CD1 3.66Å; V186-I755 HydrophobicContact CG1-CG1 4.11Å; V186-I755 HydrophobicContact CG1-CG2 4.22Å; V186-I755 HydrophobicContact CG2-CD1 4.41Å
187	G	87.4	Confident	79.6	Confident	8 Å²	8	65.2 Å²	65.2	8%	0.082	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	150.3	179.2	0	0	0	0	0	112.8	R164 M165 S185 F251	R164-G187 WeakPolarHBondContact CA-O 3.45Å; M165-G187 PolarHBondContact N-O 3.45Å; S185-G187 PolarHBondContact O-N 3.35Å; G187-F251 VanDerWaalsContact C-CE1 3.48Å
188	V	89.1	Confident	78	Confident	57 Å²	57	60.6 Å²	60.6	35%	0.345	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.3	179.1	-172.4	0	0	0	0	110.5	R164 S185 P190	R164-V188 HydrophobicContact CG-CG1 4.17Å; R164-V188 HydrophobicContact CG-CG2 4.14Å; S185-V188 VanDerWaalsContact OG-CG2 3.23Å; S185-V188 WeakPolarHBondContact OG-CG2 3.42Å; V188-P190 WeakPolarHBondContact O-CD 3.28Å
189	L	88.7	Confident	76.4	Confident	8 Å²	8	59 Å²	59	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	103.4	162.5	-79.1	179.7	0	0	0	109.7	S162 I163 C192 F232 W245 V250 A259	S162-L189 CarbonylContact C-O 3.51Å; S162-L189 WeakPolarHBondContact CA-O 3.4Å; S162-L189 WeakPolarHBondContact CB-O 3.49Å; I163-L189 HydrophobicContact CB-CB 4.21Å; I163-L189 PolarHBondContact N-O 2.92Å; I163-L189 PolarHBondContact O-N 3.2Å; L189-C192 VanDerWaalsContact CB-SG 3.59Å; L189-C192 PolarHBondContact O-SG 2.91Å; L189-C192 VanDerWaalsContact O-SG 3.36Å; L189-F232 HydrophobicContact CD1-CE2 4.28Å; L189-F232 HydrophobicContact CD1-CZ 3.6Å; L189-W245 HydrophobicContact CD1-CD2 4.06Å; L189-W245 HydrophobicContact CD1-CE3 4.01Å; L189-W245 HydrophobicContact CD1-CG 4.29Å; L189-V250 HydrophobicContact CD1-CB 4.44Å; L189-V250 HydrophobicContact CD1-CG1 3.76Å; L189-V250 HydrophobicContact CD1-CG2 3.85Å; L189-V250 HydrophobicContact CD2-CB 4.1Å; L189-V250 HydrophobicContact CD2-CG1 3.26Å; L189-V250 HydrophobicContact CD2-CG2 3.89Å; L189-V250 HydrophobicContact CG-CB 4.44Å; L189-V250 HydrophobicContact CG-CG1 3.38Å; L189-V250 HydrophobicContact CG-CG2 4.27Å; L189-A259 HydrophobicContact CD2-CB 3.52Å
190	P	86.9	Confident	74.6	Confident	90 Å²	90	62 Å²	62	58%	0.584	36%	0.361	S	S	*	.			trans	-81.6	152.8	176.7	33.3	-34	0	0	0	111.4	V188 C192	V188-P190 WeakPolarHBondContact O-CD 3.28Å; P190-C192 PolarHBondContact O-N 3.03Å
191	Q	82.5	Confident	72.5	Confident	127 Å²	127	63 Å²	63	59%	0.593	37%	0.369	S	S	*	.			trans	56.1	44.4	168.1	-60.5	-177.1	-33.6	0	0	113.6	G161 H193 V194	G161-Q191 WeakPolarHBondContact O-CA 3.28Å; G161-Q191 PolarHBondContact O-N 3.07Å; Q191-H193 VanDerWaalsContact C-N 3.28Å; Q191-H193 PolarHBondContact O-N 2.87Å; Q191-V194 HydrophobicContact CB-CG2 3.85Å; Q191-V194 WeakPolarHBondContact O-CG2 3.44Å
192	C	85.3	Confident	70.4	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.027	38%	0.377	C	S	.	.	S	Bend	trans	-63.5	-35.1	-177.1	-66	0	0	0	0	112.6	G161 I163 L189 P190 V221 K243 W245	G161-C192 PolarHBondContact O-N 3.48Å; I163-C192 HydrophobicContact CD1-CB 4.12Å; I163-C192 HydrophobicContact CG1-CB 4.31Å; I163-C192 VanDerWaalsContact CG1-SG 3.58Å; L189-C192 VanDerWaalsContact CB-SG 3.59Å; L189-C192 PolarHBondContact O-SG 2.91Å; L189-C192 VanDerWaalsContact O-SG 3.36Å; P190-C192 PolarHBondContact O-N 3.03Å; C192-V221 HydrophobicContact CB-CG2 4.27Å; C192-K243 VanDerWaalsContact O-CD 3.27Å; C192-K243 WeakPolarHBondContact O-CD 3.32Å; C192-K243 PolarHBondContact O-NZ 2.73Å; C192-W245 HydrophobicContact CB-CH2 4.34Å; C192-W245 HydrophobicContact CB-CZ2 3.77Å
193	H	84.1	Confident	68.3	Low	0 Å²	0	71.9 Å²	71.9	0%	0	42%	0.416	C	S	.	.	S	Bend	trans	-126.2	80.1	-175.4	-69.2	-91.3	0	0	0	110.9	Q191 Q219 S234 A235 G236 D239 S241	Q191-H193 VanDerWaalsContact C-N 3.28Å; Q191-H193 PolarHBondContact O-N 2.87Å; H193-Q219 PolarHBondContact O-OE1 2.77Å; H193-S234 PolarHBondContact CE1-O 2.94Å; H193-S234 WeakPolarHBondContact NE2-CB 3.18Å; H193-S234 PolarHBondContact NE2-O 2.94Å; H193-S234 PolarHBondContact NE2-OG 3.41Å; H193-A235 VanDerWaalsContact CE1-C 3.49Å; H193-G236 PolarHBondContact CE1-N 3.4Å; H193-G236 VanDerWaalsContact CG-CA 3.48Å; H193-G236 VanDerWaalsContact ND1-CA 3.26Å; H193-G236 WeakPolarHBondContact ND1-CA 3.49Å; H193-G236 PolarHBondContact ND1-N 3.13Å; H193-D239 WeakPolarHBondContact CA-OD2 3.37Å; H193-D239 WeakPolarHBondContact CB-OD2 3.27Å; H193-D239 IonicContact CE1-OD1 2.72Å; H193-D239 IonicContact CE1-OD2 3.77Å; H193-D239 IonicContact CG-OD1 3.89Å; H193-D239 IonicContact CG-OD2 3.59Å; H193-D239 VanDerWaalsContact CG-OD2 3.32Å; H193-D239 IonicContact ND1-OD1 3.63Å; H193-D239 PolarHBondContact ND1-OD1 3.06Å; H193-D239 IonicContact ND1-OD2 3.17Å; H193-D239 PolarHBondContact ND1-OD2 3.49Å; H193-S241 PolarHBondContact CE1-O 3.28Å
194	V	75.2	Confident	65.8	Low	65 Å²	65	77.7 Å²	77.7	39%	0.394	45%	0.447	S	S	.	.			trans	-87.6	126	174.3	-168.8	0	0	0	0	109.4	Q191 F196 Q219	Q191-V194 HydrophobicContact CB-CG2 3.85Å; Q191-V194 WeakPolarHBondContact O-CG2 3.44Å; V194-F196 PolarHBondContact O-N 3.45Å; V194-Q219 VanDerWaalsContact CA-OE1 3.31Å
195	P	64.4	Low	63.6	Low	31 Å²	31	79.5 Å²	79.5	20%	0.201	47%	0.474	C	S	.	.			trans	-63.7	132.5	171.7	27	-29.8	0	0	0	109.2	L197 A218	P195-L197 PolarHBondContact O-N 2.88Å; P195-A218 HydrophobicContact CG-CB 4.03Å
196	F	51.1	Low	61.3	Low	191 Å²	191	88.8 Å²	88.8	84%	0.838	51%	0.505	S	S	*	.			trans	-62	107.4	171.5	-70.1	-84	0	0	0	108.8	V194 P198	V194-F196 PolarHBondContact O-N 3.45Å; F196-P198 WeakPolarHBondContact O-CD 3.45Å
197	L	49.3	Very low	58.8	Low	112 Å²	112	98.9 Å²	98.9	59%	0.586	54%	0.54	S	S	*	.			trans	-82.9	118.4	162.9	-81.3	113.4	0	0	0	108.2	P195 N199	P195-L197 PolarHBondContact O-N 2.88Å; L197-N199 PolarHBondContact O-N 3.09Å
198	P	36.4	Very low	56.4	Low	121 Å²	121	103.3 Å²	103.3	79%	0.786	57%	0.566	S	S	*	*	S	Bend	trans	-64.9	124.1	167.7	22.9	-23.5	0	0	0	108.3	F196	F196-P198 WeakPolarHBondContact O-CD 3.45Å
199	N	37.5	Very low	53.9	Low	140 Å²	140	112 Å²	112	75%	0.749	59%	0.593	S	S	*	*			trans	55.5	82.9	176.7	-70.6	-7	0	0	0	116.8	L197 S201	L197-N199 PolarHBondContact O-N 3.09Å; N199-S201 WeakPolarHBondContact CB-OG 3.46Å; N199-S201 VanDerWaalsContact CG-OG 3.28Å
200	S	41.2	Very low	51.5	Low	116 Å²	116	115.5 Å²	115.5	81%	0.811	61%	0.614	S	S	*	*			trans	-89.7	48	133	-176.5	0	0	0	0	109.7	N202	S200-N202 PolarHBondContact O-N 2.84Å
201	S	38.1	Very low	49	Very low	68 Å²	68	116.6 Å²	116.6	48%	0.476	62%	0.621	S	S	.	*			trans	-84.8	59.2	160.2	62.6	0	0	0	0	108.4	N199 T203	N199-S201 WeakPolarHBondContact CB-OG 3.46Å; N199-S201 VanDerWaalsContact CG-OG 3.28Å; S201-T203 PolarHBondContact O-N 3.15Å
202	N	40.4	Very low	46.8	Very low	135 Å²	135	120.5 Å²	120.5	72%	0.722	64%	0.636	S	S	*	*			trans	-86.5	98.7	156.7	-88.9	-10.3	0	0	0	105.6	S200 D204	S200-N202 PolarHBondContact O-N 2.84Å; N202-D204 PolarHBondContact O-N 2.93Å; N202-D204 VanDerWaalsContact O-N 3.08Å
203	T	44.1	Very low	44.7	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	67%	0.667	S	S	*	*			trans	-61.1	3.2	166.5	38.7	0	0	0	0	113.3	S201 G205	S201-T203 PolarHBondContact O-N 3.15Å; T203-G205 PolarHBondContact O-N 2.83Å
204	D	37.6	Very low	42.9	Very low	122 Å²	122	133.6 Å²	133.6	65%	0.652	70%	0.7	S	S	*	*			trans	-87.7	108.9	172.3	-72.5	-23	0	0	0	110.3	N202 R206	N202-D204 PolarHBondContact O-N 2.93Å; N202-D204 VanDerWaalsContact O-N 3.08Å; D204-R206 PolarHBondContact O-N 2.94Å
205	G	41.9	Very low	41.8	Very low	86 Å²	86	132.2 Å²	132.2	89%	0.887	70%	0.696	S	S	*	*			trans	-57.6	19.3	172.4	0	0	0	0	0	115.9	T203 R207	T203-G205 PolarHBondContact O-N 2.83Å; G205-R207 PolarHBondContact O-N 3.19Å
206	R	37.6	Very low	41.6	Very low	218 Å²	218	134.3 Å²	134.3	82%	0.823	71%	0.708	S	S	*	*			trans	-74.4	101.8	159.2	-82.4	-179.8	175.5	167.6	-0.1	107.5	D204 T208	D204-R206 PolarHBondContact O-N 2.94Å; R206-T208 PolarHBondContact O-N 3.42Å
207	R	35.9	Very low	42.1	Very low	241 Å²	241	129.4 Å²	129.4	91%	0.909	69%	0.69	S	S	*	*			trans	-51.7	85.7	151.8	-78.5	179.2	173.1	170.1	-1.2	107.5	G205 R209	G205-R207 PolarHBondContact O-N 3.19Å; R207-R209 VanDerWaalsContact C-N 3.33Å; R207-R209 PolarHBondContact O-N 3.17Å
208	T	36.9	Very low	42.8	Very low	101 Å²	101	125.5 Å²	125.5	62%	0.62	67%	0.674	S	S	*	*			trans	-59.3	109.6	161.3	54.3	0	0	0	0	103.7	R206 T210	R206-T208 PolarHBondContact O-N 3.42Å; T208-T210 PolarHBondContact O-N 3.11Å
209	R	36.7	Very low	44.8	Very low	241 Å²	241	121.3 Å²	121.3	91%	0.909	64%	0.644	S	S	*	*			trans	-66.6	62.2	165.5	-69.2	-179.4	65.6	124.8	-0.9	107.4	R207 P211	R207-R209 VanDerWaalsContact C-N 3.33Å; R207-R209 PolarHBondContact O-N 3.17Å; R209-P211 WeakPolarHBondContact O-CD 3.45Å; R209-P211 VanDerWaalsContact O-N 3.15Å
210	T	38	Very low	47.2	Very low	81 Å²	81	114.9 Å²	114.9	50%	0.497	61%	0.61	S	S	.	*			trans	-61.1	117.7	159.6	53.2	0	0	0	0	104	T208 K212	T208-T210 PolarHBondContact O-N 3.11Å; T210-K212 PolarHBondContact O-N 2.68Å
211	P	35.3	Very low	49.7	Very low	112 Å²	112	109.4 Å²	109.4	73%	0.727	57%	0.572	S	S	*	*			trans	-50.5	141.1	176.9	20.7	-30.4	0	0	0	107.6	R209 R213	R209-P211 WeakPolarHBondContact O-CD 3.45Å; R209-P211 VanDerWaalsContact O-N 3.15Å; P211-R213 WeakPolarHBondContact O-CA 3.27Å; P211-R213 PolarHBondContact O-N 3.09Å
212	K	35.8	Very low	52.3	Low	210 Å²	210	107 Å²	107	91%	0.913	55%	0.554	S	S	*	*			trans	-34.4	104.5	175.1	-75.7	178.8	175.9	179.2	0	107	T210 S214	T210-K212 PolarHBondContact O-N 2.68Å; K212-S214 PolarHBondContact O-N 3.17Å
213	R	41.1	Very low	54.9	Low	180 Å²	180	100.7 Å²	100.7	68%	0.679	52%	0.521	S	S	*	.			trans	-53.4	123	-171.4	-75.9	-179.4	175	178.6	-1.9	105.6	P211 A215	P211-R213 WeakPolarHBondContact O-CA 3.27Å; P211-R213 PolarHBondContact O-N 3.09Å; R213-A215 PolarHBondContact O-N 2.91Å
214	S	46.7	Very low	57.4	Low	99 Å²	99	94.6 Å²	94.6	69%	0.692	48%	0.483	S	S	*	.			trans	-52.1	131.9	174.6	64.4	0	0	0	0	106.6	K212 T216	K212-S214 PolarHBondContact O-N 3.17Å; S214-T216 PolarHBondContact O-N 2.84Å
215	A	52.1	Low	60.2	Low	36 Å²	36	90.1 Å²	90.1	30%	0.298	46%	0.459	S	S	.	.			trans	-47.9	111.6	175.1	0	0	0	0	0	108.3	M139 R213	M139-A215 HydrophobicContact SD-CB 3.61Å; R213-A215 PolarHBondContact O-N 2.91Å
216	T	59.6	Low	62.8	Low	74 Å²	74	86.1 Å²	86.1	45%	0.454	42%	0.417	S	S	.	.			trans	-82.8	158.1	175.7	53.4	0	0	0	0	107.9	S214 A218 Q219	S214-T216 PolarHBondContact O-N 2.84Å; T216-A218 PolarHBondContact O-N 2.77Å; T216-Q219 PolarHBondContact O-N 2.78Å
217	D	61.3	Low	65.5	Low	89 Å²	89	76.3 Å²	76.3	48%	0.476	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-44.8	-32	172.3	-81.8	-43.1	0	0	0	113.9	R159 Q219 S220 S237	R159-D217 IonicContact CZ-OD1 2.66Å; R159-D217 IonicContact CZ-OD2 2.76Å; R159-D217 IonicContact NE-OD1 3.6Å; R159-D217 PolarHBondContact NE-OD1 2.72Å; R159-D217 IonicContact NH2-OD1 3.65Å; R159-D217 PolarHBondContact NH2-OD1 3.23Å; R159-D217 IonicContact NH2-OD2 3.65Å; R159-D217 PolarHBondContact NH2-OD2 3.31Å; D217-Q219 PolarHBondContact O-N 2.8Å; D217-S220 VanDerWaalsContact O-CB 3.26Å; D217-S220 WeakPolarHBondContact O-CB 3.42Å; D217-S220 PolarHBondContact O-N 2.62Å; D217-S237 PolarHBondContact O-OG 3.44Å; D217-S237 VanDerWaalsContact O-OG 3.05Å
218	A	64.7	Low	68.3	Low	29 Å²	29	68 Å²	68	24%	0.24	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.8	-22.5	176.9	0	0	0	0	0	115	P195 T216 S238	P195-A218 HydrophobicContact CG-CB 4.03Å; T216-A218 PolarHBondContact O-N 2.77Å; A218-S238 VanDerWaalsContact C-OG 3.28Å; A218-S238 VanDerWaalsContact CA-OG 3.24Å; A218-S238 WeakPolarHBondContact CA-OG 3.38Å; A218-S238 WeakPolarHBondContact CB-OG 3.42Å; A218-S238 PolarHBondContact O-OG 3.3Å
219	Q	78.6	Confident	70.9	Confident	34 Å²	34	65.5 Å²	65.5	16%	0.159	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-91.6	-5.8	178.9	-59.6	-72.3	-21.8	0	0	112.8	G161 H193 V194 T216 D217 V221	G161-Q219 WeakPolarHBondContact CA-O 3.36Å; H193-Q219 PolarHBondContact O-OE1 2.77Å; V194-Q219 VanDerWaalsContact CA-OE1 3.31Å; T216-Q219 PolarHBondContact O-N 2.78Å; D217-Q219 PolarHBondContact O-N 2.8Å; Q219-V221 PolarHBondContact O-N 2.8Å
220	S	88.4	Confident	73.5	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.035	30%	0.303	C	S	.	.			trans	-62.7	128	-171.4	-170.4	0	0	0	0	110.5	R159 D217 S237	R159-S220 WeakPolarHBondContact CA-OG 3.24Å; D217-S220 VanDerWaalsContact O-CB 3.26Å; D217-S220 WeakPolarHBondContact O-CB 3.42Å; D217-S220 PolarHBondContact O-N 2.62Å; S220-S237 WeakPolarHBondContact O-CB 3.03Å; S220-S237 PolarHBondContact O-N 2.82Å; S220-S237 PolarHBondContact O-OG 3.35Å
221	V	92.6	Very high	76.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.5	165.9	-170.3	0	0	0	0	106.8	T157 S158 I163 C192 Q219 A235	T157-V221 HydrophobicContact CG2-CB 4.05Å; T157-V221 HydrophobicContact CG2-CG1 3.45Å; T157-V221 VanDerWaalsContact CG2-CG1 3.45Å; S158-V221 PolarHBondContact O-N 2.97Å; I163-V221 HydrophobicContact CG1-CG1 4.46Å; C192-V221 HydrophobicContact CB-CG2 4.27Å; Q219-V221 PolarHBondContact O-N 2.8Å; V221-A235 CarbonylContact C-O 3.57Å; V221-A235 WeakPolarHBondContact CA-O 3.49Å; V221-A235 VanDerWaalsContact CG1-O 3.26Å; V221-A235 WeakPolarHBondContact CG1-O 3.41Å
222	T	93.4	Very high	79	Confident	18 Å²	18	46.7 Å²	46.7	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-42.7	-171.8	46.4	0	0	0	0	111.6	A235 Y277 F322	T222-A235 PolarHBondContact N-O 2.98Å; T222-A235 WeakPolarHBondContact OG1-CB 3.47Å; T222-A235 PolarHBondContact OG1-O 3.12Å; T222-Y277 VanDerWaalsContact CB-O 3.31Å; T222-Y277 WeakPolarHBondContact CB-O 3.26Å; T222-Y277 PolarHBondContact OG1-O 2.89Å; T222-F322 HydrophobicContact CG2-CD1 3.69Å; T222-F322 HydrophobicContact CG2-CE1 3.94Å; T222-F322 HydrophobicContact CG2-CG 4.38Å
223	S	95	Very high	81.9	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.5	179.5	62.6	0	0	0	0	112.4	S234 A235 L280	S223-S234 WeakPolarHBondContact O-CA 3Å; S223-A235 PolarHBondContact O-N 3.37Å; S223-A235 VanDerWaalsContact O-N 3.1Å; S223-A235 WeakPolarHBondContact OG-CB 3.21Å; S223-L280 WeakPolarHBondContact OG-CD1 3.34Å; S223-L280 VanDerWaalsContact OG-CG 3.24Å; S223-L280 WeakPolarHBondContact OG-CG 3.33Å
224	V	96.4	Very high	84.4	Confident	7 Å²	7	28.1 Å²	28.1	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	168.7	57.2	0	0	0	0	109.6	S143 S145 A155 T157 F232 L233	S143-V224 PolarHBondContact OG-N 3.28Å; S145-V224 WeakPolarHBondContact CB-O 3.4Å; A155-V224 HydrophobicContact CB-CG1 4.43Å; A155-V224 HydrophobicContact CB-CG2 3.94Å; T157-V224 HydrophobicContact CG2-CB 3.41Å; T157-V224 VanDerWaalsContact CG2-CB 3.41Å; T157-V224 HydrophobicContact CG2-CG1 3.56Å; T157-V224 HydrophobicContact CG2-CG2 4.42Å; V224-F232 HydrophobicContact CG2-CB 4.43Å; V224-F232 HydrophobicContact CG2-CD2 3.89Å; V224-F232 HydrophobicContact CG2-CG 4.42Å; V224-L233 WeakPolarHBondContact CA-O 3.31Å
225	L	96.6	Very high	86.7	Confident	29 Å²	29	23.4 Å²	23.4	15%	0.152	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	120.3	-179.8	-179	63.4	0	0	0	110.7	S145 V227 F232 L233 L280 V282 L289	S145-L225 WeakPolarHBondContact OG-CA 3.41Å; L225-V227 PolarHBondContact O-N 2.83Å; L225-F232 CarbonylContact O-C 3.55Å; L225-F232 VanDerWaalsContact O-CA 3.23Å; L225-F232 WeakPolarHBondContact O-CA 3.46Å; L225-F232 WeakPolarHBondContact O-CB 3.05Å; L225-L233 PolarHBondContact N-O 3.1Å; L225-L233 PolarHBondContact O-N 3.45Å; L225-L280 HydrophobicContact CB-CB 4.42Å; L225-L280 HydrophobicContact CD2-CB 4.08Å; L225-V282 HydrophobicContact CD1-CG2 4.38Å; L225-V282 HydrophobicContact CD2-CB 4.15Å; L225-V282 HydrophobicContact CD2-CG1 3.59Å; L225-V282 HydrophobicContact CD2-CG2 3.95Å; L225-V282 HydrophobicContact CG-CG1 4.45Å; L225-V282 HydrophobicContact CG-CG2 4.32Å; L225-L289 HydrophobicContact CD2-CD1 4.37Å
226	F	96.5	Very high	88.3	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.1	167.9	-81.4	-79.5	0	0	0	111.1	S145 F146 P148 A155 M165 D228 F232 L247 R286	S145-F226 WeakPolarHBondContact O-CD2 3.43Å; S145-F226 VanDerWaalsContact O-CE2 3.27Å; S145-F226 WeakPolarHBondContact O-CE2 3.46Å; S145-F226 PolarHBondContact OG-N 2.59Å; F146-F226 VanDerWaalsContact C-CD2 3.45Å; F146-F226 WeakPolarHBondContact O-CD2 3.16Å; P148-F226 HydrophobicContact CG-CB 4.08Å; A155-F226 HydrophobicContact CB-CE2 3.51Å; A155-F226 HydrophobicContact CB-CZ 3.86Å; M165-F226 HydrophobicContact CE-CZ 3.72Å; M165-F226 HydrophobicContact SD-CZ 3.89Å; F226-D228 WeakPolarHBondContact CD1-O 3.43Å; F226-F232 HydrophobicContact CD1-CB 3.81Å; F226-F232 HydrophobicContact CE1-CB 3.99Å; F226-F232 AromaticContact CE1-CD1 3.95Å; F226-F232 HydrophobicContact CE1-CD1 3.95Å; F226-F232 HydrophobicContact CE1-CG 4.35Å; F226-F232 HydrophobicContact CG-CB 4.17Å; F226-F232 HydrophobicContact CZ-CB 4.49Å; F226-F232 HydrophobicContact CZ-CD1 4.35Å; F226-L247 HydrophobicContact CE1-CD1 3.76Å; F226-L247 HydrophobicContact CZ-CD1 4.49Å; F226-R286 PolarHBondContact O-NH1 3.4Å
227	V	94.9	Very high	89.4	Confident	12 Å²	12	18.9 Å²	18.9	7%	0.073	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-47.9	169.3	176.6	0	0	0	0	108.7	L225 T231 L233 R286 L303	L225-V227 PolarHBondContact O-N 2.83Å; V227-T231 PolarHBondContact N-O 3.11Å; V227-L233 HydrophobicContact CG2-CD1 3.44Å; V227-L233 VanDerWaalsContact CG2-CD1 3.44Å; V227-L233 HydrophobicContact CG2-CG 3.65Å; V227-R286 HydrophobicContact CG1-CB 4.37Å; V227-R286 WeakPolarHBondContact O-CD 3.39Å; V227-R286 PolarHBondContact O-NH1 3.24Å; V227-L303 HydrophobicContact CG1-CD1 3.96Å; V227-L303 HydrophobicContact CG2-CD1 3.96Å
228	D	93.3	Very high	89.9	Confident	66 Å²	66	16.8 Å²	16.8	35%	0.353	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-178.9	174.1	65.1	58.4	0	0	0	109.9	F226 N230 T231	F226-D228 WeakPolarHBondContact CD1-O 3.43Å; D228-N230 PolarHBondContact O-N 3.03Å; D228-N230 VanDerWaalsContact O-N 3.07Å; D228-N230 VanDerWaalsContact OD1-CA 3.3Å; D228-N230 WeakPolarHBondContact OD1-CA 3.26Å; D228-N230 WeakPolarHBondContact OD1-CB 3.49Å; D228-N230 PolarHBondContact OD1-N 3.43Å; D228-T231 PolarHBondContact N-O 3.05Å; D228-T231 VanDerWaalsContact N-O 3.16Å; D228-T231 PolarHBondContact O-N 3.32Å; D228-T231 PolarHBondContact OD1-N 3.15Å; D228-T231 PolarHBondContact OD1-OG1 3.13Å; D228-T231 PolarHBondContact OD2-OG1 3.36Å
229	D	91.9	Very high	90.5	Very high	49 Å²	49	16.3 Å²	16.3	26%	0.262	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.8	-176.5	-60.9	-19.1	0	0	0	115.2	M147 P148 S149 L247	M147-D229 HydrophobicContact CG-CB 4.09Å; M147-D229 HydrophobicContact SD-CB 3.88Å; P148-D229 WeakPolarHBondContact CD-OD1 3.36Å; S149-D229 WeakPolarHBondContact CB-OD1 3.31Å; S149-D229 WeakPolarHBondContact CB-OD2 3.35Å; S149-D229 PolarHBondContact N-OD1 2.92Å; S149-D229 PolarHBondContact OG-OD1 3.45Å; S149-D229 PolarHBondContact OG-OD2 3.39Å; D229-L247 WeakPolarHBondContact O-CD1 3.32Å
230	N	91.6	Very high	90.6	Very high	31 Å²	31	14.7 Å²	14.7	17%	0.166	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-14.2	-179	-59.1	-83.3	0	0	0	112	D228 D246 L247 R248 F759	D228-N230 PolarHBondContact O-N 3.03Å; D228-N230 VanDerWaalsContact O-N 3.07Å; D228-N230 VanDerWaalsContact OD1-CA 3.3Å; D228-N230 WeakPolarHBondContact OD1-CA 3.26Å; D228-N230 WeakPolarHBondContact OD1-CB 3.49Å; D228-N230 PolarHBondContact OD1-N 3.43Å; N230-D246 CarbonylContact O-C 3.5Å; N230-D246 WeakPolarHBondContact O-CA 3.4Å; N230-L247 WeakPolarHBondContact O-CB 3.41Å; N230-L247 PolarHBondContact O-N 2.81Å; N230-R248 HydrophobicContact CB-CG 4.48Å; N230-R248 PolarHBondContact ND2-NH2 3.15Å; N230-R248 PolarHBondContact OD1-NE 3.11Å; N230-R248 PolarHBondContact OD1-NH2 3.09Å; N230-F759 WeakPolarHBondContact OD1-CD1 3.26Å; N230-F759 WeakPolarHBondContact OD1-CE1 3.47Å
231	T	93.2	Very high	90.5	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.043	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.9	-175	74.7	0	0	0	0	113.1	V227 D228 W245	V227-T231 PolarHBondContact N-O 3.11Å; D228-T231 PolarHBondContact N-O 3.05Å; D228-T231 VanDerWaalsContact N-O 3.16Å; D228-T231 PolarHBondContact O-N 3.32Å; D228-T231 PolarHBondContact OD1-N 3.15Å; D228-T231 PolarHBondContact OD1-OG1 3.13Å; D228-T231 PolarHBondContact OD2-OG1 3.36Å; T231-W245 WeakPolarHBondContact CA-O 3.35Å; T231-W245 WeakPolarHBondContact CB-O 3.49Å
232	F	94.7	Very high	90.6	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.2	173.3	63.5	-91.4	0	0	0	110.5	I163 L189 V224 L225 F226 W245 L247	I163-F232 HydrophobicContact CD1-CD2 4.49Å; I163-F232 HydrophobicContact CD1-CE2 3.68Å; I163-F232 HydrophobicContact CG2-CE2 3.99Å; I163-F232 HydrophobicContact CG2-CZ 4.31Å; L189-F232 HydrophobicContact CD1-CE2 4.28Å; L189-F232 HydrophobicContact CD1-CZ 3.6Å; V224-F232 HydrophobicContact CG2-CB 4.43Å; V224-F232 HydrophobicContact CG2-CD2 3.89Å; V224-F232 HydrophobicContact CG2-CG 4.42Å; L225-F232 CarbonylContact O-C 3.55Å; L225-F232 VanDerWaalsContact O-CA 3.23Å; L225-F232 WeakPolarHBondContact O-CA 3.46Å; L225-F232 WeakPolarHBondContact O-CB 3.05Å; F226-F232 HydrophobicContact CD1-CB 3.81Å; F226-F232 HydrophobicContact CE1-CB 3.99Å; F226-F232 AromaticContact CE1-CD1 3.95Å; F226-F232 HydrophobicContact CE1-CD1 3.95Å; F226-F232 HydrophobicContact CE1-CG 4.35Å; F226-F232 HydrophobicContact CG-CB 4.17Å; F226-F232 HydrophobicContact CZ-CB 4.49Å; F226-F232 HydrophobicContact CZ-CD1 4.35Å; F232-W245 HydrophobicContact CD1-CB 4.31Å; F232-W245 HydrophobicContact CD2-CB 4.09Å; F232-W245 AromaticContact CD2-CD1 3.76Å; F232-W245 HydrophobicContact CD2-CG 4.24Å; F232-W245 HydrophobicContact CE1-CB 3.8Å; F232-W245 HydrophobicContact CE2-CB 3.57Å; F232-W245 AromaticContact CE2-CD1 3.3Å; F232-W245 AromaticContact CE2-CG 3.55Å; F232-W245 HydrophobicContact CE2-CG 3.55Å; F232-W245 HydrophobicContact CG-CB 4.44Å; F232-W245 HydrophobicContact CZ-CB 3.42Å; F232-W245 VanDerWaalsContact CZ-CB 3.42Å; F232-W245 AromaticContact CZ-CG 3.79Å; F232-W245 HydrophobicContact CZ-CG 3.79Å; F232-W245 PolarHBondContact N-O 3.17Å; F232-W245 PolarHBondContact O-N 2.96Å; F232-L247 HydrophobicContact CD1-CD2 3.92Å; F232-L247 HydrophobicContact CD1-CG 3.95Å; F232-L247 HydrophobicContact CE1-CD2 3.45Å; F232-L247 VanDerWaalsContact CE1-CD2 3.45Å; F232-L247 HydrophobicContact CE1-CG 3.85Å
233	L	96.3	Very high	90.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.9	177	-65.4	163.9	0	0	0	109.6	V224 L225 V227 I242 K243 M244 F265 L280 L289 L303	V224-L233 WeakPolarHBondContact CA-O 3.31Å; L225-L233 PolarHBondContact N-O 3.1Å; L225-L233 PolarHBondContact O-N 3.45Å; V227-L233 HydrophobicContact CG2-CD1 3.44Å; V227-L233 VanDerWaalsContact CG2-CD1 3.44Å; V227-L233 HydrophobicContact CG2-CG 3.65Å; L233-I242 HydrophobicContact CB-CG2 4.26Å; L233-I242 HydrophobicContact CD2-CG2 4.08Å; L233-K243 CarbonylContact C-O 3.53Å; L233-K243 VanDerWaalsContact CA-O 3.3Å; L233-K243 WeakPolarHBondContact CA-O 3.27Å; L233-M244 HydrophobicContact CD2-CB 3.62Å; L233-M244 HydrophobicContact CD2-CG 3.65Å; L233-M244 HydrophobicContact CD2-SD 4.19Å; L233-M244 HydrophobicContact CG-CG 4.42Å; L233-F265 HydrophobicContact CD2-CE2 3.95Å; L233-L280 HydrophobicContact CB-CD1 4.2Å; L233-L289 HydrophobicContact CD1-CD1 3.63Å; L233-L289 HydrophobicContact CD1-CD2 3.75Å; L233-L289 HydrophobicContact CD1-CG 4.17Å; L233-L303 HydrophobicContact CD1-CD1 4.34Å; L233-L303 HydrophobicContact CD1-CD2 4.36Å
234	S	95.3	Very high	90.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.9	170.3	69.8	0	0	0	0	111.2	I163 H193 S223 I242 K243 W245	I163-S234 VanDerWaalsContact CD1-CB 3.43Å; H193-S234 PolarHBondContact CE1-O 2.94Å; H193-S234 WeakPolarHBondContact NE2-CB 3.18Å; H193-S234 PolarHBondContact NE2-O 2.94Å; H193-S234 PolarHBondContact NE2-OG 3.41Å; S223-S234 WeakPolarHBondContact O-CA 3Å; S234-I242 CarbonylContact O-C 3.54Å; S234-I242 WeakPolarHBondContact O-CA 3.46Å; S234-K243 PolarHBondContact N-O 3.16Å; S234-K243 PolarHBondContact O-N 3.23Å; S234-W245 PolarHBondContact OG-NE1 3.2Å
235	A	93.7	Very high	90.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139	174.7	0	0	0	0	0	111.5	H193 V221 T222 S223 L280	H193-A235 VanDerWaalsContact CE1-C 3.49Å; V221-A235 CarbonylContact C-O 3.57Å; V221-A235 WeakPolarHBondContact CA-O 3.49Å; V221-A235 VanDerWaalsContact CG1-O 3.26Å; V221-A235 WeakPolarHBondContact CG1-O 3.41Å; T222-A235 PolarHBondContact N-O 2.98Å; T222-A235 WeakPolarHBondContact OG1-CB 3.47Å; T222-A235 PolarHBondContact OG1-O 3.12Å; S223-A235 PolarHBondContact O-N 3.37Å; S223-A235 VanDerWaalsContact O-N 3.1Å; S223-A235 WeakPolarHBondContact OG-CB 3.21Å; A235-L280 HydrophobicContact CB-CD1 3.85Å; A235-L280 HydrophobicContact CB-CD2 4.4Å; A235-L280 HydrophobicContact CB-CG 4.13Å
236	G	86.9	Confident	90.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.2	174.2	0	0	0	0	0	112.2	H193 D239 S241	H193-G236 PolarHBondContact CE1-N 3.4Å; H193-G236 VanDerWaalsContact CG-CA 3.48Å; H193-G236 VanDerWaalsContact ND1-CA 3.26Å; H193-G236 WeakPolarHBondContact ND1-CA 3.49Å; H193-G236 PolarHBondContact ND1-N 3.13Å; G236-D239 WeakPolarHBondContact CA-OD1 3.26Å; G236-S241 PolarHBondContact N-O 3.43Å
237	S	82	Confident	89.6	Confident	15 Å²	15	15.1 Å²	15.1	11%	0.105	9%	0.085	C	C	.	.	S	Bend	trans	-70.9	-35.5	174.9	53.9	0	0	0	0	114	D217 S220 G276 F322	D217-S237 PolarHBondContact O-OG 3.44Å; D217-S237 VanDerWaalsContact O-OG 3.05Å; S220-S237 WeakPolarHBondContact O-CB 3.03Å; S220-S237 PolarHBondContact O-N 2.82Å; S220-S237 PolarHBondContact O-OG 3.35Å; S237-G276 VanDerWaalsContact O-CA 3.23Å; S237-G276 WeakPolarHBondContact O-CA 3.43Å; S237-F322 WeakPolarHBondContact O-CZ 3.45Å
238	S	72.3	Confident	89.1	Confident	44 Å²	44	21.2 Å²	21.2	31%	0.308	11%	0.106	S	C	.	.	S	Bend	trans	-127.7	-15.3	-170.8	83.4	0	0	0	0	115.8	A218	A218-S238 VanDerWaalsContact C-OG 3.28Å; A218-S238 VanDerWaalsContact CA-OG 3.24Å; A218-S238 WeakPolarHBondContact CA-OG 3.38Å; A218-S238 WeakPolarHBondContact CB-OG 3.42Å; A218-S238 PolarHBondContact O-OG 3.3Å
239	D	76.1	Confident	88.2	Confident	20 Å²	20	25 Å²	25	11%	0.107	12%	0.115	C	C	.	.	S	Bend	trans	-81.7	-11.6	174.9	76.1	-11.1	0	0	0	112.5	H193 G236 S241 K243	H193-D239 WeakPolarHBondContact CA-OD2 3.37Å; H193-D239 WeakPolarHBondContact CB-OD2 3.27Å; H193-D239 IonicContact CE1-OD1 2.72Å; H193-D239 IonicContact CE1-OD2 3.77Å; H193-D239 IonicContact CG-OD1 3.89Å; H193-D239 IonicContact CG-OD2 3.59Å; H193-D239 VanDerWaalsContact CG-OD2 3.32Å; H193-D239 IonicContact ND1-OD1 3.63Å; H193-D239 PolarHBondContact ND1-OD1 3.06Å; H193-D239 IonicContact ND1-OD2 3.17Å; H193-D239 PolarHBondContact ND1-OD2 3.49Å; G236-D239 WeakPolarHBondContact CA-OD1 3.26Å; D239-S241 PolarHBondContact O-N 2.49Å; D239-S241 PolarHBondContact OD1-N 3.37Å; D239-S241 PolarHBondContact OD1-OG 3.31Å; D239-S241 PolarHBondContact OD2-OG 3.24Å; D239-K243 IonicContact OD2-NZ 2.84Å; D239-K243 PolarHBondContact OD2-NZ 2.62Å
240	G	80.4	Confident	87.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.			trans	55	27.9	-178.1	0	0	0	0	0	113.8	Y267 S275 Y277	G240-Y267 VanDerWaalsContact O-CA 3.28Å; G240-Y267 WeakPolarHBondContact O-CA 3.38Å; G240-Y267 WeakPolarHBondContact O-CB 3.32Å; G240-Y267 PolarHBondContact O-N 2.95Å; G240-S275 WeakPolarHBondContact CA-O 3.5Å; G240-Y277 WeakPolarHBondContact O-CE2 3.32Å
241	S	88.3	Confident	86.2	Confident	8 Å²	8	24 Å²	24	6%	0.056	11%	0.109	C	C	.	.			trans	-118.7	145.1	179	72	0	0	0	0	111	H193 G236 D239 K243 F265	H193-S241 PolarHBondContact CE1-O 3.28Å; G236-S241 PolarHBondContact N-O 3.43Å; D239-S241 PolarHBondContact O-N 2.49Å; D239-S241 PolarHBondContact OD1-N 3.37Å; D239-S241 PolarHBondContact OD1-OG 3.31Å; D239-S241 PolarHBondContact OD2-OG 3.24Å; S241-K243 WeakPolarHBondContact OG-CE 3.4Å; S241-F265 WeakPolarHBondContact CA-O 3.31Å
242	I	93.8	Very high	84.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.9	163.9	-53.7	164.7	0	0	0	106.6	L233 S234 F265 Y277 L280 L289 A291 Y301	L233-I242 HydrophobicContact CB-CG2 4.26Å; L233-I242 HydrophobicContact CD2-CG2 4.08Å; S234-I242 CarbonylContact O-C 3.54Å; S234-I242 WeakPolarHBondContact O-CA 3.46Å; I242-F265 HydrophobicContact CB-CB 4.14Å; I242-F265 HydrophobicContact CB-CD2 4.12Å; I242-F265 HydrophobicContact CG2-CD2 4.21Å; I242-F265 PolarHBondContact N-O 2.88Å; I242-F265 PolarHBondContact O-N 3.06Å; I242-Y277 HydrophobicContact CD1-CD1 4.13Å; I242-Y277 HydrophobicContact CD1-CD2 4.22Å; I242-Y277 HydrophobicContact CD1-CE1 3.91Å; I242-Y277 HydrophobicContact CD1-CE2 4.02Å; I242-Y277 HydrophobicContact CD1-CG 4.27Å; I242-Y277 HydrophobicContact CG1-CD1 4.45Å; I242-Y277 HydrophobicContact CG1-CD2 3.67Å; I242-Y277 HydrophobicContact CG1-CE1 4.39Å; I242-Y277 HydrophobicContact CG1-CE2 3.62Å; I242-Y277 HydrophobicContact CG1-CG 4.1Å; I242-L280 HydrophobicContact CD1-CD2 3.72Å; I242-L280 HydrophobicContact CG1-CD2 4.12Å; I242-L280 HydrophobicContact CG2-CD1 4.21Å; I242-L280 HydrophobicContact CG2-CD2 4.39Å; I242-L289 HydrophobicContact CD1-CD2 4.13Å; I242-L289 HydrophobicContact CG2-CD2 4.19Å; I242-A291 HydrophobicContact CD1-CB 3.44Å; I242-A291 VanDerWaalsContact CD1-CB 3.44Å; I242-Y301 HydrophobicContact CD1-CE2 4.02Å
243	K	93.2	Very high	82.6	Confident	23 Å²	23	33.3 Å²	33.3	10%	0.1	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131	-177.5	-71.9	173.8	175.7	145.1	0	109.6	C192 L233 S234 D239 S241 W245 P261 I264	C192-K243 VanDerWaalsContact O-CD 3.27Å; C192-K243 WeakPolarHBondContact O-CD 3.32Å; C192-K243 PolarHBondContact O-NZ 2.73Å; L233-K243 CarbonylContact C-O 3.53Å; L233-K243 VanDerWaalsContact CA-O 3.3Å; L233-K243 WeakPolarHBondContact CA-O 3.27Å; S234-K243 PolarHBondContact N-O 3.16Å; S234-K243 PolarHBondContact O-N 3.23Å; D239-K243 IonicContact OD2-NZ 2.84Å; D239-K243 PolarHBondContact OD2-NZ 2.62Å; S241-K243 WeakPolarHBondContact OG-CE 3.4Å; K243-W245 HydrophobicContact CB-CZ2 3.8Å; K243-W245 HydrophobicContact CD-CH2 4.31Å; K243-W245 HydrophobicContact CD-CZ2 3.68Å; K243-W245 HydrophobicContact CG-CZ2 4.35Å; K243-W245 PolarHBondContact O-NE1 3.04Å; K243-P261 HydrophobicContact CB-CB 4.11Å; K243-P261 HydrophobicContact CD-CG 4.49Å; K243-P261 HydrophobicContact CG-CB 4.35Å; K243-I264 HydrophobicContact CG-CG1 4.35Å; K243-I264 HydrophobicContact CG-CG2 4.42Å
244	M	94	Very high	80.6	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.054	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	173.3	-161.3	170.9	88.4	0	0	109.6	L233 P261 K262 F263 F265	L233-M244 HydrophobicContact CD2-CB 3.62Å; L233-M244 HydrophobicContact CD2-CG 3.65Å; L233-M244 HydrophobicContact CD2-SD 4.19Å; L233-M244 HydrophobicContact CG-CG 4.42Å; M244-P261 CarbonylContact O-C 3.48Å; M244-P261 WeakPolarHBondContact O-CA 3.29Å; M244-P261 WeakPolarHBondContact O-CB 3.44Å; M244-K262 HydrophobicContact CE-CB 4.24Å; M244-K262 HydrophobicContact CE-CD 3.38Å; M244-K262 HydrophobicContact CE-CG 3.8Å; M244-K262 PolarHBondContact O-N 3.29Å; M244-F263 HydrophobicContact CB-CB 4.19Å; M244-F263 HydrophobicContact CE-CD2 3.23Å; M244-F263 HydrophobicContact CE-CE2 3.73Å; M244-F263 HydrophobicContact CE-CG 4.29Å; M244-F263 PolarHBondContact N-O 2.57Å; M244-F263 PolarHBondContact O-N 3.09Å; M244-F263 HydrophobicContact SD-CD2 4.18Å; M244-F265 HydrophobicContact CB-CE2 4.38Å
245	W	92.8	Very high	78.6	Confident	11 Å²	11	40.4 Å²	40.4	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.6	-176.9	-55.1	91.1	0	0	0	109.7	L189 C192 T231 F232 S234 K243 V250 P261	L189-W245 HydrophobicContact CD1-CD2 4.06Å; L189-W245 HydrophobicContact CD1-CE3 4.01Å; L189-W245 HydrophobicContact CD1-CG 4.29Å; C192-W245 HydrophobicContact CB-CH2 4.34Å; C192-W245 HydrophobicContact CB-CZ2 3.77Å; T231-W245 WeakPolarHBondContact CA-O 3.35Å; T231-W245 WeakPolarHBondContact CB-O 3.49Å; F232-W245 HydrophobicContact CD1-CB 4.31Å; F232-W245 HydrophobicContact CD2-CB 4.09Å; F232-W245 AromaticContact CD2-CD1 3.76Å; F232-W245 HydrophobicContact CD2-CG 4.24Å; F232-W245 HydrophobicContact CE1-CB 3.8Å; F232-W245 HydrophobicContact CE2-CB 3.57Å; F232-W245 AromaticContact CE2-CD1 3.3Å; F232-W245 AromaticContact CE2-CG 3.55Å; F232-W245 HydrophobicContact CE2-CG 3.55Å; F232-W245 HydrophobicContact CG-CB 4.44Å; F232-W245 HydrophobicContact CZ-CB 3.42Å; F232-W245 VanDerWaalsContact CZ-CB 3.42Å; F232-W245 AromaticContact CZ-CG 3.79Å; F232-W245 HydrophobicContact CZ-CG 3.79Å; F232-W245 PolarHBondContact N-O 3.17Å; F232-W245 PolarHBondContact O-N 2.96Å; S234-W245 PolarHBondContact OG-NE1 3.2Å; K243-W245 HydrophobicContact CB-CZ2 3.8Å; K243-W245 HydrophobicContact CD-CH2 4.31Å; K243-W245 HydrophobicContact CD-CZ2 3.68Å; K243-W245 HydrophobicContact CG-CZ2 4.35Å; K243-W245 PolarHBondContact O-NE1 3.04Å; W245-V250 HydrophobicContact CB-CG2 4.49Å; W245-V250 HydrophobicContact CE3-CG2 4.49Å; W245-P261 HydrophobicContact CD2-CB 4.34Å; W245-P261 HydrophobicContact CE3-CB 4.15Å; W245-P261 HydrophobicContact CH2-CB 4.22Å; W245-P261 HydrophobicContact CH2-CG 4.43Å; W245-P261 HydrophobicContact CZ2-CB 4.39Å; W245-P261 HydrophobicContact CZ3-CB 4.09Å; W245-P261 HydrophobicContact CZ3-CG 4.49Å
246	D	90.1	Very high	76.7	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.3	173.7	178.3	-12.6	0	0	0	108.1	N230 R248 R249 V250	N230-D246 CarbonylContact O-C 3.5Å; N230-D246 WeakPolarHBondContact O-CA 3.4Å; D246-R248 PolarHBondContact O-N 2.78Å; D246-R248 VanDerWaalsContact O-N 3.13Å; D246-R248 VanDerWaalsContact OD1-CB 3.26Å; D246-R248 WeakPolarHBondContact OD1-CB 3.33Å; D246-R248 WeakPolarHBondContact OD1-CG 3.32Å; D246-R248 PolarHBondContact OD1-N 3.27Å; D246-R249 HydrophobicContact CB-CB 4.33Å; D246-R249 HydrophobicContact CB-CG 4.11Å; D246-R249 WeakPolarHBondContact O-CA 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.36Å; D246-R249 PolarHBondContact O-N 2.71Å; D246-R249 IonicContact OD2-CZ 2.62Å; D246-R249 IonicContact OD2-NH1 2.72Å; D246-R249 PolarHBondContact OD2-NH1 3.41Å; D246-V250 VanDerWaalsContact O-CG2 3.22Å; D246-V250 WeakPolarHBondContact O-CG2 3.27Å; D246-V250 PolarHBondContact O-N 3.04Å
247	L	86	Confident	75.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-51.8	-35	-179.2	-73.3	170.6	0	0	0	112.4	M165 F226 D229 N230 F232 R249 V250 F251 F759	M165-L247 HydrophobicContact CE-CD2 4.45Å; M165-L247 HydrophobicContact CG-CD2 4.22Å; M165-L247 HydrophobicContact SD-CD2 4.07Å; F226-L247 HydrophobicContact CE1-CD1 3.76Å; F226-L247 HydrophobicContact CZ-CD1 4.49Å; D229-L247 WeakPolarHBondContact O-CD1 3.32Å; N230-L247 WeakPolarHBondContact O-CB 3.41Å; N230-L247 PolarHBondContact O-N 2.81Å; F232-L247 HydrophobicContact CD1-CD2 3.92Å; F232-L247 HydrophobicContact CD1-CG 3.95Å; F232-L247 HydrophobicContact CE1-CD2 3.45Å; F232-L247 VanDerWaalsContact CE1-CD2 3.45Å; F232-L247 HydrophobicContact CE1-CG 3.85Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.04Å; L247-V250 PolarHBondContact O-N 3.31Å; L247-F251 HydrophobicContact CD2-CD2 3.76Å; L247-F251 HydrophobicContact CD2-CE2 3.41Å; L247-F251 VanDerWaalsContact CD2-CE2 3.41Å; L247-F251 PolarHBondContact O-N 2.91Å; L247-F759 HydrophobicContact CB-CE1 4.02Å; L247-F759 HydrophobicContact CB-CZ 4.04Å; L247-F759 HydrophobicContact CD1-CE1 4.12Å; L247-F759 HydrophobicContact CD1-CZ 3.81Å; L247-F759 HydrophobicContact CG-CZ 4.49Å
248	R	84.1	Confident	74.8	Confident	139 Å²	139	66.3 Å²	66.3	53%	0.525	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-33	178.8	-54.2	173.6	-175.5	178.3	3.5	111.6	N230 D246 C252 F759	N230-R248 HydrophobicContact CB-CG 4.48Å; N230-R248 PolarHBondContact ND2-NH2 3.15Å; N230-R248 PolarHBondContact OD1-NE 3.11Å; N230-R248 PolarHBondContact OD1-NH2 3.09Å; D246-R248 PolarHBondContact O-N 2.78Å; D246-R248 VanDerWaalsContact O-N 3.13Å; D246-R248 VanDerWaalsContact OD1-CB 3.26Å; D246-R248 WeakPolarHBondContact OD1-CB 3.33Å; D246-R248 WeakPolarHBondContact OD1-CG 3.32Å; D246-R248 PolarHBondContact OD1-N 3.27Å; R248-C252 WeakPolarHBondContact O-CB 3.39Å; R248-F759 HydrophobicContact CG-CD1 4.11Å
249	R	76.2	Confident	74.9	Confident	145 Å²	145	65.9 Å²	65.9	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-80.1	-30.5	175.7	-66.3	-178.2	167.2	101.8	-8.4	112.3	D246 L247	D246-R249 HydrophobicContact CB-CB 4.33Å; D246-R249 HydrophobicContact CB-CG 4.11Å; D246-R249 WeakPolarHBondContact O-CA 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.36Å; D246-R249 PolarHBondContact O-N 2.71Å; D246-R249 IonicContact OD2-CZ 2.62Å; D246-R249 IonicContact OD2-NH1 2.72Å; D246-R249 PolarHBondContact OD2-NH1 3.41Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.04Å
250	V	71.6	Confident	75.2	Confident	23 Å²	23	73.1 Å²	73.1	14%	0.139	37%	0.373	C	S	.	.	H	α-helix	trans	-78.8	-45.8	-174	165.9	0	0	0	0	111.8	L189 W245 D246 L247 A259	L189-V250 HydrophobicContact CD1-CB 4.44Å; L189-V250 HydrophobicContact CD1-CG1 3.76Å; L189-V250 HydrophobicContact CD1-CG2 3.85Å; L189-V250 HydrophobicContact CD2-CB 4.1Å; L189-V250 HydrophobicContact CD2-CG1 3.26Å; L189-V250 HydrophobicContact CD2-CG2 3.89Å; L189-V250 HydrophobicContact CG-CB 4.44Å; L189-V250 HydrophobicContact CG-CG1 3.38Å; L189-V250 HydrophobicContact CG-CG2 4.27Å; W245-V250 HydrophobicContact CB-CG2 4.49Å; W245-V250 HydrophobicContact CE3-CG2 4.49Å; D246-V250 VanDerWaalsContact O-CG2 3.22Å; D246-V250 WeakPolarHBondContact O-CG2 3.27Å; D246-V250 PolarHBondContact O-N 3.04Å; L247-V250 PolarHBondContact O-N 3.31Å; V250-A259 HydrophobicContact CG2-CB 4.05Å
251	F	69.8	Low	75.5	Confident	36 Å²	36	74.7 Å²	74.7	16%	0.158	38%	0.383	C	S	.	.	S	Bend	trans	-105.4	14.3	-173.7	-60.8	-56.6	0	0	0	114.2	M165 G187 L247 V253	M165-F251 HydrophobicContact CB-CE2 4.3Å; M165-F251 HydrophobicContact CB-CZ 4.21Å; M165-F251 HydrophobicContact CG-CE2 3.41Å; M165-F251 VanDerWaalsContact CG-CE2 3.41Å; M165-F251 HydrophobicContact CG-CZ 3.55Å; G187-F251 VanDerWaalsContact C-CE1 3.48Å; L247-F251 HydrophobicContact CD2-CD2 3.76Å; L247-F251 HydrophobicContact CD2-CE2 3.41Å; L247-F251 VanDerWaalsContact CD2-CE2 3.41Å; L247-F251 PolarHBondContact O-N 2.91Å; F251-V253 PolarHBondContact O-N 3.4Å; F251-V253 VanDerWaalsContact O-N 3.07Å
252	C	62.5	Low	75.3	Confident	86 Å²	86	78.4 Å²	78.4	58%	0.581	40%	0.399	S	S	*	.			trans	-65.8	111.1	174.2	-160.9	0	0	0	0	110.5	R248 G254	R248-C252 WeakPolarHBondContact O-CB 3.39Å; C252-G254 PolarHBondContact O-N 2.94Å
253	V	50.2	Low	75.1	Confident	119 Å²	119	82.1 Å²	82.1	72%	0.721	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	107.4	178.3	-178.6	0	0	0	0	109.4	F251 T756	F251-V253 PolarHBondContact O-N 3.4Å; F251-V253 VanDerWaalsContact O-N 3.07Å; V253-T756 HydrophobicContact CG2-CG2 3.92Å
254	G	52.3	Low	74.9	Confident	75 Å²	75	84.8 Å²	84.8	77%	0.773	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.9	-14.2	171	0	0	0	0	0	116.4	C252 K256	C252-G254 PolarHBondContact O-N 2.94Å; G254-K256 PolarHBondContact O-N 3.16Å
255	S	53.6	Low	74.8	Confident	73 Å²	73	84.5 Å²	84.5	51%	0.51	43%	0.428	S	S	.	.			trans	-81.7	107.7	175.9	-175.7	0	0	0	0	110.9	K257	S255-K257 PolarHBondContact O-N 3.23Å; S255-K257 WeakPolarHBondContact OG-CB 3.3Å; S255-K257 PolarHBondContact OG-N 2.88Å
256	K	54.9	Low	74.5	Confident	218 Å²	218	87 Å²	87	95%	0.948	45%	0.445	S	S	*	.			trans	-68.3	-5	167.2	-67.4	-177.6	-179.2	175.2	0	113.1	G254	G254-K256 PolarHBondContact O-N 3.16Å
257	K	62.5	Low	74.3	Confident	176 Å²	176	87.9 Å²	87.9	77%	0.765	45%	0.447	S	S	*	.	S	Bend	trans	-80.6	135.7	-179.6	-61.7	-178.6	178.7	177	0	108.9	S255 A259	S255-K257 PolarHBondContact O-N 3.23Å; S255-K257 WeakPolarHBondContact OG-CB 3.3Å; S255-K257 PolarHBondContact OG-N 2.88Å; K257-A259 PolarHBondContact O-N 2.54Å
258	Q	65.7	Low	74	Confident	166 Å²	166	90.4 Å²	90.4	78%	0.776	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-52.4	133.9	169.5	-68.4	179.6	6.6	0	0	109.4	K260	Q258-K260 PolarHBondContact O-N 2.99Å
259	A	75.1	Confident	73.7	Confident	34 Å²	34	84.8 Å²	84.8	28%	0.281	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.5	128.3	177.8	0	0	0	0	0	109.3	L189 V250 K257	L189-A259 HydrophobicContact CD2-CB 3.52Å; V250-A259 HydrophobicContact CG2-CB 4.05Å; K257-A259 PolarHBondContact O-N 2.54Å
260	K	81.7	Confident	73.4	Confident	172 Å²	172	84.8 Å²	84.8	75%	0.748	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-97.9	139.4	174.8	-67.9	-173.3	177.4	-172.8	0	109.1	Q258	Q258-K260 PolarHBondContact O-N 2.99Å
261	P	86.5	Confident	73.3	Confident	34 Å²	34	85.2 Å²	85.2	22%	0.221	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-61.5	146.9	172.2	28	-34.7	0	0	0	110	K243 M244 W245 I264	K243-P261 HydrophobicContact CB-CB 4.11Å; K243-P261 HydrophobicContact CD-CG 4.49Å; K243-P261 HydrophobicContact CG-CB 4.35Å; M244-P261 CarbonylContact O-C 3.48Å; M244-P261 WeakPolarHBondContact O-CA 3.29Å; M244-P261 WeakPolarHBondContact O-CB 3.44Å; W245-P261 HydrophobicContact CD2-CB 4.34Å; W245-P261 HydrophobicContact CE3-CB 4.15Å; W245-P261 HydrophobicContact CH2-CB 4.22Å; W245-P261 HydrophobicContact CH2-CG 4.43Å; W245-P261 HydrophobicContact CZ2-CB 4.39Å; W245-P261 HydrophobicContact CZ3-CB 4.09Å; W245-P261 HydrophobicContact CZ3-CG 4.49Å; P261-I264 HydrophobicContact CB-CG1 4.14Å; P261-I264 HydrophobicContact CG-CD1 3.7Å; P261-I264 HydrophobicContact CG-CG1 3.57Å
262	K	85.7	Confident	73.2	Confident	86 Å²	86	90.9 Å²	90.9	37%	0.374	50%	0.498	S	S	.	.	S	Bend	trans	-68.4	-46.7	174.6	176	175.3	162.5	-168.1	0	110.7	M244	M244-K262 HydrophobicContact CE-CB 4.24Å; M244-K262 HydrophobicContact CE-CD 3.38Å; M244-K262 HydrophobicContact CE-CG 3.8Å; M244-K262 PolarHBondContact O-N 3.29Å
263	F	87.8	Confident	73.6	Confident	77 Å²	77	96.6 Å²	96.6	34%	0.338	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	172.7	-66.2	-57.6	0	0	0	110.3	M244 F265	M244-F263 HydrophobicContact CB-CB 4.19Å; M244-F263 HydrophobicContact CE-CD2 3.23Å; M244-F263 HydrophobicContact CE-CE2 3.73Å; M244-F263 HydrophobicContact CE-CG 4.29Å; M244-F263 PolarHBondContact N-O 2.57Å; M244-F263 PolarHBondContact O-N 3.09Å; M244-F263 HydrophobicContact SD-CD2 4.18Å; F263-F265 HydrophobicContact CB-CE2 4.42Å; F263-F265 HydrophobicContact CB-CZ 4.46Å
264	I	90.5	Very high	74.7	Confident	79 Å²	79	94.4 Å²	94.4	41%	0.405	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.3	173.3	-55.4	178.3	0	0	0	106.2	K243 P261 P266 T308	K243-I264 HydrophobicContact CG-CG1 4.35Å; K243-I264 HydrophobicContact CG-CG2 4.42Å; P261-I264 HydrophobicContact CB-CG1 4.14Å; P261-I264 HydrophobicContact CG-CD1 3.7Å; P261-I264 HydrophobicContact CG-CG1 3.57Å; I264-P266 WeakPolarHBondContact O-CD 3.38Å; I264-T308 WeakPolarHBondContact O-CG2 2.95Å
265	F	90.4	Very high	75.9	Confident	6 Å²	6	91.3 Å²	91.3	3%	0.026	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	104.8	169.9	-54.7	-85.7	0	0	0	107	L233 S241 I242 M244 F263 Y301 L303	L233-F265 HydrophobicContact CD2-CE2 3.95Å; S241-F265 WeakPolarHBondContact CA-O 3.31Å; I242-F265 HydrophobicContact CB-CB 4.14Å; I242-F265 HydrophobicContact CB-CD2 4.12Å; I242-F265 HydrophobicContact CG2-CD2 4.21Å; I242-F265 PolarHBondContact N-O 2.88Å; I242-F265 PolarHBondContact O-N 3.06Å; M244-F265 HydrophobicContact CB-CE2 4.38Å; F263-F265 HydrophobicContact CB-CE2 4.42Å; F263-F265 HydrophobicContact CB-CZ 4.46Å; F265-Y301 HydrophobicContact CB-CE1 4.3Å; F265-Y301 AromaticContact CD1-CD1 3.84Å; F265-Y301 HydrophobicContact CD1-CD1 3.84Å; F265-Y301 HydrophobicContact CD1-CE1 4.28Å; F265-Y301 HydrophobicContact CD1-CG 4.26Å; F265-Y301 HydrophobicContact CE1-CD1 4.49Å; F265-L303 HydrophobicContact CE2-CD2 4.33Å; F265-L303 HydrophobicContact CZ-CD2 3.85Å
266	P	87.2	Confident	77.6	Confident	63 Å²	63	87.9 Å²	87.9	41%	0.409	44%	0.437	S	S	.	.			trans	-72	151.2	179.9	31.2	-33.8	0	0	0	110.5	I264 S268	I264-P266 WeakPolarHBondContact O-CD 3.38Å; P266-S268 PolarHBondContact O-N 3.05Å; P266-S268 PolarHBondContact O-OG 2.98Å
267	Y	85.2	Confident	79.4	Confident	37 Å²	37	77.5 Å²	77.5	15%	0.145	39%	0.392	C	S	.	.			trans	-50.8	126.6	169.7	-177.4	-124.5	0	0	0	109.9	G240 G269 S271 D295 Y299	G240-Y267 VanDerWaalsContact O-CA 3.28Å; G240-Y267 WeakPolarHBondContact O-CA 3.38Å; G240-Y267 WeakPolarHBondContact O-CB 3.32Å; G240-Y267 PolarHBondContact O-N 2.95Å; Y267-G269 WeakPolarHBondContact CD1-O 3.26Å; Y267-G269 VanDerWaalsContact CE1-CA 3.49Å; Y267-G269 WeakPolarHBondContact CE1-O 3.34Å; Y267-G269 WeakPolarHBondContact OH-CA 3.34Å; Y267-S271 WeakPolarHBondContact CE1-O 3.38Å; Y267-S271 PolarHBondContact OH-N 2.9Å; Y267-D295 VanDerWaalsContact CE2-OD2 3.22Å; Y267-D295 WeakPolarHBondContact CE2-OD2 3.44Å; Y267-D295 WeakPolarHBondContact OH-CB 3.27Å; Y267-D295 PolarHBondContact OH-OD2 2.85Å; Y267-Y299 HydrophobicContact CE2-CE2 4.49Å
268	S	80.4	Confident	80.9	Confident	54 Å²	54	69.3 Å²	69.3	38%	0.378	36%	0.357	S	S	.	.			trans	-104.2	-1.2	-176.8	-60.1	0	0	0	0	113.3	P266 P310	P266-S268 PolarHBondContact O-N 3.05Å; P266-S268 PolarHBondContact O-OG 2.98Å; S268-P310 WeakPolarHBondContact OG-CD 3.27Å
269	G	77.2	Confident	82.3	Confident	21 Å²	21	62.2 Å²	62.2	22%	0.216	33%	0.325	C	S	.	.	S	Bend	trans	-91.2	-178.1	179	0	0	0	0	0	113.8	Y267 Y299	Y267-G269 WeakPolarHBondContact CD1-O 3.26Å; Y267-G269 VanDerWaalsContact CE1-CA 3.49Å; Y267-G269 WeakPolarHBondContact CE1-O 3.34Å; Y267-G269 WeakPolarHBondContact OH-CA 3.34Å; G269-Y299 WeakPolarHBondContact CA-OH 3.5Å; G269-Y299 PolarHBondContact N-OH 2.68Å
270	T	70.9	Confident	83.4	Confident	145 Å²	145	61 Å²	61	89%	0.89	31%	0.314	S	S	*	.	S	Bend	trans	-98.3	-20.7	-174.1	56.6	0	0	0	0	113.4	Q272	T270-Q272 PolarHBondContact O-N 3.21Å
271	S	70.4	Confident	84.1	Confident	33 Å²	33	53.3 Å²	53.3	23%	0.231	28%	0.282	C	S	.	.			trans	-90.9	104.1	-172.8	-173.8	0	0	0	0	111.9	Y267 K273 Q274 S275	Y267-S271 WeakPolarHBondContact CE1-O 3.38Å; Y267-S271 PolarHBondContact OH-N 2.9Å; S271-K273 PolarHBondContact O-N 2.78Å; S271-Q274 PolarHBondContact O-N 3.36Å; S271-Q274 PolarHBondContact OG-OE1 3.39Å; S271-S275 PolarHBondContact O-N 2.78Å
272	Q	67.4	Low	84.6	Confident	155 Å²	155	52.6 Å²	52.6	72%	0.724	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17	174.6	-66.4	-64.6	-25.6	0	0	113.7	T270	T270-Q272 PolarHBondContact O-N 3.21Å
273	K	69.3	Low	85	Confident	205 Å²	205	49.2 Å²	49.2	89%	0.891	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.6	-179.4	-69.7	-176.9	-179.1	174.2	0	113.4	S271	S271-K273 PolarHBondContact O-N 2.78Å
274	Q	73.2	Confident	85.2	Confident	73 Å²	73	49 Å²	49	34%	0.341	27%	0.271	S	S	.	.	S	Bend	trans	-129.4	27.7	-172.4	-77.8	173.4	-45.2	0	0	111.6	S271 G276 L294 D295	S271-Q274 PolarHBondContact O-N 3.36Å; S271-Q274 PolarHBondContact OG-OE1 3.39Å; Q274-G276 PolarHBondContact O-N 2.94Å; Q274-L294 HydrophobicContact CB-CB 4.11Å; Q274-L294 WeakPolarHBondContact CB-O 3.24Å; Q274-L294 HydrophobicContact CG-CB 4.47Å; Q274-L294 PolarHBondContact NE2-O 2.79Å; Q274-L294 CarbonylContact O-C 3.51Å; Q274-L294 WeakPolarHBondContact O-CB 3.44Å; Q274-D295 HydrophobicContact CB-CB 4.36Å; Q274-D295 PolarHBondContact O-N 2.8Å
275	S	79.2	Confident	85.3	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.07	28%	0.284	C	S	.	.			trans	-76.7	-3.3	-174.6	59.2	0	0	0	0	114.8	G240 S271	G240-S275 WeakPolarHBondContact CA-O 3.5Å; S271-S275 PolarHBondContact O-N 2.78Å
276	G	88	Confident	85.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.01	30%	0.3	C	S	.	.			trans	-76.5	143	-175.8	0	0	0	0	0	113.2	S237 Q274 C293 L294	S237-G276 VanDerWaalsContact O-CA 3.23Å; S237-G276 WeakPolarHBondContact O-CA 3.43Å; Q274-G276 PolarHBondContact O-N 2.94Å; G276-C293 WeakPolarHBondContact O-CA 3.34Å; G276-C293 PolarHBondContact O-SG 2.83Å; G276-L294 PolarHBondContact O-N 3.06Å
277	Y	93	Very high	85.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.2	173.3	-61.9	-84.5	0	0	0	110.5	T222 G240 I242 A291 N292 C293 Y299 Y301	T222-Y277 VanDerWaalsContact CB-O 3.31Å; T222-Y277 WeakPolarHBondContact CB-O 3.26Å; T222-Y277 PolarHBondContact OG1-O 2.89Å; G240-Y277 WeakPolarHBondContact O-CE2 3.32Å; I242-Y277 HydrophobicContact CD1-CD1 4.13Å; I242-Y277 HydrophobicContact CD1-CD2 4.22Å; I242-Y277 HydrophobicContact CD1-CE1 3.91Å; I242-Y277 HydrophobicContact CD1-CE2 4.02Å; I242-Y277 HydrophobicContact CD1-CG 4.27Å; I242-Y277 HydrophobicContact CG1-CD1 4.45Å; I242-Y277 HydrophobicContact CG1-CD2 3.67Å; I242-Y277 HydrophobicContact CG1-CE1 4.39Å; I242-Y277 HydrophobicContact CG1-CE2 3.62Å; I242-Y277 HydrophobicContact CG1-CG 4.1Å; Y277-A291 HydrophobicContact CD1-CB 3.65Å; Y277-A291 HydrophobicContact CE1-CB 3.82Å; Y277-N292 CarbonylContact C-O 3.46Å; Y277-N292 VanDerWaalsContact CA-O 3.22Å; Y277-N292 WeakPolarHBondContact CA-O 3.08Å; Y277-C293 HydrophobicContact CD1-CB 3.77Å; Y277-C293 HydrophobicContact CE1-CB 3.92Å; Y277-Y299 AromaticContact CE1-CD2 3.93Å; Y277-Y299 HydrophobicContact CE1-CD2 3.93Å; Y277-Y301 PolarHBondContact OH-OH 3.03Å
278	S	93.5	Very high	86.3	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-41.8	-179.8	58.6	0	0	0	0	112.5	N292 V324	S278-N292 PolarHBondContact N-O 3.33Å; S278-N292 WeakPolarHBondContact OG-CB 3.42Å; S278-N292 PolarHBondContact OG-ND2 3.19Å; S278-N292 VanDerWaalsContact OG-ND2 3.09Å; S278-N292 PolarHBondContact OG-O 2.72Å; S278-V324 VanDerWaalsContact CB-O 3.24Å; S278-V324 WeakPolarHBondContact CB-O 3.23Å; S278-V324 PolarHBondContact OG-O 2.85Å
279	D	96.1	Very high	87.1	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159	-177.3	-160.5	13.4	0	0	0	112.2	N292 K325 L326 R370	D279-N292 PolarHBondContact O-N 2.76Å; D279-N292 VanDerWaalsContact O-N 3.09Å; D279-K325 HydrophobicContact CB-CB 4.18Å; D279-K325 HydrophobicContact CB-CG 4.1Å; D279-K325 WeakPolarHBondContact OD2-CB 3.42Å; D279-K325 WeakPolarHBondContact OD2-CG 3.44Å; D279-L326 HydrophobicContact CB-CD2 4.11Å; D279-L326 WeakPolarHBondContact O-CD2 3.4Å; D279-L326 PolarHBondContact OD2-N 3.49Å; D279-L326 VanDerWaalsContact OD2-N 3.17Å; D279-R370 IonicContact OD2-NH1 3.41Å; D279-R370 IonicContact OD2-NH2 3.47Å; D279-R370 PolarHBondContact OD2-NH2 2.86Å
280	L	97.3	Very high	88.1	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.2	179	-62.5	173.2	0	0	0	109.7	S223 L225 L233 A235 I242 L289 F290 A291	S223-L280 WeakPolarHBondContact OG-CD1 3.34Å; S223-L280 VanDerWaalsContact OG-CG 3.24Å; S223-L280 WeakPolarHBondContact OG-CG 3.33Å; L225-L280 HydrophobicContact CB-CB 4.42Å; L225-L280 HydrophobicContact CD2-CB 4.08Å; L233-L280 HydrophobicContact CB-CD1 4.2Å; A235-L280 HydrophobicContact CB-CD1 3.85Å; A235-L280 HydrophobicContact CB-CD2 4.4Å; A235-L280 HydrophobicContact CB-CG 4.13Å; I242-L280 HydrophobicContact CD1-CD2 3.72Å; I242-L280 HydrophobicContact CG1-CD2 4.12Å; I242-L280 HydrophobicContact CG2-CD1 4.21Å; I242-L280 HydrophobicContact CG2-CD2 4.39Å; L280-L289 HydrophobicContact CB-CD1 4.23Å; L280-L289 HydrophobicContact CD2-CD1 4.16Å; L280-F290 WeakPolarHBondContact CA-O 3.2Å; L280-A291 HydrophobicContact CD2-CB 3.48Å; L280-A291 VanDerWaalsContact CD2-CB 3.48Å
281	A	97.4	Very high	89.3	Confident	10 Å²	10	46.8 Å²	46.8	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.1	170.2	0	0	0	0	0	110.8	L289 F290 L326	A281-L289 WeakPolarHBondContact O-CD1 3.29Å; A281-F290 PolarHBondContact N-O 2.66Å; A281-F290 PolarHBondContact O-N 3.04Å; A281-L326 HydrophobicContact CB-CD1 3.56Å; A281-L326 HydrophobicContact CB-CG 4.25Å
282	V	96.7	Very high	90.6	Very high	19 Å²	19	45.2 Å²	45.2	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.4	171.4	-73.2	0	0	0	0	109.5	L225 R286 R288 L289 L303	L225-V282 HydrophobicContact CD1-CG2 4.38Å; L225-V282 HydrophobicContact CD2-CB 4.15Å; L225-V282 HydrophobicContact CD2-CG1 3.59Å; L225-V282 HydrophobicContact CD2-CG2 3.95Å; L225-V282 HydrophobicContact CG-CG1 4.45Å; L225-V282 HydrophobicContact CG-CG2 4.32Å; V282-R286 HydrophobicContact CG2-CG 4.07Å; V282-R288 VanDerWaalsContact CA-O 3.27Å; V282-R288 WeakPolarHBondContact CA-O 3.28Å; V282-L289 HydrophobicContact CG1-CB 4.5Å; V282-L289 HydrophobicContact CG1-CD1 4.09Å; V282-L303 HydrophobicContact CG1-CD1 4.1Å
283	N	94.8	Very high	91.8	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.08	18%	0.183	C	C	.	.			trans	-67.5	169.1	172.6	74	-36.7	0	0	0	111.9	H285 R286 T287 R288 F290 I328 D332	N283-H285 PolarHBondContact O-N 2.83Å; N283-R286 WeakPolarHBondContact O-CA 3.27Å; N283-R286 PolarHBondContact O-N 3.4Å; N283-R286 WeakPolarHBondContact OD1-CA 3.42Å; N283-R286 PolarHBondContact OD1-N 2.96Å; N283-T287 PolarHBondContact ND2-OG1 2.88Å; N283-T287 PolarHBondContact OD1-N 3.47Å; N283-R288 HydrophobicContact CB-CB 4.25Å; N283-R288 PolarHBondContact N-O 2.83Å; N283-R288 VanDerWaalsContact N-O 3.12Å; N283-R288 PolarHBondContact OD1-N 3.48Å; N283-R288 PolarHBondContact OD1-O 3.07Å; N283-F290 HydrophobicContact CB-CE2 4.32Å; N283-I328 HydrophobicContact CB-CD1 4.02Å; N283-D332 HydrophobicContact CB-CB 4.34Å
284	S	92.1	Very high	92.9	Very high	73 Å²	73	29 Å²	29	51%	0.51	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.5	-176.3	-57.9	0	0	0	0	112.9	R286 D332	S284-R286 VanDerWaalsContact C-N 3.33Å; S284-D332 WeakPolarHBondContact CB-OD1 3.29Å; S284-D332 VanDerWaalsContact CB-OD2 3.3Å; S284-D332 WeakPolarHBondContact CB-OD2 3.42Å; S284-D332 PolarHBondContact N-OD1 3.4Å; S284-D332 PolarHBondContact N-OD2 3.34Å; S284-D332 PolarHBondContact OG-OD1 3.18Å; S284-D332 PolarHBondContact OG-OD2 2.87Å
285	H	91.7	Very high	93.8	Very high	146 Å²	146	26.6 Å²	26.6	68%	0.676	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.8	176.1	-61.6	89	0	0	0	114.2	N283 T287 D332	N283-H285 PolarHBondContact O-N 2.83Å; H285-T287 HydrophobicContact CB-CG2 4.12Å; H285-T287 PolarHBondContact O-N 2.76Å; H285-D332 IonicContact ND1-OD2 3.8Å
286	R	94.7	Very high	94.4	Very high	94 Å²	94	28.4 Å²	28.4	36%	0.355	14%	0.144	S	C	.	.	S	Bend	trans	58.2	28.3	179.6	-61.3	154.7	167.6	-66.8	-7.3	113.8	F226 V227 V282 N283 S284	F226-R286 PolarHBondContact O-NH1 3.4Å; V227-R286 HydrophobicContact CG1-CB 4.37Å; V227-R286 WeakPolarHBondContact O-CD 3.39Å; V227-R286 PolarHBondContact O-NH1 3.24Å; V282-R286 HydrophobicContact CG2-CG 4.07Å; N283-R286 WeakPolarHBondContact O-CA 3.27Å; N283-R286 PolarHBondContact O-N 3.4Å; N283-R286 WeakPolarHBondContact OD1-CA 3.42Å; N283-R286 PolarHBondContact OD1-N 2.96Å; S284-R286 VanDerWaalsContact C-N 3.33Å
287	T	94.4	Very high	94.7	Very high	44 Å²	44	29.2 Å²	29.2	27%	0.27	15%	0.149	S	C	.	.			trans	-101.3	-18	179.6	55.7	0	0	0	0	113.4	N283 H285 L303 T304	N283-T287 PolarHBondContact ND2-OG1 2.88Å; N283-T287 PolarHBondContact OD1-N 3.47Å; H285-T287 HydrophobicContact CB-CG2 4.12Å; H285-T287 PolarHBondContact O-N 2.76Å; T287-L303 PolarHBondContact O-N 3.47Å; T287-T304 HydrophobicContact CG2-CG2 3.69Å
288	R	95.5	Very high	94.9	Very high	71 Å²	71	29.2 Å²	29.2	27%	0.268	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.3	-179.9	-64.2	-69.7	-172.5	-94.7	5.7	109.7	V282 N283 F290 E300 Y301 D302	V282-R288 VanDerWaalsContact CA-O 3.27Å; V282-R288 WeakPolarHBondContact CA-O 3.28Å; N283-R288 HydrophobicContact CB-CB 4.25Å; N283-R288 PolarHBondContact N-O 2.83Å; N283-R288 VanDerWaalsContact N-O 3.12Å; N283-R288 PolarHBondContact OD1-N 3.48Å; N283-R288 PolarHBondContact OD1-O 3.07Å; R288-F290 HydrophobicContact CB-CE2 3.99Å; R288-F290 HydrophobicContact CB-CZ 4.27Å; R288-E300 IonicContact NE-OE1 3.33Å; R288-Y301 WeakPolarHBondContact CA-O 3.43Å; R288-D302 IonicContact CZ-OD1 3.04Å; R288-D302 IonicContact CZ-OD2 2.86Å; R288-D302 IonicContact NH1-OD1 3.97Å; R288-D302 PolarHBondContact NH1-OD1 3.36Å; R288-D302 IonicContact NH1-OD2 3.84Å; R288-D302 PolarHBondContact NH1-OD2 2.78Å; R288-D302 IonicContact NH2-OD2 2.83Å; R288-D302 PolarHBondContact NH2-OD2 2.96Å
289	L	97	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	174.7	170.2	67.9	0	0	0	109.3	L225 L233 I242 L280 A281 V282 E300 Y301 L303	L225-L289 HydrophobicContact CD2-CD1 4.37Å; L233-L289 HydrophobicContact CD1-CD1 3.63Å; L233-L289 HydrophobicContact CD1-CD2 3.75Å; L233-L289 HydrophobicContact CD1-CG 4.17Å; I242-L289 HydrophobicContact CD1-CD2 4.13Å; I242-L289 HydrophobicContact CG2-CD2 4.19Å; L280-L289 HydrophobicContact CB-CD1 4.23Å; L280-L289 HydrophobicContact CD2-CD1 4.16Å; A281-L289 WeakPolarHBondContact O-CD1 3.29Å; V282-L289 HydrophobicContact CG1-CB 4.5Å; V282-L289 HydrophobicContact CG1-CD1 4.09Å; L289-E300 CarbonylContact O-C 3.51Å; L289-E300 VanDerWaalsContact O-CA 3.28Å; L289-E300 WeakPolarHBondContact O-CA 3.22Å; L289-Y301 HydrophobicContact CD2-CD2 4.11Å; L289-Y301 HydrophobicContact CG-CD2 4.44Å; L289-Y301 PolarHBondContact N-O 3.01Å; L289-Y301 PolarHBondContact O-N 3Å; L289-L303 HydrophobicContact CB-CD1 4.14Å; L289-L303 HydrophobicContact CB-CD2 4.03Å; L289-L303 HydrophobicContact CB-CG 4.05Å; L289-L303 HydrophobicContact CD2-CD2 4.37Å
290	F	97.9	Very high	95	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.8	171.7	-58.5	-87.7	0	0	0	108.8	L280 A281 N283 R288 V298 Y299 E300 Y314 L326 I328 I335 V349	L280-F290 WeakPolarHBondContact CA-O 3.2Å; A281-F290 PolarHBondContact N-O 2.66Å; A281-F290 PolarHBondContact O-N 3.04Å; N283-F290 HydrophobicContact CB-CE2 4.32Å; R288-F290 HydrophobicContact CB-CE2 3.99Å; R288-F290 HydrophobicContact CB-CZ 4.27Å; F290-V298 HydrophobicContact CB-CG1 4.14Å; F290-Y299 WeakPolarHBondContact CA-O 3.39Å; F290-E300 HydrophobicContact CD1-CB 4.21Å; F290-E300 HydrophobicContact CD1-CG 4.19Å; F290-E300 HydrophobicContact CE1-CB 4.14Å; F290-E300 HydrophobicContact CE1-CG 3.74Å; F290-E300 HydrophobicContact CZ-CG 4.22Å; F290-Y314 HydrophobicContact CD1-CE2 4.21Å; F290-Y314 HydrophobicContact CE1-CE2 4.05Å; F290-L326 HydrophobicContact CB-CD1 3.79Å; F290-I328 HydrophobicContact CD2-CD1 3.99Å; F290-I328 HydrophobicContact CE2-CD1 3.39Å; F290-I328 HydrophobicContact CZ-CD1 3.95Å; F290-I335 HydrophobicContact CD1-CD1 4.47Å; F290-I335 HydrophobicContact CD1-CG2 3.8Å; F290-I335 HydrophobicContact CD2-CG2 4.44Å; F290-I335 HydrophobicContact CE1-CG2 3.86Å; F290-I335 HydrophobicContact CG-CG2 4.09Å; F290-I335 HydrophobicContact CZ-CG2 4.23Å; F290-V349 HydrophobicContact CE1-CG1 4.35Å; F290-V349 HydrophobicContact CE1-CG2 4.34Å; F290-V349 HydrophobicContact CZ-CG1 4.05Å; F290-V349 HydrophobicContact CZ-CG2 4.23Å
291	A	96.6	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.9	-176.7	0	0	0	0	0	110.6	I242 Y277 L280 V298 Y299 Y301	I242-A291 HydrophobicContact CD1-CB 3.44Å; I242-A291 VanDerWaalsContact CD1-CB 3.44Å; Y277-A291 HydrophobicContact CD1-CB 3.65Å; Y277-A291 HydrophobicContact CE1-CB 3.82Å; L280-A291 HydrophobicContact CD2-CB 3.48Å; L280-A291 VanDerWaalsContact CD2-CB 3.48Å; A291-V298 WeakPolarHBondContact O-CA 3.22Å; A291-Y299 PolarHBondContact N-O 3.45Å; A291-Y299 PolarHBondContact O-N 3.48Å; A291-Y301 HydrophobicContact CB-CE2 4.43Å
292	N	96	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131	175.2	-173.6	26.4	0	0	0	109.7	Y277 S278 D279 V298 H317 T319 V324 L326 C337	Y277-N292 CarbonylContact C-O 3.46Å; Y277-N292 VanDerWaalsContact CA-O 3.22Å; Y277-N292 WeakPolarHBondContact CA-O 3.08Å; S278-N292 PolarHBondContact N-O 3.33Å; S278-N292 WeakPolarHBondContact OG-CB 3.42Å; S278-N292 PolarHBondContact OG-ND2 3.19Å; S278-N292 VanDerWaalsContact OG-ND2 3.09Å; S278-N292 PolarHBondContact OG-O 2.72Å; D279-N292 PolarHBondContact O-N 2.76Å; D279-N292 VanDerWaalsContact O-N 3.09Å; N292-V298 HydrophobicContact CB-CG2 4.34Å; N292-H317 PolarHBondContact OD1-NE2 2.9Å; N292-T319 PolarHBondContact OD1-OG1 3.37Å; N292-V324 PolarHBondContact ND2-O 2.8Å; N292-V324 VanDerWaalsContact ND2-O 3.11Å; N292-L326 HydrophobicContact CB-CB 4.43Å; N292-L326 HydrophobicContact CB-CD2 3.37Å; N292-L326 HydrophobicContact CB-CG 4.5Å; N292-L326 VanDerWaalsContact N-CD2 3.25Å; N292-C337 PolarHBondContact ND2-SG 3.1Å; N292-C337 VanDerWaalsContact ND2-SG 3.39Å
293	C	93.4	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.8	-176.4	-170.7	0	0	0	0	111.2	G276 Y277 D295 N296 V297 Y299	G276-C293 WeakPolarHBondContact O-CA 3.34Å; G276-C293 PolarHBondContact O-SG 2.83Å; Y277-C293 HydrophobicContact CD1-CB 3.77Å; Y277-C293 HydrophobicContact CE1-CB 3.92Å; C293-D295 WeakPolarHBondContact CB-OD1 3.35Å; C293-D295 PolarHBondContact O-N 2.92Å; C293-D295 VanDerWaalsContact O-N 3.09Å; C293-D295 PolarHBondContact SG-OD1 3.42Å; C293-D295 VanDerWaalsContact SG-OD1 3.33Å; C293-N296 PolarHBondContact O-N 2.95Å; C293-V297 WeakPolarHBondContact CB-O 3.48Å; C293-V297 PolarHBondContact N-O 2.62Å; C293-Y299 HydrophobicContact CB-CD2 4.04Å; C293-Y299 HydrophobicContact CB-CE2 3.82Å
294	L	92.2	Very high	94.4	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.099	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.4	177.9	-72.2	177.3	0	0	0	113.9	Q274 G276 T319 S321 F322	Q274-L294 HydrophobicContact CB-CB 4.11Å; Q274-L294 WeakPolarHBondContact CB-O 3.24Å; Q274-L294 HydrophobicContact CG-CB 4.47Å; Q274-L294 PolarHBondContact NE2-O 2.79Å; Q274-L294 CarbonylContact O-C 3.51Å; Q274-L294 WeakPolarHBondContact O-CB 3.44Å; G276-L294 PolarHBondContact O-N 3.06Å; L294-T319 HydrophobicContact CD2-CG2 3.84Å; L294-T319 WeakPolarHBondContact CD2-O 3.44Å; L294-S321 WeakPolarHBondContact CD2-O 3.11Å; L294-F322 HydrophobicContact CD1-CD1 3.94Å; L294-F322 HydrophobicContact CD1-CD2 4.19Å; L294-F322 HydrophobicContact CD1-CE1 3.38Å; L294-F322 HydrophobicContact CD1-CE2 3.66Å; L294-F322 HydrophobicContact CD1-CG 4.32Å; L294-F322 HydrophobicContact CD1-CZ 3.23Å; L294-F322 HydrophobicContact CG-CD1 4.31Å; L294-F322 HydrophobicContact CG-CE1 4.08Å; L294-F322 HydrophobicContact CG-CZ 4.38Å
295	D	91.3	Very high	94.3	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.123	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	13.4	172.6	67.4	-6.3	0	0	0	113	Y267 Q274 C293 V297 Y299	Y267-D295 VanDerWaalsContact CE2-OD2 3.22Å; Y267-D295 WeakPolarHBondContact CE2-OD2 3.44Å; Y267-D295 WeakPolarHBondContact OH-CB 3.27Å; Y267-D295 PolarHBondContact OH-OD2 2.85Å; Q274-D295 HydrophobicContact CB-CB 4.36Å; Q274-D295 PolarHBondContact O-N 2.8Å; C293-D295 WeakPolarHBondContact CB-OD1 3.35Å; C293-D295 PolarHBondContact O-N 2.92Å; C293-D295 VanDerWaalsContact O-N 3.09Å; C293-D295 PolarHBondContact SG-OD1 3.42Å; C293-D295 VanDerWaalsContact SG-OD1 3.33Å; D295-V297 VanDerWaalsContact OD1-CB 3.24Å; D295-V297 WeakPolarHBondContact OD1-CB 3.36Å; D295-V297 PolarHBondContact OD1-N 3.04Å; D295-Y299 PolarHBondContact OD2-OH 2.86Å
296	N	93.6	Very high	94	Very high	49 Å²	49	32.8 Å²	32.8	26%	0.262	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	32.7	179.1	-52.4	-33.5	0	0	0	113.3	C293 H317 V318 T319	C293-N296 PolarHBondContact O-N 2.95Å; N296-H317 WeakPolarHBondContact CB-O 3.29Å; N296-H317 PolarHBondContact O-CE1 2.96Å; N296-V318 WeakPolarHBondContact OD1-CA 3.39Å; N296-T319 PolarHBondContact OD1-N 2.8Å
297	V	93.7	Very high	93.7	Very high	17 Å²	17	30.5 Å²	30.5	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.1	-174.3	-177.8	0	0	0	0	111.2	C293 D295 Y299 V313 Y314 T315	C293-V297 WeakPolarHBondContact CB-O 3.48Å; C293-V297 PolarHBondContact N-O 2.62Å; D295-V297 VanDerWaalsContact OD1-CB 3.24Å; D295-V297 WeakPolarHBondContact OD1-CB 3.36Å; D295-V297 PolarHBondContact OD1-N 3.04Å; V297-Y299 HydrophobicContact CB-CD2 4.33Å; V297-Y299 HydrophobicContact CB-CE2 3.79Å; V297-Y299 HydrophobicContact CG1-CD1 4.17Å; V297-Y299 HydrophobicContact CG1-CD2 3.92Å; V297-Y299 HydrophobicContact CG1-CE1 3.93Å; V297-Y299 HydrophobicContact CG1-CE2 3.66Å; V297-Y299 HydrophobicContact CG1-CG 4.18Å; V297-V313 HydrophobicContact CG1-CB 4.47Å; V297-V313 HydrophobicContact CG1-CG1 3.22Å; V297-Y314 WeakPolarHBondContact CA-O 3.31Å; V297-T315 HydrophobicContact CG1-CG2 4.5Å; V297-T315 HydrophobicContact CG2-CG2 4.14Å
298	V	96	Very high	93.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.9	162.3	-176.8	0	0	0	0	108.8	F290 A291 N292 Y314 I335 C337	F290-V298 HydrophobicContact CB-CG1 4.14Å; A291-V298 WeakPolarHBondContact O-CA 3.22Å; N292-V298 HydrophobicContact CB-CG2 4.34Å; V298-Y314 HydrophobicContact CB-CD2 4.3Å; V298-Y314 HydrophobicContact CG1-CD2 4.37Å; V298-Y314 PolarHBondContact N-O 3.5Å; V298-Y314 PolarHBondContact O-N 3.31Å; V298-I335 HydrophobicContact CB-CD1 4.26Å; V298-I335 HydrophobicContact CG1-CD1 3.98Å; V298-C337 HydrophobicContact CG2-CB 4.39Å
299	Y	95.6	Very high	93.1	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.4	176.9	-67	-84.7	0	0	0	110.8	Y267 G269 Y277 F290 A291 C293 D295 V297 Y301 P310 V313	Y267-Y299 HydrophobicContact CE2-CE2 4.49Å; G269-Y299 WeakPolarHBondContact CA-OH 3.5Å; G269-Y299 PolarHBondContact N-OH 2.68Å; Y277-Y299 AromaticContact CE1-CD2 3.93Å; Y277-Y299 HydrophobicContact CE1-CD2 3.93Å; F290-Y299 WeakPolarHBondContact CA-O 3.39Å; A291-Y299 PolarHBondContact N-O 3.45Å; A291-Y299 PolarHBondContact O-N 3.48Å; C293-Y299 HydrophobicContact CB-CD2 4.04Å; C293-Y299 HydrophobicContact CB-CE2 3.82Å; D295-Y299 PolarHBondContact OD2-OH 2.86Å; V297-Y299 HydrophobicContact CB-CD2 4.33Å; V297-Y299 HydrophobicContact CB-CE2 3.79Å; V297-Y299 HydrophobicContact CG1-CD1 4.17Å; V297-Y299 HydrophobicContact CG1-CD2 3.92Å; V297-Y299 HydrophobicContact CG1-CE1 3.93Å; V297-Y299 HydrophobicContact CG1-CE2 3.66Å; V297-Y299 HydrophobicContact CG1-CG 4.18Å; Y299-Y301 VanDerWaalsContact CB-CE2 3.49Å; Y299-Y301 HydrophobicContact CG-CE2 4.44Å; Y299-P310 HydrophobicContact CD1-CB 3.91Å; Y299-P310 HydrophobicContact CD1-CG 3.99Å; Y299-P310 HydrophobicContact CE1-CG 4.49Å; Y299-V313 HydrophobicContact CD1-CG2 4.14Å; Y299-V313 HydrophobicContact CE1-CG2 4.34Å
300	E	96.2	Very high	92.9	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.4	172	-175.6	-176.4	147.4	0	0	110.4	R288 L289 F290 P310 V311 F312 Y314	R288-E300 IonicContact NE-OE1 3.33Å; L289-E300 CarbonylContact O-C 3.51Å; L289-E300 VanDerWaalsContact O-CA 3.28Å; L289-E300 WeakPolarHBondContact O-CA 3.22Å; F290-E300 HydrophobicContact CD1-CB 4.21Å; F290-E300 HydrophobicContact CD1-CG 4.19Å; F290-E300 HydrophobicContact CE1-CB 4.14Å; F290-E300 HydrophobicContact CE1-CG 3.74Å; F290-E300 HydrophobicContact CZ-CG 4.22Å; E300-P310 CarbonylContact O-C 3.46Å; E300-P310 VanDerWaalsContact O-CA 3.24Å; E300-P310 WeakPolarHBondContact O-CA 3.48Å; E300-V311 PolarHBondContact O-N 3.35Å; E300-F312 HydrophobicContact CB-CB 3.86Å; E300-F312 HydrophobicContact CG-CB 4.45Å; E300-F312 PolarHBondContact N-O 2.98Å; E300-F312 WeakPolarHBondContact OE2-CB 3.36Å; E300-Y314 HydrophobicContact CB-CE2 4.07Å; E300-Y314 PolarHBondContact OE2-OH 3.42Å
301	Y	95.5	Very high	92.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.4	175.1	-60.2	-87.4	0	0	0	110.8	I242 F265 Y277 R288 L289 A291 Y299 P310	I242-Y301 HydrophobicContact CD1-CE2 4.02Å; F265-Y301 HydrophobicContact CB-CE1 4.3Å; F265-Y301 AromaticContact CD1-CD1 3.84Å; F265-Y301 HydrophobicContact CD1-CD1 3.84Å; F265-Y301 HydrophobicContact CD1-CE1 4.28Å; F265-Y301 HydrophobicContact CD1-CG 4.26Å; F265-Y301 HydrophobicContact CE1-CD1 4.49Å; Y277-Y301 PolarHBondContact OH-OH 3.03Å; R288-Y301 WeakPolarHBondContact CA-O 3.43Å; L289-Y301 HydrophobicContact CD2-CD2 4.11Å; L289-Y301 HydrophobicContact CG-CD2 4.44Å; L289-Y301 PolarHBondContact N-O 3.01Å; L289-Y301 PolarHBondContact O-N 3Å; A291-Y301 HydrophobicContact CB-CE2 4.43Å; Y299-Y301 VanDerWaalsContact CB-CE2 3.49Å; Y299-Y301 HydrophobicContact CG-CE2 4.44Å; Y301-P310 HydrophobicContact CD1-CB 4.29Å; Y301-P310 HydrophobicContact CE1-CB 3.92Å; Y301-P310 HydrophobicContact CE1-CG 4.45Å
302	D	94.3	Very high	92.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.5	169.8	-170.4	-14.2	0	0	0	109.4	R288 T304 Q305 V311	R288-D302 IonicContact CZ-OD1 3.04Å; R288-D302 IonicContact CZ-OD2 2.86Å; R288-D302 IonicContact NH1-OD1 3.97Å; R288-D302 PolarHBondContact NH1-OD1 3.36Å; R288-D302 IonicContact NH1-OD2 3.84Å; R288-D302 PolarHBondContact NH1-OD2 2.78Å; R288-D302 IonicContact NH2-OD2 2.83Å; R288-D302 PolarHBondContact NH2-OD2 2.96Å; D302-T304 VanDerWaalsContact C-N 3.29Å; D302-T304 VanDerWaalsContact CG-OG1 3.26Å; D302-T304 WeakPolarHBondContact OD1-CA 3.49Å; D302-T304 WeakPolarHBondContact OD1-CB 3.23Å; D302-T304 PolarHBondContact OD1-N 3Å; D302-T304 PolarHBondContact OD1-OG1 2.83Å; D302-T304 PolarHBondContact OD2-OG1 3.47Å; D302-Q305 HydrophobicContact CB-CB 4.25Å; D302-Q305 HydrophobicContact CB-CG 4.21Å; D302-Q305 WeakPolarHBondContact OD2-CG 3.44Å; D302-Q305 PolarHBondContact OD2-NE2 2.98Å; D302-V311 HydrophobicContact CB-CG2 3.68Å
303	L	93.4	Very high	92.4	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	22%	0.216	C	C	.	.	S	Bend	trans	-79.2	-13.8	178.7	-62.8	178	0	0	0	112.8	V227 L233 F265 V282 T287 L289	V227-L303 HydrophobicContact CG1-CD1 3.96Å; V227-L303 HydrophobicContact CG2-CD1 3.96Å; L233-L303 HydrophobicContact CD1-CD1 4.34Å; L233-L303 HydrophobicContact CD1-CD2 4.36Å; F265-L303 HydrophobicContact CE2-CD2 4.33Å; F265-L303 HydrophobicContact CZ-CD2 3.85Å; V282-L303 HydrophobicContact CG1-CD1 4.1Å; T287-L303 PolarHBondContact O-N 3.47Å; L289-L303 HydrophobicContact CB-CD1 4.14Å; L289-L303 HydrophobicContact CB-CD2 4.03Å; L289-L303 HydrophobicContact CB-CG 4.05Å; L289-L303 HydrophobicContact CD2-CD2 4.37Å
304	T	91.7	Very high	92.5	Very high	96 Å²	96	38.2 Å²	38.2	59%	0.589	22%	0.216	S	C	*	.	S	Bend	trans	-82.2	-25	178.2	71.2	0	0	0	0	112.2	T287 D302	T287-T304 HydrophobicContact CG2-CG2 3.69Å; D302-T304 VanDerWaalsContact C-N 3.29Å; D302-T304 VanDerWaalsContact CG-OG1 3.26Å; D302-T304 WeakPolarHBondContact OD1-CA 3.49Å; D302-T304 WeakPolarHBondContact OD1-CB 3.23Å; D302-T304 PolarHBondContact OD1-N 3Å; D302-T304 PolarHBondContact OD1-OG1 2.83Å; D302-T304 PolarHBondContact OD2-OG1 3.47Å
305	Q	88.7	Confident	92.5	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	23%	0.232	S	C	.	.	S	Bend	trans	-90.1	153	178.2	-66.5	179.3	18.1	0	0	110.5	D302 T307	D302-Q305 HydrophobicContact CB-CB 4.25Å; D302-Q305 HydrophobicContact CB-CG 4.21Å; D302-Q305 WeakPolarHBondContact OD2-CG 3.44Å; D302-Q305 PolarHBondContact OD2-NE2 2.98Å; Q305-T307 HydrophobicContact CB-CG2 3.76Å; Q305-T307 PolarHBondContact O-N 3.27Å
306	S	85.6	Confident	92.4	Very high	107 Å²	107	42 Å²	42	75%	0.748	25%	0.25	S	C	*	.	S	Bend	trans	-78.4	-2.4	172.4	55.3	0	0	0	0	113.3
307	T	88.8	Confident	92.4	Very high	46 Å²	46	39.8 Å²	39.8	28%	0.282	24%	0.238	S	C	.	.			trans	-71.1	138.3	177.9	-173.4	0	0	0	0	110.9	Q305 Q309	Q305-T307 HydrophobicContact CB-CG2 3.76Å; Q305-T307 PolarHBondContact O-N 3.27Å; T307-Q309 PolarHBondContact OG1-N 2.83Å
308	T	87.8	Confident	92.5	Very high	50 Å²	50	41.1 Å²	41.1	31%	0.307	25%	0.246	S	C	.	.			trans	-98.9	3.7	173.7	61.1	0	0	0	0	112.2	I264	I264-T308 WeakPolarHBondContact O-CG2 2.95Å
309	Q	89.8	Confident	92.4	Very high	115 Å²	115	41.1 Å²	41.1	54%	0.537	25%	0.246	S	C	.	.	S	Bend	trans	-86.4	147	178.1	-66.6	-173.4	-1.4	0	0	111.1	T307	T307-Q309 PolarHBondContact OG1-N 2.83Å
310	P	92.9	Very high	92.2	Very high	37 Å²	37	46 Å²	46	24%	0.24	27%	0.273	C	S	.	.			trans	-68	138.1	175	28.6	-34.1	0	0	0	111.1	S268 Y299 E300 Y301 V313	S268-P310 WeakPolarHBondContact OG-CD 3.27Å; Y299-P310 HydrophobicContact CD1-CB 3.91Å; Y299-P310 HydrophobicContact CD1-CG 3.99Å; Y299-P310 HydrophobicContact CE1-CG 4.49Å; E300-P310 CarbonylContact O-C 3.46Å; E300-P310 VanDerWaalsContact O-CA 3.24Å; E300-P310 WeakPolarHBondContact O-CA 3.48Å; Y301-P310 HydrophobicContact CD1-CB 4.29Å; Y301-P310 HydrophobicContact CE1-CB 3.92Å; Y301-P310 HydrophobicContact CE1-CG 4.45Å; P310-V313 HydrophobicContact CB-CG2 4.49Å
311	V	92.5	Very high	92	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.188	28%	0.278	C	S	.	.	S	Bend	trans	-79.3	-36.2	177.7	-176.8	0	0	0	0	111.5	E300 D302 R534	E300-V311 PolarHBondContact O-N 3.35Å; D302-V311 HydrophobicContact CB-CG2 3.68Å; V311-R534 PolarHBondContact O-NE 3.16Å; V311-R534 PolarHBondContact O-NH2 3.39Å
312	F	94.3	Very high	91.8	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.8	-177.7	-150	-86.8	0	0	0	110.4	E300 Y314 K351 V532	E300-F312 HydrophobicContact CB-CB 3.86Å; E300-F312 HydrophobicContact CG-CB 4.45Å; E300-F312 PolarHBondContact N-O 2.98Å; E300-F312 WeakPolarHBondContact OE2-CB 3.36Å; F312-Y314 HydrophobicContact CB-CE2 4.28Å; F312-Y314 AromaticContact CD1-CD1 3.89Å; F312-Y314 HydrophobicContact CD1-CD1 3.89Å; F312-Y314 HydrophobicContact CD1-CD2 4.09Å; F312-Y314 AromaticContact CD1-CE1 3.51Å; F312-Y314 HydrophobicContact CD1-CE1 3.51Å; F312-Y314 AromaticContact CD1-CE2 3.72Å; F312-Y314 HydrophobicContact CD1-CE2 3.72Å; F312-Y314 HydrophobicContact CD1-CG 4.15Å; F312-Y314 AromaticContact CD1-CZ 3.39Å; F312-Y314 AromaticContact CE1-CD1 3.86Å; F312-Y314 HydrophobicContact CE1-CD1 3.86Å; F312-Y314 AromaticContact CE1-CE1 3.62Å; F312-Y314 HydrophobicContact CE1-CE1 3.62Å; F312-Y314 HydrophobicContact CE1-CG 4.45Å; F312-Y314 HydrophobicContact CG-CE2 4.38Å; F312-K351 WeakPolarHBondContact CZ-O 3.39Å; F312-V532 HydrophobicContact CE1-CG1 4.35Å; F312-V532 HydrophobicContact CE1-CG2 4.28Å; F312-V532 HydrophobicContact CE2-CG1 4.23Å; F312-V532 HydrophobicContact CZ-CG1 4.08Å; F312-V532 HydrophobicContact CZ-CG2 4.08Å
313	V	93.8	Very high	91.8	Very high	37 Å²	37	54 Å²	54	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	124.6	-176.9	-179.5	0	0	0	0	108	V297 Y299 P310 T315	V297-V313 HydrophobicContact CG1-CB 4.47Å; V297-V313 HydrophobicContact CG1-CG1 3.22Å; Y299-V313 HydrophobicContact CD1-CG2 4.14Å; Y299-V313 HydrophobicContact CE1-CG2 4.34Å; P310-V313 HydrophobicContact CB-CG2 4.49Å; V313-T315 HydrophobicContact CG1-CG2 4.02Å
314	Y	95.1	Very high	92	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.2	177.6	-51.9	-91.7	0	0	0	109.8	F290 V297 V298 E300 F312 I335 Y347 V349 G350	F290-Y314 HydrophobicContact CD1-CE2 4.21Å; F290-Y314 HydrophobicContact CE1-CE2 4.05Å; V297-Y314 WeakPolarHBondContact CA-O 3.31Å; V298-Y314 HydrophobicContact CB-CD2 4.3Å; V298-Y314 HydrophobicContact CG1-CD2 4.37Å; V298-Y314 PolarHBondContact N-O 3.5Å; V298-Y314 PolarHBondContact O-N 3.31Å; E300-Y314 HydrophobicContact CB-CE2 4.07Å; E300-Y314 PolarHBondContact OE2-OH 3.42Å; F312-Y314 HydrophobicContact CB-CE2 4.28Å; F312-Y314 AromaticContact CD1-CD1 3.89Å; F312-Y314 HydrophobicContact CD1-CD1 3.89Å; F312-Y314 HydrophobicContact CD1-CD2 4.09Å; F312-Y314 AromaticContact CD1-CE1 3.51Å; F312-Y314 HydrophobicContact CD1-CE1 3.51Å; F312-Y314 AromaticContact CD1-CE2 3.72Å; F312-Y314 HydrophobicContact CD1-CE2 3.72Å; F312-Y314 HydrophobicContact CD1-CG 4.15Å; F312-Y314 AromaticContact CD1-CZ 3.39Å; F312-Y314 AromaticContact CE1-CD1 3.86Å; F312-Y314 HydrophobicContact CE1-CD1 3.86Å; F312-Y314 AromaticContact CE1-CE1 3.62Å; F312-Y314 HydrophobicContact CE1-CE1 3.62Å; F312-Y314 HydrophobicContact CE1-CG 4.45Å; F312-Y314 HydrophobicContact CG-CE2 4.38Å; Y314-I335 HydrophobicContact CD1-CD1 4.05Å; Y314-I335 HydrophobicContact CD2-CD1 3.5Å; Y314-I335 HydrophobicContact CE1-CD1 4.36Å; Y314-I335 HydrophobicContact CE2-CD1 3.88Å; Y314-I335 HydrophobicContact CG-CD1 3.61Å; Y314-Y347 HydrophobicContact CD1-CD1 4.45Å; Y314-Y347 HydrophobicContact CD1-CG 4.05Å; Y314-Y347 HydrophobicContact CG-CG 4.38Å; Y314-V349 WeakPolarHBondContact OH-CA 3.46Å; Y314-G350 PolarHBondContact OH-N 3.04Å
315	T	92.5	Very high	92.3	Very high	72 Å²	72	48.8 Å²	48.8	44%	0.442	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	-173.1	63.4	0	0	0	0	110.8	V297 V313 Y347	V297-T315 HydrophobicContact CG1-CG2 4.5Å; V297-T315 HydrophobicContact CG2-CG2 4.14Å; V313-T315 HydrophobicContact CG1-CG2 4.02Å; T315-Y347 WeakPolarHBondContact O-CE1 3.44Å; T315-Y347 PolarHBondContact O-OH 2.86Å
316	G	89.1	Confident	92.7	Very high	48 Å²	48	44 Å²	44	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	132.2	-23.5	174.4	0	0	0	0	0	114.5	H345 Y347	G316-H345 PolarHBondContact O-CE1 2.58Å; G316-H345 VanDerWaalsContact O-CE1 3.23Å; G316-Y347 PolarHBondContact N-OH 2.91Å
317	H	94.1	Very high	93.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.019	22%	0.223	C	C	.	.			trans	-80.3	170.2	170.1	63.8	-76	0	0	0	110.7	N292 N296 T319 H345 Y347	N292-H317 PolarHBondContact OD1-NE2 2.9Å; N296-H317 WeakPolarHBondContact CB-O 3.29Å; N296-H317 PolarHBondContact O-CE1 2.96Å; H317-T319 PolarHBondContact CD2-OG1 2.87Å; H317-T319 PolarHBondContact NE2-OG1 3.08Å; H317-H345 HydrophobicContact CB-CB 4.02Å; H317-Y347 PolarHBondContact N-OH 2.85Å; H317-Y347 AromaticContact ND1-CE2 3.9Å; H317-Y347 AromaticContact ND1-CZ 3.85Å; H317-Y347 PolarHBondContact ND1-OH 3.36Å
318	V	94.7	Very high	93.7	Very high	45 Å²	45	37.8 Å²	37.8	27%	0.273	21%	0.211	S	C	.	.			trans	-125.5	129.5	176.7	-176.5	0	0	0	0	109.1	N296 S339 S340	N296-V318 WeakPolarHBondContact OD1-CA 3.39Å; V318-S339 PolarHBondContact N-OG 2.74Å; V318-S339 CarbonylContact O-C 3.52Å; V318-S339 WeakPolarHBondContact O-CA 3.03Å; V318-S339 PolarHBondContact O-OG 3.4Å; V318-S340 PolarHBondContact O-N 3.25Å; V318-S340 PolarHBondContact O-OG 3.22Å
319	T	93.9	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.			trans	-124.1	83.2	-175.9	-51.1	0	0	0	0	109.4	N292 L294 N296 H317 V324	N292-T319 PolarHBondContact OD1-OG1 3.37Å; L294-T319 HydrophobicContact CD2-CG2 3.84Å; L294-T319 WeakPolarHBondContact CD2-O 3.44Å; N296-T319 PolarHBondContact OD1-N 2.8Å; H317-T319 PolarHBondContact CD2-OG1 2.87Å; H317-T319 PolarHBondContact NE2-OG1 3.08Å; T319-V324 HydrophobicContact CG2-CB 3.9Å; T319-V324 HydrophobicContact CG2-CG1 4.26Å; T319-V324 HydrophobicContact CG2-CG2 4.39Å
320	D	91.1	Very high	94.1	Very high	114 Å²	114	31.7 Å²	31.7	61%	0.61	18%	0.182	S	C	*	.			trans	-85	-13.3	178.1	-72.9	-31.7	0	0	0	113.3	S340	D320-S340 WeakPolarHBondContact CB-OG 3.44Å; D320-S340 PolarHBondContact N-OG 3.28Å
321	S	91.6	Very high	93.9	Very high	22 Å²	22	33.3 Å²	33.3	15%	0.154	19%	0.189	C	C	.	.	S	Bend	trans	-131.9	154	-174.7	97.8	0	0	0	0	113.3	L294 Y323 E365	L294-S321 WeakPolarHBondContact CD2-O 3.11Å; S321-Y323 PolarHBondContact O-N 2.82Å; S321-Y323 WeakPolarHBondContact OG-CB 3.39Å; S321-Y323 PolarHBondContact OG-N 3.33Å; S321-Y323 VanDerWaalsContact OG-N 3.09Å; S321-E365 VanDerWaalsContact CB-OE1 3.32Å; S321-E365 WeakPolarHBondContact CB-OE1 3.49Å; S321-E365 PolarHBondContact OG-OE1 3.33Å
322	F	92.4	Very high	94	Very high	78 Å²	78	33.2 Å²	33.2	34%	0.342	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.5	172.1	-72.9	-75	0	0	0	113.2	T222 S237 L294	T222-F322 HydrophobicContact CG2-CD1 3.69Å; T222-F322 HydrophobicContact CG2-CE1 3.94Å; T222-F322 HydrophobicContact CG2-CG 4.38Å; S237-F322 WeakPolarHBondContact O-CZ 3.45Å; L294-F322 HydrophobicContact CD1-CD1 3.94Å; L294-F322 HydrophobicContact CD1-CD2 4.19Å; L294-F322 HydrophobicContact CD1-CE1 3.38Å; L294-F322 HydrophobicContact CD1-CE2 3.66Å; L294-F322 HydrophobicContact CD1-CG 4.32Å; L294-F322 HydrophobicContact CD1-CZ 3.23Å; L294-F322 HydrophobicContact CG-CD1 4.31Å; L294-F322 HydrophobicContact CG-CE1 4.08Å; L294-F322 HydrophobicContact CG-CZ 4.38Å
323	Y	95.1	Very high	93.9	Very high	84 Å²	84	35.2 Å²	35.2	33%	0.329	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.6	-179.8	-58.5	-72.8	0	0	0	112.5	F54 F100 S321 K325	F54-Y323 AromaticContact CD1-CD1 3.37Å; F54-Y323 HydrophobicContact CD1-CD1 3.37Å; F54-Y323 AromaticContact CD1-CE1 3.59Å; F54-Y323 HydrophobicContact CD1-CE1 3.59Å; F54-Y323 HydrophobicContact CD1-CG 4.1Å; F54-Y323 AromaticContact CE1-CD1 3.59Å; F54-Y323 HydrophobicContact CE1-CD1 3.59Å; F54-Y323 AromaticContact CE1-CE1 3.46Å; F54-Y323 HydrophobicContact CE1-CE1 3.46Å; F54-Y323 VanDerWaalsContact CE1-CE1 3.46Å; F54-Y323 HydrophobicContact CE1-CE2 4.49Å; F54-Y323 HydrophobicContact CE1-CG 4.14Å; F54-Y323 AromaticContact CE1-CZ 3.95Å; F54-Y323 HydrophobicContact CG-CD1 4.31Å; F54-Y323 HydrophobicContact CG-CE1 4.38Å; F54-Y323 HydrophobicContact CZ-CE1 4.15Å; F100-Y323 HydrophobicContact CD1-CE1 4.14Å; F100-Y323 AromaticContact CE1-CE1 3.95Å; F100-Y323 HydrophobicContact CE1-CE1 3.95Å; S321-Y323 PolarHBondContact O-N 2.82Å; S321-Y323 WeakPolarHBondContact OG-CB 3.39Å; S321-Y323 PolarHBondContact OG-N 3.33Å; S321-Y323 VanDerWaalsContact OG-N 3.09Å; Y323-K325 PolarHBondContact O-N 3.12Å
324	V	96.7	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.			trans	-72.5	108.4	176.8	-178.7	0	0	0	0	110.5	S278 N292 T319 G338 E365 S367	S278-V324 VanDerWaalsContact CB-O 3.24Å; S278-V324 WeakPolarHBondContact CB-O 3.23Å; S278-V324 PolarHBondContact OG-O 2.85Å; N292-V324 PolarHBondContact ND2-O 2.8Å; N292-V324 VanDerWaalsContact ND2-O 3.11Å; T319-V324 HydrophobicContact CG2-CB 3.9Å; T319-V324 HydrophobicContact CG2-CG1 4.26Å; T319-V324 HydrophobicContact CG2-CG2 4.39Å; V324-G338 WeakPolarHBondContact CG1-O 3.39Å; V324-E365 HydrophobicContact CG2-CG 4.02Å; V324-E365 WeakPolarHBondContact CG2-OE1 3.31Å; V324-S367 CarbonylContact C-O 3.55Å; V324-S367 VanDerWaalsContact CA-O 3.3Å; V324-S367 WeakPolarHBondContact CA-O 3.3Å
325	K	97.9	Very high	94.1	Very high	21 Å²	21	35.4 Å²	35.4	9%	0.091	20%	0.199	C	C	.	.			trans	-98.3	170	-177.6	-69.9	-168.6	-177.8	171.1	0	112.2	F54 F100 D101 D279 Y323 G338 S367 V368 P369	F54-K325 VanDerWaalsContact O-CE 3.31Å; F54-K325 WeakPolarHBondContact O-CE 3.4Å; F54-K325 PolarHBondContact O-NZ 3.06Å; F100-K325 PolarHBondContact O-NZ 3.06Å; D101-K325 IonicContact OD1-NZ 3.56Å; D279-K325 HydrophobicContact CB-CB 4.18Å; D279-K325 HydrophobicContact CB-CG 4.1Å; D279-K325 WeakPolarHBondContact OD2-CB 3.42Å; D279-K325 WeakPolarHBondContact OD2-CG 3.44Å; Y323-K325 PolarHBondContact O-N 3.12Å; K325-G338 PolarHBondContact O-N 3.3Å; K325-G338 VanDerWaalsContact O-N 3.08Å; K325-S367 PolarHBondContact N-O 3.21Å; K325-V368 HydrophobicContact CB-CB 4.48Å; K325-V368 HydrophobicContact CB-CG1 4.24Å; K325-V368 HydrophobicContact CB-CG2 4.23Å; K325-V368 HydrophobicContact CD-CG1 4.21Å; K325-V368 HydrophobicContact CD-CG2 3.86Å; K325-V368 HydrophobicContact CG-CG2 4.14Å; K325-P369 WeakPolarHBondContact O-CD 3.17Å
326	L	98	Very high	94.3	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163.8	175.4	78.3	113.6	0	0	0	111	D279 A281 F290 N292 I336 R370	D279-L326 HydrophobicContact CB-CD2 4.11Å; D279-L326 WeakPolarHBondContact O-CD2 3.4Å; D279-L326 PolarHBondContact OD2-N 3.49Å; D279-L326 VanDerWaalsContact OD2-N 3.17Å; A281-L326 HydrophobicContact CB-CD1 3.56Å; A281-L326 HydrophobicContact CB-CG 4.25Å; F290-L326 HydrophobicContact CB-CD1 3.79Å; N292-L326 HydrophobicContact CB-CB 4.43Å; N292-L326 HydrophobicContact CB-CD2 3.37Å; N292-L326 HydrophobicContact CB-CG 4.5Å; N292-L326 VanDerWaalsContact N-CD2 3.25Å; L326-I336 CarbonylContact C-O 3.46Å; L326-I336 VanDerWaalsContact CA-O 3.23Å; L326-I336 WeakPolarHBondContact CA-O 3.35Å; L326-I336 WeakPolarHBondContact CB-O 3.14Å; L326-R370 PolarHBondContact O-NH1 3.05Å
327	D	97.9	Very high	94.7	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.2	169.4	-168.2	17.6	0	0	0	110.1	I335 I336 R370 W371 K373	D327-I335 WeakPolarHBondContact O-CA 3.47Å; D327-I336 HydrophobicContact CB-CG2 3.94Å; D327-I336 PolarHBondContact N-O 3.35Å; D327-I336 PolarHBondContact O-N 3.27Å; D327-R370 WeakPolarHBondContact OD2-CA 3.5Å; D327-W371 PolarHBondContact OD2-N 2.75Å; D327-K373 IonicContact OD1-NZ 2.86Å; D327-K373 PolarHBondContact OD1-NZ 2.72Å; D327-K373 IonicContact OD2-NZ 3.5Å; D327-K373 PolarHBondContact OD2-NZ 2.76Å
328	I	96.6	Very high	94.9	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.1	176.3	-172.6	155	0	0	0	109.9	N283 F290 D332 Y334 I335 K373	N283-I328 HydrophobicContact CB-CD1 4.02Å; F290-I328 HydrophobicContact CD2-CD1 3.99Å; F290-I328 HydrophobicContact CE2-CD1 3.39Å; F290-I328 HydrophobicContact CZ-CD1 3.95Å; I328-D332 HydrophobicContact CD1-CB 4.22Å; I328-Y334 WeakPolarHBondContact CG1-O 3.31Å; I328-I335 HydrophobicContact CB-CG2 4.44Å; I328-I335 HydrophobicContact CD1-CG2 4.24Å; I328-I335 HydrophobicContact CG1-CG2 4.26Å; I328-K373 PolarHBondContact O-NZ 3.4Å
329	S	94.9	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.			trans	-62.7	151.5	174.3	61.8	0	0	0	0	110.8	D331 D332 S333 Y334	S329-D331 VanDerWaalsContact CB-OD1 3.27Å; S329-D331 WeakPolarHBondContact CB-OD1 3.28Å; S329-D331 PolarHBondContact O-N 2.85Å; S329-D331 VanDerWaalsContact O-N 3.09Å; S329-D331 PolarHBondContact OG-OD1 2.71Å; S329-D332 PolarHBondContact O-N 2.73Å; S329-S333 PolarHBondContact OG-N 2.86Å; S329-Y334 PolarHBondContact N-O 2.67Å; S329-Y334 PolarHBondContact OG-N 2.72Å; S329-Y334 PolarHBondContact OG-O 2.89Å
330	P	91.2	Very high	95.2	Very high	37 Å²	37	28.6 Å²	28.6	24%	0.24	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	-177.4	-25.7	36.1	0	0	0	115	C372 K373 P376	P330-C372 WeakPolarHBondContact CG-O 3.3Å; P330-K373 HydrophobicContact CG-CD 4.19Å; P330-P376 HydrophobicContact CG-CB 4.07Å
331	D	89.4	Confident	95.4	Very high	71 Å²	71	25.8 Å²	25.8	38%	0.38	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.7	177.7	70.8	-21.6	0	0	0	113.6	I28 S329 S333	I28-D331 HydrophobicContact CD1-CB 4.44Å; I28-D331 WeakPolarHBondContact CD1-OD1 3.49Å; S329-D331 VanDerWaalsContact CB-OD1 3.27Å; S329-D331 WeakPolarHBondContact CB-OD1 3.28Å; S329-D331 PolarHBondContact O-N 2.85Å; S329-D331 VanDerWaalsContact O-N 3.09Å; S329-D331 PolarHBondContact OG-OD1 2.71Å; D331-S333 PolarHBondContact O-N 2.78Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 WeakPolarHBondContact OD1-CB 3.24Å; D331-S333 PolarHBondContact OD1-N 2.86Å; D331-S333 VanDerWaalsContact OD1-N 3.15Å; D331-S333 WeakPolarHBondContact OD2-CB 3.33Å; D331-S333 PolarHBondContact OD2-OG 3.46Å
332	D	93.3	Very high	95.7	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.15	15%	0.153	C	C	.	.	S	Bend	trans	59.6	10.8	-175.4	-59.4	-25.4	0	0	0	115.2	N283 S284 H285 I328 S329 V349	N283-D332 HydrophobicContact CB-CB 4.34Å; S284-D332 WeakPolarHBondContact CB-OD1 3.29Å; S284-D332 VanDerWaalsContact CB-OD2 3.3Å; S284-D332 WeakPolarHBondContact CB-OD2 3.42Å; S284-D332 PolarHBondContact N-OD1 3.4Å; S284-D332 PolarHBondContact N-OD2 3.34Å; S284-D332 PolarHBondContact OG-OD1 3.18Å; S284-D332 PolarHBondContact OG-OD2 2.87Å; H285-D332 IonicContact ND1-OD2 3.8Å; I328-D332 HydrophobicContact CD1-CB 4.22Å; S329-D332 PolarHBondContact O-N 2.73Å; D332-V349 WeakPolarHBondContact O-CG2 3.26Å
333	S	93.1	Very high	95.9	Very high	51 Å²	51	32.1 Å²	32.1	36%	0.357	15%	0.153	S	C	.	.	S	Bend	trans	-82.8	-25.8	-175.5	-62.6	0	0	0	0	114	S329 D331 V349	S329-S333 PolarHBondContact OG-N 2.86Å; D331-S333 PolarHBondContact O-N 2.78Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 WeakPolarHBondContact OD1-CB 3.24Å; D331-S333 PolarHBondContact OD1-N 2.86Å; D331-S333 VanDerWaalsContact OD1-N 3.15Å; D331-S333 WeakPolarHBondContact OD2-CB 3.33Å; D331-S333 PolarHBondContact OD2-OG 3.46Å; S333-V349 PolarHBondContact O-N 2.82Å
334	Y	95.5	Very high	96	Very high	41 Å²	41	28.1 Å²	28.1	16%	0.161	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.5	-174.2	-61	-81.1	0	0	0	111.6	I28 V30 I328 S329 I346 Y347 A348	I28-Y334 HydrophobicContact CB-CE2 4.21Å; I28-Y334 HydrophobicContact CG2-CD2 4.47Å; I28-Y334 HydrophobicContact CG2-CE2 4.44Å; V30-Y334 HydrophobicContact CG1-CD1 4.05Å; V30-Y334 HydrophobicContact CG1-CD2 3.89Å; V30-Y334 HydrophobicContact CG1-CE1 4.18Å; V30-Y334 HydrophobicContact CG1-CE2 4.01Å; V30-Y334 HydrophobicContact CG1-CG 3.92Å; V30-Y334 HydrophobicContact CG2-CD1 4.13Å; V30-Y334 HydrophobicContact CG2-CE1 3.56Å; V30-Y334 HydrophobicContact CG2-CE2 4.32Å; I328-Y334 WeakPolarHBondContact CG1-O 3.31Å; S329-Y334 PolarHBondContact N-O 2.67Å; S329-Y334 PolarHBondContact OG-N 2.72Å; S329-Y334 PolarHBondContact OG-O 2.89Å; Y334-I346 HydrophobicContact CD1-CG2 4.02Å; Y334-I346 HydrophobicContact CG-CG2 4.3Å; Y334-Y347 CarbonylContact C-O 3.55Å; Y334-Y347 VanDerWaalsContact CA-O 3.23Å; Y334-Y347 WeakPolarHBondContact CA-O 3.44Å; Y334-A348 HydrophobicContact CD1-CB 4.13Å; Y334-A348 HydrophobicContact CE1-CB 3.95Å
335	I	96.8	Very high	96	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.6	166.1	56.7	164.9	0	0	0	109	F290 V298 Y314 D327 I328 I346 Y347 V349	F290-I335 HydrophobicContact CD1-CD1 4.47Å; F290-I335 HydrophobicContact CD1-CG2 3.8Å; F290-I335 HydrophobicContact CD2-CG2 4.44Å; F290-I335 HydrophobicContact CE1-CG2 3.86Å; F290-I335 HydrophobicContact CG-CG2 4.09Å; F290-I335 HydrophobicContact CZ-CG2 4.23Å; V298-I335 HydrophobicContact CB-CD1 4.26Å; V298-I335 HydrophobicContact CG1-CD1 3.98Å; Y314-I335 HydrophobicContact CD1-CD1 4.05Å; Y314-I335 HydrophobicContact CD2-CD1 3.5Å; Y314-I335 HydrophobicContact CE1-CD1 4.36Å; Y314-I335 HydrophobicContact CE2-CD1 3.88Å; Y314-I335 HydrophobicContact CG-CD1 3.61Å; D327-I335 WeakPolarHBondContact O-CA 3.47Å; I328-I335 HydrophobicContact CB-CG2 4.44Å; I328-I335 HydrophobicContact CD1-CG2 4.24Å; I328-I335 HydrophobicContact CG1-CG2 4.26Å; I335-I346 CarbonylContact O-C 3.49Å; I335-I346 VanDerWaalsContact O-CA 3.26Å; I335-I346 WeakPolarHBondContact O-CA 3.17Å; I335-Y347 HydrophobicContact CD1-CD2 3.9Å; I335-Y347 HydrophobicContact CD1-CG 4.39Å; I335-Y347 HydrophobicContact CG1-CD2 3.97Å; I335-Y347 HydrophobicContact CG1-CG 4.33Å; I335-Y347 PolarHBondContact N-O 2.84Å; I335-Y347 PolarHBondContact O-N 2.97Å; I335-V349 HydrophobicContact CG2-CG2 3.85Å
336	I	97.9	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.5	172.4	-170.6	167.4	0	0	0	109.7	L326 D327 A344 H345 I346 L359 P369 W371 I379	L326-I336 CarbonylContact C-O 3.46Å; L326-I336 VanDerWaalsContact CA-O 3.23Å; L326-I336 WeakPolarHBondContact CA-O 3.35Å; L326-I336 WeakPolarHBondContact CB-O 3.14Å; D327-I336 HydrophobicContact CB-CG2 3.94Å; D327-I336 PolarHBondContact N-O 3.35Å; D327-I336 PolarHBondContact O-N 3.27Å; I336-A344 HydrophobicContact CD1-CB 3.95Å; I336-A344 HydrophobicContact CG1-CB 4.05Å; I336-H345 CarbonylContact C-O 3.58Å; I336-H345 VanDerWaalsContact CA-O 3.31Å; I336-H345 WeakPolarHBondContact CA-O 3.17Å; I336-I346 HydrophobicContact CB-CG1 4.15Å; I336-I346 HydrophobicContact CD1-CD1 4.13Å; I336-I346 HydrophobicContact CD1-CG1 3.82Å; I336-I346 HydrophobicContact CG1-CG1 3.8Å; I336-L359 HydrophobicContact CD1-CD1 3.79Å; I336-P369 HydrophobicContact CB-CB 4.33Å; I336-P369 HydrophobicContact CD1-CB 3.71Å; I336-P369 HydrophobicContact CG1-CB 3.66Å; I336-P369 HydrophobicContact CG1-CG 4.06Å; I336-P369 HydrophobicContact CG2-CB 3.8Å; I336-P369 HydrophobicContact CG2-CG 4.01Å; I336-W371 VanDerWaalsContact CG2-CD1 3.45Å; I336-I379 HydrophobicContact CD1-CD1 4.23Å; I336-I379 HydrophobicContact CD1-CG2 3.82Å
337	C	97.8	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.5	177.4	-169.5	0	0	0	0	109.9	N292 V298 A344 H345	N292-C337 PolarHBondContact ND2-SG 3.1Å; N292-C337 VanDerWaalsContact ND2-SG 3.39Å; V298-C337 HydrophobicContact CG2-CB 4.39Å; C337-A344 CarbonylContact O-C 3.5Å; C337-A344 VanDerWaalsContact O-CA 3.24Å; C337-A344 WeakPolarHBondContact O-CA 3.47Å; C337-H345 PolarHBondContact N-O 3Å; C337-H345 PolarHBondContact O-N 3.09Å
338	G	97.8	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.			trans	-68.1	171.1	167.7	0	0	0	0	0	110.7	V324 K325 V366	V324-G338 WeakPolarHBondContact CG1-O 3.39Å; K325-G338 PolarHBondContact O-N 3.3Å; K325-G338 VanDerWaalsContact O-N 3.08Å; G338-V366 CarbonylContact C-O 3.51Å; G338-V366 WeakPolarHBondContact CA-O 3.21Å
339	S	97.2	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-160.6	145.4	178.6	175.8	0	0	0	0	112.7	V318 D341 R342 R343 V366	V318-S339 PolarHBondContact N-OG 2.74Å; V318-S339 CarbonylContact O-C 3.52Å; V318-S339 WeakPolarHBondContact O-CA 3.03Å; V318-S339 PolarHBondContact O-OG 3.4Å; S339-D341 WeakPolarHBondContact CB-OD1 3.32Å; S339-D341 PolarHBondContact O-N 3.4Å; S339-D341 PolarHBondContact OG-N 3.16Å; S339-D341 PolarHBondContact OG-OD1 3.32Å; S339-R342 PolarHBondContact O-N 2.78Å; S339-R343 VanDerWaalsContact CB-O 3.24Å; S339-R343 WeakPolarHBondContact CB-O 3.31Å; S339-R343 PolarHBondContact N-O 3Å; S339-R343 VanDerWaalsContact N-O 3.15Å; S339-V366 PolarHBondContact N-O 2.73Å; S339-V366 VanDerWaalsContact N-O 3.08Å; S339-V366 PolarHBondContact O-N 2.97Å
340	S	96.7	Very high	95.4	Very high	25 Å²	25	31 Å²	31	18%	0.175	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.6	175.2	-49.3	0	0	0	0	112.9	V318 D320 R342 E365	V318-S340 PolarHBondContact O-N 3.25Å; V318-S340 PolarHBondContact O-OG 3.22Å; D320-S340 WeakPolarHBondContact CB-OG 3.44Å; D320-S340 PolarHBondContact N-OG 3.28Å; S340-R342 PolarHBondContact O-N 3.37Å; S340-E365 VanDerWaalsContact CB-OE2 3.24Å; S340-E365 WeakPolarHBondContact CB-OE2 3.39Å; S340-E365 PolarHBondContact OG-OE2 3.06Å
341	D	95.5	Very high	95.3	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	10.9	173	75.6	-13.9	0	0	0	114.1	S339 R343 H345	S339-D341 WeakPolarHBondContact CB-OD1 3.32Å; S339-D341 PolarHBondContact O-N 3.4Å; S339-D341 PolarHBondContact OG-N 3.16Å; S339-D341 PolarHBondContact OG-OD1 3.32Å; D341-R343 VanDerWaalsContact C-N 3.32Å; D341-R343 WeakPolarHBondContact OD1-CB 3.47Å; D341-R343 PolarHBondContact OD1-N 3.41Å; D341-R343 VanDerWaalsContact OD1-N 3.15Å; D341-H345 IonicContact OD1-NE2 2.94Å; D341-H345 IonicContact OD2-CE1 3.69Å; D341-H345 IonicContact OD2-NE2 3.39Å; D341-H345 PolarHBondContact OD2-NE2 3.19Å
342	R	97.3	Very high	95.1	Very high	145 Å²	145	40.6 Å²	40.6	55%	0.547	20%	0.197	S	C	.	.	S	Bend	trans	69.9	23	180	-39.7	166.7	-155.8	-128.4	5.2	114.7	S339 S340 T363 G364	S339-R342 PolarHBondContact O-N 2.78Å; S340-R342 PolarHBondContact O-N 3.37Å; R342-T363 WeakPolarHBondContact CD-O 3.4Å; R342-T363 PolarHBondContact NH1-O 2.98Å; R342-G364 WeakPolarHBondContact CA-O 3.29Å; R342-G364 WeakPolarHBondContact CB-O 3.3Å; R342-G364 WeakPolarHBondContact CG-O 3.45Å
343	R	96.8	Very high	94.8	Very high	87 Å²	87	50.2 Å²	50.2	33%	0.328	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.2	-178.9	-58.7	174.4	173.9	-150.3	-16.4	110.5	S339 D341 V358 L359 S360 V366	S339-R343 VanDerWaalsContact CB-O 3.24Å; S339-R343 WeakPolarHBondContact CB-O 3.31Å; S339-R343 PolarHBondContact N-O 3Å; S339-R343 VanDerWaalsContact N-O 3.15Å; D341-R343 VanDerWaalsContact C-N 3.32Å; D341-R343 WeakPolarHBondContact OD1-CB 3.47Å; D341-R343 PolarHBondContact OD1-N 3.41Å; D341-R343 VanDerWaalsContact OD1-N 3.15Å; R343-V358 HydrophobicContact CB-CB 4.42Å; R343-L359 VanDerWaalsContact CA-O 3.3Å; R343-L359 WeakPolarHBondContact CA-O 3.33Å; R343-S360 VanDerWaalsContact CZ-OG 3.29Å; R343-S360 PolarHBondContact NE-OG 2.86Å; R343-V366 WeakPolarHBondContact O-CB 3.11Å
344	A	97.7	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.9	162.2	0	0	0	0	0	109	I336 C337 V358 L359 V366 T381	I336-A344 HydrophobicContact CD1-CB 3.95Å; I336-A344 HydrophobicContact CG1-CB 4.05Å; C337-A344 CarbonylContact O-C 3.5Å; C337-A344 VanDerWaalsContact O-CA 3.24Å; C337-A344 WeakPolarHBondContact O-CA 3.47Å; A344-V358 CarbonylContact O-C 3.55Å; A344-V358 VanDerWaalsContact O-CA 3.31Å; A344-V358 WeakPolarHBondContact O-CA 3.36Å; A344-L359 HydrophobicContact CB-CB 4.1Å; A344-L359 HydrophobicContact CB-CD1 4.26Å; A344-L359 HydrophobicContact CB-CG 4.37Å; A344-L359 PolarHBondContact N-O 3.09Å; A344-L359 VanDerWaalsContact N-O 3.12Å; A344-L359 PolarHBondContact O-N 3.04Å; A344-V366 HydrophobicContact CB-CG1 4.21Å; A344-T381 HydrophobicContact CB-CG2 4.04Å
345	H	97.5	Very high	94	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.4	-179.1	-71.7	-110.5	0	0	0	110.3	G316 H317 I336 C337 D341 Y347 V358	G316-H345 PolarHBondContact O-CE1 2.58Å; G316-H345 VanDerWaalsContact O-CE1 3.23Å; H317-H345 HydrophobicContact CB-CB 4.02Å; I336-H345 CarbonylContact C-O 3.58Å; I336-H345 VanDerWaalsContact CA-O 3.31Å; I336-H345 WeakPolarHBondContact CA-O 3.17Å; C337-H345 PolarHBondContact N-O 3Å; C337-H345 PolarHBondContact O-N 3.09Å; D341-H345 IonicContact OD1-NE2 2.94Å; D341-H345 IonicContact OD2-CE1 3.69Å; D341-H345 IonicContact OD2-NE2 3.39Å; D341-H345 PolarHBondContact OD2-NE2 3.19Å; H345-Y347 HydrophobicContact CB-CE2 3.78Å; H345-V358 WeakPolarHBondContact ND1-CG1 3.47Å
346	I	97.1	Very high	93.7	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.1	177.5	-58.3	174.8	0	0	0	109.2	V30 Y334 I335 I336 P356 I357 L359 I379	V30-I346 HydrophobicContact CB-CG2 4.36Å; V30-I346 HydrophobicContact CG1-CD1 4.45Å; V30-I346 HydrophobicContact CG1-CG2 3.96Å; Y334-I346 HydrophobicContact CD1-CG2 4.02Å; Y334-I346 HydrophobicContact CG-CG2 4.3Å; I335-I346 CarbonylContact O-C 3.49Å; I335-I346 VanDerWaalsContact O-CA 3.26Å; I335-I346 WeakPolarHBondContact O-CA 3.17Å; I336-I346 HydrophobicContact CB-CG1 4.15Å; I336-I346 HydrophobicContact CD1-CD1 4.13Å; I336-I346 HydrophobicContact CD1-CG1 3.82Å; I336-I346 HydrophobicContact CG1-CG1 3.8Å; I346-P356 WeakPolarHBondContact O-CA 3.46Å; I346-I357 HydrophobicContact CB-CB 4.38Å; I346-I357 PolarHBondContact N-O 3.46Å; I346-I357 PolarHBondContact O-N 3.09Å; I346-L359 HydrophobicContact CD1-CD1 4.14Å; I346-L359 HydrophobicContact CD1-CD2 3.99Å; I346-L359 HydrophobicContact CD1-CG 3.98Å; I346-I379 HydrophobicContact CD1-CD1 4.21Å
347	Y	96.1	Very high	93.5	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.5	178	-52.7	-83	0	0	0	111.1	Y314 T315 G316 H317 Y334 I335 H345 P356	Y314-Y347 HydrophobicContact CD1-CD1 4.45Å; Y314-Y347 HydrophobicContact CD1-CG 4.05Å; Y314-Y347 HydrophobicContact CG-CG 4.38Å; T315-Y347 WeakPolarHBondContact O-CE1 3.44Å; T315-Y347 PolarHBondContact O-OH 2.86Å; G316-Y347 PolarHBondContact N-OH 2.91Å; H317-Y347 PolarHBondContact N-OH 2.85Å; H317-Y347 AromaticContact ND1-CE2 3.9Å; H317-Y347 AromaticContact ND1-CZ 3.85Å; H317-Y347 PolarHBondContact ND1-OH 3.36Å; Y334-Y347 CarbonylContact C-O 3.55Å; Y334-Y347 VanDerWaalsContact CA-O 3.23Å; Y334-Y347 WeakPolarHBondContact CA-O 3.44Å; I335-Y347 HydrophobicContact CD1-CD2 3.9Å; I335-Y347 HydrophobicContact CD1-CG 4.39Å; I335-Y347 HydrophobicContact CG1-CD2 3.97Å; I335-Y347 HydrophobicContact CG1-CG 4.33Å; I335-Y347 PolarHBondContact N-O 2.84Å; I335-Y347 PolarHBondContact O-N 2.97Å; H345-Y347 HydrophobicContact CB-CE2 3.78Å; Y347-P356 HydrophobicContact CD1-CB 3.85Å; Y347-P356 HydrophobicContact CD1-CG 3.79Å; Y347-P356 HydrophobicContact CE1-CB 3.7Å; Y347-P356 HydrophobicContact CE1-CG 3.62Å
348	A	94.5	Very high	93.4	Very high	14 Å²	14	56.2 Å²	56.2	12%	0.116	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.5	173	0	0	0	0	0	110.3	Y334 G350 K351 Q354	Y334-A348 HydrophobicContact CD1-CB 4.13Å; Y334-A348 HydrophobicContact CE1-CB 3.95Å; A348-G350 PolarHBondContact O-N 2.94Å; A348-K351 HydrophobicContact CB-CB 4.26Å; A348-K351 HydrophobicContact CB-CD 3.57Å; A348-K351 HydrophobicContact CB-CG 3.91Å; A348-Q354 PolarHBondContact O-NE2 3.48Å
349	V	94.4	Very high	93.3	Very high	39 Å²	39	56.2 Å²	56.2	24%	0.236	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	132.8	-176.4	177	0	0	0	0	110.6	F290 Y314 D332 S333 I335 K351	F290-V349 HydrophobicContact CE1-CG1 4.35Å; F290-V349 HydrophobicContact CE1-CG2 4.34Å; F290-V349 HydrophobicContact CZ-CG1 4.05Å; F290-V349 HydrophobicContact CZ-CG2 4.23Å; Y314-V349 WeakPolarHBondContact OH-CA 3.46Å; D332-V349 WeakPolarHBondContact O-CG2 3.26Å; S333-V349 PolarHBondContact O-N 2.82Å; I335-V349 HydrophobicContact CG2-CG2 3.85Å; V349-K351 PolarHBondContact O-N 2.85Å; V349-K351 VanDerWaalsContact O-N 3.07Å
350	G	90.2	Very high	93.2	Very high	47 Å²	47	56.9 Å²	56.9	49%	0.485	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-5.6	174.4	0	0	0	0	0	116.9	Y314 A348 R352	Y314-G350 PolarHBondContact OH-N 3.04Å; A348-G350 PolarHBondContact O-N 2.94Å; G350-R352 PolarHBondContact O-N 2.91Å
351	K	89	Confident	93	Very high	119 Å²	119	57.2 Å²	57.2	52%	0.517	27%	0.269	S	S	.	.			trans	-76.1	122.5	178.2	-65.8	-166.8	-172.3	168.6	0	111	F312 A348 V349 Q354	F312-K351 WeakPolarHBondContact CZ-O 3.39Å; A348-K351 HydrophobicContact CB-CB 4.26Å; A348-K351 HydrophobicContact CB-CD 3.57Å; A348-K351 HydrophobicContact CB-CG 3.91Å; V349-K351 PolarHBondContact O-N 2.85Å; V349-K351 VanDerWaalsContact O-N 3.07Å; K351-Q354 PolarHBondContact O-NE2 2.85Å
352	R	84.6	Confident	93	Very high	192 Å²	192	55.1 Å²	55.1	73%	0.725	26%	0.257	S	S	*	.	S	Bend	trans	-67.5	-38.9	178.8	-67.1	-166.8	-175.7	124.2	1.7	113.6	G350 Q354	G350-R352 PolarHBondContact O-N 2.91Å; R352-Q354 PolarHBondContact O-N 3.21Å
353	R	87.3	Confident	92.9	Very high	230 Å²	230	51.7 Å²	51.7	87%	0.868	25%	0.253	S	S	*	.	S	Bend	trans	-90.1	98.8	172.4	-70.9	-172.7	173.9	-159.7	-2	108
354	Q	86.1	Confident	92.8	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	24%	0.24	C	C	.	.			trans	-77.6	134.4	177.2	-71.3	-65.9	-29.2	0	0	110.1	A348 K351 R352 P356	A348-Q354 PolarHBondContact O-NE2 3.48Å; K351-Q354 PolarHBondContact O-NE2 2.85Å; R352-Q354 PolarHBondContact O-N 3.21Å; Q354-P356 HydrophobicContact CB-CG 4.46Å
355	Q	85.7	Confident	92.7	Very high	135 Å²	135	49.2 Å²	49.2	63%	0.631	25%	0.246	S	C	*	.			trans	-126.6	82.8	164.6	-66.2	-174.3	17.9	0	0	106.9	L413	Q355-L413 HydrophobicContact CB-CD1 4.05Å
356	P	90.3	Very high	92.8	Very high	21 Å²	21	49 Å²	49	14%	0.136	25%	0.246	C	C	.	.			trans	-64.3	139.5	-176.2	-19	32.2	0	0	0	111	I346 Y347 Q354 I414	I346-P356 WeakPolarHBondContact O-CA 3.46Å; Y347-P356 HydrophobicContact CD1-CB 3.85Å; Y347-P356 HydrophobicContact CD1-CG 3.79Å; Y347-P356 HydrophobicContact CE1-CB 3.7Å; Y347-P356 HydrophobicContact CE1-CG 3.62Å; Q354-P356 HydrophobicContact CB-CG 4.46Å; P356-I414 PolarHBondContact O-N 3.06Å
357	I	93.2	Very high	92.7	Very high	14 Å²	14	49 Å²	49	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.8	171.4	-68.9	158.8	0	0	0	107.5	V30 E31 I346 A411 E412 L413	V30-I357 HydrophobicContact CB-CD1 3.84Å; V30-I357 HydrophobicContact CG2-CD1 3.26Å; E31-I357 HydrophobicContact CB-CD1 4.19Å; I346-I357 HydrophobicContact CB-CB 4.38Å; I346-I357 PolarHBondContact N-O 3.46Å; I346-I357 PolarHBondContact O-N 3.09Å; I357-A411 HydrophobicContact CG2-CB 3.92Å; I357-E412 CarbonylContact C-O 3.59Å; I357-E412 WeakPolarHBondContact CA-O 3.41Å; I357-L413 HydrophobicContact CG1-CD1 3.84Å
358	V	95.6	Very high	92.8	Very high	1 Å²	1	49 Å²	49	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.3	177.8	-70.8	0	0	0	0	111.3	R343 A344 H345 A411 E412 I414	R343-V358 HydrophobicContact CB-CB 4.42Å; A344-V358 CarbonylContact O-C 3.55Å; A344-V358 VanDerWaalsContact O-CA 3.31Å; A344-V358 WeakPolarHBondContact O-CA 3.36Å; H345-V358 WeakPolarHBondContact ND1-CG1 3.47Å; V358-A411 CarbonylContact O-C 3.57Å; V358-A411 WeakPolarHBondContact O-CA 3.17Å; V358-E412 HydrophobicContact CG2-CB 4.03Å; V358-E412 WeakPolarHBondContact CG2-O 3.46Å; V358-E412 PolarHBondContact N-O 2.99Å; V358-E412 PolarHBondContact O-N 2.74Å; V358-I414 HydrophobicContact CB-CG1 4.5Å; V358-I414 HydrophobicContact CG1-CD1 3.41Å; V358-I414 VanDerWaalsContact CG1-CD1 3.41Å; V358-I414 HydrophobicContact CG1-CG1 3.82Å; V358-I414 HydrophobicContact CG2-CD1 4.4Å; V358-I414 HydrophobicContact CG2-CG1 3.89Å
359	L	96.4	Very high	93	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.2	168.4	-54.8	-173.3	0	0	0	107.9	F33 I336 R343 A344 I346 I379 T381 W391 A411	F33-L359 HydrophobicContact CB-CD2 4.04Å; I336-L359 HydrophobicContact CD1-CD1 3.79Å; R343-L359 VanDerWaalsContact CA-O 3.3Å; R343-L359 WeakPolarHBondContact CA-O 3.33Å; A344-L359 HydrophobicContact CB-CB 4.1Å; A344-L359 HydrophobicContact CB-CD1 4.26Å; A344-L359 HydrophobicContact CB-CG 4.37Å; A344-L359 PolarHBondContact N-O 3.09Å; A344-L359 VanDerWaalsContact N-O 3.12Å; A344-L359 PolarHBondContact O-N 3.04Å; I346-L359 HydrophobicContact CD1-CD1 4.14Å; I346-L359 HydrophobicContact CD1-CD2 3.99Å; I346-L359 HydrophobicContact CD1-CG 3.98Å; L359-I379 HydrophobicContact CD1-CD1 4.37Å; L359-I379 HydrophobicContact CD1-CG2 4.41Å; L359-T381 HydrophobicContact CD1-CG2 4.2Å; L359-W391 HydrophobicContact CB-CD2 4.33Å; L359-W391 HydrophobicContact CB-CE3 4.25Å; L359-W391 HydrophobicContact CB-CH2 3.62Å; L359-W391 HydrophobicContact CB-CZ2 3.69Å; L359-W391 HydrophobicContact CB-CZ3 3.88Å; L359-W391 HydrophobicContact CD1-CD2 3.87Å; L359-W391 HydrophobicContact CD1-CE3 4.29Å; L359-W391 HydrophobicContact CD1-CG 4.09Å; L359-W391 HydrophobicContact CD1-CZ2 4.46Å; L359-W391 HydrophobicContact CD2-CD2 4.41Å; L359-W391 HydrophobicContact CD2-CE3 3.99Å; L359-W391 HydrophobicContact CD2-CZ3 4.15Å; L359-W391 HydrophobicContact CG-CD2 4.44Å; L359-W391 HydrophobicContact CG-CE3 4.41Å; L359-W391 HydrophobicContact CG-CZ3 4.47Å; L359-A411 HydrophobicContact CD2-CB 3.79Å
360	S	94.4	Very high	93.2	Very high	14 Å²	14	47.9 Å²	47.9	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.2	-177.1	-59.7	0	0	0	0	110.9	R343 G409 L410	R343-S360 VanDerWaalsContact CZ-OG 3.29Å; R343-S360 PolarHBondContact NE-OG 2.86Å; S360-G409 CarbonylContact O-C 3.38Å; S360-G409 WeakPolarHBondContact O-CA 3.29Å; S360-L410 PolarHBondContact N-O 3.36Å; S360-L410 PolarHBondContact O-N 3.01Å
361	G	92.5	Very high	93.5	Very high	31 Å²	31	45.8 Å²	45.8	32%	0.32	21%	0.212	S	C	.	.			trans	158	-24.1	176.6	0	0	0	0	0	114.3	A408	G361-A408 WeakPolarHBondContact CA-O 3.22Å
362	H	95.9	Very high	93.7	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	19%	0.187	C	C	.	.			trans	-66.2	153.1	174.5	-74.7	-75	0	0	0	112.4	V366 T381 S383 F389	H362-V366 HydrophobicContact CB-CG2 3.9Å; H362-V366 VanDerWaalsContact CD2-CG2 3.45Å; H362-V366 WeakPolarHBondContact CD2-CG2 3.39Å; H362-T381 PolarHBondContact NE2-OG1 2.72Å; H362-S383 WeakPolarHBondContact ND1-CB 3.49Å; H362-F389 AromaticContact CE1-CD1 3.49Å; H362-F389 VanDerWaalsContact CE1-CD1 3.49Å; H362-F389 WeakPolarHBondContact CE1-CD1 3.08Å; H362-F389 AromaticContact CE1-CE1 3.98Å; H362-F389 AromaticContact CE1-CG 3.54Å; H362-F389 AromaticContact ND1-CD1 3.97Å; H362-F389 AromaticContact ND1-CE1 4Å; H362-F389 AromaticContact NE2-CD2 3.93Å; H362-F389 AromaticContact NE2-CG 3.67Å
363	T	94.9	Very high	93.8	Very high	74 Å²	74	36.3 Å²	36.3	45%	0.454	18%	0.176	S	C	.	.	S	Bend	trans	-98.8	-12.9	178.4	60.6	0	0	0	0	113.5	R342 Q387	R342-T363 WeakPolarHBondContact CD-O 3.4Å; R342-T363 PolarHBondContact NH1-O 2.98Å; T363-Q387 VanDerWaalsContact OG1-CD 3.23Å; T363-Q387 PolarHBondContact OG1-NE2 3.42Å; T363-Q387 PolarHBondContact OG1-OE1 3.27Å
364	G	94.6	Very high	93.8	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	16%	0.159	C	C	.	.	S	Bend	trans	-131.8	-176.5	180	0	0	0	0	0	113.1	R342 V366 D384	R342-G364 WeakPolarHBondContact CA-O 3.29Å; R342-G364 WeakPolarHBondContact CB-O 3.3Å; R342-G364 WeakPolarHBondContact CG-O 3.45Å; G364-V366 PolarHBondContact O-N 3.42Å; G364-D384 VanDerWaalsContact CA-OD1 3.3Å; G364-D384 WeakPolarHBondContact CA-OD1 3.44Å
365	E	97.2	Very high	93.9	Very high	28 Å²	28	27 Å²	27	13%	0.131	16%	0.156	C	C	.	.			trans	-59.1	126.9	177.6	168.7	171.8	112.2	0	0	110.1	S321 V324 S340 S367 S383 D384	S321-E365 VanDerWaalsContact CB-OE1 3.32Å; S321-E365 WeakPolarHBondContact CB-OE1 3.49Å; S321-E365 PolarHBondContact OG-OE1 3.33Å; V324-E365 HydrophobicContact CG2-CG 4.02Å; V324-E365 WeakPolarHBondContact CG2-OE1 3.31Å; S340-E365 VanDerWaalsContact CB-OE2 3.24Å; S340-E365 WeakPolarHBondContact CB-OE2 3.39Å; S340-E365 PolarHBondContact OG-OE2 3.06Å; E365-S367 PolarHBondContact O-N 3.46Å; E365-S367 VanDerWaalsContact O-N 3.11Å; E365-S383 CarbonylContact O-C 3.54Å; E365-S383 WeakPolarHBondContact O-CA 3.2Å; E365-D384 PolarHBondContact N-OD1 3.13Å; E365-D384 PolarHBondContact O-N 3.07Å
366	V	98	Very high	94	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	102.7	173.6	-179.9	0	0	0	0	108.1	G338 S339 R343 A344 H362 G364 L382	G338-V366 CarbonylContact C-O 3.51Å; G338-V366 WeakPolarHBondContact CA-O 3.21Å; S339-V366 PolarHBondContact N-O 2.73Å; S339-V366 VanDerWaalsContact N-O 3.08Å; S339-V366 PolarHBondContact O-N 2.97Å; R343-V366 WeakPolarHBondContact O-CB 3.11Å; A344-V366 HydrophobicContact CB-CG1 4.21Å; H362-V366 HydrophobicContact CB-CG2 3.9Å; H362-V366 VanDerWaalsContact CD2-CG2 3.45Å; H362-V366 WeakPolarHBondContact CD2-CG2 3.39Å; G364-V366 PolarHBondContact O-N 3.42Å; V366-L382 CarbonylContact C-O 3.5Å; V366-L382 WeakPolarHBondContact CA-O 3.24Å; V366-L382 WeakPolarHBondContact CG1-O 3.48Å
367	S	96.7	Very high	94	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-47.6	-178.1	62	0	0	0	0	111.7	P53 V324 K325 E365 L382	P53-S367 PolarHBondContact O-OG 3.28Å; P53-S367 VanDerWaalsContact O-OG 3.13Å; V324-S367 CarbonylContact C-O 3.55Å; V324-S367 VanDerWaalsContact CA-O 3.3Å; V324-S367 WeakPolarHBondContact CA-O 3.3Å; K325-S367 PolarHBondContact N-O 3.21Å; E365-S367 PolarHBondContact O-N 3.46Å; E365-S367 VanDerWaalsContact O-N 3.11Å; S367-L382 PolarHBondContact N-O 3.26Å; S367-L382 PolarHBondContact OG-O 3.43Å
368	V	98	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	111.8	-170.1	-173.2	0	0	0	0	112.3	F54 K325 R370 T381 L382	F54-V368 WeakPolarHBondContact O-CG2 3.42Å; K325-V368 HydrophobicContact CB-CB 4.48Å; K325-V368 HydrophobicContact CB-CG1 4.24Å; K325-V368 HydrophobicContact CB-CG2 4.23Å; K325-V368 HydrophobicContact CD-CG1 4.21Å; K325-V368 HydrophobicContact CD-CG2 3.86Å; K325-V368 HydrophobicContact CG-CG2 4.14Å; V368-R370 HydrophobicContact CG1-CG 4.02Å; V368-T381 CarbonylContact O-C 3.42Å; V368-T381 VanDerWaalsContact O-CA 3.31Å; V368-T381 WeakPolarHBondContact O-CA 3.45Å; V368-L382 HydrophobicContact CB-CB 4.12Å; V368-L382 HydrophobicContact CB-CD1 3.95Å; V368-L382 HydrophobicContact CB-CG 4.3Å; V368-L382 HydrophobicContact CG1-CD1 4.43Å; V368-L382 HydrophobicContact CG2-CD1 4.44Å; V368-L382 PolarHBondContact N-O 3.04Å; V368-L382 PolarHBondContact O-N 3.17Å
369	P	98	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140	162.3	35.7	-34	0	0	0	111.8	K325 I336 V380 T381	K325-P369 WeakPolarHBondContact O-CD 3.17Å; I336-P369 HydrophobicContact CB-CB 4.33Å; I336-P369 HydrophobicContact CD1-CB 3.71Å; I336-P369 HydrophobicContact CG1-CB 3.66Å; I336-P369 HydrophobicContact CG1-CG 4.06Å; I336-P369 HydrophobicContact CG2-CB 3.8Å; I336-P369 HydrophobicContact CG2-CG 4.01Å; P369-V380 CarbonylContact C-O 3.52Å; P369-V380 WeakPolarHBondContact CA-O 3.27Å; P369-T381 HydrophobicContact CB-CG2 4.16Å
370	R	97.8	Very high	94.1	Very high	30 Å²	30	21.8 Å²	21.8	11%	0.113	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.7	173.5	-67.5	-63.6	175.9	-113.5	20	111.1	C56 F58 D279 L326 D327 V368 I379 V380	C56-R370 WeakPolarHBondContact SG-CG 2.96Å; F58-R370 HydrophobicContact CD2-CB 4.41Å; F58-R370 HydrophobicContact CE2-CB 4.16Å; D279-R370 IonicContact OD2-NH1 3.41Å; D279-R370 IonicContact OD2-NH2 3.47Å; D279-R370 PolarHBondContact OD2-NH2 2.86Å; L326-R370 PolarHBondContact O-NH1 3.05Å; D327-R370 WeakPolarHBondContact OD2-CA 3.5Å; V368-R370 HydrophobicContact CG1-CG 4.02Å; R370-I379 CarbonylContact O-C 3.59Å; R370-I379 WeakPolarHBondContact O-CA 3.44Å; R370-V380 PolarHBondContact N-O 2.9Å; R370-V380 PolarHBondContact O-N 2.6Å
371	W	96.4	Very high	94.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.8	167.8	-73.9	75.9	0	0	0	109.9	I28 V30 F33 D327 I336 K373 P376 I379	I28-W371 HydrophobicContact CD1-CH2 4.36Å; I28-W371 HydrophobicContact CD1-CZ3 3.86Å; I28-W371 HydrophobicContact CG2-CH2 3.51Å; I28-W371 HydrophobicContact CG2-CZ3 3.65Å; V30-W371 HydrophobicContact CG1-CH2 3.94Å; V30-W371 HydrophobicContact CG1-CZ2 4.3Å; F33-W371 AromaticContact CE2-CH2 3.76Å; F33-W371 HydrophobicContact CE2-CH2 3.76Å; F33-W371 HydrophobicContact CE2-CZ3 4.18Å; F33-W371 AromaticContact CZ-CH2 3.83Å; F33-W371 HydrophobicContact CZ-CH2 3.83Å; F33-W371 AromaticContact CZ-CZ3 3.79Å; F33-W371 HydrophobicContact CZ-CZ3 3.79Å; D327-W371 PolarHBondContact OD2-N 2.75Å; I336-W371 VanDerWaalsContact CG2-CD1 3.45Å; W371-K373 PolarHBondContact O-N 3.18Å; W371-P376 WeakPolarHBondContact CZ3-O 3.22Å; W371-I379 HydrophobicContact CD2-CD1 4.06Å; W371-I379 HydrophobicContact CD2-CG1 3.74Å; W371-I379 HydrophobicContact CE3-CD1 4.3Å; W371-I379 HydrophobicContact CE3-CG1 3.91Å; W371-I379 HydrophobicContact CG-CG1 4.23Å; W371-I379 HydrophobicContact CH2-CD1 3.73Å; W371-I379 HydrophobicContact CH2-CG1 4.24Å; W371-I379 HydrophobicContact CZ2-CD1 3.47Å; W371-I379 VanDerWaalsContact CZ2-CD1 3.47Å; W371-I379 HydrophobicContact CZ2-CG1 4.11Å; W371-I379 HydrophobicContact CZ3-CD1 4.16Å; W371-I379 HydrophobicContact CZ3-CG1 4.17Å
372	C	94	Very high	94.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.			trans	-69.6	126.6	164	-178.5	0	0	0	0	108.5	F58 T63 P330 D375 R378	F58-C372 HydrophobicContact CD1-CB 4.23Å; F58-C372 HydrophobicContact CD2-CB 4.31Å; F58-C372 HydrophobicContact CE1-CB 3.89Å; F58-C372 HydrophobicContact CE2-CB 3.98Å; F58-C372 HydrophobicContact CG-CB 4.42Å; F58-C372 HydrophobicContact CZ-CB 3.75Å; T63-C372 PolarHBondContact O-SG 3.02Å; P330-C372 WeakPolarHBondContact CG-O 3.3Å; C372-D375 HydrophobicContact CB-CB 4.43Å; C372-D375 WeakPolarHBondContact CB-O 3.22Å; C372-D375 CarbonylContact O-C 3.49Å; C372-D375 PolarHBondContact SG-N 3.09Å; C372-D375 VanDerWaalsContact SG-N 3.4Å; C372-R378 HydrophobicContact CB-CB 4.06Å; C372-R378 PolarHBondContact N-O 2.7Å
373	K	87.4	Confident	94.6	Very high	112 Å²	112	19.1 Å²	19.1	49%	0.487	11%	0.11	S	C	.	.	S	Bend	trans	-78.4	-26.8	-178.8	-57.8	-56.7	-178.8	-170.5	0	112.4	D327 I328 P330 W371	D327-K373 IonicContact OD1-NZ 2.86Å; D327-K373 PolarHBondContact OD1-NZ 2.72Å; D327-K373 IonicContact OD2-NZ 3.5Å; D327-K373 PolarHBondContact OD2-NZ 2.76Å; I328-K373 PolarHBondContact O-NZ 3.4Å; P330-K373 HydrophobicContact CG-CD 4.19Å; W371-K373 PolarHBondContact O-N 3.18Å
374	G	85.7	Confident	94.6	Very high	50 Å²	50	18.2 Å²	18.2	52%	0.515	10%	0.103	S	C	.	.	S	Bend	trans	-84	-27.3	176	0	0	0	0	0	114.2
375	D	88.5	Confident	94.6	Very high	32 Å²	32	22.2 Å²	22.2	17%	0.171	12%	0.12	C	C	.	.			trans	-128.9	97.1	177.1	178.3	7.1	0	0	0	109.8	C372 T377 R378	C372-D375 HydrophobicContact CB-CB 4.43Å; C372-D375 WeakPolarHBondContact CB-O 3.22Å; C372-D375 CarbonylContact O-C 3.49Å; C372-D375 PolarHBondContact SG-N 3.09Å; C372-D375 VanDerWaalsContact SG-N 3.4Å; D375-T377 VanDerWaalsContact CG-OG1 3.29Å; D375-T377 PolarHBondContact O-N 3.15Å; D375-T377 WeakPolarHBondContact OD1-CA 3.35Å; D375-T377 VanDerWaalsContact OD1-CB 3.3Å; D375-T377 WeakPolarHBondContact OD1-CB 3.47Å; D375-T377 PolarHBondContact OD1-N 3.35Å; D375-T377 PolarHBondContact OD1-OG1 3.18Å; D375-T377 PolarHBondContact OD2-OG1 3.43Å; D375-R378 HydrophobicContact CB-CB 4.48Å; D375-R378 PolarHBondContact O-N 3.37Å; D375-R378 VanDerWaalsContact O-N 3.12Å; D375-R378 IonicContact OD2-CZ 3.96Å; D375-R378 IonicContact OD2-NE 3.65Å; D375-R378 IonicContact OD2-NH2 2.87Å; D375-R378 PolarHBondContact OD2-NH2 2.99Å
376	P	88.1	Confident	94.5	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.091	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.2	179.3	30.5	-35.7	0	0	0	112.6	L25 I28 P330 W371 R378	L25-P376 HydrophobicContact CD2-CG 4.03Å; I28-P376 HydrophobicContact CD1-CB 3.86Å; I28-P376 HydrophobicContact CG1-CB 4.17Å; P330-P376 HydrophobicContact CG-CB 4.07Å; W371-P376 WeakPolarHBondContact CZ3-O 3.22Å; P376-R378 VanDerWaalsContact C-N 3.25Å
377	T	90	Very high	94.4	Very high	31 Å²	31	22.4 Å²	22.4	19%	0.19	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6.4	174.5	76.2	0	0	0	0	112.8	P26 F33 D375 N392 M393	P26-T377 HydrophobicContact CG-CG2 3.97Å; F33-T377 WeakPolarHBondContact CE1-O 3.38Å; D375-T377 VanDerWaalsContact CG-OG1 3.29Å; D375-T377 PolarHBondContact O-N 3.15Å; D375-T377 WeakPolarHBondContact OD1-CA 3.35Å; D375-T377 VanDerWaalsContact OD1-CB 3.3Å; D375-T377 WeakPolarHBondContact OD1-CB 3.47Å; D375-T377 PolarHBondContact OD1-N 3.35Å; D375-T377 PolarHBondContact OD1-OG1 3.18Å; D375-T377 PolarHBondContact OD2-OG1 3.43Å; T377-N392 CarbonylContact O-C 3.56Å; T377-N392 WeakPolarHBondContact O-CA 3.07Å; T377-M393 HydrophobicContact CG2-CE 3.59Å; T377-M393 PolarHBondContact O-N 2.72Å
378	R	93.3	Very high	94.5	Very high	17 Å²	17	22.4 Å²	22.4	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.1	-177.4	-167.4	174.9	-53.6	142	18.5	114	D64 T80 C372 D375 P376 V390 W391 N392	D64-R378 IonicContact OD1-CZ 3.51Å; D64-R378 IonicContact OD1-NH1 2.94Å; D64-R378 PolarHBondContact OD1-NH1 3.15Å; D64-R378 IonicContact OD1-NH2 3.71Å; T80-R378 PolarHBondContact OG1-NH1 3.04Å; C372-R378 HydrophobicContact CB-CB 4.06Å; C372-R378 PolarHBondContact N-O 2.7Å; D375-R378 HydrophobicContact CB-CB 4.48Å; D375-R378 PolarHBondContact O-N 3.37Å; D375-R378 VanDerWaalsContact O-N 3.12Å; D375-R378 IonicContact OD2-CZ 3.96Å; D375-R378 IonicContact OD2-NE 3.65Å; D375-R378 IonicContact OD2-NH2 2.87Å; D375-R378 PolarHBondContact OD2-NH2 2.99Å; P376-R378 VanDerWaalsContact C-N 3.25Å; R378-V390 HydrophobicContact CG-CG1 3.93Å; R378-W391 VanDerWaalsContact CA-O 3.3Å; R378-W391 WeakPolarHBondContact CA-O 3.1Å; R378-N392 WeakPolarHBondContact CG-OD1 3.21Å; R378-N392 PolarHBondContact NE-OD1 2.83Å; R378-N392 VanDerWaalsContact NE-OD1 3.11Å
379	I	96.8	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	174.5	-58.6	169.7	0	0	0	108.5	F33 I336 I346 L359 R370 W371 T381 W391	F33-I379 HydrophobicContact CD1-CD1 4.13Å; F33-I379 HydrophobicContact CD1-CG1 4.4Å; F33-I379 HydrophobicContact CD2-CD1 4.06Å; F33-I379 HydrophobicContact CE1-CB 4.43Å; F33-I379 HydrophobicContact CE1-CD1 3.74Å; F33-I379 HydrophobicContact CE1-CG1 3.75Å; F33-I379 HydrophobicContact CE2-CD1 3.73Å; F33-I379 HydrophobicContact CE2-CG1 4.5Å; F33-I379 HydrophobicContact CG-CD1 4.28Å; F33-I379 HydrophobicContact CZ-CD1 3.55Å; F33-I379 HydrophobicContact CZ-CG1 3.83Å; I336-I379 HydrophobicContact CD1-CD1 4.23Å; I336-I379 HydrophobicContact CD1-CG2 3.82Å; I346-I379 HydrophobicContact CD1-CD1 4.21Å; L359-I379 HydrophobicContact CD1-CD1 4.37Å; L359-I379 HydrophobicContact CD1-CG2 4.41Å; R370-I379 CarbonylContact O-C 3.59Å; R370-I379 WeakPolarHBondContact O-CA 3.44Å; W371-I379 HydrophobicContact CD2-CD1 4.06Å; W371-I379 HydrophobicContact CD2-CG1 3.74Å; W371-I379 HydrophobicContact CE3-CD1 4.3Å; W371-I379 HydrophobicContact CE3-CG1 3.91Å; W371-I379 HydrophobicContact CG-CG1 4.23Å; W371-I379 HydrophobicContact CH2-CD1 3.73Å; W371-I379 HydrophobicContact CH2-CG1 4.24Å; W371-I379 HydrophobicContact CZ2-CD1 3.47Å; W371-I379 VanDerWaalsContact CZ2-CD1 3.47Å; W371-I379 HydrophobicContact CZ2-CG1 4.11Å; W371-I379 HydrophobicContact CZ3-CD1 4.16Å; W371-I379 HydrophobicContact CZ3-CG1 4.17Å; I379-T381 HydrophobicContact CG2-CG2 4.16Å; I379-W391 HydrophobicContact CB-CB 4.17Å; I379-W391 PolarHBondContact N-O 3.34Å; I379-W391 PolarHBondContact O-N 3.17Å
380	V	98	Very high	94.4	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.5	165.6	170.8	0	0	0	0	109.3	F58 I66 T80 P369 R370 L382 F389 V390	F58-V380 HydrophobicContact CE1-CG2 4.43Å; F58-V380 HydrophobicContact CE2-CB 4.38Å; F58-V380 HydrophobicContact CE2-CG2 4.31Å; F58-V380 HydrophobicContact CZ-CB 4.16Å; F58-V380 HydrophobicContact CZ-CG2 3.61Å; I66-V380 HydrophobicContact CD1-CB 3.83Å; I66-V380 HydrophobicContact CD1-CG1 3.83Å; I66-V380 HydrophobicContact CD1-CG2 3.91Å; T80-V380 HydrophobicContact CG2-CG2 4.08Å; P369-V380 CarbonylContact C-O 3.52Å; P369-V380 WeakPolarHBondContact CA-O 3.27Å; R370-V380 PolarHBondContact N-O 2.9Å; R370-V380 PolarHBondContact O-N 2.6Å; V380-L382 HydrophobicContact CG1-CD2 4.14Å; V380-F389 WeakPolarHBondContact CA-O 3.27Å; V380-V390 HydrophobicContact CG2-CB 4.5Å; V380-V390 HydrophobicContact CG2-CG2 3.88Å
381	T	98.4	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.3	172.6	57.9	0	0	0	0	110.2	A344 L359 H362 V368 P369 I379 A388 F389 W391	A344-T381 HydrophobicContact CB-CG2 4.04Å; L359-T381 HydrophobicContact CD1-CG2 4.2Å; H362-T381 PolarHBondContact NE2-OG1 2.72Å; V368-T381 CarbonylContact O-C 3.42Å; V368-T381 VanDerWaalsContact O-CA 3.31Å; V368-T381 WeakPolarHBondContact O-CA 3.45Å; P369-T381 HydrophobicContact CB-CG2 4.16Å; I379-T381 HydrophobicContact CG2-CG2 4.16Å; T381-A388 WeakPolarHBondContact O-CA 3.3Å; T381-F389 PolarHBondContact N-O 3.1Å; T381-F389 PolarHBondContact O-N 3.3Å; T381-W391 PolarHBondContact OG1-NE1 3.22Å
382	L	98	Very high	94.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.5	179.8	-57.1	178	0	0	0	110.5	P53 C56 I68 V366 S367 V368 V380 Q387 A388	P53-L382 HydrophobicContact CB-CB 4.33Å; P53-L382 HydrophobicContact CB-CD1 3.94Å; P53-L382 HydrophobicContact CG-CB 3.72Å; P53-L382 HydrophobicContact CG-CD1 4.26Å; P53-L382 HydrophobicContact CG-CD2 4.42Å; P53-L382 HydrophobicContact CG-CG 4.36Å; C56-L382 HydrophobicContact CB-CD1 3.65Å; C56-L382 VanDerWaalsContact SG-CD1 3.51Å; I68-L382 HydrophobicContact CD1-CD2 3.9Å; I68-L382 HydrophobicContact CG1-CD2 4.3Å; I68-L382 HydrophobicContact CG2-CD1 4.09Å; I68-L382 HydrophobicContact CG2-CD2 4.22Å; V366-L382 CarbonylContact C-O 3.5Å; V366-L382 WeakPolarHBondContact CA-O 3.24Å; V366-L382 WeakPolarHBondContact CG1-O 3.48Å; S367-L382 PolarHBondContact N-O 3.26Å; S367-L382 PolarHBondContact OG-O 3.43Å; V368-L382 HydrophobicContact CB-CB 4.12Å; V368-L382 HydrophobicContact CB-CD1 3.95Å; V368-L382 HydrophobicContact CB-CG 4.3Å; V368-L382 HydrophobicContact CG1-CD1 4.43Å; V368-L382 HydrophobicContact CG2-CD1 4.44Å; V368-L382 PolarHBondContact N-O 3.04Å; V368-L382 PolarHBondContact O-N 3.17Å; V380-L382 HydrophobicContact CG1-CD2 4.14Å; L382-Q387 CarbonylContact C-O 3.51Å; L382-Q387 WeakPolarHBondContact CA-O 3.38Å; L382-A388 HydrophobicContact CD2-CB 3.55Å
383	S	96.7	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150	180	158	0	0	0	0	111.5	P53 H362 E365 E385 S386 Q387	P53-S383 WeakPolarHBondContact CD-O 3.19Å; P53-S383 WeakPolarHBondContact CG-O 3.27Å; H362-S383 WeakPolarHBondContact ND1-CB 3.49Å; E365-S383 CarbonylContact O-C 3.54Å; E365-S383 WeakPolarHBondContact O-CA 3.2Å; S383-E385 PolarHBondContact O-N 3.33Å; S383-E385 PolarHBondContact OG-N 3.44Å; S383-S386 PolarHBondContact O-N 2.67Å; S383-Q387 PolarHBondContact N-O 3.35Å; S383-Q387 PolarHBondContact O-N 2.6Å
384	D	95.4	Very high	93.7	Very high	56 Å²	56	20.8 Å²	20.8	30%	0.299	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.4	177.9	68.7	-15.1	0	0	0	114.3	P52 G364 E365 S386	P52-D384 HydrophobicContact CB-CB 4.43Å; P52-D384 WeakPolarHBondContact CG-O 3.45Å; G364-D384 VanDerWaalsContact CA-OD1 3.3Å; G364-D384 WeakPolarHBondContact CA-OD1 3.44Å; E365-D384 PolarHBondContact N-OD1 3.13Å; E365-D384 PolarHBondContact O-N 3.07Å; D384-S386 PolarHBondContact O-N 2.7Å
385	E	95.1	Very high	92.9	Very high	89 Å²	89	22.6 Å²	22.6	42%	0.416	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	30.6	170.9	-64.4	-66.6	170.9	0	0	112.8	N50 S383 Q387	N50-E385 PolarHBondContact ND2-OE2 3.38Å; S383-E385 PolarHBondContact O-N 3.33Å; S383-E385 PolarHBondContact OG-N 3.44Å; E385-Q387 VanDerWaalsContact C-N 3.26Å; E385-Q387 HydrophobicContact CB-CG 4.25Å; E385-Q387 WeakPolarHBondContact O-CG 3.23Å; E385-Q387 PolarHBondContact O-N 3.2Å
386	S	95.1	Very high	91.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	36.8	-176.4	-74.7	0	0	0	0	114.1	H42 L43 N50 S51 S383 D384	H42-S386 CarbonylContact C-O 3.54Å; H42-S386 WeakPolarHBondContact CA-O 3.42Å; L43-S386 WeakPolarHBondContact CB-O 3.26Å; L43-S386 PolarHBondContact N-O 3.44Å; N50-S386 WeakPolarHBondContact OD1-CB 3.38Å; N50-S386 PolarHBondContact OD1-OG 3.46Å; S51-S386 WeakPolarHBondContact CA-OG 3.44Å; S51-S386 PolarHBondContact N-OG 2.97Å; S51-S386 PolarHBondContact O-OG 3.17Å; S383-S386 PolarHBondContact O-N 2.67Å; D384-S386 PolarHBondContact O-N 2.7Å
387	Q	95.7	Very high	90	Very high	32 Å²	32	25.9 Å²	25.9	15%	0.15	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.8	178.8	-48	-176.8	-65.6	0	0	111.3	Y41 T363 L382 S383 E385 F389	Y41-Q387 CarbonylContact O-C 3.58Å; Y41-Q387 WeakPolarHBondContact O-CA 3.39Å; T363-Q387 VanDerWaalsContact OG1-CD 3.23Å; T363-Q387 PolarHBondContact OG1-NE2 3.42Å; T363-Q387 PolarHBondContact OG1-OE1 3.27Å; L382-Q387 CarbonylContact C-O 3.51Å; L382-Q387 WeakPolarHBondContact CA-O 3.38Å; S383-Q387 PolarHBondContact N-O 3.35Å; S383-Q387 PolarHBondContact O-N 2.6Å; E385-Q387 VanDerWaalsContact C-N 3.26Å; E385-Q387 HydrophobicContact CB-CG 4.25Å; E385-Q387 WeakPolarHBondContact O-CG 3.23Å; E385-Q387 PolarHBondContact O-N 3.2Å; Q387-F389 HydrophobicContact CB-CD1 4.4Å; Q387-F389 HydrophobicContact CB-CE1 4.12Å
388	A	97.2	Very high	88.3	Confident	3 Å²	3	34.2 Å²	34.2	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.6	171.6	0	0	0	0	0	109.6	Y41 L43 I68 T381 L382	Y41-A388 WeakPolarHBondContact CD2-O 3.36Å; Y41-A388 PolarHBondContact N-O 3.17Å; Y41-A388 PolarHBondContact O-N 3.43Å; L43-A388 HydrophobicContact CD1-CB 4.39Å; L43-A388 HydrophobicContact CD2-CB 3.82Å; L43-A388 HydrophobicContact CG-CB 4.16Å; I68-A388 HydrophobicContact CD1-CB 4.02Å; T381-A388 WeakPolarHBondContact O-CA 3.3Å; L382-A388 HydrophobicContact CD2-CB 3.55Å
389	F	97.5	Very high	86.6	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.8	-179.8	-78.7	27.2	0	0	0	108.9	C35 A40 H362 V380 T381 Q387 W391 A408	C35-F389 HydrophobicContact CB-CB 4.45Å; C35-F389 HydrophobicContact CB-CD2 4.02Å; A40-F389 HydrophobicContact CB-CD1 3.68Å; A40-F389 HydrophobicContact CB-CE1 3.49Å; A40-F389 VanDerWaalsContact CB-CE1 3.49Å; A40-F389 HydrophobicContact CB-CE2 4.36Å; A40-F389 HydrophobicContact CB-CG 4.22Å; A40-F389 HydrophobicContact CB-CZ 3.86Å; H362-F389 AromaticContact CE1-CD1 3.49Å; H362-F389 VanDerWaalsContact CE1-CD1 3.49Å; H362-F389 WeakPolarHBondContact CE1-CD1 3.08Å; H362-F389 AromaticContact CE1-CE1 3.98Å; H362-F389 AromaticContact CE1-CG 3.54Å; H362-F389 AromaticContact ND1-CD1 3.97Å; H362-F389 AromaticContact ND1-CE1 4Å; H362-F389 AromaticContact NE2-CD2 3.93Å; H362-F389 AromaticContact NE2-CG 3.67Å; V380-F389 WeakPolarHBondContact CA-O 3.27Å; T381-F389 PolarHBondContact N-O 3.1Å; T381-F389 PolarHBondContact O-N 3.3Å; Q387-F389 HydrophobicContact CB-CD1 4.4Å; Q387-F389 HydrophobicContact CB-CE1 4.12Å; F389-W391 HydrophobicContact CB-CZ2 4.27Å; F389-W391 HydrophobicContact CD2-CH2 4.35Å; F389-W391 AromaticContact CD2-CZ2 3.79Å; F389-W391 HydrophobicContact CD2-CZ2 3.79Å; F389-A408 HydrophobicContact CE2-CB 4.01Å; F389-A408 HydrophobicContact CZ-CB 4.15Å
390	V	97.1	Very high	85.1	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.6	167	179.4	0	0	0	0	107.8	C35 Q39 Y41 T80 R378 V380	C35-V390 PolarHBondContact SG-O 3.21Å; Q39-V390 HydrophobicContact CB-CB 4.27Å; Q39-V390 PolarHBondContact O-N 3.03Å; Y41-V390 HydrophobicContact CD2-CG2 4.44Å; Y41-V390 HydrophobicContact CE2-CB 4.46Å; Y41-V390 HydrophobicContact CE2-CG2 3.71Å; T80-V390 HydrophobicContact CG2-CG2 3.95Å; R378-V390 HydrophobicContact CG-CG1 3.93Å; V380-V390 HydrophobicContact CG2-CB 4.5Å; V380-V390 HydrophobicContact CG2-CG2 3.88Å
391	W	96	Very high	83.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.2	177	-52.6	78.2	0	0	0	108.8	F33 E34 C35 L359 R378 I379 T381 F389 G409	F33-W391 HydrophobicContact CB-CB 4.42Å; F33-W391 HydrophobicContact CD1-CB 3.83Å; F33-W391 HydrophobicContact CG-CB 4.5Å; E34-W391 WeakPolarHBondContact O-CA 3.24Å; C35-W391 HydrophobicContact CB-CD2 3.91Å; C35-W391 HydrophobicContact CB-CE3 3.84Å; C35-W391 HydrophobicContact CB-CG 4.45Å; C35-W391 HydrophobicContact CB-CH2 4.36Å; C35-W391 HydrophobicContact CB-CZ2 4.44Å; C35-W391 HydrophobicContact CB-CZ3 4.09Å; L359-W391 HydrophobicContact CB-CD2 4.33Å; L359-W391 HydrophobicContact CB-CE3 4.25Å; L359-W391 HydrophobicContact CB-CH2 3.62Å; L359-W391 HydrophobicContact CB-CZ2 3.69Å; L359-W391 HydrophobicContact CB-CZ3 3.88Å; L359-W391 HydrophobicContact CD1-CD2 3.87Å; L359-W391 HydrophobicContact CD1-CE3 4.29Å; L359-W391 HydrophobicContact CD1-CG 4.09Å; L359-W391 HydrophobicContact CD1-CZ2 4.46Å; L359-W391 HydrophobicContact CD2-CD2 4.41Å; L359-W391 HydrophobicContact CD2-CE3 3.99Å; L359-W391 HydrophobicContact CD2-CZ3 4.15Å; L359-W391 HydrophobicContact CG-CD2 4.44Å; L359-W391 HydrophobicContact CG-CE3 4.41Å; L359-W391 HydrophobicContact CG-CZ3 4.47Å; R378-W391 VanDerWaalsContact CA-O 3.3Å; R378-W391 WeakPolarHBondContact CA-O 3.1Å; I379-W391 HydrophobicContact CB-CB 4.17Å; I379-W391 PolarHBondContact N-O 3.34Å; I379-W391 PolarHBondContact O-N 3.17Å; T381-W391 PolarHBondContact OG1-NE1 3.22Å; F389-W391 HydrophobicContact CB-CZ2 4.27Å; F389-W391 HydrophobicContact CD2-CH2 4.35Å; F389-W391 AromaticContact CD2-CZ2 3.79Å; F389-W391 HydrophobicContact CD2-CZ2 3.79Å; W391-G409 VanDerWaalsContact CZ3-C 3.46Å
392	N	92.8	Very high	82.3	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.107	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.9	173.2	-62.5	-67.7	0	0	0	109.9	F33 E34 Q39 T377 R378 F394	F33-N392 WeakPolarHBondContact CA-O 3.45Å; E34-N392 PolarHBondContact N-O 3.48Å; E34-N392 PolarHBondContact O-N 3.42Å; Q39-N392 PolarHBondContact NE2-ND2 2.88Å; Q39-N392 PolarHBondContact OE1-ND2 3.5Å; T377-N392 CarbonylContact O-C 3.56Å; T377-N392 WeakPolarHBondContact O-CA 3.07Å; R378-N392 WeakPolarHBondContact CG-OD1 3.21Å; R378-N392 PolarHBondContact NE-OD1 2.83Å; R378-N392 VanDerWaalsContact NE-OD1 3.11Å; N392-F394 HydrophobicContact CB-CD2 4.42Å; N392-F394 HydrophobicContact CB-CE2 3.74Å; N392-F394 HydrophobicContact CB-CZ 4.31Å; N392-F394 VanDerWaalsContact O-CD2 3.31Å; N392-F394 WeakPolarHBondContact O-CD2 3.24Å
393	M	89.1	Confident	81.2	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.4	177.4	-169.5	-179.2	70.6	0	0	110.7	P26 G29 N32 F33 T377 P395	P26-M393 HydrophobicContact CB-CE 4.31Å; P26-M393 HydrophobicContact CG-CE 4.28Å; G29-M393 PolarHBondContact N-SD 3.19Å; N32-M393 HydrophobicContact CB-CG 3.96Å; N32-M393 WeakPolarHBondContact O-CA 3.45Å; F33-M393 HydrophobicContact CD1-CB 4.34Å; F33-M393 HydrophobicContact CE1-CB 4.17Å; F33-M393 HydrophobicContact CZ-CB 4.31Å; T377-M393 HydrophobicContact CG2-CE 3.59Å; T377-M393 PolarHBondContact O-N 2.72Å; M393-P395 HydrophobicContact CE-CG 4.08Å; M393-P395 WeakPolarHBondContact O-CD 2.97Å
394	F	82.4	Confident	80.2	Confident	60 Å²	60	67.9 Å²	67.9	26%	0.263	35%	0.348	S	S	.	.			trans	-119.7	91.6	176.3	-68.2	-99.3	0	0	0	110.9	N32 E34 N392 A396 R397	N32-F394 PolarHBondContact O-N 2.66Å; E34-F394 VanDerWaalsContact CD-CD2 3.44Å; E34-F394 HydrophobicContact CG-CD2 3.31Å; E34-F394 HydrophobicContact CG-CE2 3.4Å; E34-F394 VanDerWaalsContact CG-CE2 3.4Å; E34-F394 HydrophobicContact CG-CG 4.27Å; E34-F394 HydrophobicContact CG-CZ 4.47Å; E34-F394 VanDerWaalsContact OE1-CD2 3.3Å; E34-F394 WeakPolarHBondContact OE1-CD2 3.38Å; E34-F394 VanDerWaalsContact OE1-CE2 3.29Å; E34-F394 WeakPolarHBondContact OE1-CE2 3.36Å; N392-F394 HydrophobicContact CB-CD2 4.42Å; N392-F394 HydrophobicContact CB-CE2 3.74Å; N392-F394 HydrophobicContact CB-CZ 4.31Å; N392-F394 VanDerWaalsContact O-CD2 3.31Å; N392-F394 WeakPolarHBondContact O-CD2 3.24Å; F394-A396 PolarHBondContact O-N 3.19Å; F394-A396 VanDerWaalsContact O-N 3.13Å; F394-R397 WeakPolarHBondContact O-CB 3.08Å; F394-R397 PolarHBondContact O-N 2.85Å
395	P	68.7	Low	79.5	Confident	87 Å²	87	66.7 Å²	66.7	57%	0.565	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-59	-28	-177	-26.3	35.2	0	0	0	114.7	M393 R397	M393-P395 HydrophobicContact CE-CG 4.08Å; M393-P395 WeakPolarHBondContact O-CD 2.97Å; P395-R397 PolarHBondContact O-N 3.2Å
396	A	59.9	Low	79	Confident	60 Å²	60	66.6 Å²	66.6	50%	0.496	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-76.8	-0.3	-176	0	0	0	0	0	114.5	F394 R398 Y399	F394-A396 PolarHBondContact O-N 3.19Å; F394-A396 VanDerWaalsContact O-N 3.13Å; A396-R398 PolarHBondContact O-N 2.8Å; A396-Y399 PolarHBondContact O-N 2.81Å
397	R	56.5	Low	78.7	Confident	55 Å²	55	68.2 Å²	68.2	21%	0.208	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-58.4	-20	-176.8	-147.8	176.1	-162.1	-111.6	-20.2	114.6	E34 F394 P395 Y399 L410	E34-R397 IonicContact OE2-CZ 2.88Å; E34-R397 IonicContact OE2-NE 3.6Å; E34-R397 PolarHBondContact OE2-NE 3.42Å; E34-R397 IonicContact OE2-NH2 3.69Å; F394-R397 WeakPolarHBondContact O-CB 3.08Å; F394-R397 PolarHBondContact O-N 2.85Å; P395-R397 PolarHBondContact O-N 3.2Å; R397-Y399 PolarHBondContact O-N 3.18Å; R397-Y399 VanDerWaalsContact O-N 3.08Å; R397-L410 VanDerWaalsContact CZ-CD2 3.46Å
398	R	55.4	Low	78.4	Confident	206 Å²	206	68.1 Å²	68.1	78%	0.777	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.4	-15.6	170.5	-71	-169.1	179.5	-174.3	1.4	113.4	A396	A396-R398 PolarHBondContact O-N 2.8Å
399	Y	56.1	Low	78.1	Confident	200 Å²	200	68.2 Å²	68.2	78%	0.784	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-20.5	-172.6	-55.9	-73.7	0	0	0	114.6	A396 R397	A396-Y399 PolarHBondContact O-N 2.81Å; R397-Y399 PolarHBondContact O-N 3.18Å; R397-Y399 VanDerWaalsContact O-N 3.08Å
400	T	65.6	Low	77.8	Confident	94 Å²	94	69.9 Å²	69.9	58%	0.577	37%	0.372	S	S	*	.			trans	-133.4	111.6	-178.5	57.3	0	0	0	0	110.5
401	L	69.5	Low	77.6	Confident	157 Å²	157	70.1 Å²	70.1	82%	0.822	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-75.1	132	168.3	-73.1	169	0	0	0	108.6
402	P	68	Low	77.3	Confident	32 Å²	32	74.5 Å²	74.5	21%	0.208	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.2	152.4	172.8	-25.3	38.4	0	0	0	111.3	L407	P402-L407 HydrophobicContact CB-CD1 3.67Å; P402-L407 HydrophobicContact CB-CD2 4.38Å; P402-L407 HydrophobicContact CB-CG 3.93Å; P402-L407 HydrophobicContact CG-CD1 3.76Å; P402-L407 HydrophobicContact CG-CD2 4.38Å; P402-L407 HydrophobicContact CG-CG 4.28Å
403	D	76.4	Confident	76.9	Confident	108 Å²	108	77.9 Å²	77.9	58%	0.578	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-66.9	146.4	-178.8	-70.8	-35.6	0	0	0	110.7	G405 E406	D403-G405 PolarHBondContact O-N 2.89Å; D403-E406 HydrophobicContact CB-CG 3.84Å; D403-E406 PolarHBondContact N-OE2 2.74Å; D403-E406 VanDerWaalsContact N-OE2 3.14Å; D403-E406 PolarHBondContact O-N 2.77Å
404	P	74.1	Confident	76.3	Confident	136 Å²	136	80.5 Å²	80.5	88%	0.883	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	116.6	178.7	-26.5	34.7	0	0	0	111.8
405	G	80.4	Confident	75.1	Confident	30 Å²	30	80.5 Å²	80.5	31%	0.309	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-2.6	-179.8	0	0	0	0	0	115.6	R37 D403 L407	R37-G405 WeakPolarHBondContact CD-O 3.44Å; R37-G405 PolarHBondContact NE-O 3.45Å; R37-G405 PolarHBondContact NH1-O 2.77Å; R37-G405 PolarHBondContact NH2-O 3.06Å; D403-G405 PolarHBondContact O-N 2.89Å; G405-L407 PolarHBondContact O-N 2.92Å
406	E	85.3	Confident	74.3	Confident	87 Å²	87	81.7 Å²	81.7	41%	0.407	44%	0.441	S	S	.	.	S	Bend	trans	-69.1	-25.4	173	-69.2	-169.9	137.6	0	0	112.9	R36 R37 D403	R36-E406 CarbonylContact C-O 3.6Å; R37-E406 PolarHBondContact N-O 2.88Å; D403-E406 HydrophobicContact CB-CG 3.84Å; D403-E406 PolarHBondContact N-OE2 2.74Å; D403-E406 VanDerWaalsContact N-OE2 3.14Å; D403-E406 PolarHBondContact O-N 2.77Å
407	L	88.2	Confident	73.4	Confident	35 Å²	35	83.9 Å²	83.9	18%	0.183	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.7	-172.1	-63.7	163.7	0	0	0	112.1	E34 R36 P402 G405 L410	E34-L407 HydrophobicContact CB-CD2 3.87Å; E34-L407 HydrophobicContact CG-CD2 4.09Å; R36-L407 HydrophobicContact CG-CD2 4.32Å; P402-L407 HydrophobicContact CB-CD1 3.67Å; P402-L407 HydrophobicContact CB-CD2 4.38Å; P402-L407 HydrophobicContact CB-CG 3.93Å; P402-L407 HydrophobicContact CG-CD1 3.76Å; P402-L407 HydrophobicContact CG-CD2 4.38Å; P402-L407 HydrophobicContact CG-CG 4.28Å; G405-L407 PolarHBondContact O-N 2.92Å; L407-L410 HydrophobicContact CD1-CD1 3.91Å; L407-L410 HydrophobicContact CD1-CD2 3.6Å; L407-L410 HydrophobicContact CD1-CG 3.99Å; L407-L410 HydrophobicContact CD2-CD2 4Å; L407-L410 HydrophobicContact CG-CD2 4.27Å
408	A	91.3	Very high	72.8	Confident	30 Å²	30	89.8 Å²	89.8	25%	0.248	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-28.8	167.2	0	0	0	0	0	112.1	C35 R37 A40 G361 F389	C35-A408 PolarHBondContact O-N 3.35Å; R37-A408 HydrophobicContact CG-CB 4.24Å; A40-A408 HydrophobicContact CB-CB 3.44Å; A40-A408 VanDerWaalsContact CB-CB 3.44Å; G361-A408 WeakPolarHBondContact CA-O 3.22Å; F389-A408 HydrophobicContact CE2-CB 4.01Å; F389-A408 HydrophobicContact CZ-CB 4.15Å
409	G	90.7	Very high	72.2	Confident	5 Å²	5	84.1 Å²	84.1	5%	0.052	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	157.4	179.3	0	0	0	0	0	113.7	C35 S360 W391	C35-G409 PolarHBondContact N-O 3.02Å; C35-G409 PolarHBondContact O-N 3.02Å; S360-G409 CarbonylContact O-C 3.38Å; S360-G409 WeakPolarHBondContact O-CA 3.29Å; W391-G409 VanDerWaalsContact CZ3-C 3.46Å
410	L	91.2	Very high	71.3	Confident	43 Å²	43	82.3 Å²	82.3	23%	0.225	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.3	-176.5	-69.8	-179.1	0	0	0	113.8	E34 S360 R397 L407	E34-L410 HydrophobicContact CB-CD2 3.62Å; S360-L410 PolarHBondContact N-O 3.36Å; S360-L410 PolarHBondContact O-N 3.01Å; R397-L410 VanDerWaalsContact CZ-CD2 3.46Å; L407-L410 HydrophobicContact CD1-CD1 3.91Å; L407-L410 HydrophobicContact CD1-CD2 3.6Å; L407-L410 HydrophobicContact CD1-CG 3.99Å; L407-L410 HydrophobicContact CD2-CD2 4Å; L407-L410 HydrophobicContact CG-CD2 4.27Å
411	A	91.8	Very high	69.9	Low	11 Å²	11	82.8 Å²	82.8	9%	0.091	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.8	163.4	0	0	0	0	0	110.3	F33 I357 V358 L359	F33-A411 HydrophobicContact CB-CB 4.08Å; F33-A411 WeakPolarHBondContact O-CB 3.3Å; F33-A411 PolarHBondContact O-N 2.91Å; I357-A411 HydrophobicContact CG2-CB 3.92Å; V358-A411 CarbonylContact O-C 3.57Å; V358-A411 WeakPolarHBondContact O-CA 3.17Å; L359-A411 HydrophobicContact CD2-CB 3.79Å
412	E	89.1	Confident	68.4	Low	91 Å²	91	80.3 Å²	80.3	43%	0.425	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.1	177.8	-62.1	-179.7	173	0	0	110.2	I357 V358	I357-E412 CarbonylContact C-O 3.59Å; I357-E412 WeakPolarHBondContact CA-O 3.41Å; V358-E412 HydrophobicContact CG2-CB 4.03Å; V358-E412 WeakPolarHBondContact CG2-O 3.46Å; V358-E412 PolarHBondContact N-O 2.99Å; V358-E412 PolarHBondContact O-N 2.74Å
413	L	85.4	Confident	67.2	Low	91 Å²	91	84 Å²	84	48%	0.476	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.1	168	-166.2	72.4	0	0	0	109	Q355 I357 S415	Q355-L413 HydrophobicContact CB-CD1 4.05Å; I357-L413 HydrophobicContact CG1-CD1 3.84Å; L413-S415 PolarHBondContact O-N 2.58Å
414	I	77	Confident	65.6	Low	72 Å²	72	81.8 Å²	81.8	37%	0.369	48%	0.475	S	S	.	.			trans	-69.9	101.7	169.9	-61.4	172.4	0	0	0	107.8	P356 V358	P356-I414 PolarHBondContact O-N 3.06Å; V358-I414 HydrophobicContact CB-CG1 4.5Å; V358-I414 HydrophobicContact CG1-CD1 3.41Å; V358-I414 VanDerWaalsContact CG1-CD1 3.41Å; V358-I414 HydrophobicContact CG1-CG1 3.82Å; V358-I414 HydrophobicContact CG2-CD1 4.4Å; V358-I414 HydrophobicContact CG2-CG1 3.89Å
415	S	57.3	Low	64	Low	60 Å²	60	80.1 Å²	80.1	42%	0.42	46%	0.455	S	S	.	.			trans	-66.6	131.5	169.1	-66.5	0	0	0	0	109.4	L413 S417 K418	L413-S415 PolarHBondContact O-N 2.58Å; S415-S417 PolarHBondContact O-N 3.35Å; S415-K418 PolarHBondContact O-N 3.33Å
416	P	52.2	Low	62.2	Low	113 Å²	113	83.2 Å²	83.2	73%	0.734	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-55.5	-18.4	179	-27.5	34.4	0	0	0	115
417	S	40.7	Very low	60	Low	105 Å²	105	83.6 Å²	83.6	73%	0.734	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-82.2	-11.3	-174.5	51.7	0	0	0	0	115.9	S415	S415-S417 PolarHBondContact O-N 3.35Å
418	K	44.2	Very low	57.9	Low	179 Å²	179	89.7 Å²	89.7	78%	0.778	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-95.3	5	178.6	-77.6	-173.9	179.4	177.9	0	114.9	S415 L420	S415-K418 PolarHBondContact O-N 3.33Å; K418-L420 PolarHBondContact O-N 3.24Å
419	S	42.1	Very low	55.2	Low	88 Å²	88	96.8 Å²	96.8	62%	0.615	51%	0.513	S	S	*	.			trans	-69	89.2	160.9	137.4	0	0	0	0	107.7	M421	S419-M421 PolarHBondContact O-N 2.85Å
420	L	36.6	Very low	52.8	Low	161 Å²	161	101.6 Å²	101.6	84%	0.843	54%	0.536	S	S	*	.			trans	-67	69.2	165.5	-94.6	116.8	0	0	0	109.6	K418	K418-L420 PolarHBondContact O-N 3.24Å
421	M	37.6	Very low	50.1	Low	104 Å²	104	106 Å²	106	51%	0.512	56%	0.559	S	S	.	*			trans	-121.3	99.9	153.2	-85.5	-86.8	179	0	0	103.9	S419 T423 Q425	S419-M421 PolarHBondContact O-N 2.85Å; M421-T423 PolarHBondContact O-N 3.47Å; M421-Q425 HydrophobicContact SD-CB 4.49Å
422	N	37	Very low	47.2	Very low	105 Å²	105	110 Å²	110	56%	0.561	59%	0.586	S	S	*	*			trans	-50.8	132.7	171.6	-87	-7.9	0	0	0	107.8	S424 Q425 L426	N422-S424 PolarHBondContact O-N 3.43Å; N422-Q425 WeakPolarHBondContact O-CA 3.49Å; N422-Q425 WeakPolarHBondContact O-CB 3.26Å; N422-Q425 PolarHBondContact O-N 2.89Å; N422-L426 PolarHBondContact O-N 2.97Å
423	T	42.9	Very low	44.3	Very low	110 Å²	110	109.3 Å²	109.3	68%	0.675	59%	0.592	S	S	*	*	H	α-helix	trans	-46.8	-34.8	178.9	46.2	0	0	0	0	112.5	M421 Q425 L426 E427	M421-T423 PolarHBondContact O-N 3.47Å; T423-Q425 PolarHBondContact O-N 2.84Å; T423-L426 PolarHBondContact O-N 2.82Å; T423-E427 WeakPolarHBondContact O-CG 3.44Å; T423-E427 PolarHBondContact O-N 3.37Å
424	S	43.6	Very low	41.6	Very low	62 Å²	62	111 Å²	111	43%	0.434	61%	0.606	S	S	.	*	H	α-helix	trans	-66.8	-26	175.3	62.1	0	0	0	0	115.5	N422 K428	N422-S424 PolarHBondContact O-N 3.43Å; S424-K428 PolarHBondContact O-N 3.44Å
425	Q	40	Very low	39.2	Very low	100 Å²	100	113.6 Å²	113.6	47%	0.467	63%	0.625	S	S	.	*	H	α-helix	trans	-79.3	-37.5	172	-65.6	-172.7	4.7	0	0	110.8	M421 N422 T423 K428 Y429	M421-Q425 HydrophobicContact SD-CB 4.49Å; N422-Q425 WeakPolarHBondContact O-CA 3.49Å; N422-Q425 WeakPolarHBondContact O-CB 3.26Å; N422-Q425 PolarHBondContact O-N 2.89Å; T423-Q425 PolarHBondContact O-N 2.84Å; Q425-K428 PolarHBondContact O-N 2.72Å; Q425-Y429 VanDerWaalsContact O-CD2 3.28Å; Q425-Y429 WeakPolarHBondContact O-CD2 3.39Å; Q425-Y429 PolarHBondContact O-N 3.42Å; Q425-Y429 VanDerWaalsContact O-N 3.15Å
426	L	42.5	Very low	37.8	Very low	95 Å²	95	115.4 Å²	115.4	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-64.7	-43.3	175.2	-161.8	80.6	0	0	0	111.2	N422 T423 K428 Y429 I430	N422-L426 PolarHBondContact O-N 2.97Å; T423-L426 PolarHBondContact O-N 2.82Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 2.74Å; L426-Y429 PolarHBondContact O-N 2.74Å; L426-Y429 VanDerWaalsContact O-N 3.12Å; L426-I430 HydrophobicContact CD2-CD1 4.13Å; L426-I430 HydrophobicContact CG-CD1 3.93Å; L426-I430 WeakPolarHBondContact O-CG1 3.43Å; L426-I430 PolarHBondContact O-N 2.78Å
427	E	39.4	Very low	36.6	Very low	95 Å²	95	117.7 Å²	117.7	44%	0.444	64%	0.639	S	S	.	*	H	α-helix	trans	-58.8	-39.1	174	-78.5	175.7	-174.4	0	0	112	T423 Y429 I430 L431	T423-E427 WeakPolarHBondContact O-CG 3.44Å; T423-E427 PolarHBondContact O-N 3.37Å; E427-Y429 PolarHBondContact O-N 2.88Å; E427-I430 PolarHBondContact O-N 3.06Å; E427-L431 HydrophobicContact CB-CD1 4.25Å; E427-L431 VanDerWaalsContact O-CB 3.25Å; E427-L431 WeakPolarHBondContact O-CB 3.44Å; E427-L431 WeakPolarHBondContact O-CD1 3.2Å; E427-L431 PolarHBondContact O-N 2.95Å
428	K	43.9	Very low	35.8	Very low	163 Å²	163	120 Å²	120	71%	0.709	64%	0.643	S	S	*	*	H	α-helix	trans	-68.1	-31.6	175.6	-80.2	-179.8	179.3	177.8	0	113.6	S424 Q425 L426 S432	S424-K428 PolarHBondContact O-N 3.44Å; Q425-K428 PolarHBondContact O-N 2.72Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 2.74Å; K428-S432 WeakPolarHBondContact O-CB 3.05Å; K428-S432 PolarHBondContact O-N 2.91Å; K428-S432 PolarHBondContact O-OG 3.26Å
429	Y	35.2	Very low	34.9	Very low	179 Å²	179	119 Å²	119	70%	0.702	65%	0.646	S	S	*	*	H	α-helix	trans	-76.6	-28.3	174.1	-84	-75	0	0	0	112.6	Q425 L426 E427	Q425-Y429 VanDerWaalsContact O-CD2 3.28Å; Q425-Y429 WeakPolarHBondContact O-CD2 3.39Å; Q425-Y429 PolarHBondContact O-N 3.42Å; Q425-Y429 VanDerWaalsContact O-N 3.15Å; L426-Y429 PolarHBondContact O-N 2.74Å; L426-Y429 VanDerWaalsContact O-N 3.12Å; E427-Y429 PolarHBondContact O-N 2.88Å
430	I	39.1	Very low	34.1	Very low	107 Å²	107	122.7 Å²	122.7	55%	0.549	66%	0.659	S	S	.	*	H	α-helix	trans	-82.5	-41.1	177.8	-65	169.5	0	0	0	111.2	L426 E427 S433	L426-I430 HydrophobicContact CD2-CD1 4.13Å; L426-I430 HydrophobicContact CG-CD1 3.93Å; L426-I430 WeakPolarHBondContact O-CG1 3.43Å; L426-I430 PolarHBondContact O-N 2.78Å; E427-I430 PolarHBondContact O-N 3.06Å; I430-S433 PolarHBondContact O-OG 3.33Å
431	L	35.7	Very low	33.5	Very low	134 Å²	134	120.3 Å²	120.3	70%	0.702	65%	0.65	S	S	*	*	H	α-helix	trans	-84.5	-5.7	-176.8	-77.1	148.5	0	0	0	114.9	E427 S433	E427-L431 HydrophobicContact CB-CD1 4.25Å; E427-L431 VanDerWaalsContact O-CB 3.25Å; E427-L431 WeakPolarHBondContact O-CB 3.44Å; E427-L431 WeakPolarHBondContact O-CD1 3.2Å; E427-L431 PolarHBondContact O-N 2.95Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 3.07Å
432	S	30	Very low	32.9	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	10.6	174.2	56	0	0	0	0	114.3	K428	K428-S432 WeakPolarHBondContact O-CB 3.05Å; K428-S432 PolarHBondContact O-N 2.91Å; K428-S432 PolarHBondContact O-OG 3.26Å
433	S	28.7	Very low	32.2	Very low	78 Å²	78	124.9 Å²	124.9	55%	0.545	68%	0.677	S	S	.	*	S	Bend	trans	-108.1	117.5	166.7	68.9	0	0	0	0	110.6	I430 L431	I430-S433 PolarHBondContact O-OG 3.33Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 3.07Å
434	T	27.5	Very low	31.5	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	69%	0.688	S	S	*	*			trans	79.2	60.2	163.2	71.9	0	0	0	0	119.1	S436	T434-S436 PolarHBondContact O-N 3.23Å
435	T	27.2	Very low	30.5	Very low	125 Å²	125	135.3 Å²	135.3	77%	0.767	71%	0.713	S	S	*	*			trans	-76.8	80.9	143.9	-5.8	0	0	0	0	108.6	Q437	T435-Q437 HydrophobicContact CG2-CG 4.49Å; T435-Q437 PolarHBondContact O-N 3.42Å
436	S	27.3	Very low	29.9	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	72%	0.72	S	S	*	*			trans	-71.8	87.5	157.2	51.2	0	0	0	0	106.9	T434 L438	T434-S436 PolarHBondContact O-N 3.23Å; S436-L438 PolarHBondContact O-N 3.16Å
437	Q	27.4	Very low	29	Very low	161 Å²	161	135 Å²	135	75%	0.752	74%	0.739	S	S	*	*			trans	-61.2	101.3	169.7	-78.6	-86.3	-4.2	0	0	107.4	T435 N439	T435-Q437 HydrophobicContact CG2-CG 4.49Å; T435-Q437 PolarHBondContact O-N 3.42Å; Q437-N439 PolarHBondContact O-N 2.89Å
438	L	24.8	Very low	28.4	Very low	154 Å²	154	138 Å²	138	81%	0.806	76%	0.758	S	S	*	*			trans	-56.1	126.3	165.3	-101.1	105.4	0	0	0	108.4	S436 N440	S436-L438 PolarHBondContact O-N 3.16Å; L438-N440 PolarHBondContact O-N 3.39Å
439	N	24.1	Very low	27.4	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	76%	0.761	S	S	*	*			trans	-49.2	101.5	174	-68.3	-33	0	0	0	111.4	Q437	Q437-N439 PolarHBondContact O-N 2.89Å
440	N	25.2	Very low	26.9	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	77%	0.767	S	S	*	*			trans	-88.5	111.8	156.8	-106.4	-13.4	0	0	0	108.5	L438 N442	L438-N440 PolarHBondContact O-N 3.39Å; N440-N442 PolarHBondContact O-N 2.93Å
441	V	24.2	Very low	26.3	Very low	111 Å²	111	134.3 Å²	134.3	67%	0.673	77%	0.773	S	S	*	*			trans	-54.6	119.7	170	175.6	0	0	0	0	109.2
442	N	25.4	Very low	25.7	Very low	157 Å²	157	134.8 Å²	134.8	84%	0.84	78%	0.776	S	S	*	*			trans	-158.7	113.1	135.9	-97.4	-22.7	0	0	0	111.3	N440	N440-N442 PolarHBondContact O-N 2.93Å
443	N	22.9	Very low	25.4	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	79%	0.786	S	S	*	*			trans	-47.9	127.6	167.8	-63.9	-36.3	0	0	0	111.8
444	K	27	Very low	25.3	Very low	207 Å²	207	142 Å²	142	90%	0.9	79%	0.792	S	S	*	*			trans	-160.5	114.5	140.6	-107.7	167.9	-171.5	-176	0	109.8
445	L	23.6	Very low	25.3	Very low	183 Å²	183	141 Å²	141	96%	0.958	79%	0.79	S	S	*	*			trans	-0.4	128.8	163.8	-105.6	73.5	0	0	0	117.7
446	G	26.8	Very low	25.3	Very low	61 Å²	61	146 Å²	146	63%	0.629	80%	0.795	S	S	*	*			trans	151.1	95	159.2	0	0	0	0	0	111.3	L448	G446-L448 VanDerWaalsContact C-N 3.31Å; G446-L448 PolarHBondContact O-N 2.99Å
447	S	24.3	Very low	25.6	Very low	128 Å²	128	144.4 Å²	144.4	90%	0.895	78%	0.783	S	S	*	*			trans	-55.1	90.6	168.3	53.9	0	0	0	0	110.5
448	L	26.1	Very low	26.1	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	78%	0.78	S	S	*	*			trans	-110.5	108.6	171	-76.7	163.8	0	0	0	107.3	G446 L450	G446-L448 VanDerWaalsContact C-N 3.31Å; G446-L448 PolarHBondContact O-N 2.99Å; L448-L450 PolarHBondContact O-N 2.82Å
449	S	24.2	Very low	26.6	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	77%	0.767	S	S	*	*			trans	-38	121.8	177.3	50	0	0	0	0	112.5
450	L	23.9	Very low	27.3	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	75%	0.754	S	S	*	*			trans	-50.7	137.2	167	-80.5	121.6	0	0	0	109.9	L448 N452	L448-L450 PolarHBondContact O-N 2.82Å; L450-N452 PolarHBondContact O-N 2.89Å; L450-N452 VanDerWaalsContact O-N 3.12Å
451	P	25.6	Very low	27.9	Very low	102 Å²	102	132 Å²	132	66%	0.662	74%	0.735	S	S	*	*			trans	-62.5	119.7	174.3	-8.9	22	0	0	0	108.5	F453	P451-F453 PolarHBondContact O-N 3.26Å
452	N	23.2	Very low	28.5	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	72%	0.719	S	S	*	*			trans	-58.7	100.6	172.5	-113.9	-11.9	0	0	0	109.1	L450 N454	L450-N452 PolarHBondContact O-N 2.89Å; L450-N452 VanDerWaalsContact O-N 3.12Å; N452-N454 PolarHBondContact O-N 2.96Å
453	F	24.6	Very low	29.1	Very low	200 Å²	200	130 Å²	130	88%	0.877	71%	0.713	S	S	*	*			trans	-75	58.3	165.2	-83.5	-83.3	0	0	0	109.9	P451	P451-F453 PolarHBondContact O-N 3.26Å
454	N	25.9	Very low	29.9	Very low	125 Å²	125	132.5 Å²	132.5	67%	0.668	71%	0.711	S	S	*	*			trans	-98.3	119.7	167	-92.3	-18.1	0	0	0	109.1	N452	N452-N454 PolarHBondContact O-N 2.96Å
455	S	27.3	Very low	30.5	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	71%	0.705	S	S	*	*			trans	68.5	67.3	161.8	72.7	0	0	0	0	117.2	S457	S455-S457 PolarHBondContact O-N 2.98Å
456	R	28	Very low	31.3	Very low	230 Å²	230	129 Å²	129	87%	0.868	68%	0.684	S	S	*	*			trans	-72.5	86.6	146.4	-161.1	174.1	-171.1	-168	3.7	107.4
457	S	32.6	Very low	32.5	Very low	65 Å²	65	128.9 Å²	128.9	46%	0.455	67%	0.674	S	S	.	*			trans	-48.6	151.4	173.3	57	0	0	0	0	111.1	S455 M459	S455-S457 PolarHBondContact O-N 2.98Å; S457-M459 PolarHBondContact O-N 3.46Å
458	P	38.8	Very low	33.6	Very low	106 Å²	106	128.6 Å²	128.6	69%	0.688	66%	0.662	S	S	*	*	S	Bend	trans	-73.4	41.8	-173.3	31.5	-35.8	0	0	0	113.3	S461	P458-S461 PolarHBondContact O-OG 2.97Å
459	M	35.1	Very low	34.6	Very low	107 Å²	107	125.9 Å²	125.9	53%	0.527	65%	0.648	S	S	.	*	H	α-helix	trans	-83.3	-7.5	-178.1	-76.1	-150.8	78.2	0	0	114.6	S457 R463	S457-M459 PolarHBondContact O-N 3.46Å; M459-R463 WeakPolarHBondContact O-CG 3.39Å; M459-R463 PolarHBondContact O-N 3.43Å
460	T	39.5	Very low	35.6	Very low	91 Å²	91	128.7 Å²	128.7	56%	0.558	64%	0.641	S	S	*	*	H	α-helix	trans	-75.2	-37.2	175.3	56.4	0	0	0	0	111.8	R464	T460-R464 PolarHBondContact O-N 2.91Å
461	S	38.1	Very low	36.4	Very low	72 Å²	72	127.4 Å²	127.4	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-76.8	-31.1	172.7	48.4	0	0	0	0	112.5	P458 R464 R465	P458-S461 PolarHBondContact O-OG 2.97Å; S461-R464 PolarHBondContact O-N 3.22Å; S461-R465 PolarHBondContact O-N 2.85Å; S461-R465 VanDerWaalsContact O-N 3.1Å
462	A	35.1	Very low	37.5	Very low	40 Å²	40	128.9 Å²	128.9	33%	0.331	63%	0.627	S	S	.	*	H	α-helix	trans	-63.7	-41.1	171	0	0	0	0	0	111.8	R464 R465 Q466	A462-R464 PolarHBondContact O-N 2.94Å; A462-R465 PolarHBondContact O-N 2.86Å; A462-Q466 PolarHBondContact O-N 2.87Å
463	R	38.5	Very low	38.1	Very low	187 Å²	187	126.7 Å²	126.7	71%	0.706	61%	0.614	S	S	*	*	H	α-helix	trans	-62.4	-38.6	174.9	-83.4	-173.9	178.6	-165.6	0.5	112.8	M459 Q466 S467	M459-R463 WeakPolarHBondContact O-CG 3.39Å; M459-R463 PolarHBondContact O-N 3.43Å; R463-Q466 PolarHBondContact O-N 3.07Å; R463-S467 PolarHBondContact O-N 3.03Å; R463-S467 VanDerWaalsContact O-N 3.17Å
464	R	40.9	Very low	39	Very low	201 Å²	201	123.8 Å²	123.8	76%	0.758	60%	0.603	S	S	*	*	H	α-helix	trans	-74.2	-27.9	179.1	-155.7	176.3	-167.7	-174.7	2.3	113.5	T460 S461 A462 S467	T460-R464 PolarHBondContact O-N 2.91Å; S461-R464 PolarHBondContact O-N 3.22Å; A462-R464 PolarHBondContact O-N 2.94Å; R464-S467 PolarHBondContact O-OG 2.99Å
465	R	39.2	Very low	40	Very low	202 Å²	202	122.4 Å²	122.4	76%	0.762	60%	0.6	S	S	*	*	H	α-helix	trans	-75.8	-33.4	169.6	-77.6	-174.9	174.5	-175	-1.2	112.4	S461 A462 I469	S461-R465 PolarHBondContact O-N 2.85Å; S461-R465 VanDerWaalsContact O-N 3.1Å; A462-R465 PolarHBondContact O-N 2.86Å; R465-I469 PolarHBondContact O-N 2.97Å
466	Q	40.5	Very low	40.3	Very low	114 Å²	114	121.6 Å²	121.6	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-67.2	-35.7	176.2	-87.2	-177.5	-17.8	0	0	112.8	A462 R463 N468 I469 R470	A462-Q466 PolarHBondContact O-N 2.87Å; R463-Q466 PolarHBondContact O-N 3.07Å; Q466-N468 VanDerWaalsContact C-N 3.32Å; Q466-N468 PolarHBondContact O-N 2.87Å; Q466-I469 PolarHBondContact O-N 2.61Å; Q466-R470 WeakPolarHBondContact O-CB 3.36Å; Q466-R470 PolarHBondContact O-N 3.22Å
467	S	51.1	Low	40.5	Very low	59 Å²	59	114.4 Å²	114.4	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-61.3	-40.3	177	55.5	0	0	0	0	112.5	R463 R464 R470 H471	R463-S467 PolarHBondContact O-N 3.03Å; R463-S467 VanDerWaalsContact O-N 3.17Å; R464-S467 PolarHBondContact O-OG 2.99Å; S467-R470 PolarHBondContact O-N 3.24Å; S467-H471 WeakPolarHBondContact O-CB 3.37Å; S467-H471 PolarHBondContact O-N 3.19Å
468	N	47	Very low	40.4	Very low	121 Å²	121	116.9 Å²	116.9	65%	0.647	59%	0.59	S	S	*	*	H	α-helix	trans	-71.4	-33.3	180	-66.3	4.1	0	0	0	112.2	Q466 F472	Q466-N468 VanDerWaalsContact C-N 3.32Å; Q466-N468 PolarHBondContact O-N 2.87Å; N468-F472 WeakPolarHBondContact O-CB 3.41Å; N468-F472 PolarHBondContact O-N 3.22Å
469	I	48.2	Very low	40.2	Very low	102 Å²	102	118.3 Å²	118.3	52%	0.523	60%	0.596	S	S	.	*	H	α-helix	trans	-75.2	-36.5	174	-65.5	169.2	0	0	0	110.9	R465 Q466 F472 L473	R465-I469 PolarHBondContact O-N 2.97Å; Q466-I469 PolarHBondContact O-N 2.61Å; I469-F472 PolarHBondContact O-N 2.81Å; I469-L473 HydrophobicContact CG2-CD1 3.84Å; I469-L473 HydrophobicContact CG2-CG 4.23Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.31Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 3.48Å
470	R	45.2	Very low	39.8	Very low	172 Å²	172	120.6 Å²	120.6	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-65.9	-46.7	178.1	-133.3	-179.2	-165.3	136.5	1.1	111.4	Q466 S467 F472 L473 E474	Q466-R470 WeakPolarHBondContact O-CB 3.36Å; Q466-R470 PolarHBondContact O-N 3.22Å; S467-R470 PolarHBondContact O-N 3.24Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 2.65Å; R470-L473 PolarHBondContact O-N 3.17Å; R470-L473 VanDerWaalsContact O-N 3.14Å; R470-E474 WeakPolarHBondContact O-CB 3.35Å; R470-E474 PolarHBondContact O-N 3.32Å
471	H	39.4	Very low	39.2	Very low	130 Å²	130	121.6 Å²	121.6	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-60.8	-39.4	175.3	-168.4	-76.6	0	0	0	111.5	S467 T475	S467-H471 WeakPolarHBondContact O-CB 3.37Å; S467-H471 PolarHBondContact O-N 3.19Å; H471-T475 WeakPolarHBondContact O-CG2 3.31Å; H471-T475 PolarHBondContact O-N 3.29Å; H471-T475 PolarHBondContact O-OG1 2.79Å
472	F	50.3	Low	38.8	Very low	133 Å²	133	122.9 Å²	122.9	58%	0.583	63%	0.63	S	S	*	*	H	α-helix	trans	-70.1	-30.8	175.1	-179.4	-97	0	0	0	113.8	N468 I469 R470 T475 V476	N468-F472 WeakPolarHBondContact O-CB 3.41Å; N468-F472 PolarHBondContact O-N 3.22Å; I469-F472 PolarHBondContact O-N 2.81Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 2.65Å; F472-T475 WeakPolarHBondContact CA-OG1 3.49Å; F472-T475 PolarHBondContact O-OG1 3.26Å; F472-V476 HydrophobicContact CE1-CG2 4.33Å; F472-V476 HydrophobicContact CE2-CG2 4.29Å; F472-V476 HydrophobicContact CZ-CG2 4.14Å; F472-V476 WeakPolarHBondContact O-CG2 3.26Å; F472-V476 PolarHBondContact O-N 2.67Å
473	L	34.6	Very low	38.3	Very low	97 Å²	97	125.8 Å²	125.8	51%	0.508	65%	0.648	S	S	.	*	H	α-helix	trans	-80.3	-32.8	176.2	-72.2	174.2	0	0	0	112	I469 R470 T475 V476 S477	I469-L473 HydrophobicContact CG2-CD1 3.84Å; I469-L473 HydrophobicContact CG2-CG 4.23Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.31Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 3.48Å; R470-L473 PolarHBondContact O-N 3.17Å; R470-L473 VanDerWaalsContact O-N 3.14Å; L473-T475 VanDerWaalsContact C-N 3.29Å; L473-T475 PolarHBondContact O-N 3.16Å; L473-V476 PolarHBondContact O-N 3.38Å; L473-S477 PolarHBondContact O-N 2.74Å; L473-S477 PolarHBondContact O-OG 3.07Å
474	E	43.4	Very low	37.5	Very low	139 Å²	139	121.9 Å²	121.9	65%	0.65	65%	0.649	S	S	*	*	H	α-helix	trans	-64.1	-34.6	171.9	-79.8	169.7	-176.6	0	0	111.6	R470 V476	R470-E474 WeakPolarHBondContact O-CB 3.35Å; R470-E474 PolarHBondContact O-N 3.32Å; E474-V476 VanDerWaalsContact C-N 3.32Å; E474-V476 PolarHBondContact O-N 3.19Å
475	T	47.7	Very low	36.8	Very low	96 Å²	96	119 Å²	119	59%	0.589	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-15.4	174.7	54.4	0	0	0	0	114.3	H471 F472 L473	H471-T475 WeakPolarHBondContact O-CG2 3.31Å; H471-T475 PolarHBondContact O-N 3.29Å; H471-T475 PolarHBondContact O-OG1 2.79Å; F472-T475 WeakPolarHBondContact CA-OG1 3.49Å; F472-T475 PolarHBondContact O-OG1 3.26Å; L473-T475 VanDerWaalsContact C-N 3.29Å; L473-T475 PolarHBondContact O-N 3.16Å
476	V	34.2	Very low	36	Very low	90 Å²	90	114.7 Å²	114.7	55%	0.545	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.9	-2.5	-173.2	-176	0	0	0	0	112.9	F472 L473 E474 P478	F472-V476 HydrophobicContact CE1-CG2 4.33Å; F472-V476 HydrophobicContact CE2-CG2 4.29Å; F472-V476 HydrophobicContact CZ-CG2 4.14Å; F472-V476 WeakPolarHBondContact O-CG2 3.26Å; F472-V476 PolarHBondContact O-N 2.67Å; L473-V476 PolarHBondContact O-N 3.38Å; E474-V476 VanDerWaalsContact C-N 3.32Å; E474-V476 PolarHBondContact O-N 3.19Å; V476-P478 WeakPolarHBondContact O-CD 3.38Å
477	S	31.9	Very low	35.4	Very low	78 Å²	78	115.9 Å²	115.9	55%	0.545	67%	0.671	S	S	.	*	S	Bend	trans	-84.6	117	175.9	-55.3	0	0	0	0	110.8	L473	L473-S477 PolarHBondContact O-N 2.74Å; L473-S477 PolarHBondContact O-OG 3.07Å
478	P	30.7	Very low	34	Very low	117 Å²	117	118.8 Å²	118.8	76%	0.76	69%	0.686	S	S	*	*			trans	-70.5	137.5	174.5	25.8	-26.7	0	0	0	110.6	V476 N480	V476-P478 WeakPolarHBondContact O-CD 3.38Å; P478-N480 PolarHBondContact O-N 2.81Å; P478-N480 VanDerWaalsContact O-N 3.08Å
479	V	32.8	Very low	32.8	Very low	136 Å²	136	119.8 Å²	119.8	82%	0.824	69%	0.691	S	S	*	*			trans	-62.1	105	-175.6	-177.5	0	0	0	0	109.9	S481	V479-S481 PolarHBondContact O-N 2.92Å; V479-S481 VanDerWaalsContact O-N 3.1Å
480	N	28.6	Very low	31.8	Very low	156 Å²	156	123.5 Å²	123.5	83%	0.834	70%	0.703	S	S	*	*			trans	-73.2	98.6	160.7	-89.1	-4.8	0	0	0	107.9	P478 S482	P478-N480 PolarHBondContact O-N 2.81Å; P478-N480 VanDerWaalsContact O-N 3.08Å; N480-S482 PolarHBondContact O-N 3.39Å
481	S	24.9	Very low	30.7	Very low	111 Å²	111	120 Å²	120	78%	0.776	71%	0.705	S	S	*	*			trans	-67.1	104.3	164.5	51.8	0	0	0	0	109.3	V479	V479-S481 PolarHBondContact O-N 2.92Å; V479-S481 VanDerWaalsContact O-N 3.1Å
482	S	29.8	Very low	30.1	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	72%	0.722	S	S	*	*			trans	-151.1	114.8	154.8	47.7	0	0	0	0	111	N480	N480-S482 PolarHBondContact O-N 3.39Å
483	S	25.5	Very low	28.8	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	73%	0.734	S	S	*	*			trans	52.8	105.1	143.4	59.4	0	0	0	0	120.6
484	S	22.7	Very low	28.3	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	74%	0.742	S	S	*	*				28.7	122	119.1	61	0	0	0	0	119.1
485	T	24.6	Very low	27.3	Very low	141 Å²	141	124 Å²	124	87%	0.865	76%	0.756	S	S	*	*				-164.3	126.9	119.1	14.6	0	0	0	0	111.1
486	S	22.1	Very low	26	Very low	111 Å²	111	124.5 Å²	124.5	78%	0.776	76%	0.764	S	S	*	*			trans	-59.7	132	166.3	48.5	0	0	0	0	112
487	T	28.1	Very low	25.5	Very low	140 Å²	140	125 Å²	125	86%	0.859	77%	0.771	S	S	*	*			trans	-144.9	116.9	145.1	36.5	0	0	0	0	110.2
488	T	21.6	Very low	25.3	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	79%	0.79	S	S	*	*			trans	-65.5	139.9	160.7	44.2	0	0	0	0	109.3
489	N	23.6	Very low	24.9	Very low	141 Å²	141	129 Å²	129	75%	0.754	79%	0.787	S	S	*	*				164.5	139.6	128.2	-88.3	-37	0	0	0	115.4
490	K	25.6	Very low	24.5	Very low	180 Å²	180	130.1 Å²	130.1	78%	0.783	79%	0.789	S	S	*	*			trans	85.8	94.7	149	-70.5	170.3	-174.1	-175.6	0	120.3
491	S	21.9	Very low	24	Very low	98 Å²	98	127.6 Å²	127.6	69%	0.685	78%	0.783	S	S	*	*				17.7	119.7	121.2	66	0	0	0	0	118.6
492	L	28.1	Very low	23.7	Very low	183 Å²	183	130.9 Å²	130.9	96%	0.958	79%	0.789	S	S	*	*			trans	-129.4	93.2	140.1	-88.5	167.6	0	0	0	107.9
493	V	22.9	Very low	23.4	Very low	136 Å²	136	131.6 Å²	131.6	82%	0.824	79%	0.794	S	S	*	*			trans	-95.6	119.9	160.1	177.6	0	0	0	0	106
494	A	23.1	Very low	23.1	Very low	82 Å²	82	132.6 Å²	132.6	68%	0.678	80%	0.795	S	S	*	*			trans	173.6	114.8	142.4	0	0	0	0	0	107.9
495	L	23.6	Very low	23.1	Very low	182 Å²	182	135.6 Å²	135.6	95%	0.953	80%	0.803	S	S	*	*			trans	-180	65.5	132.7	-89.9	161.5	0	0	0	107.5
496	S	20.1	Very low	22.9	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	79%	0.792	S	S	*	*			trans	-104	111.6	154.8	45.7	0	0	0	0	107.3
497	S	23.9	Very low	22.7	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	80%	0.795	S	S	*	*			trans	158.7	95.6	149.6	46.2	0	0	0	0	110.2
498	L	28	Very low	22.5	Very low	178 Å²	178	133.8 Å²	133.8	93%	0.932	79%	0.792	S	S	*	*			trans	-146	74.5	146.9	-94.1	121.8	0	0	0	107.2
499	S	21	Very low	22.4	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	80%	0.795	S	S	*	*			trans	-63.7	131.6	145.9	50.1	0	0	0	0	108.4
500	N	25.2	Very low	22.4	Very low	160 Å²	160	136.3 Å²	136.3	86%	0.856	80%	0.8	S	S	*	*			trans	-161	114.7	136.4	-96.8	-14.8	0	0	0	110.2
501	S	18.4	Very low	22.2	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	79%	0.791	S	S	*	*			trans	-69.5	155.8	166.3	49.7	0	0	0	0	112.4
502	M	18.6	Very low	22.4	Very low	180 Å²	180	134.8 Å²	134.8	89%	0.887	80%	0.799	S	S	*	*			trans	64.7	115.1	153.4	-75.1	-141.2	161.6	0	0	119.4
503	S	23.4	Very low	22.1	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	79%	0.792	S	S	*	*				-165.3	111.4	117.6	57	0	0	0	0	111.1
504	T	18.1	Very low	22.2	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	79%	0.791	S	S	*	*			trans	-69.4	135.4	153.4	45.4	0	0	0	0	109.6
505	N	22.8	Very low	22.1	Very low	167 Å²	167	137.5 Å²	137.5	89%	0.893	80%	0.797	S	S	*	*			trans	155.7	125.9	160.7	-80.1	-17.4	0	0	0	104.4
506	G	20.2	Very low	22.2	Very low	61 Å²	61	137.7 Å²	137.7	63%	0.629	79%	0.79	S	S	*	*			cis	146	127.3	23.4	0	0	0	0	0	104.7
507	I	19.6	Very low	22.2	Very low	165 Å²	165	144.2 Å²	144.2	85%	0.846	80%	0.799	S	S	*	*			trans	57.7	119.9	141.8	-45.8	166.9	0	0	0	117.1
508	V	22.8	Very low	22	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	80%	0.803	S	S	*	*				-178.6	124.8	109.1	159.6	0	0	0	0	109.2
509	L	19.8	Very low	21.9	Very low	154 Å²	154	143.9 Å²	143.9	81%	0.806	80%	0.796	S	S	*	*			trans	-53.8	139.5	166.4	-70	147.8	0	0	0	111.7
510	N	24.2	Very low	22.1	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	80%	0.799	S	S	*	*			trans	-138.7	102.2	140.9	-107.5	-15.9	0	0	0	110
511	S	21	Very low	22	Very low	86 Å²	86	142.7 Å²	142.7	60%	0.601	79%	0.789	S	S	*	*			trans	-59.5	125.5	160.3	48.8	0	0	0	0	110.1
512	N	25.6	Very low	22.4	Very low	160 Å²	160	142.2 Å²	142.2	86%	0.856	79%	0.791	S	S	*	*			trans	-149.2	97.4	145.5	-93.8	-32.8	0	0	0	108.6	Q514	N512-Q514 PolarHBondContact O-N 2.9Å
513	L	21.5	Very low	22.8	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	78%	0.783	S	S	*	*			trans	-58.5	118.5	162.6	-78.5	110.5	0	0	0	109.1
514	Q	24.6	Very low	22.8	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.794	78%	0.78	S	S	*	*			trans	-134.7	106.4	147.3	-77.8	-163.2	-6.3	0	0	109.4	N512 K516	N512-Q514 PolarHBondContact O-N 2.9Å; Q514-K516 PolarHBondContact O-N 3.16Å; Q514-K516 VanDerWaalsContact O-N 3.13Å
515	T	21.6	Very low	23.1	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	77%	0.773	S	S	*	*			trans	-58.6	103.1	167.6	50.5	0	0	0	0	110
516	K	25.2	Very low	23.2	Very low	185 Å²	185	138.3 Å²	138.3	80%	0.804	76%	0.763	S	S	*	*			trans	-131.1	125.2	159.9	-79.9	-172.3	179.1	175.2	0	109.4	Q514	Q514-K516 PolarHBondContact O-N 3.16Å; Q514-K516 VanDerWaalsContact O-N 3.13Å
517	R	20.8	Very low	23.6	Very low	245 Å²	245	140.7 Å²	140.7	93%	0.925	77%	0.766	S	S	*	*			trans	-39	130.1	-172.7	-69.2	174.5	174.4	-177.3	-2.6	113.9	P519	R517-P519 WeakPolarHBondContact O-CD 3.38Å
518	L	19.9	Very low	24	Very low	154 Å²	154	140.1 Å²	140.1	81%	0.806	76%	0.764	S	S	*	*			trans	-48.5	121.2	163.2	-108.6	73.5	0	0	0	110.4
519	P	25.7	Very low	24.2	Very low	118 Å²	118	137.5 Å²	137.5	77%	0.766	76%	0.762	S	S	*	*			trans	-74	137.4	151.1	-1.6	20.6	0	0	0	107.8	R517 L521	R517-P519 WeakPolarHBondContact O-CD 3.38Å; P519-L521 PolarHBondContact O-N 2.87Å
520	S	25.5	Very low	24.7	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	75%	0.751	S	S	*	*			trans	-42.4	122	-176.6	58.7	0	0	0	0	113.4	A522	S520-A522 PolarHBondContact O-N 3.37Å
521	L	23.1	Very low	25	Very low	125 Å²	125	131.4 Å²	131.4	65%	0.654	75%	0.748	S	S	*	*			trans	-60.5	92.2	171.6	-158.8	97	0	0	0	109.8	P519 L524	P519-L521 PolarHBondContact O-N 2.87Å; L521-L524 HydrophobicContact CD2-CD1 3.89Å; L521-L524 HydrophobicContact CD2-CD2 3.99Å; L521-L524 HydrophobicContact CD2-CG 3.75Å
522	A	27.6	Very low	25.5	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	73%	0.733	S	S	*	*			trans	-109.5	29.4	168	0	0	0	0	0	111.4	S520	S520-A522 PolarHBondContact O-N 3.37Å
523	T	25.3	Very low	25.6	Very low	115 Å²	115	128.7 Å²	128.7	71%	0.706	72%	0.724	S	S	*	*			trans	-135.2	76.1	176.7	-22.7	0	0	0	0	108.7
524	L	23.9	Very low	25.8	Very low	142 Å²	142	128 Å²	128	74%	0.743	71%	0.71	S	S	*	*			trans	-111.8	92.5	156.7	-71.9	173.6	0	0	0	104.9	L521	L521-L524 HydrophobicContact CD2-CD1 3.89Å; L521-L524 HydrophobicContact CD2-CD2 3.99Å; L521-L524 HydrophobicContact CD2-CG 3.75Å
525	T	24.6	Very low	25.8	Very low	99 Å²	99	127.1 Å²	127.1	61%	0.607	70%	0.704	S	S	*	*				36.6	110.7	84.6	55.7	0	0	0	0	115.2
526	E	25.3	Very low	26.1	Very low	145 Å²	145	125.8 Å²	125.8	68%	0.678	70%	0.698	S	S	*	*			trans	87.1	143	133.1	-70.8	-170.6	147.6	0	0	122.5
527	T	27.4	Very low	26.2	Very low	112 Å²	112	121 Å²	121	69%	0.687	70%	0.7	S	S	*	*			trans	90.9	128.3	157.9	70.7	0	0	0	0	118.4
528	L	27.8	Very low	26.3	Very low	153 Å²	153	116.1 Å²	116.1	80%	0.801	69%	0.692	S	S	*	*	S	Bend	trans	83.7	110.4	159.5	-59.6	143.5	0	0	0	116.8
529	G	27.6	Very low	26.4	Very low	73 Å²	73	113.3 Å²	113.3	75%	0.753	69%	0.686	S	S	*	*	S	Bend	trans	41.8	94.4	153.4	0	0	0	0	0	116.9
530	G	29.6	Very low	26.2	Very low	56 Å²	56	114.5 Å²	114.5	58%	0.577	69%	0.691	S	S	*	*			trans	49	76.2	160.5	0	0	0	0	0	114.5	V532	G530-V532 PolarHBondContact O-N 3.2Å
531	V	30.5	Very low	26.1	Very low	131 Å²	131	112.8 Å²	112.8	79%	0.794	69%	0.69	S	S	*	*			trans	-66.1	104.8	169.6	176.3	0	0	0	0	108.6	Q533	V531-Q533 PolarHBondContact O-N 2.8Å
532	V	32.7	Very low	25.9	Very low	45 Å²	45	116.5 Å²	116.5	27%	0.273	70%	0.702	S	S	.	*			trans	-70.2	106.3	169.6	178.4	0	0	0	0	107.9	F312 G530 R534	F312-V532 HydrophobicContact CE1-CG1 4.35Å; F312-V532 HydrophobicContact CE1-CG2 4.28Å; F312-V532 HydrophobicContact CE2-CG1 4.23Å; F312-V532 HydrophobicContact CZ-CG1 4.08Å; F312-V532 HydrophobicContact CZ-CG2 4.08Å; G530-V532 PolarHBondContact O-N 3.2Å; V532-R534 PolarHBondContact O-N 2.99Å
533	Q	27.9	Very low	25.7	Very low	143 Å²	143	120.6 Å²	120.6	67%	0.668	71%	0.705	S	S	*	*			trans	-73.4	108.8	177	-161.2	174.1	11	0	0	109.1	V531	V531-Q533 PolarHBondContact O-N 2.8Å
534	R	24.8	Very low	25.5	Very low	141 Å²	141	122.4 Å²	122.4	53%	0.532	71%	0.71	S	S	.	*			trans	-87.2	128.3	153.3	-81.5	-153.2	171.5	-178.5	0.3	107.6	V311 V532 P536	V311-R534 PolarHBondContact O-NE 3.16Å; V311-R534 PolarHBondContact O-NH2 3.39Å; V532-R534 PolarHBondContact O-N 2.99Å; R534-P536 WeakPolarHBondContact O-CD 3.38Å
535	F	25.8	Very low	25.6	Very low	153 Å²	153	122.8 Å²	122.8	67%	0.671	71%	0.711	S	S	*	*			trans	-68.4	112.2	163.9	-68.8	-80.8	0	0	0	107.9	G537	F535-G537 PolarHBondContact O-N 2.86Å
536	P	27	Very low	25.4	Very low	104 Å²	104	126.9 Å²	126.9	68%	0.675	72%	0.723	S	S	*	*			trans	-72.8	123.1	173	-9.6	28.4	0	0	0	107.7	R534 L538	R534-P536 WeakPolarHBondContact O-CD 3.38Å; P536-L538 PolarHBondContact O-N 2.85Å
537	G	26.6	Very low	25.5	Very low	83 Å²	83	125.3 Å²	125.3	86%	0.856	73%	0.728	S	S	*	*			trans	-65.7	100.3	164	0	0	0	0	0	109.4	F535	F535-G537 PolarHBondContact O-N 2.86Å
538	L	24.3	Very low	25.3	Very low	143 Å²	143	124.5 Å²	124.5	75%	0.749	73%	0.733	S	S	*	*			trans	-143.3	100.4	167.7	-73.6	173.7	0	0	0	105.9	P536	P536-L538 PolarHBondContact O-N 2.85Å
539	S	22.2	Very low	25.2	Very low	96 Å²	96	123 Å²	123	67%	0.671	73%	0.732	S	S	*	*				105.2	103.5	85.8	61.9	0	0	0	0	110.1
540	T	21	Very low	25.1	Very low	142 Å²	142	125 Å²	125	87%	0.871	74%	0.735	S	S	*	*			trans	10.8	110.4	144.4	55.5	0	0	0	0	116.9
541	G	22.3	Very low	24.8	Very low	74 Å²	74	128.3 Å²	128.3	76%	0.763	74%	0.744	S	S	*	*			trans	-154.5	101.1	166.4	0	0	0	0	0	109.8
542	F	20.6	Very low	24.7	Very low	204 Å²	204	127.4 Å²	127.4	90%	0.895	74%	0.741	S	S	*	*			trans	-56.1	138.3	173.6	-71.5	-98.7	0	0	0	111.9
543	Q	23.1	Very low	24.4	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	77%	0.769	S	S	*	*				-176.1	123.5	108.7	-100.5	-176	-7.1	0	0	111.1	I545	Q543-I545 PolarHBondContact O-N 3.24Å
544	N	20.4	Very low	24.2	Very low	153 Å²	153	133.4 Å²	133.4	82%	0.818	78%	0.782	S	S	*	*			trans	-54.9	124.7	162.4	-77.2	-32.3	0	0	0	110.4
545	I	25.1	Very low	24.1	Very low	150 Å²	150	129.4 Å²	129.4	77%	0.769	79%	0.785	S	S	*	*			trans	-132.6	113.3	146	-59.7	-179.6	0	0	0	107.2	Q543 S547	Q543-I545 PolarHBondContact O-N 3.24Å; I545-S547 PolarHBondContact O-N 2.81Å
546	H	22.5	Very low	24	Very low	185 Å²	185	128.6 Å²	128.6	86%	0.856	80%	0.797	S	S	*	*			trans	-56.7	119.3	169	-77.6	-86.5	0	0	0	110.2
547	S	26	Very low	23.9	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	81%	0.806	S	S	*	*			trans	-129.7	111.6	155.6	60.7	0	0	0	0	108.9	I545	I545-S547 PolarHBondContact O-N 2.81Å
548	A	24.4	Very low	23.8	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	80%	0.801	S	S	*	*			trans	-58.5	158	179.5	0	0	0	0	0	112.7	S550	A548-S550 PolarHBondContact O-N 3.14Å
549	P	24.8	Very low	23.7	Very low	121 Å²	121	136 Å²	136	79%	0.786	80%	0.804	S	S	*	*			trans	-77	123.8	-165	30	-31.8	0	0	0	111.8	T551	P549-T551 PolarHBondContact O-N 2.99Å
550	S	25.2	Very low	23.8	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	82%	0.816	S	S	*	*			trans	-69.8	108.8	167.1	56.1	0	0	0	0	109.6	A548	A548-S550 PolarHBondContact O-N 3.14Å
551	T	24.2	Very low	23.9	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.1	164.9	35.7	0	0	0	0	110.3	P549	P549-T551 PolarHBondContact O-N 2.99Å
552	P	28.6	Very low	24	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.8	152.8	173.4	31.2	-31.5	0	0	0	110.3	L554	P552-L554 PolarHBondContact O-N 3.38Å
553	P	25.3	Very low	24.3	Very low	133 Å²	133	136.7 Å²	136.7	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.4	131.2	-170.7	5.1	3	0	0	0	112.2
554	L	23.5	Very low	24.3	Very low	181 Å²	181	139.7 Å²	139.7	95%	0.948	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.1	132	161.7	-76.7	157	0	0	0	109.3	P552	P552-L554 PolarHBondContact O-N 3.38Å
555	G	23	Very low	24.5	Very low	57 Å²	57	136.9 Å²	136.9	59%	0.588	80%	0.802	S	S	*	*			trans	116.8	96.8	159.5	0	0	0	0	0	114.6
556	C	23.8	Very low	24.6	Very low	136 Å²	136	135.9 Å²	135.9	92%	0.919	81%	0.806	S	S	*	*				-162	102.6	125.7	-90.7	0	0	0	0	108.6
557	Y	24.6	Very low	24.6	Very low	222 Å²	222	135.8 Å²	135.8	87%	0.871	80%	0.803	S	S	*	*			trans	-50.5	161.4	160.9	-58.6	-97.8	0	0	0	110.2
558	S	25.5	Very low	24.4	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	80%	0.796	S	S	*	*			cis	-169.1	166.4	35.8	-170.8	0	0	0	0	109.7	N560	S558-N560 PolarHBondContact O-N 2.78Å
559	L	22.2	Very low	24.3	Very low	156 Å²	156	139.7 Å²	139.7	82%	0.817	80%	0.801	S	S	*	*			trans	-61.1	122.9	176	-75.2	86.4	0	0	0	112.4	S561	L559-S561 PolarHBondContact O-N 2.91Å
560	N	24.5	Very low	24.2	Very low	172 Å²	172	139.7 Å²	139.7	92%	0.92	80%	0.799	S	S	*	*			trans	-87.1	94.5	159.7	-88	-12.8	0	0	0	109.5	S558	S558-N560 PolarHBondContact O-N 2.78Å
561	S	22.7	Very low	24.4	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	80%	0.799	S	S	*	*			trans	-84.7	155.2	155.6	67.3	0	0	0	0	109.3	L559	L559-S561 PolarHBondContact O-N 2.91Å
562	A	24.6	Very low	24.5	Very low	82 Å²	82	140.2 Å²	140.2	68%	0.678	80%	0.8	S	S	*	*			trans	73.5	89.2	170.9	0	0	0	0	0	117.5
563	N	26.9	Very low	24.2	Very low	175 Å²	175	144 Å²	144	94%	0.936	81%	0.805	S	S	*	*			trans	-124.9	97.1	133	-93.9	-28	0	0	0	107.9
564	R	23	Very low	24.1	Very low	241 Å²	241	143.2 Å²	143.2	91%	0.909	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.5	168.1	-74.4	-177.7	-179.1	-159.4	0.8	107.8
565	S	24.1	Very low	24	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.4	138.8	165.7	51	0	0	0	0	110.6
566	P	27	Very low	23.9	Very low	129 Å²	129	145 Å²	145	84%	0.838	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.2	142.3	172.8	31.5	-30.7	0	0	0	110.8
567	F	22	Very low	24.5	Very low	184 Å²	184	143.8 Å²	143.8	81%	0.807	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-77.5	154.3	179.7	-93.5	-98	0	0	0	112.6
568	I	22	Very low	24.6	Very low	124 Å²	124	141.5 Å²	141.5	64%	0.636	78%	0.783	S	S	*	*			trans	75	114.5	147.5	-62.8	155.8	0	0	0	118
569	N	23.8	Very low	24.4	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	79%	0.787	S	S	*	*				-153	118.2	115	-92.6	-21.1	0	0	0	110.5
570	T	22.5	Very low	24.2	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	79%	0.79	S	S	*	*			trans	-83.9	161.4	175.3	37.8	0	0	0	0	111.8
571	P	29.9	Very low	24	Very low	125 Å²	125	142.6 Å²	142.6	81%	0.812	78%	0.781	S	S	*	*			trans	-94.6	151.9	-163.7	36.5	-31.9	0	0	0	113.6
572	T	25.6	Very low	24	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	78%	0.782	S	S	*	*			trans	-115.1	121.2	173.7	48.7	0	0	0	0	111
573	K	22.7	Very low	23.8	Very low	190 Å²	190	151.5 Å²	151.5	83%	0.826	79%	0.789	S	S	*	*			trans	52.7	148.6	131.7	-72.2	-168.6	167.7	-178.2	0	119.9
574	I	21.9	Very low	23.6	Very low	116 Å²	116	150.6 Å²	150.6	60%	0.595	78%	0.784	S	S	*	*			cis	-179.8	163.4	-11.4	-105.7	169.4	0	0	0	103.6
575	E	22.6	Very low	23.4	Very low	169 Å²	169	145.3 Å²	145.3	79%	0.79	77%	0.772	S	S	*	*			trans	84.1	93.5	160.3	-83.4	149.3	-146	0	0	120.3
576	S	21.1	Very low	23.4	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	78%	0.781	S	S	*	*				40.4	169.2	100	83.8	0	0	0	0	121.1
577	P	35	Very low	23.3	Very low	110 Å²	110	147.7 Å²	147.7	71%	0.714	77%	0.769	S	S	*	*				-124	170.2	-102.7	33.6	-13.3	0	0	0	113.5
578	I	28	Very low	23.4	Very low	173 Å²	173	149 Å²	149	89%	0.887	78%	0.775	S	S	*	*			trans	-152.4	141.2	150.9	-88.6	126.4	0	0	0	110.4
579	T	20.3	Very low	23.4	Very low	136 Å²	136	149.6 Å²	149.6	83%	0.834	78%	0.78	S	S	*	*			trans	-72.7	162.7	-170.3	32.1	0	0	0	0	116.4
580	L	18.2	Very low	23.2	Very low	168 Å²	168	149.2 Å²	149.2	88%	0.88	78%	0.775	S	S	*	*			trans	-90.4	118.4	-176	-167.5	158.5	0	0	0	109.4
581	E	21	Very low	23.4	Very low	155 Å²	155	152.6 Å²	152.6	72%	0.724	78%	0.782	S	S	*	*			trans	-156.4	139.2	167.4	-94.8	-99.7	143.2	0	0	110.4
582	Q	22.7	Very low	23	Very low	158 Å²	158	153.4 Å²	153.4	74%	0.738	78%	0.779	S	S	*	*			trans	87.5	90.9	154.3	-68.2	162.8	9.1	0	0	120.7
583	Y	20	Very low	23.4	Very low	213 Å²	213	153.1 Å²	153.1	84%	0.835	78%	0.783	S	S	*	*				21.1	131.3	112.8	-77.3	-87.7	0	0	0	120.3
584	L	22.4	Very low	23.4	Very low	157 Å²	157	152.4 Å²	152.4	82%	0.822	78%	0.783	S	S	*	*			trans	167.5	103.7	131.2	-89.7	154.1	0	0	0	109.1
585	I	19.4	Very low	23.6	Very low	130 Å²	130	154.4 Å²	154.4	67%	0.667	79%	0.794	S	S	*	*				57.5	111.8	91.9	-53.7	174.7	0	0	0	115
586	H	23	Very low	24	Very low	179 Å²	179	154.8 Å²	154.8	83%	0.829	80%	0.8	S	S	*	*				-169.2	150.9	113.3	-120.3	-94.6	0	0	0	112.2
587	P	24.8	Very low	24.2	Very low	92 Å²	92	155.7 Å²	155.7	60%	0.597	80%	0.796	S	S	*	*			trans	-101.7	167.9	-168.4	36	-21.9	0	0	0	113.2
588	F	24.5	Very low	24.2	Very low	211 Å²	211	155.4 Å²	155.4	93%	0.925	79%	0.794	S	S	*	*			trans	-131.5	130.2	164.8	-104.9	-87	0	0	0	110.6
589	D	22.7	Very low	24.2	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	79%	0.787	S	S	*	*			trans	-58.4	140.3	-178.8	-64.9	-53.8	0	0	0	113.7
590	M	19.9	Very low	24.6	Very low	156 Å²	156	155.3 Å²	155.3	77%	0.768	79%	0.791	S	S	*	*				71.1	114.8	91.8	-154.5	177.9	115.6	0	0	113.5
591	E	25.2	Very low	25.1	Very low	192 Å²	192	154.7 Å²	154.7	90%	0.897	79%	0.787	S	S	*	*				-162.1	127.2	128.9	-81.5	-141.2	153	0	0	109.8
592	D	22.8	Very low	25.2	Very low	141 Å²	141	154.7 Å²	154.7	75%	0.754	79%	0.792	S	S	*	*			trans	-74.3	143.9	175.8	-63.5	-56.3	0	0	0	111.4
593	S	32.4	Very low	25.3	Very low	124 Å²	124	156.4 Å²	156.4	87%	0.867	80%	0.799	S	S	*	*			trans	-142.7	70.7	160.7	64.2	0	0	0	0	109.8
594	E	22.6	Very low	25.6	Very low	175 Å²	175	151.9 Å²	151.9	82%	0.818	80%	0.799	S	S	*	*			trans	-75.8	126.5	152.7	-73.3	-168.3	154.7	0	0	108.5
595	N	27.8	Very low	25.5	Very low	157 Å²	157	152.2 Å²	152.2	84%	0.84	80%	0.8	S	S	*	*			trans	148.5	88.3	147.8	-80.5	-37.5	0	0	0	111.9
596	I	29.9	Very low	25.6	Very low	177 Å²	177	150.9 Å²	150.9	91%	0.908	80%	0.802	S	S	*	*			trans	-135.5	110.9	144.8	-59.7	-177.9	0	0	0	107.4
597	N	26.7	Very low	25.7	Very low	127 Å²	127	147.4 Å²	147.4	68%	0.679	80%	0.798	S	S	*	*			trans	-67.9	142.8	-179.4	-167.9	20.5	0	0	0	110.8	D599	N597-D599 PolarHBondContact O-N 2.68Å
598	P	33.5	Very low	25.8	Very low	104 Å²	104	151.4 Å²	151.4	68%	0.675	81%	0.809	S	S	*	*	S	Bend	trans	-92.5	25.8	-166.9	25.5	-11.3	0	0	0	116.1
599	D	28.8	Very low	25.7	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	80%	0.799	S	S	*	*			trans	-97.2	6.1	-174.6	-83.8	-20.5	0	0	0	116.5	N597 L601	N597-D599 PolarHBondContact O-N 2.68Å; D599-L601 VanDerWaalsContact C-N 3.34Å; D599-L601 PolarHBondContact O-N 3.22Å
600	D	28.7	Very low	25.8	Very low	171 Å²	171	146 Å²	146	91%	0.914	81%	0.805	S	S	*	*			trans	-90.3	9.1	176.1	-90.6	-17.7	0	0	0	114.6	L602	D600-L602 PolarHBondContact O-N 3.3Å
601	L	28.4	Very low	26.1	Very low	154 Å²	154	144.1 Å²	144.1	81%	0.806	81%	0.805	S	S	*	*	S	Bend	trans	-94	77.9	168.6	-84.2	159.4	0	0	0	109.4	D599	D599-L601 VanDerWaalsContact C-N 3.34Å; D599-L601 PolarHBondContact O-N 3.22Å
602	L	22.5	Very low	26	Very low	156 Å²	156	143 Å²	143	82%	0.817	80%	0.804	S	S	*	*	S	Bend	trans	164.2	89.5	151.3	-88.8	158.4	0	0	0	109.9	D600	D600-L602 PolarHBondContact O-N 3.3Å
603	H	25.7	Very low	26	Very low	193 Å²	193	143.3 Å²	143.3	89%	0.894	81%	0.806	S	S	*	*			trans	168.6	98.9	139.9	-91.7	-63.5	0	0	0	110.4
604	S	25.1	Very low	25.7	Very low	118 Å²	118	143 Å²	143	83%	0.825	80%	0.802	S	S	*	*				170.1	100.8	122.4	67.8	0	0	0	0	109.6
605	I	21	Very low	26	Very low	164 Å²	164	141.6 Å²	141.6	84%	0.841	81%	0.805	S	S	*	*			trans	-71.1	144.2	157	-69.3	163.6	0	0	0	107.6
606	S	21.7	Very low	25.9	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	81%	0.806	S	S	*	*			trans	105	125	154.9	77.3	0	0	0	0	119.5
607	S	24.4	Very low	25.6	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	80%	0.796	S	S	*	*			trans	74.7	111.6	152.4	73.1	0	0	0	0	118.1
608	Q	27.5	Very low	25.6	Very low	177 Å²	177	142 Å²	142	83%	0.827	81%	0.807	S	S	*	*				-171.7	112	122.8	-90	-64.2	-24.9	0	0	105.9
609	G	22	Very low	25.4	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	81%	0.814	S	S	*	*			trans	-65.6	134.6	174.6	0	0	0	0	0	110
610	L	26.2	Very low	25.3	Very low	164 Å²	164	145 Å²	145	86%	0.859	82%	0.821	S	S	*	*			trans	-104.5	127.1	169.5	-81.4	165.6	0	0	0	109.4
611	P	24.5	Very low	25.3	Very low	117 Å²	117	144.8 Å²	144.8	76%	0.76	82%	0.82	S	S	*	*			trans	-73.4	144.1	-174	-9	25.5	0	0	0	111.9	D613	P611-D613 PolarHBondContact O-N 3.23Å
612	L	23.3	Very low	25.2	Very low	168 Å²	168	145.9 Å²	145.9	88%	0.88	82%	0.821	S	S	*	*			trans	-67.3	109.7	160.9	-70.1	97.9	0	0	0	108.7
613	D	23.2	Very low	25.4	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	82%	0.815	S	S	*	*			trans	-164	126.3	144.1	-104.4	-18.9	0	0	0	111.6	P611	P611-D613 PolarHBondContact O-N 3.23Å
614	C	25.7	Very low	25.6	Very low	117 Å²	117	139.4 Å²	139.4	79%	0.791	81%	0.808	S	S	*	*			trans	41.8	98.3	153.7	-54.7	0	0	0	0	120
615	V	29.2	Very low	25.7	Very low	146 Å²	146	140.9 Å²	140.9	89%	0.885	81%	0.805	S	S	*	*			trans	-135.4	106.6	143.2	-177.1	0	0	0	0	109.6
616	D	26.5	Very low	25.9	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	80%	0.8	S	S	*	*			trans	-61.1	142.7	165.3	-82.6	-46.9	0	0	0	111.6
617	G	24.1	Very low	26.1	Very low	68 Å²	68	145.4 Å²	145.4	70%	0.701	81%	0.805	S	S	*	*	S	Bend	trans	85.3	104.5	140.4	0	0	0	0	0	118.2
618	R	26.1	Very low	26.1	Very low	242 Å²	242	145.6 Å²	145.6	91%	0.913	81%	0.805	S	S	*	*			trans	66.1	99.1	152	-56.9	-177.2	179.7	-168.2	0.8	116
619	V	28.9	Very low	26	Very low	134 Å²	134	142 Å²	142	81%	0.812	80%	0.799	S	S	*	*				167.4	86.1	127.8	163.7	0	0	0	0	106.9
620	L	27.2	Very low	26.3	Very low	170 Å²	170	144.5 Å²	144.5	89%	0.89	80%	0.8	S	S	*	*			trans	-138.4	30.3	162.8	-78	179.7	0	0	0	111.2	Q622	L620-Q622 VanDerWaalsContact C-N 3.28Å; L620-Q622 PolarHBondContact O-N 3.06Å
621	N	28.5	Very low	26.3	Very low	165 Å²	165	143.7 Å²	143.7	88%	0.882	80%	0.797	S	S	*	*			trans	-93.8	63.7	162.3	-82.7	-3	0	0	0	109.1
622	Q	26.9	Very low	26.4	Very low	178 Å²	178	149.1 Å²	149.1	83%	0.832	80%	0.802	S	S	*	*			trans	-166.3	73	162.8	-105.1	167.9	34.7	0	0	107.3	L620	L620-Q622 VanDerWaalsContact C-N 3.28Å; L620-Q622 PolarHBondContact O-N 3.06Å
623	S	26.8	Very low	26.7	Very low	100 Å²	100	149.5 Å²	149.5	70%	0.699	80%	0.804	S	S	*	*			trans	-59.1	125.4	154.9	47	0	0	0	0	107	I625	S623-I625 PolarHBondContact O-N 3.41Å
624	P	28.3	Very low	27	Very low	113 Å²	113	147 Å²	147	73%	0.734	80%	0.803	S	S	*	*			trans	-62.1	115.5	-176.4	24.6	-31.3	0	0	0	108.2	I626	P624-I626 PolarHBondContact O-N 2.91Å
625	I	27.1	Very low	27.2	Very low	148 Å²	148	151.4 Å²	151.4	76%	0.759	81%	0.805	S	S	*	*			trans	-67.4	93	167.3	-60.8	171.6	0	0	0	105.1	S623 R627	S623-I625 PolarHBondContact O-N 3.41Å; I625-R627 HydrophobicContact CG2-CG 3.95Å; I625-R627 PolarHBondContact O-N 2.97Å
626	I	26.7	Very low	27.3	Very low	143 Å²	143	150 Å²	150	73%	0.733	79%	0.793	S	S	*	*			trans	-65.9	94.2	160.7	-59.8	175.2	0	0	0	104.7	P624 C628	P624-I626 PolarHBondContact O-N 2.91Å; I626-C628 PolarHBondContact O-N 3.13Å
627	R	24.1	Very low	27.9	Very low	219 Å²	219	146.9 Å²	146.9	83%	0.826	78%	0.781	S	S	*	*			trans	-65.3	104.4	164.9	-77	-171.4	178.6	171.1	0.8	105.9	I625 S629	I625-R627 HydrophobicContact CG2-CG 3.95Å; I625-R627 PolarHBondContact O-N 2.97Å; R627-S629 PolarHBondContact O-N 2.94Å
628	C	24.8	Very low	28.2	Very low	110 Å²	110	150.5 Å²	150.5	74%	0.743	78%	0.784	S	S	*	*			trans	-62.8	94.9	157.1	-69.5	0	0	0	0	106.8	I626 V630	I626-C628 PolarHBondContact O-N 3.13Å; C628-V630 PolarHBondContact O-N 2.76Å
629	S	24.9	Very low	28.4	Very low	101 Å²	101	143 Å²	143	71%	0.706	77%	0.769	S	S	*	*			trans	-58.3	107.1	156.1	-91.7	0	0	0	0	106	R627 D631	R627-S629 PolarHBondContact O-N 2.94Å; S629-D631 VanDerWaalsContact C-N 3.34Å; S629-D631 PolarHBondContact O-N 2.85Å; S629-D631 VanDerWaalsContact O-N 3.13Å
630	V	29.6	Very low	28.3	Very low	123 Å²	123	142.7 Å²	142.7	75%	0.745	77%	0.77	S	S	*	*			trans	-70.5	103.2	161.2	176.8	0	0	0	0	104.5	C628 R632	C628-V630 PolarHBondContact O-N 2.76Å; V630-R632 PolarHBondContact O-N 2.58Å
631	D	26.6	Very low	28.5	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	77%	0.766	S	S	*	*			trans	-56.8	93	167.4	-72.7	-30.3	0	0	0	107.8	S629 L633	S629-D631 VanDerWaalsContact C-N 3.34Å; S629-D631 PolarHBondContact O-N 2.85Å; S629-D631 VanDerWaalsContact O-N 3.13Å; D631-L633 PolarHBondContact O-N 3.01Å; D631-L633 VanDerWaalsContact O-N 3.1Å
632	R	26.3	Very low	28.5	Very low	231 Å²	231	139.3 Å²	139.3	87%	0.872	76%	0.763	S	S	*	*			trans	-68	106.4	162.7	-82.2	-174.1	173.5	179.2	-1.1	105.4	V630 A634	V630-R632 PolarHBondContact O-N 2.58Å; R632-A634 PolarHBondContact O-N 3.35Å
633	L	29.3	Very low	28.6	Very low	175 Å²	175	136.7 Å²	136.7	92%	0.916	76%	0.761	S	S	*	*			trans	-40.5	111.7	167.2	-80.7	159	0	0	0	109.1	D631 Y635	D631-L633 PolarHBondContact O-N 3.01Å; D631-L633 VanDerWaalsContact O-N 3.1Å; L633-Y635 PolarHBondContact O-N 3Å; L633-Y635 VanDerWaalsContact O-N 3.08Å
634	A	29	Very low	28.8	Very low	95 Å²	95	137.6 Å²	137.6	79%	0.785	77%	0.768	S	S	*	*			trans	-62	112.4	175.5	0	0	0	0	0	107.9	R632 N636	R632-A634 PolarHBondContact O-N 3.35Å; A634-N636 PolarHBondContact O-N 3.31Å
635	Y	29.3	Very low	28.7	Very low	210 Å²	210	140.7 Å²	140.7	82%	0.824	77%	0.769	S	S	*	*			trans	-62.5	102.8	171.3	179.2	-99.1	0	0	0	108	L633 P637	L633-Y635 PolarHBondContact O-N 3Å; L633-Y635 VanDerWaalsContact O-N 3.08Å; Y635-P637 HydrophobicContact CE1-CB 4.23Å; Y635-P637 WeakPolarHBondContact O-CD 3.39Å
636	N	31.4	Very low	28.4	Very low	118 Å²	118	145.4 Å²	145.4	63%	0.631	78%	0.778	S	S	*	*			trans	-88.1	110.7	177	-168	-11.5	0	0	0	108.7	A634 N638	A634-N636 PolarHBondContact O-N 3.31Å; N636-N638 PolarHBondContact O-N 3.34Å; N636-N638 VanDerWaalsContact O-N 3.11Å
637	P	39	Very low	28.5	Very low	94 Å²	94	147.3 Å²	147.3	61%	0.61	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	3.7	-168.5	28.4	-32.8	0	0	0	115.2	Y635	Y635-P637 HydrophobicContact CE1-CB 4.23Å; Y635-P637 WeakPolarHBondContact O-CD 3.39Å
638	N	30.4	Very low	28.5	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	19.2	-171	-72.5	-14.7	0	0	0	116.6	N636	N636-N638 PolarHBondContact O-N 3.34Å; N636-N638 VanDerWaalsContact O-N 3.11Å
639	S	30.9	Very low	28.6	Very low	86 Å²	86	145.1 Å²	145.1	60%	0.601	78%	0.784	S	S	*	*			trans	-94.1	121.2	170.7	65	0	0	0	0	112.2
640	P	27.9	Very low	28.7	Very low	127 Å²	127	145 Å²	145	83%	0.825	78%	0.783	S	S	*	*			trans	-81.9	118.6	178.3	31	-29.4	0	0	0	110.7
641	T	31.4	Very low	28.5	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	78%	0.783	S	S	*	*			trans	-123	112.6	165.5	52	0	0	0	0	110
642	T	28.8	Very low	28.4	Very low	133 Å²	133	147 Å²	147	82%	0.816	79%	0.788	S	S	*	*			trans	-58.2	152.3	178.5	44.2	0	0	0	0	113.9
643	P	28.1	Very low	28.3	Very low	123 Å²	123	143.4 Å²	143.4	80%	0.799	78%	0.782	S	S	*	*			trans	-80.1	125	-162.7	31.2	-33.6	0	0	0	113	K645	P643-K645 PolarHBondContact O-N 3.21Å
644	S	30.2	Very low	28.1	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	77%	0.774	S	S	*	*			trans	-76.5	114.5	167.9	46.9	0	0	0	0	110.4	R646	S644-R646 PolarHBondContact O-N 2.97Å
645	K	27.2	Very low	27.9	Very low	178 Å²	178	143 Å²	143	77%	0.774	77%	0.774	S	S	*	*			trans	-34.3	120.7	177.7	-68.5	167.6	176.7	175.8	0	114.9	P643 F647	P643-K645 PolarHBondContact O-N 3.21Å; K645-F647 HydrophobicContact CB-CE2 4.45Å
646	R	21.5	Very low	27.9	Very low	247 Å²	247	142.3 Å²	142.3	93%	0.932	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-67.6	125.1	152	-72.7	179.1	176.4	169.1	-1.2	108.7	S644	S644-R646 PolarHBondContact O-N 2.97Å
647	F	27.6	Very low	27.5	Very low	182 Å²	182	143.8 Å²	143.8	80%	0.798	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-97.6	123.2	159.9	-82	-80.6	0	0	0	108.9	K645	K645-F647 HydrophobicContact CB-CE2 4.45Å
648	P	23.9	Very low	26.9	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-88.5	134.5	170	33.9	-27	0	0	0	109.1
649	L	27	Very low	26.7	Very low	170 Å²	170	144.4 Å²	144.4	89%	0.89	79%	0.793	S	S	*	*			trans	-127.8	103.3	162.8	-80.8	167.5	0	0	0	109
650	S	27.2	Very low	26.3	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	81%	0.807	S	S	*	*			trans	-50.8	142.3	166.4	45.3	0	0	0	0	113.7
651	L	25.1	Very low	26.2	Very low	142 Å²	142	146.3 Å²	146.3	74%	0.743	80%	0.803	S	S	*	*			trans	31.8	92.7	131.2	-147.4	81.6	0	0	0	116.9
652	N	25.3	Very low	25.6	Very low	171 Å²	171	149 Å²	149	91%	0.914	81%	0.806	S	S	*	*			trans	-94.6	95.3	156.8	-85.4	-23.4	0	0	0	108.9
653	Q	24.3	Very low	25.4	Very low	156 Å²	156	148.7 Å²	148.7	73%	0.729	81%	0.807	S	S	*	*			trans	-85.1	156.3	154.2	-89.8	-179.5	-15.5	0	0	109.6
654	S	24.5	Very low	25.1	Very low	107 Å²	107	147.5 Å²	147.5	75%	0.748	80%	0.802	S	S	*	*			trans	69.5	88.8	159.7	70.1	0	0	0	0	118.8
655	I	25.4	Very low	24.8	Very low	153 Å²	153	147.9 Å²	147.9	79%	0.785	80%	0.798	S	S	*	*			trans	-145.3	94.9	136.5	-52.3	179.9	0	0	0	107.9
656	F	28.9	Very low	24.6	Very low	196 Å²	196	146 Å²	146	86%	0.86	80%	0.797	S	S	*	*			trans	168.6	82.3	132.9	-90.3	-67.6	0	0	0	108.1
657	N	23.1	Very low	24.6	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	79%	0.79	S	S	*	*			trans	-62.2	139.4	152.5	-73.1	-29	0	0	0	108.9
658	T	26.8	Very low	24.5	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	79%	0.79	S	S	*	*			trans	177.9	150.6	136.1	27.9	0	0	0	0	109.4
659	P	26	Very low	24.6	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	79%	0.785	S	S	*	*				-109	161	-117.8	37.7	-33.4	0	0	0	115	S661	P659-S661 PolarHBondContact O-N 3.16Å
660	T	21.6	Very low	24.5	Very low	148 Å²	148	137.9 Å²	137.9	91%	0.908	78%	0.781	S	S	*	*			trans	-67.2	114.3	163.5	46.8	0	0	0	0	111
661	S	25.8	Very low	24.1	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	79%	0.788	S	S	*	*			trans	-133	118.4	152.3	51.7	0	0	0	0	109.2	P659	P659-S661 PolarHBondContact O-N 3.16Å
662	Q	19.9	Very low	24	Very low	186 Å²	186	140.2 Å²	140.2	87%	0.869	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63	146.6	170.4	-65.7	170.9	-37	0	0	110.3
663	P	24.9	Very low	24.2	Very low	128 Å²	128	138.2 Å²	138.2	83%	0.831	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-101.5	118.4	139.8	27.2	-14.4	0	0	0	108.7
664	S	21.3	Very low	24.1	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.2	139.5	161.1	46.7	0	0	0	0	111.5
665	V	22.7	Very low	24.4	Very low	126 Å²	126	144.3 Å²	144.3	76%	0.764	78%	0.784	S	S	*	*			trans	62.1	109.8	137.1	-172.4	0	0	0	0	116.8
666	D	23.8	Very low	24.3	Very low	139 Å²	139	148.3 Å²	148.3	74%	0.743	79%	0.789	S	S	*	*				-167.2	134	115.5	-96.3	-29.9	0	0	0	112.5
667	E	21.6	Very low	24	Very low	169 Å²	169	149 Å²	149	79%	0.79	79%	0.786	S	S	*	*			trans	39.8	122.1	143.6	-59.5	-173.1	142	0	0	120.3
668	L	26.4	Very low	24.2	Very low	153 Å²	153	151.7 Å²	151.7	80%	0.801	79%	0.785	S	S	*	*				178	131.9	95.9	-160.5	65.7	0	0	0	112.1
669	S	25.6	Very low	24	Very low	89 Å²	89	149.4 Å²	149.4	62%	0.622	77%	0.774	S	S	*	*			trans	64.4	99.8	156.1	60.9	0	0	0	0	118.8
670	T	24.2	Very low	24.2	Very low	131 Å²	131	150.4 Å²	150.4	80%	0.804	77%	0.774	S	S	*	*				57.5	95.6	80.7	64.8	0	0	0	0	113.1
671	M	19.7	Very low	24.3	Very low	172 Å²	172	149.6 Å²	149.6	85%	0.847	76%	0.762	S	S	*	*				56.8	132.9	78.4	-89.9	-77.9	-179.7	0	0	116
672	E	22.9	Very low	24.3	Very low	117 Å²	117	152.9 Å²	152.9	55%	0.547	76%	0.764	S	S	.	*			trans	85.4	105.8	147	-72.1	-177.5	136.8	0	0	120.2	R674	E672-R674 HydrophobicContact CB-CG 4.32Å; E672-R674 HydrophobicContact CG-CG 4.27Å; E672-R674 IonicContact OE1-CZ 3.92Å; E672-R674 IonicContact OE1-NE 3.96Å; E672-R674 PolarHBondContact OE1-NE 3.43Å; E672-R674 IonicContact OE1-NH2 3.8Å; E672-R674 PolarHBondContact OE1-NH2 2.89Å; E672-R674 IonicContact OE2-CZ 3.59Å; E672-R674 IonicContact OE2-NE 3.36Å; E672-R674 PolarHBondContact OE2-NE 2.86Å; E672-R674 VanDerWaalsContact OE2-NE 3.15Å; E672-R674 IonicContact OE2-NH2 2.94Å; E672-R674 PolarHBondContact OE2-NH2 2.92Å
673	S	29.3	Very low	24.5	Very low	129 Å²	129	150 Å²	150	90%	0.902	75%	0.754	S	S	*	*			trans	-115.2	101	131.9	13.8	0	0	0	0	109.8
674	R	22.3	Very low	24.4	Very low	190 Å²	190	149.1 Å²	149.1	72%	0.717	75%	0.746	S	S	*	*			trans	-64.3	133.9	171.7	-66.9	167.1	172.4	165.8	0.8	111.8	E672	E672-R674 HydrophobicContact CB-CG 4.32Å; E672-R674 HydrophobicContact CG-CG 4.27Å; E672-R674 IonicContact OE1-CZ 3.92Å; E672-R674 IonicContact OE1-NE 3.96Å; E672-R674 PolarHBondContact OE1-NE 3.43Å; E672-R674 IonicContact OE1-NH2 3.8Å; E672-R674 PolarHBondContact OE1-NH2 2.89Å; E672-R674 IonicContact OE2-CZ 3.59Å; E672-R674 IonicContact OE2-NE 3.36Å; E672-R674 PolarHBondContact OE2-NE 2.86Å; E672-R674 VanDerWaalsContact OE2-NE 3.15Å; E672-R674 IonicContact OE2-NH2 2.94Å; E672-R674 PolarHBondContact OE2-NH2 2.92Å
675	K	30.5	Very low	24.6	Very low	201 Å²	201	149.4 Å²	149.4	87%	0.874	75%	0.748	S	S	*	*			trans	-142.1	97.5	142.7	-89.5	-178.4	178.7	173.6	0	106.4
676	R	22.9	Very low	25.3	Very low	237 Å²	237	149.4 Å²	149.4	89%	0.894	75%	0.751	S	S	*	*				43.8	115.9	102.8	-75.8	-176.9	166.1	175.1	-2.8	110.6
677	R	24	Very low	25.2	Very low	211 Å²	211	146.6 Å²	146.6	80%	0.796	76%	0.755	S	S	*	*				178.9	155.3	58.5	-127.2	-178.8	169.4	-169.3	-3.6	111.4
678	R	25.5	Very low	25.6	Very low	206 Å²	206	144 Å²	144	78%	0.777	76%	0.756	S	S	*	*			trans	73.1	107.1	160.1	-72.3	-178.1	164.9	164.1	-6.5	117.2
679	S	23.5	Very low	25.4	Very low	87 Å²	87	142.1 Å²	142.1	61%	0.608	76%	0.755	S	S	*	*				84.8	134.3	52.8	76.9	0	0	0	0	114.2
680	D	30.4	Very low	25.8	Very low	135 Å²	135	143.8 Å²	143.8	72%	0.722	76%	0.763	S	S	*	*			trans	94.6	90.1	166.8	-44.3	-23.9	0	0	0	112.9
681	I	22.6	Very low	25.9	Very low	131 Å²	131	143.9 Å²	143.9	67%	0.672	76%	0.764	S	S	*	*				71.9	130	61.8	-47.1	170.3	0	0	0	113.4
682	F	25.9	Very low	26.2	Very low	176 Å²	176	143.5 Å²	143.5	77%	0.772	77%	0.765	S	S	*	*			trans	83	136.2	168	-62.1	-65	0	0	0	116.1
683	D	24.2	Very low	26.3	Very low	126 Å²	126	145.8 Å²	145.8	67%	0.674	78%	0.78	S	S	*	*			cis	-170.6	150.6	-0.2	-127	-7.9	0	0	0	110.1
684	V	23.6	Very low	26.1	Very low	108 Å²	108	145.1 Å²	145.1	66%	0.655	77%	0.77	S	S	*	*			trans	60.4	105.3	134.5	175.5	0	0	0	0	121.5
685	S	25	Very low	26.2	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	78%	0.775	S	S	*	*				68.3	170.3	122.3	-48.9	0	0	0	0	121.5
686	P	37.4	Very low	25.8	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	77%	0.771	S	S	*	*				-132.4	169.8	-68.5	38.7	-22.8	0	0	0	113.1
687	G	23	Very low	26	Very low	80 Å²	80	133 Å²	133	83%	0.825	76%	0.764	S	S	*	*			trans	69.6	98.9	141.7	0	0	0	0	0	119.2
688	S	28.8	Very low	26	Very low	116 Å²	116	134 Å²	134	81%	0.811	77%	0.768	S	S	*	*			trans	-152.3	101.7	145.7	56.3	0	0	0	0	109.6
689	S	23.2	Very low	26.1	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	77%	0.769	S	S	*	*			trans	-64.3	129.1	167.9	30.6	0	0	0	0	110.7
690	P	32.5	Very low	26.1	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	78%	0.776	S	S	*	*			trans	-85.9	114.8	163.7	31.5	-24.7	0	0	0	108.3
691	T	26.7	Very low	25.6	Very low	133 Å²	133	134.3 Å²	134.3	82%	0.816	78%	0.776	S	S	*	*			trans	-52.1	132.7	170.6	14	0	0	0	0	111.7	L693	T691-L693 PolarHBondContact O-N 2.88Å
692	L	25.2	Very low	25.8	Very low	164 Å²	164	133.5 Å²	133.5	86%	0.859	78%	0.779	S	S	*	*			trans	-59.1	110.5	166.5	-72.6	164.3	0	0	0	109.5	V694	L692-V694 PolarHBondContact O-N 2.92Å
693	L	26.9	Very low	25.7	Very low	166 Å²	166	132.5 Å²	132.5	87%	0.869	78%	0.782	S	S	*	*			trans	-77.4	99.3	165.4	-82.4	170.2	0	0	0	109.1	T691 N695	T691-L693 PolarHBondContact O-N 2.88Å; L693-N695 PolarHBondContact O-N 3.05Å
694	V	23.5	Very low	26	Very low	115 Å²	115	130.1 Å²	130.1	70%	0.697	78%	0.775	S	S	*	*			trans	-62.5	103.6	160.7	175.2	0	0	0	0	108	L692	L692-V694 PolarHBondContact O-N 2.92Å
695	N	24.7	Very low	26.2	Very low	154 Å²	154	131.7 Å²	131.7	82%	0.824	79%	0.785	S	S	*	*			trans	-99.8	89.7	158.4	-94.4	-6.9	0	0	0	108.4	L693 S697	L693-N695 PolarHBondContact O-N 3.05Å; N695-S697 PolarHBondContact O-N 2.9Å
696	S	22.9	Very low	26.3	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	78%	0.782	S	S	*	*			trans	-63.9	114	156.8	-83.9	0	0	0	0	108.6
697	S	27.3	Very low	25.8	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	79%	0.785	S	S	*	*			trans	-138.8	129.6	151.7	58.2	0	0	0	0	108.1	N695 I699	N695-S697 PolarHBondContact O-N 2.9Å; S697-I699 PolarHBondContact O-N 2.75Å
698	R	23.5	Very low	26	Very low	231 Å²	231	139.7 Å²	139.7	87%	0.872	78%	0.78	S	S	*	*			trans	-55.8	128.1	-164.6	-69.7	167	174.3	169.9	-3.3	111.6	D700	R698-D700 PolarHBondContact O-N 3.27Å
699	I	26.3	Very low	26	Very low	155 Å²	155	139.8 Å²	139.8	80%	0.795	78%	0.776	S	S	*	*			trans	-81.2	96.3	163.7	-62.7	169.2	0	0	0	105.7	S697 L701	S697-I699 PolarHBondContact O-N 2.75Å; I699-L701 PolarHBondContact O-N 3.21Å
700	D	23.6	Very low	26.2	Very low	142 Å²	142	143 Å²	143	76%	0.759	78%	0.778	S	S	*	*			trans	-71.1	115.9	164.4	-76.9	-31	0	0	0	108.1	R698 P702	R698-D700 PolarHBondContact O-N 3.27Å; D700-P702 WeakPolarHBondContact O-CD 3.38Å
701	L	20.3	Very low	26.1	Very low	138 Å²	138	145.6 Å²	145.6	72%	0.723	78%	0.777	S	S	*	*			trans	-71	125.3	164.7	-87.5	84.1	0	0	0	109.2	I699	I699-L701 PolarHBondContact O-N 3.21Å
702	P	27.1	Very low	26.1	Very low	114 Å²	114	151.6 Å²	151.6	74%	0.74	79%	0.785	S	S	*	*			trans	-99.1	97.9	153.2	25.6	-8.6	0	0	0	108.4	D700 S704	D700-P702 WeakPolarHBondContact O-CD 3.38Å; P702-S704 VanDerWaalsContact C-N 3.29Å; P702-S704 PolarHBondContact O-N 3.18Å
703	N	24.3	Very low	26.2	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	79%	0.786	S	S	*	*			trans	-62.8	94.5	151.2	-83.3	-21.2	0	0	0	107.8
704	S	30	Very low	26.2	Very low	75 Å²	75	158 Å²	158	52%	0.524	79%	0.786	S	S	.	*			trans	-139.7	108.3	155.7	82.6	0	0	0	0	109.2	P702 N706	P702-S704 VanDerWaalsContact C-N 3.29Å; P702-S704 PolarHBondContact O-N 3.18Å; S704-N706 PolarHBondContact O-N 2.84Å; S704-N706 PolarHBondContact OG-ND2 3.12Å
705	V	27.5	Very low	26.3	Very low	142 Å²	142	160.4 Å²	160.4	86%	0.861	79%	0.794	S	S	*	*			trans	-61.6	84	168.3	178.7	0	0	0	0	107.9	R707	V705-R707 PolarHBondContact O-N 3.11Å
706	N	28.1	Very low	26.4	Very low	128 Å²	128	158.8 Å²	158.8	68%	0.684	79%	0.79	S	S	*	*			trans	-82.2	103	168.7	-82.5	-31.5	0	0	0	107.7	S704 V708	S704-N706 PolarHBondContact O-N 2.84Å; S704-N706 PolarHBondContact OG-ND2 3.12Å; N706-V708 VanDerWaalsContact C-N 3.29Å; N706-V708 PolarHBondContact O-N 2.93Å
707	R	25.4	Very low	26.7	Very low	232 Å²	232	158.1 Å²	158.1	88%	0.875	79%	0.791	S	S	*	*			trans	-53.6	94.4	162.7	-72	178.4	175.4	178.1	-1.6	108.3	V705 T709	V705-R707 PolarHBondContact O-N 3.11Å; R707-T709 VanDerWaalsContact C-N 3.3Å; R707-T709 PolarHBondContact O-N 3.31Å
708	V	29.2	Very low	26.6	Very low	117 Å²	117	162.1 Å²	162.1	71%	0.709	80%	0.795	S	S	*	*			trans	-72.3	94.1	170.8	-177.7	0	0	0	0	106.6	N706 E710	N706-V708 VanDerWaalsContact C-N 3.29Å; N706-V708 PolarHBondContact O-N 2.93Å; V708-E710 VanDerWaalsContact C-N 3.31Å; V708-E710 HydrophobicContact CG1-CG 3.72Å; V708-E710 PolarHBondContact O-N 3.29Å; V708-E710 VanDerWaalsContact O-N 3.07Å
709	T	27.5	Very low	26.8	Very low	119 Å²	119	156.8 Å²	156.8	73%	0.73	79%	0.791	S	S	*	*			trans	-68.2	96.8	157.5	43.1	0	0	0	0	106.4	R707 K711	R707-T709 VanDerWaalsContact C-N 3.3Å; R707-T709 PolarHBondContact O-N 3.31Å; T709-K711 PolarHBondContact O-N 3.05Å
710	E	28.5	Very low	26.8	Very low	180 Å²	180	154.6 Å²	154.6	84%	0.841	79%	0.789	S	S	*	*			trans	-66.7	80.7	174	-75.3	-165	152.1	0	0	109.9	V708 R712	V708-E710 VanDerWaalsContact C-N 3.31Å; V708-E710 HydrophobicContact CG1-CG 3.72Å; V708-E710 PolarHBondContact O-N 3.29Å; V708-E710 VanDerWaalsContact O-N 3.07Å; E710-R712 PolarHBondContact O-N 3.36Å
711	K	29.3	Very low	26.9	Very low	177 Å²	177	154.4 Å²	154.4	77%	0.77	79%	0.793	S	S	*	*			trans	-62.4	120.9	158.9	-77.3	-178	177	176.9	0	107.1	T709 R713	T709-K711 PolarHBondContact O-N 3.05Å; K711-R713 VanDerWaalsContact C-N 3.29Å; K711-R713 PolarHBondContact O-N 3.07Å
712	R	26.5	Very low	27.2	Very low	260 Å²	260	153 Å²	153	98%	0.981	80%	0.795	S	S	*	*			trans	-34.1	85.6	167.8	-85.8	178.9	168.6	177.8	-2.3	111.6	E710 R714	E710-R712 PolarHBondContact O-N 3.36Å; R712-R714 PolarHBondContact O-N 3.03Å
713	R	28	Very low	27.2	Very low	232 Å²	232	156.1 Å²	156.1	88%	0.875	80%	0.8	S	S	*	*			trans	-87.9	102.6	172	-90	-174.8	167.2	176.8	-2.2	106.8	K711 L715	K711-R713 VanDerWaalsContact C-N 3.29Å; K711-R713 PolarHBondContact O-N 3.07Å; R713-L715 PolarHBondContact O-N 3.22Å
714	R	27.3	Very low	27.1	Very low	232 Å²	232	154.3 Å²	154.3	88%	0.875	80%	0.8	S	S	*	*			trans	-48.6	108.5	162.9	-164	179.3	-168	-164.3	2.3	107.3	R712 T716	R712-R714 PolarHBondContact O-N 3.03Å; R714-T716 PolarHBondContact O-N 2.88Å
715	L	25.4	Very low	27	Very low	166 Å²	166	157.2 Å²	157.2	87%	0.869	81%	0.814	S	S	*	*			trans	-59.9	96.8	179.8	-75.8	161.6	0	0	0	109.3	R713	R713-L715 PolarHBondContact O-N 3.22Å
716	T	27.1	Very low	26.9	Very low	119 Å²	119	155 Å²	155	73%	0.73	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.9	124.5	158.8	47.6	0	0	0	0	107.2	R714 F718	R714-T716 PolarHBondContact O-N 2.88Å; T716-F718 PolarHBondContact O-N 3.34Å
717	A	27.5	Very low	26.6	Very low	99 Å²	99	153.9 Å²	153.9	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-46.6	129.4	-177.3	0	0	0	0	0	112.4
718	F	25.3	Very low	26.7	Very low	191 Å²	191	148.9 Å²	148.9	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-59.4	131.8	169.7	-76.9	-85.4	0	0	0	109.6	T716 S720	T716-F718 PolarHBondContact O-N 3.34Å; F718-S720 PolarHBondContact O-N 3.07Å
719	P	27.8	Very low	26.5	Very low	119 Å²	119	152.2 Å²	152.2	77%	0.773	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.6	126.8	176.5	26.9	-29.8	0	0	0	109.6	T721	P719-T721 PolarHBondContact O-N 2.71Å
720	S	27.9	Very low	26.5	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.4	172.8	52.4	0	0	0	0	110.1	F718 S722	F718-S720 PolarHBondContact O-N 3.07Å; S720-S722 PolarHBondContact O-N 3.08Å
721	T	26	Very low	26.3	Very low	138 Å²	138	150 Å²	150	85%	0.847	81%	0.812	S	S	*	*			trans	-63.2	97.6	169.5	-12	0	0	0	0	108.8	P719 Q723	P719-T721 PolarHBondContact O-N 2.71Å; T721-Q723 PolarHBondContact O-N 2.79Å
722	S	26.4	Very low	26.1	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	81%	0.812	S	S	*	*			trans	-81.8	92.9	169.4	56.4	0	0	0	0	108.6	S720 S724	S720-S722 PolarHBondContact O-N 3.08Å; S722-S724 PolarHBondContact O-N 3.42Å
723	Q	25.4	Very low	26	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	81%	0.807	S	S	*	*			trans	-81.2	110.9	158.6	-83.5	-173.5	-7.1	0	0	108.3	T721 V725	T721-Q723 PolarHBondContact O-N 2.79Å; Q723-V725 PolarHBondContact O-N 3.43Å
724	S	22.4	Very low	26	Very low	118 Å²	118	136.7 Å²	136.7	83%	0.825	80%	0.802	S	S	*	*			trans	-67.4	110	170.9	52.2	0	0	0	0	109.8	S722	S722-S724 PolarHBondContact O-N 3.42Å
725	V	27.6	Very low	25.9	Very low	136 Å²	136	130.7 Å²	130.7	82%	0.824	80%	0.796	S	S	*	*			trans	-107.5	122	160.4	178.5	0	0	0	0	107.6	Q723	Q723-V725 PolarHBondContact O-N 3.43Å
726	A	26.3	Very low	26	Very low	94 Å²	94	127.5 Å²	127.5	78%	0.777	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.4	-171.4	0	0	0	0	0	112.7
727	S	22	Very low	26	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74	133	169.5	52.1	0	0	0	0	111.7
728	P	28	Very low	26	Very low	127 Å²	127	129.3 Å²	129.3	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.4	129.3	159.9	10.9	4.7	0	0	0	110.1
729	K	23.5	Very low	26.2	Very low	188 Å²	188	125.3 Å²	125.3	82%	0.817	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.9	128.5	167.6	-68.3	172.4	175.3	175.4	0	109
730	N	27.8	Very low	26.3	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	80%	0.8	S	S	*	*				169.2	127.3	123.5	-84.5	-14	0	0	0	111.5
731	S	24.1	Very low	26.4	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	81%	0.807	S	S	*	*			trans	1.1	155.5	147.3	54.6	0	0	0	0	120.4
732	P	26.8	Very low	26.5	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	81%	0.81	S	S	*	*			cis	-135.9	164.8	31.8	32.9	-11.1	0	0	0	117.7
733	V	23.5	Very low	26.7	Very low	142 Å²	142	147.8 Å²	147.8	86%	0.861	81%	0.814	S	S	*	*			trans	-71.1	119.6	177.5	174	0	0	0	0	109.6
734	V	27.2	Very low	26.7	Very low	129 Å²	129	148.1 Å²	148.1	78%	0.782	82%	0.818	S	S	*	*			trans	-120.5	123.3	161.7	177.4	0	0	0	0	108.2	A736	V734-A736 PolarHBondContact O-N 3.07Å
735	S	25.3	Very low	27	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	81%	0.81	S	S	*	*			trans	-51.8	126.5	-179.4	45.5	0	0	0	0	112.9	A737	S735-A737 PolarHBondContact O-N 2.97Å; S735-A737 VanDerWaalsContact O-N 3.08Å
736	A	27.5	Very low	27.2	Very low	100 Å²	100	145.3 Å²	145.3	83%	0.826	80%	0.804	S	S	*	*			trans	-66.5	102	176.9	0	0	0	0	0	111.1	V734 N738	V734-A736 PolarHBondContact O-N 3.07Å; A736-N738 PolarHBondContact O-N 3.29Å
737	A	28	Very low	27.1	Very low	91 Å²	91	149.5 Å²	149.5	75%	0.752	81%	0.81	S	S	*	*			trans	-67.3	128.1	162.5	0	0	0	0	0	109.2	S735 S739	S735-A737 PolarHBondContact O-N 2.97Å; S735-A737 VanDerWaalsContact O-N 3.08Å; A737-S739 VanDerWaalsContact C-N 3.34Å; A737-S739 PolarHBondContact O-N 3.16Å
738	N	26.9	Very low	27.3	Very low	164 Å²	164	150 Å²	150	88%	0.877	81%	0.812	S	S	*	*			trans	-54.4	86.3	176.3	-79.2	-41.6	0	0	0	112	A736 R740	A736-N738 PolarHBondContact O-N 3.29Å; N738-R740 PolarHBondContact O-N 3.28Å; N738-R740 VanDerWaalsContact O-N 3.16Å
739	S	30	Very low	27.3	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	81%	0.806	S	S	*	*			trans	-79.6	100.2	166.9	69	0	0	0	0	108.4	A737 R741	A737-S739 VanDerWaalsContact C-N 3.34Å; A737-S739 PolarHBondContact O-N 3.16Å; S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 2.91Å
740	R	29.7	Very low	27.6	Very low	240 Å²	240	144.5 Å²	144.5	91%	0.906	80%	0.801	S	S	*	*			trans	-55.6	91.7	166.8	-70.9	176.9	175.6	174.5	-1.7	108.1	N738 R742	N738-R740 PolarHBondContact O-N 3.28Å; N738-R740 VanDerWaalsContact O-N 3.16Å; R740-R742 VanDerWaalsContact C-N 3.35Å; R740-R742 PolarHBondContact O-N 2.73Å
741	R	29.6	Very low	27.8	Very low	242 Å²	242	143.2 Å²	143.2	91%	0.913	80%	0.798	S	S	*	*			trans	-64.1	97.7	172.6	-129.1	179.4	-175.3	-171.5	1.1	107	S739 R743	S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 2.91Å; R741-R743 PolarHBondContact O-N 2.9Å
742	R	28.8	Very low	28	Very low	240 Å²	240	144.3 Å²	144.3	91%	0.906	79%	0.791	S	S	*	*			trans	-53.7	104.9	167.8	-79.1	179.3	171.5	170.5	-2.7	106.9	R740 M744	R740-R742 VanDerWaalsContact C-N 3.35Å; R740-R742 PolarHBondContact O-N 2.73Å; R742-M744 PolarHBondContact O-N 3.5Å
743	R	30.1	Very low	28.5	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	78%	0.775	S	S	*	*			trans	-61.5	106.5	167.2	-170.7	176.9	-169.7	174.9	1.5	105.3	R741 T745	R741-R743 PolarHBondContact O-N 2.9Å; R743-T745 VanDerWaalsContact C-N 3.25Å; R743-T745 PolarHBondContact O-N 3.49Å
744	M	25.5	Very low	29.4	Very low	186 Å²	186	137.8 Å²	137.8	92%	0.916	75%	0.748	S	S	*	*			trans	-59	99.8	164.2	-84.1	-153.3	-164.2	0	0	106.4	R742 A746	R742-M744 PolarHBondContact O-N 3.5Å; M744-A746 PolarHBondContact O-N 2.79Å; M744-A746 VanDerWaalsContact O-N 3.1Å
745	T	29.6	Very low	30.2	Very low	109 Å²	109	131.9 Å²	131.9	67%	0.669	71%	0.712	S	S	*	*			trans	-71.7	91.6	157.6	46.7	0	0	0	0	105.2	R743 M747	R743-T745 VanDerWaalsContact C-N 3.25Å; R743-T745 PolarHBondContact O-N 3.49Å; T745-M747 VanDerWaalsContact C-N 3.33Å; T745-M747 PolarHBondContact O-N 3.08Å
746	A	30.1	Very low	31.2	Very low	85 Å²	85	128.8 Å²	128.8	70%	0.702	69%	0.688	S	S	*	*			trans	-57	110.1	154.7	0	0	0	0	0	105.3	M744 C748	M744-A746 PolarHBondContact O-N 2.79Å; M744-A746 VanDerWaalsContact O-N 3.1Å; A746-C748 PolarHBondContact O-N 2.79Å
747	M	24.7	Very low	32.1	Very low	182 Å²	182	130.7 Å²	130.7	90%	0.897	68%	0.678	S	S	*	*			trans	-64.7	77.1	165.6	-69.3	-88.3	-151.5	0	0	106	T745 S749	T745-M747 VanDerWaalsContact C-N 3.33Å; T745-M747 PolarHBondContact O-N 3.08Å; M747-S749 VanDerWaalsContact C-N 3.33Å; M747-S749 PolarHBondContact O-N 3.16Å
748	C	26.6	Very low	33.1	Very low	115 Å²	115	132.2 Å²	132.2	78%	0.777	67%	0.665	S	S	*	*			trans	-60.8	109.4	157.6	-92.4	0	0	0	0	104.6	A746 S750	A746-C748 PolarHBondContact O-N 2.79Å; C748-S750 PolarHBondContact O-N 2.93Å
749	S	28.7	Very low	34	Very low	100 Å²	100	126.2 Å²	126.2	70%	0.699	63%	0.631	S	S	*	*			trans	-33.3	123.5	163.6	48.7	0	0	0	0	108.4	M747 V751	M747-S749 VanDerWaalsContact C-N 3.33Å; M747-S749 PolarHBondContact O-N 3.16Å; S749-V751 VanDerWaalsContact C-N 3.28Å; S749-V751 PolarHBondContact O-N 2.85Å
750	S	28.3	Very low	34.4	Very low	101 Å²	101	129 Å²	129	71%	0.706	63%	0.63	S	S	*	*			trans	-52.9	92.7	-179.3	56	0	0	0	0	109.7	C748 H752	C748-S750 PolarHBondContact O-N 2.93Å; S750-H752 PolarHBondContact O-N 2.7Å
751	V	32.8	Very low	34.7	Very low	121 Å²	121	125.9 Å²	125.9	73%	0.733	62%	0.623	S	S	*	*			trans	-68.6	94.3	159.7	-178.2	0	0	0	0	102.8	S749 N753	S749-V751 VanDerWaalsContact C-N 3.28Å; S749-V751 PolarHBondContact O-N 2.85Å; V751-N753 PolarHBondContact O-N 3.18Å
752	H	29.1	Very low	35.1	Very low	126 Å²	126	121.9 Å²	121.9	58%	0.583	62%	0.619	S	S	*	*			trans	-48.2	112.1	169	-92.2	-54.9	0	0	0	106.6	S750 P754	S750-H752 PolarHBondContact O-N 2.7Å; H752-P754 WeakPolarHBondContact O-CD 3.06Å
753	N	37.4	Very low	35.4	Very low	81 Å²	81	120.3 Å²	120.3	43%	0.433	63%	0.629	S	S	.	*			trans	-45	115.3	172.2	-85.5	-14.2	0	0	0	107.2	V751 I755 T756	V751-N753 PolarHBondContact O-N 3.18Å; N753-I755 PolarHBondContact O-N 2.89Å; N753-T756 HydrophobicContact CB-CG2 3.92Å; N753-T756 PolarHBondContact O-N 3Å; N753-T756 PolarHBondContact O-OG1 3.01Å
754	P	42.2	Very low	35.6	Very low	43 Å²	43	115.1 Å²	115.1	28%	0.279	62%	0.618	S	S	.	*	H	α-helix	trans	-54.5	-37.1	-171.4	16.3	-28.8	0	0	0	111	V170 H752 T756 K757 Y758	V170-P754 HydrophobicContact CG2-CG 4.3Å; H752-P754 WeakPolarHBondContact O-CD 3.06Å; P754-T756 PolarHBondContact O-N 2.78Å; P754-K757 WeakPolarHBondContact O-CB 3.49Å; P754-K757 PolarHBondContact O-N 3.45Å; P754-K757 VanDerWaalsContact O-N 3.16Å; P754-Y758 VanDerWaalsContact O-CD2 3.23Å; P754-Y758 WeakPolarHBondContact O-CD2 3.4Å
755	I	43.8	Very low	36.2	Very low	4 Å²	4	111.3 Å²	111.3	2%	0.021	60%	0.602	C	S	.	*	H	α-helix	trans	-59.1	-37	176	-103.5	168.6	0	0	0	114	I153 M165 V186 N753 K757 Y758 F759	I153-I755 HydrophobicContact CD1-CG1 4.48Å; M165-I755 HydrophobicContact CB-CD1 4.32Å; V186-I755 HydrophobicContact CB-CD1 3.88Å; V186-I755 HydrophobicContact CG1-CB 3.74Å; V186-I755 HydrophobicContact CG1-CD1 3.66Å; V186-I755 HydrophobicContact CG1-CG1 4.11Å; V186-I755 HydrophobicContact CG1-CG2 4.22Å; V186-I755 HydrophobicContact CG2-CD1 4.41Å; N753-I755 PolarHBondContact O-N 2.89Å; I755-K757 PolarHBondContact O-N 3.03Å; I755-Y758 WeakPolarHBondContact O-CB 3.23Å; I755-Y758 PolarHBondContact O-N 3.1Å; I755-F759 HydrophobicContact CB-CE2 4.23Å; I755-F759 HydrophobicContact CG1-CE2 4.05Å; I755-F759 HydrophobicContact CG2-CD2 3.84Å; I755-F759 HydrophobicContact CG2-CE2 3.72Å; I755-F759 WeakPolarHBondContact O-CD2 3.44Å; I755-F759 PolarHBondContact O-N 2.86Å
756	T	46	Very low	36.5	Very low	41 Å²	41	111.4 Å²	111.4	25%	0.252	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-20.9	-179.9	57	0	0	0	0	113.2	V253 N753 P754 Y758	V253-T756 HydrophobicContact CG2-CG2 3.92Å; N753-T756 HydrophobicContact CB-CG2 3.92Å; N753-T756 PolarHBondContact O-N 3Å; N753-T756 PolarHBondContact O-OG1 3.01Å; P754-T756 PolarHBondContact O-N 2.78Å; T756-Y758 VanDerWaalsContact C-N 3.3Å
757	K	46.9	Very low	36.9	Very low	141 Å²	141	113 Å²	113	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-68.6	-30.1	171.8	-68.9	-174.9	176.6	-179.4	0	112.2	P754 I755	P754-K757 WeakPolarHBondContact O-CB 3.49Å; P754-K757 PolarHBondContact O-N 3.45Å; P754-K757 VanDerWaalsContact O-N 3.16Å; I755-K757 PolarHBondContact O-N 3.03Å
758	Y	47.8	Very low	37.6	Very low	123 Å²	123	108.7 Å²	108.7	48%	0.482	57%	0.573	S	S	.	*	H	α-helix	trans	-79.1	-29.2	178.5	-65.2	-88.2	0	0	0	112.7	I153 P754 I755 T756	I153-Y758 HydrophobicContact CD1-CE2 4.48Å; P754-Y758 VanDerWaalsContact O-CD2 3.23Å; P754-Y758 WeakPolarHBondContact O-CD2 3.4Å; I755-Y758 WeakPolarHBondContact O-CB 3.23Å; I755-Y758 PolarHBondContact O-N 3.1Å; T756-Y758 VanDerWaalsContact C-N 3.3Å
759	F	47	Very low	38.4	Very low	38 Å²	38	108.3 Å²	108.3	17%	0.167	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	38.8	-177.2	-53.3	-65.4	0	0	0	113.2	N230 L247 R248 I755 K761	N230-F759 WeakPolarHBondContact OD1-CD1 3.26Å; N230-F759 WeakPolarHBondContact OD1-CE1 3.47Å; L247-F759 HydrophobicContact CB-CE1 4.02Å; L247-F759 HydrophobicContact CB-CZ 4.04Å; L247-F759 HydrophobicContact CD1-CE1 4.12Å; L247-F759 HydrophobicContact CD1-CZ 3.81Å; L247-F759 HydrophobicContact CG-CZ 4.49Å; R248-F759 HydrophobicContact CG-CD1 4.11Å; I755-F759 HydrophobicContact CB-CE2 4.23Å; I755-F759 HydrophobicContact CG1-CE2 4.05Å; I755-F759 HydrophobicContact CG2-CD2 3.84Å; I755-F759 HydrophobicContact CG2-CE2 3.72Å; I755-F759 WeakPolarHBondContact O-CD2 3.44Å; I755-F759 PolarHBondContact O-N 2.86Å; F759-K761 PolarHBondContact O-N 3.19Å
760	K	37.2	Very low	39.1	Very low	166 Å²	166	108.9 Å²	108.9	72%	0.722	55%	0.55	S	S	*	.			trans	-59.5	129.1	163.3	-83.7	-172.3	176.2	-178	0	107.8	N762	K760-N762 PolarHBondContact O-N 3.15Å
761	K	37	Very low	39.9	Very low	175 Å²	175	109.5 Å²	109.5	76%	0.761	54%	0.538	S	S	*	.			trans	-56.1	107.8	161.4	-112.4	-178.6	164.9	-159.5	0	106	F759 D763	F759-K761 PolarHBondContact O-N 3.19Å; K761-D763 VanDerWaalsContact C-N 3.34Å; K761-D763 PolarHBondContact O-N 2.89Å
762	N	38	Very low	40.5	Very low	157 Å²	157	108.5 Å²	108.5	84%	0.84	52%	0.522	S	S	*	.			trans	-70.2	109.3	148	-73.4	-6.4	0	0	0	103.5	K760	K760-N762 PolarHBondContact O-N 3.15Å
763	D	33.8	Very low	41.5	Very low	207 Å²	207	106.9 Å²	106.9	100%	1.107	52%	0.516	S	S	*	.			trans	-60.5	0	176	-76.8	-39	0	0	0	111.5	K761	K761-D763 VanDerWaalsContact C-N 3.34Å; K761-D763 PolarHBondContact O-N 2.89Å

Retrieved 763 of 763 residues in 701.8 ms (Link to these results)

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