A0A3Q0KIE8_SCHMA Loading...

Peptidase_M14 domain-containing protein

AlphaFold DB (A0A5K4EH32), UniProt , Accession A0A3Q0KIE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 574 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	51.1	Low	246 Å²	246	117.5 Å²	117.5	100%	1.212	58%	0.575	S	S	*	*				0	105.9	0	-75.5	-174.3	155.7	0	0	107.5
2	L	46.1	Very low	51.3	Low	131 Å²	131	117.8 Å²	117.8	69%	0.686	57%	0.571	S	S	*	*			trans	-79.1	125	175.6	-78.2	160.7	0	0	0	108.1
3	D	58	Low	51.4	Low	110 Å²	110	113.7 Å²	113.7	59%	0.588	55%	0.554	S	S	*	*			trans	-42.7	130.5	177.8	-152.8	-7.1	0	0	0	111.7	D5 K6 K7	D3-D5 PolarHBondContact O-N 3.02Å; D3-K6 WeakPolarHBondContact O-CB 3.45Å; D3-K6 PolarHBondContact O-N 3.15Å; D3-K7 PolarHBondContact O-N 3.29Å
4	D	57	Low	51	Low	109 Å²	109	109.5 Å²	109.5	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-63.4	-27.8	-169.2	-78.1	-34.7	0	0	0	112.3	K6 K7 D8	D4-K6 VanDerWaalsContact C-N 3.27Å; D4-K6 PolarHBondContact O-N 3.48Å; D4-K7 PolarHBondContact O-N 3.01Å; D4-K7 VanDerWaalsContact O-N 3.16Å; D4-K7 IonicContact OD1-NZ 2.81Å; D4-K7 PolarHBondContact OD1-NZ 3.43Å; D4-D8 PolarHBondContact O-N 3.46Å
5	D	53.5	Low	50.6	Low	122 Å²	122	111.2 Å²	111.2	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-33.7	172	-76.6	-19.5	0	0	0	112.7	D3 I9	D3-D5 PolarHBondContact O-N 3.02Å; D5-I9 WeakPolarHBondContact O-CG1 3.26Å; D5-I9 PolarHBondContact O-N 3.07Å
6	K	52.1	Low	50.3	Low	110 Å²	110	117.7 Å²	117.7	48%	0.478	56%	0.555	S	S	.	*	H	α-helix	trans	-74.5	-33.4	176.5	-69.9	-173.6	-180	178	0	112.2	D3 D4 D8 F10	D3-K6 WeakPolarHBondContact O-CB 3.45Å; D3-K6 PolarHBondContact O-N 3.15Å; D4-K6 VanDerWaalsContact C-N 3.27Å; D4-K6 PolarHBondContact O-N 3.48Å; K6-D8 VanDerWaalsContact C-N 3.35Å; K6-F10 VanDerWaalsContact O-CB 3.29Å; K6-F10 WeakPolarHBondContact O-CB 3.19Å; K6-F10 PolarHBondContact O-N 3.09Å
7	K	49.7	Very low	49.6	Very low	92 Å²	92	112.5 Å²	112.5	40%	0.4	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-41.1	173.6	-71.2	-178	-164.6	147.5	0	110.9	D3 D4 I9 F10 Y11	D3-K7 PolarHBondContact O-N 3.29Å; D4-K7 PolarHBondContact O-N 3.01Å; D4-K7 VanDerWaalsContact O-N 3.16Å; D4-K7 IonicContact OD1-NZ 2.81Å; D4-K7 PolarHBondContact OD1-NZ 3.43Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 2.77Å; K7-F10 CarbonylContact O-C 3.49Å; K7-F10 WeakPolarHBondContact O-CA 3.46Å; K7-F10 WeakPolarHBondContact O-CB 3.23Å; K7-F10 PolarHBondContact O-N 3.19Å; K7-F10 VanDerWaalsContact O-N 3.1Å; K7-Y11 HydrophobicContact CB-CD2 4.39Å; K7-Y11 HydrophobicContact CB-CE2 4.3Å; K7-Y11 WeakPolarHBondContact O-CD2 3.42Å; K7-Y11 PolarHBondContact O-N 2.81Å
8	D	53.3	Low	48.6	Very low	85 Å²	85	111.4 Å²	111.4	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-68.6	-37.5	-176.2	-140.7	48.1	0	0	0	111.4	D4 K6 K12	D4-D8 PolarHBondContact O-N 3.46Å; K6-D8 VanDerWaalsContact C-N 3.35Å; D8-K12 WeakPolarHBondContact O-CB 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.28Å; D8-K12 WeakPolarHBondContact O-CG 3.36Å; D8-K12 PolarHBondContact O-N 2.81Å; D8-K12 IonicContact OD2-NZ 2.76Å; D8-K12 PolarHBondContact OD2-NZ 3.28Å
9	I	57	Low	47.8	Very low	91 Å²	91	115.8 Å²	115.8	47%	0.467	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-44.7	167.5	-66	167.2	0	0	0	110.8	D5 K7 Y11 K12 D13	D5-I9 WeakPolarHBondContact O-CG1 3.26Å; D5-I9 PolarHBondContact O-N 3.07Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 2.77Å; I9-Y11 PolarHBondContact O-N 3.31Å; I9-K12 PolarHBondContact O-N 2.97Å; I9-D13 WeakPolarHBondContact O-CB 3.44Å; I9-D13 PolarHBondContact O-N 3.13Å
10	F	46.3	Very low	46.9	Very low	75 Å²	75	116 Å²	116	33%	0.329	57%	0.567	S	S	.	*	H	α-helix	trans	-58.6	-47.5	178.9	175.5	-94.4	0	0	0	112.6	K6 K7 L14 W315	K6-F10 VanDerWaalsContact O-CB 3.29Å; K6-F10 WeakPolarHBondContact O-CB 3.19Å; K6-F10 PolarHBondContact O-N 3.09Å; K7-F10 CarbonylContact O-C 3.49Å; K7-F10 WeakPolarHBondContact O-CA 3.46Å; K7-F10 WeakPolarHBondContact O-CB 3.23Å; K7-F10 PolarHBondContact O-N 3.19Å; K7-F10 VanDerWaalsContact O-N 3.1Å; F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 3.41Å; F10-W315 HydrophobicContact CD2-CB 4.36Å
11	Y	49.9	Very low	46.3	Very low	122 Å²	122	113.6 Å²	113.6	48%	0.478	56%	0.557	S	S	.	*	H	α-helix	trans	-68.2	-42.2	177.7	-73.8	-67.2	0	0	0	111.9	K7 I9 D13 L14 F15	K7-Y11 HydrophobicContact CB-CD2 4.39Å; K7-Y11 HydrophobicContact CB-CE2 4.3Å; K7-Y11 WeakPolarHBondContact O-CD2 3.42Å; K7-Y11 PolarHBondContact O-N 2.81Å; I9-Y11 PolarHBondContact O-N 3.31Å; Y11-D13 VanDerWaalsContact C-N 3.32Å; Y11-D13 PolarHBondContact O-N 3.33Å; Y11-L14 PolarHBondContact O-N 3.23Å; Y11-F15 AromaticContact CD1-CE2 3.98Å; Y11-F15 HydrophobicContact CD1-CE2 3.98Å; Y11-F15 WeakPolarHBondContact O-CD2 3.29Å; Y11-F15 PolarHBondContact O-N 3.31Å
12	K	53.2	Low	45.8	Very low	121 Å²	121	108.5 Å²	108.5	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-39.5	177.2	-77.9	169.6	178.6	149.4	0	112.2	D8 I9 R16	D8-K12 WeakPolarHBondContact O-CB 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.28Å; D8-K12 WeakPolarHBondContact O-CG 3.36Å; D8-K12 PolarHBondContact O-N 2.81Å; D8-K12 IonicContact OD2-NZ 2.76Å; D8-K12 PolarHBondContact OD2-NZ 3.28Å; I9-K12 PolarHBondContact O-N 2.97Å; K12-R16 WeakPolarHBondContact O-CB 3.33Å; K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 3.5Å; K12-R16 VanDerWaalsContact O-N 3.16Å
13	D	52.8	Low	45	Very low	64 Å²	64	108 Å²	108	34%	0.342	53%	0.528	S	S	.	.	H	α-helix	trans	-67.6	-43.6	175.3	-87.8	6.5	0	0	0	112.1	I9 Y11 F15 S313	I9-D13 WeakPolarHBondContact O-CB 3.44Å; I9-D13 PolarHBondContact O-N 3.13Å; Y11-D13 VanDerWaalsContact C-N 3.32Å; Y11-D13 PolarHBondContact O-N 3.33Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.48Å; D13-S313 WeakPolarHBondContact OD2-CB 3.5Å; D13-S313 PolarHBondContact OD2-OG 3.47Å
14	L	45.5	Very low	43.8	Very low	55 Å²	55	107.7 Å²	107.7	29%	0.288	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-39.2	-178.5	-167.3	72.3	0	0	0	111.9	F10 Y11 F303	F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 3.41Å; Y11-L14 PolarHBondContact O-N 3.23Å; L14-F303 HydrophobicContact CD1-CE2 4.46Å; L14-F303 HydrophobicContact CD1-CZ 4.18Å
15	F	45.8	Very low	42.6	Very low	135 Å²	135	107.2 Å²	107.2	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-89.4	-27	-176.2	-63.5	-61.8	0	0	0	114.3	Y11 D13 G17 T18	Y11-F15 AromaticContact CD1-CE2 3.98Å; Y11-F15 HydrophobicContact CD1-CE2 3.98Å; Y11-F15 WeakPolarHBondContact O-CD2 3.29Å; Y11-F15 PolarHBondContact O-N 3.31Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.48Å; F15-G17 VanDerWaalsContact C-N 3.28Å; F15-G17 PolarHBondContact O-N 3.32Å; F15-T18 PolarHBondContact O-OG1 3.37Å; F15-T18 VanDerWaalsContact O-OG1 3.13Å
16	R	45.2	Very low	41.8	Very low	215 Å²	215	102.9 Å²	102.9	81%	0.811	51%	0.51	S	S	*	.	H	α-helix	trans	-68.3	-25	176.3	-84.4	-175.5	177.4	-176.6	0.3	113.7	K12	K12-R16 WeakPolarHBondContact O-CB 3.33Å; K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 3.5Å; K12-R16 VanDerWaalsContact O-N 3.16Å
17	G	38.2	Very low	40.7	Very low	30 Å²	30	100 Å²	100	31%	0.309	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2	-176.1	0	0	0	0	0	116.1	F15 F19	F15-G17 VanDerWaalsContact C-N 3.28Å; F15-G17 PolarHBondContact O-N 3.32Å; G17-F19 PolarHBondContact O-N 3.15Å
18	T	32.1	Very low	40.3	Very low	92 Å²	92	97.5 Å²	97.5	56%	0.564	51%	0.505	S	S	*	.			trans	-81.8	60.8	-175.9	57.2	0	0	0	0	112.4	F15 V20	F15-T18 PolarHBondContact O-OG1 3.37Å; F15-T18 VanDerWaalsContact O-OG1 3.13Å; T18-V20 PolarHBondContact O-N 2.92Å
19	F	32.8	Very low	39.5	Very low	195 Å²	195	100 Å²	100	86%	0.855	52%	0.519	S	S	*	.			trans	-66.8	103.8	155.7	-100.3	-89.5	0	0	0	107.3	G17 D21	G17-F19 PolarHBondContact O-N 3.15Å; F19-D21 PolarHBondContact O-N 3.36Å
20	V	31.5	Very low	38.8	Very low	119 Å²	119	98.6 Å²	98.6	72%	0.721	52%	0.517	S	S	*	.			trans	-57.1	109.8	173.6	177.7	0	0	0	0	107.5	T18 Q22	T18-V20 PolarHBondContact O-N 2.92Å; V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 HydrophobicContact CG1-CG 4.45Å; V20-Q22 PolarHBondContact O-N 3.41Å
21	D	33.5	Very low	38.4	Very low	67 Å²	67	102 Å²	102	36%	0.358	54%	0.538	S	S	.	.			trans	-65.4	79.3	-175.7	-175.1	42.3	0	0	0	110.6	F19 R94	F19-D21 PolarHBondContact O-N 3.36Å; D21-R94 IonicContact OD2-CZ 3.76Å; D21-R94 IonicContact OD2-NH1 3.46Å; D21-R94 PolarHBondContact OD2-NH1 3.18Å; D21-R94 IonicContact OD2-NH2 3.87Å
22	Q	27.7	Very low	37.9	Very low	139 Å²	139	99.5 Å²	99.5	65%	0.65	55%	0.55	S	S	*	*			trans	-82.8	112.9	170.9	-69.5	-170.2	7.4	0	0	109.3	V20 L395	V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 HydrophobicContact CG1-CG 4.45Å; V20-Q22 PolarHBondContact O-N 3.41Å; Q22-L395 WeakPolarHBondContact O-CD2 3.4Å
23	N	29.4	Very low	37.5	Very low	121 Å²	121	96.6 Å²	96.6	65%	0.647	54%	0.54	S	S	*	.			trans	73.8	78.3	155	-56.2	-30.3	0	0	0	117.9	L395	N23-L395 VanDerWaalsContact O-CD1 3.25Å; N23-L395 WeakPolarHBondContact O-CD1 3.12Å
24	E	33.2	Very low	37	Very low	102 Å²	102	99.1 Å²	99.1	48%	0.477	56%	0.563	S	S	.	*				-89.2	132.5	124.8	-79.8	-161.4	98.9	0	0	109.5	A26 R307 K396	E24-A26 PolarHBondContact O-N 3.11Å; E24-R307 IonicContact OE2-NH2 2.94Å; E24-R307 PolarHBondContact OE2-NH2 3.07Å; E24-K396 WeakPolarHBondContact OE1-CE 3.44Å; E24-K396 IonicContact OE1-NZ 3.45Å; E24-K396 PolarHBondContact OE1-NZ 2.83Å; E24-K396 IonicContact OE2-NZ 3.81Å; E24-K396 PolarHBondContact OE2-NZ 3.08Å
25	S	32.2	Very low	37.3	Very low	99 Å²	99	100.2 Å²	100.2	69%	0.692	57%	0.569	S	S	*	*	S	Bend	trans	-66.3	69.2	-179.9	59.4	0	0	0	0	113.1
26	A	36.6	Very low	37.9	Very low	32 Å²	32	98.9 Å²	98.9	26%	0.264	58%	0.576	S	S	.	*	S	Bend	trans	-128.8	86.4	146.3	0	0	0	0	0	104.2	E24 S28	E24-A26 PolarHBondContact O-N 3.11Å; A26-S28 PolarHBondContact O-N 3.03Å
27	G	29.6	Very low	38.7	Very low	49 Å²	49	89.5 Å²	89.5	51%	0.505	54%	0.543	S	S	.	.			trans	-45.8	101.7	-179.8	0	0	0	0	0	109.6	D29 T122	G27-D29 PolarHBondContact O-N 2.97Å; G27-T122 WeakPolarHBondContact O-CG2 3.41Å
28	S	40	Very low	40.3	Very low	40 Å²	40	94.4 Å²	94.4	28%	0.28	57%	0.566	S	S	.	*			trans	-96.9	87.1	177.1	65.4	0	0	0	0	104.8	A26 S30	A26-S28 PolarHBondContact O-N 3.03Å; S28-S30 PolarHBondContact O-N 2.84Å
29	D	37	Very low	43	Very low	137 Å²	137	92 Å²	92	73%	0.733	56%	0.56	S	S	*	*			trans	-68.9	77.5	166.3	-64.2	-21.3	0	0	0	106.9	G27 D31	G27-D29 PolarHBondContact O-N 2.97Å; D29-D31 PolarHBondContact O-N 3.27Å
30	S	42.1	Very low	46	Very low	61 Å²	61	84.7 Å²	84.7	43%	0.427	53%	0.529	S	S	.	.			trans	-88.9	41.8	171.2	71.1	0	0	0	0	110.4	S28 G32	S28-S30 PolarHBondContact O-N 2.84Å; S30-G32 PolarHBondContact O-N 3.11Å
31	D	38.1	Very low	49.1	Very low	146 Å²	146	79.7 Å²	79.7	78%	0.781	50%	0.499	S	S	*	.			trans	-77.6	111.9	166	-73.5	-18.1	0	0	0	108.2	D29	D29-D31 PolarHBondContact O-N 3.27Å
32	G	40.3	Very low	52.2	Low	71 Å²	71	80.3 Å²	80.3	73%	0.732	51%	0.508	S	S	*	.			trans	81.7	25.6	150.5	0	0	0	0	0	119	S30 S34	S30-G32 PolarHBondContact O-N 3.11Å; G32-S34 VanDerWaalsContact C-N 3.29Å; G32-S34 PolarHBondContact O-N 3.45Å; G32-S34 VanDerWaalsContact O-N 3.15Å
33	I	44.2	Very low	55.4	Low	60 Å²	60	78.5 Å²	78.5	31%	0.308	50%	0.499	S	S	.	.			trans	-82.2	87.6	159	-62.5	178.4	0	0	0	107.2	D35 N118	I33-D35 HydrophobicContact CG2-CB 3.53Å; I33-D35 WeakPolarHBondContact CG2-OD2 3.49Å; I33-D35 PolarHBondContact O-N 2.87Å; I33-N118 HydrophobicContact CD1-CB 4.43Å
34	S	42.1	Very low	58.5	Low	117 Å²	117	74.9 Å²	74.9	82%	0.818	48%	0.482	S	S	*	.			trans	-74.9	21.2	166.4	68	0	0	0	0	112.4	G32 S36	G32-S34 VanDerWaalsContact C-N 3.29Å; G32-S34 PolarHBondContact O-N 3.45Å; G32-S34 VanDerWaalsContact O-N 3.15Å; S34-S36 PolarHBondContact O-N 3.07Å
35	D	52.6	Low	61.5	Low	78 Å²	78	73.3 Å²	73.3	42%	0.417	48%	0.477	S	S	.	.			trans	-69.2	125.4	-178.8	-74.1	-28.8	0	0	0	109.6	I33 V37	I33-D35 HydrophobicContact CG2-CB 3.53Å; I33-D35 WeakPolarHBondContact CG2-OD2 3.49Å; I33-D35 PolarHBondContact O-N 2.87Å; D35-V37 HydrophobicContact CB-CG2 4.28Å; D35-V37 PolarHBondContact O-N 2.77Å
36	S	58.7	Low	64.3	Low	106 Å²	106	68.9 Å²	68.9	74%	0.741	45%	0.447	S	S	*	.			trans	-61.8	26.9	-177.9	60.9	0	0	0	0	115.4	S34 V38	S34-S36 PolarHBondContact O-N 3.07Å; S36-V38 PolarHBondContact O-N 2.9Å
37	V	62.1	Low	66.9	Low	19 Å²	19	69.4 Å²	69.4	12%	0.115	45%	0.445	C	S	.	.			trans	-83.9	85.6	-176.7	-178.2	0	0	0	0	109	D35 G72 K73	D35-V37 HydrophobicContact CB-CG2 4.28Å; D35-V37 PolarHBondContact O-N 2.77Å; V37-G72 WeakPolarHBondContact CG1-O 3.25Å; V37-K73 HydrophobicContact CG2-CB 3.8Å; V37-K73 HydrophobicContact CG2-CD 4.11Å
38	V	70.9	Confident	69.7	Low	133 Å²	133	69.9 Å²	69.9	81%	0.806	44%	0.44	S	S	*	.			trans	-90	-34.3	-177.8	-170.7	0	0	0	0	111.9	S36	S36-V38 PolarHBondContact O-N 2.9Å
39	G	88.9	Confident	71.8	Confident	41 Å²	41	74.4 Å²	74.4	42%	0.423	47%	0.471	S	S	.	.	S	Bend	trans	-124.1	178.5	-173.1	0	0	0	0	0	113.8	G72	G39-G72 VanDerWaalsContact O-CA 3.24Å; G39-G72 WeakPolarHBondContact O-CA 3.24Å
40	N	96.2	Very high	74	Confident	42 Å²	42	70.7 Å²	70.7	23%	0.225	47%	0.466	C	S	.	.			trans	-80.7	150.7	170.2	-74.5	-16.7	0	0	0	110.1	A64 G69 L71 R87	N40-A64 HydrophobicContact CB-CB 4.05Å; N40-A64 PolarHBondContact ND2-O 2.76Å; N40-G69 PolarHBondContact ND2-O 2.85Å; N40-L71 CarbonylContact C-O 3.57Å; N40-L71 VanDerWaalsContact CA-O 3.25Å; N40-L71 WeakPolarHBondContact CA-O 3.33Å; N40-R87 WeakPolarHBondContact OD1-CD 3.29Å; N40-R87 PolarHBondContact OD1-NE 3.22Å
41	V	96.7	Very high	76.2	Confident	13 Å²	13	71.4 Å²	71.4	8%	0.079	46%	0.46	C	S	.	.			trans	-64.9	140.1	168.6	-60.7	0	0	0	0	109.9	F62 A64 C65 L71 V74	V41-F62 HydrophobicContact CG2-CB 4.17Å; V41-A64 HydrophobicContact CG2-CB 4.25Å; V41-A64 PolarHBondContact O-N 2.67Å; V41-C65 PolarHBondContact O-N 3.48Å; V41-L71 HydrophobicContact CG2-CB 4.21Å; V41-L71 HydrophobicContact CG2-CD2 3.95Å; V41-L71 HydrophobicContact CG2-CG 4.06Å; V41-L71 PolarHBondContact N-O 2.91Å; V41-V74 HydrophobicContact CG1-CG2 4.45Å
42	S	97	Very high	78.6	Confident	80 Å²	80	71.2 Å²	71.2	56%	0.559	46%	0.464	S	S	*	.			trans	-125.2	108.3	177.4	173	0	0	0	0	108.8	S44 D63	S42-S44 PolarHBondContact O-N 3.31Å; S42-D63 WeakPolarHBondContact CA-OD1 3.46Å
43	K	96.1	Very high	80.9	Confident	102 Å²	102	70 Å²	70	44%	0.443	45%	0.451	S	S	.	.	S	Bend	trans	43.3	44.3	-177.9	-61.5	-68.6	-178.8	178.4	0	113	L45 I61 F62 D63 E104	K43-L45 PolarHBondContact O-N 3.45Å; K43-I61 HydrophobicContact CB-CG2 4.12Å; K43-I61 HydrophobicContact CD-CG2 4.06Å; K43-F62 CarbonylContact C-O 3.53Å; K43-F62 WeakPolarHBondContact CA-O 3.44Å; K43-F62 PolarHBondContact N-O 2.87Å; K43-D63 HydrophobicContact CD-CB 4.06Å; K43-E104 VanDerWaalsContact CD-OE1 3.29Å; K43-E104 WeakPolarHBondContact CD-OE1 3.4Å; K43-E104 IonicContact NZ-OE1 2.78Å; K43-E104 PolarHBondContact NZ-OE1 3.1Å; K43-E104 IonicContact NZ-OE2 2.77Å; K43-E104 PolarHBondContact NZ-OE2 3.5Å
44	S	95.1	Very high	83.2	Confident	44 Å²	44	76 Å²	76	31%	0.308	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.8	-176.1	-176.1	0	0	0	0	110.5	S42 F62	S42-S44 PolarHBondContact O-N 3.31Å; S44-F62 PolarHBondContact N-O 3.03Å; S44-F62 PolarHBondContact O-N 3.16Å
45	L	94.7	Very high	85.5	Confident	70 Å²	70	75 Å²	75	37%	0.366	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.4	174.6	-174.4	61.9	0	0	0	110.5	K43 I47 L55 H59 I61	K43-L45 PolarHBondContact O-N 3.45Å; L45-I47 HydrophobicContact CD1-CG2 4.01Å; L45-I47 HydrophobicContact CD2-CD1 3.63Å; L45-I47 HydrophobicContact CD2-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CG2 4.39Å; L45-I47 HydrophobicContact CG-CD1 4.1Å; L45-I47 HydrophobicContact CG-CG1 4.08Å; L45-I47 HydrophobicContact CG-CG2 3.92Å; L45-L55 HydrophobicContact CD1-CD1 3.47Å; L45-L55 VanDerWaalsContact CD1-CD1 3.47Å; L45-L55 HydrophobicContact CD2-CD1 3.92Å; L45-L55 HydrophobicContact CG-CD1 4.37Å; L45-H59 HydrophobicContact CD1-CB 3.84Å; L45-I61 HydrophobicContact CD1-CG1 3.77Å
46	A	92.1	Very high	87.5	Confident	6 Å²	6	76.8 Å²	76.8	5%	0.05	47%	0.466	C	S	.	.			trans	-103.9	93.4	177.1	0	0	0	0	0	110.2	L60 F62 V74 Y76 Y82	A46-L60 PolarHBondContact N-O 2.97Å; A46-F62 HydrophobicContact CB-CD2 3.81Å; A46-F62 HydrophobicContact CB-CE2 3.57Å; A46-V74 HydrophobicContact CB-CB 4.49Å; A46-V74 HydrophobicContact CB-CG1 3.66Å; A46-Y76 WeakPolarHBondContact O-CD2 3.43Å; A46-Y82 HydrophobicContact CB-CD1 3.82Å; A46-Y82 HydrophobicContact CB-CE1 3.74Å
47	I	91.6	Very high	89.1	Confident	43 Å²	43	75.6 Å²	75.6	22%	0.221	45%	0.448	C	S	.	.			trans	-131.3	165.4	178.8	57.2	175	0	0	0	110.5	L45 S49 Y51 H59	L45-I47 HydrophobicContact CD1-CG2 4.01Å; L45-I47 HydrophobicContact CD2-CD1 3.63Å; L45-I47 HydrophobicContact CD2-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CG2 4.39Å; L45-I47 HydrophobicContact CG-CD1 4.1Å; L45-I47 HydrophobicContact CG-CG1 4.08Å; L45-I47 HydrophobicContact CG-CG2 3.92Å; I47-S49 PolarHBondContact O-N 3.19Å; I47-Y51 HydrophobicContact CD1-CD1 3.83Å; I47-Y51 HydrophobicContact CD1-CG 4.33Å; I47-H59 HydrophobicContact CG2-CB 3.63Å
48	S	88.3	Confident	90.6	Very high	59 Å²	59	75.1 Å²	75.1	41%	0.413	45%	0.447	S	S	.	.			trans	-56.4	134.8	171.6	179	0	0	0	0	110.7	G50 Y51	S48-G50 PolarHBondContact O-N 3.09Å; S48-Y51 WeakPolarHBondContact O-CB 3.02Å; S48-Y51 PolarHBondContact O-N 3.12Å
49	S	82.7	Confident	91.7	Very high	134 Å²	134	70.5 Å²	70.5	94%	0.937	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.5	-175.8	55.7	0	0	0	0	114.4	I47	I47-S49 PolarHBondContact O-N 3.19Å
50	G	84.6	Confident	92.2	Very high	59 Å²	59	68.6 Å²	68.6	61%	0.608	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.8	177.5	0	0	0	0	0	115.1	S48 T52	S48-G50 PolarHBondContact O-N 3.09Å; G50-T52 PolarHBondContact O-N 2.91Å
51	Y	87.8	Confident	92.2	Very high	77 Å²	77	67.7 Å²	67.7	30%	0.302	39%	0.391	S	S	.	.			trans	-78.4	122.2	-176.5	-174.2	-91.4	0	0	0	111.8	I47 S48 G53 K54 Q56 H59	I47-Y51 HydrophobicContact CD1-CD1 3.83Å; I47-Y51 HydrophobicContact CD1-CG 4.33Å; S48-Y51 WeakPolarHBondContact O-CB 3.02Å; S48-Y51 PolarHBondContact O-N 3.12Å; Y51-G53 VanDerWaalsContact CE1-CA 3.44Å; Y51-G53 VanDerWaalsContact CE1-N 3.32Å; Y51-G53 VanDerWaalsContact CE1-O 3.23Å; Y51-G53 WeakPolarHBondContact CE1-O 3.12Å; Y51-K54 PolarHBondContact OH-O 2.92Å; Y51-Q56 PolarHBondContact OH-NE2 2.81Å; Y51-Q56 VanDerWaalsContact OH-NE2 3.09Å; Y51-H59 AromaticContact CE1-CE1 3.46Å; Y51-H59 VanDerWaalsContact CE1-CE1 3.46Å; Y51-H59 WeakPolarHBondContact CE1-CE1 3.47Å; Y51-H59 AromaticContact CE2-CE1 3.89Å; Y51-H59 AromaticContact CZ-CE1 3.36Å
52	T	87.2	Confident	92.3	Very high	141 Å²	141	67.1 Å²	67.1	87%	0.865	39%	0.387	S	S	*	.			trans	-118.3	5	-179.2	55.8	0	0	0	0	113.6	G50	G50-T52 PolarHBondContact O-N 2.91Å
53	G	89.8	Confident	92.4	Very high	46 Å²	46	64.4 Å²	64.4	47%	0.474	37%	0.367	S	S	.	.	S	Bend	trans	-77.3	-179.1	-179.6	0	0	0	0	0	113.8	Y51	Y51-G53 VanDerWaalsContact CE1-CA 3.44Å; Y51-G53 VanDerWaalsContact CE1-N 3.32Å; Y51-G53 VanDerWaalsContact CE1-O 3.23Å; Y51-G53 WeakPolarHBondContact CE1-O 3.12Å
54	K	91.7	Very high	92.5	Very high	186 Å²	186	59.5 Å²	59.5	81%	0.809	35%	0.345	S	S	*	.			trans	-68.2	150.6	171.9	-67.2	-175.1	178.6	-178.4	0	110.6	Y51 Q56	Y51-K54 PolarHBondContact OH-O 2.92Å; K54-Q56 WeakPolarHBondContact O-CG 3.33Å; K54-Q56 PolarHBondContact O-N 3.17Å
55	L	91.7	Very high	92.6	Very high	97 Å²	97	61.4 Å²	61.4	51%	0.508	36%	0.358	S	S	.	.			trans	-56.5	129.2	171.6	-176	68.8	0	0	0	110.3	L45 H59 I61	L45-L55 HydrophobicContact CD1-CD1 3.47Å; L45-L55 VanDerWaalsContact CD1-CD1 3.47Å; L45-L55 HydrophobicContact CD2-CD1 3.92Å; L45-L55 HydrophobicContact CG-CD1 4.37Å; L55-H59 HydrophobicContact CD1-CB 3.64Å; L55-I61 HydrophobicContact CD2-CD1 4.15Å
56	Q	93	Very high	92.8	Very high	114 Å²	114	61 Å²	61	53%	0.533	35%	0.353	S	S	.	.			trans	-119.5	156	178.2	-59.9	-177.9	16.5	0	0	109.7	Y51 K54 G58 H59 N105	Y51-Q56 PolarHBondContact OH-NE2 2.81Å; Y51-Q56 VanDerWaalsContact OH-NE2 3.09Å; K54-Q56 WeakPolarHBondContact O-CG 3.33Å; K54-Q56 PolarHBondContact O-N 3.17Å; Q56-G58 PolarHBondContact O-N 3.5Å; Q56-H59 PolarHBondContact N-ND1 3.28Å; Q56-H59 WeakPolarHBondContact O-CB 3.42Å; Q56-H59 PolarHBondContact O-N 3.25Å; Q56-H59 VanDerWaalsContact O-N 3.11Å; Q56-N105 PolarHBondContact O-ND2 2.91Å
57	K	93.2	Very high	93	Very high	82 Å²	82	62.2 Å²	62.2	36%	0.357	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	133.3	169.3	-72.4	-76.2	-167	169.9	0	109.2	T106 K107 E173 E174	K57-T106 WeakPolarHBondContact CD-O 3.45Å; K57-K107 HydrophobicContact CB-CB 4.46Å; K57-E173 HydrophobicContact CD-CB 4.48Å; K57-E173 PolarHBondContact NZ-O 3.11Å; K57-E174 IonicContact NZ-OE1 3.48Å; K57-E174 PolarHBondContact NZ-OE1 3.2Å; K57-E174 IonicContact NZ-OE2 2.7Å
58	G	93	Very high	93.4	Very high	9 Å²	9	60.4 Å²	60.4	9%	0.093	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-13.8	-173.5	0	0	0	0	0	114.4	Q56 L60 N105 Q110	Q56-G58 PolarHBondContact O-N 3.5Å; G58-L60 PolarHBondContact O-N 2.73Å; G58-L60 VanDerWaalsContact O-N 3.09Å; G58-N105 WeakPolarHBondContact CA-O 3.44Å; G58-N105 PolarHBondContact N-O 2.74Å; G58-Q110 PolarHBondContact O-NE2 2.9Å
59	H	95.3	Very high	93.8	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.167	33%	0.329	C	S	.	.	S	Bend	trans	-78.1	93.4	167	-63.4	168.8	0	0	0	109.6	L45 I47 Y51 L55 Q56 I61 N105	L45-H59 HydrophobicContact CD1-CB 3.84Å; I47-H59 HydrophobicContact CG2-CB 3.63Å; Y51-H59 AromaticContact CE1-CE1 3.46Å; Y51-H59 VanDerWaalsContact CE1-CE1 3.46Å; Y51-H59 WeakPolarHBondContact CE1-CE1 3.47Å; Y51-H59 AromaticContact CE2-CE1 3.89Å; Y51-H59 AromaticContact CZ-CE1 3.36Å; L55-H59 HydrophobicContact CD1-CB 3.64Å; Q56-H59 PolarHBondContact N-ND1 3.28Å; Q56-H59 WeakPolarHBondContact O-CB 3.42Å; Q56-H59 PolarHBondContact O-N 3.25Å; Q56-H59 VanDerWaalsContact O-N 3.11Å; H59-I61 PolarHBondContact O-N 2.9Å; H59-N105 PolarHBondContact O-ND2 3.11Å
60	L	97.8	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.			trans	-64.1	133.8	-169.7	-61.3	-172.1	0	0	0	112.5	A46 G58 F62 Y82 V103 T106 V112 F114 F170	A46-L60 PolarHBondContact N-O 2.97Å; G58-L60 PolarHBondContact O-N 2.73Å; G58-L60 VanDerWaalsContact O-N 3.09Å; L60-F62 HydrophobicContact CB-CD2 4.34Å; L60-F62 HydrophobicContact CB-CE2 3.55Å; L60-F62 HydrophobicContact CB-CZ 4.1Å; L60-F62 HydrophobicContact CD1-CE2 4.45Å; L60-F62 HydrophobicContact CD1-CZ 4.2Å; L60-Y82 HydrophobicContact CB-CE1 4.43Å; L60-Y82 HydrophobicContact CD1-CE1 4.34Å; L60-Y82 HydrophobicContact CD1-CE2 3.84Å; L60-V103 HydrophobicContact CB-CG1 4.1Å; L60-V103 HydrophobicContact CD1-CG1 4.05Å; L60-V103 HydrophobicContact CD2-CG1 3.96Å; L60-V103 HydrophobicContact CG-CG1 4.27Å; L60-T106 HydrophobicContact CD2-CG2 3.86Å; L60-V112 HydrophobicContact CD1-CG1 3.93Å; L60-F114 HydrophobicContact CD1-CE1 4.3Å; L60-F114 HydrophobicContact CD1-CZ 4.09Å; L60-F170 HydrophobicContact CD1-CE2 3.93Å; L60-F170 HydrophobicContact CD1-CZ 4.33Å; L60-F170 HydrophobicContact CD2-CE2 4.14Å
61	I	97.9	Very high	95.2	Very high	24 Å²	24	48.6 Å²	48.6	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	175.7	-61.6	170.8	0	0	0	108	K43 L45 L55 H59 V103 E104 N105	K43-I61 HydrophobicContact CB-CG2 4.12Å; K43-I61 HydrophobicContact CD-CG2 4.06Å; L45-I61 HydrophobicContact CD1-CG1 3.77Å; L55-I61 HydrophobicContact CD2-CD1 4.15Å; H59-I61 PolarHBondContact O-N 2.9Å; I61-V103 WeakPolarHBondContact O-CA 3.5Å; I61-E104 HydrophobicContact CB-CG 3.71Å; I61-E104 HydrophobicContact CD1-CG 4.42Å; I61-E104 HydrophobicContact CG2-CG 4.04Å; I61-E104 PolarHBondContact N-O 3.2Å; I61-E104 PolarHBondContact O-N 2.97Å; I61-N105 HydrophobicContact CD1-CB 3.82Å; I61-N105 HydrophobicContact CG1-CB 4.11Å
62	F	98.5	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.4	-177.6	-66.1	-103.1	0	0	0	110.8	V41 K43 S44 A46 L60 L71 V74 Y82 L84 F101 T102 V103 F114	V41-F62 HydrophobicContact CG2-CB 4.17Å; K43-F62 CarbonylContact C-O 3.53Å; K43-F62 WeakPolarHBondContact CA-O 3.44Å; K43-F62 PolarHBondContact N-O 2.87Å; S44-F62 PolarHBondContact N-O 3.03Å; S44-F62 PolarHBondContact O-N 3.16Å; A46-F62 HydrophobicContact CB-CD2 3.81Å; A46-F62 HydrophobicContact CB-CE2 3.57Å; L60-F62 HydrophobicContact CB-CD2 4.34Å; L60-F62 HydrophobicContact CB-CE2 3.55Å; L60-F62 HydrophobicContact CB-CZ 4.1Å; L60-F62 HydrophobicContact CD1-CE2 4.45Å; L60-F62 HydrophobicContact CD1-CZ 4.2Å; F62-L71 HydrophobicContact CB-CD2 4.35Å; F62-L71 HydrophobicContact CD1-CD2 4.04Å; F62-V74 HydrophobicContact CB-CG2 3.9Å; F62-V74 HydrophobicContact CD1-CG1 4.41Å; F62-V74 HydrophobicContact CD1-CG2 3.88Å; F62-V74 HydrophobicContact CD2-CB 4.43Å; F62-V74 HydrophobicContact CD2-CG1 3.93Å; F62-V74 HydrophobicContact CD2-CG2 4.23Å; F62-V74 HydrophobicContact CE1-CG1 4.31Å; F62-V74 HydrophobicContact CE1-CG2 4.48Å; F62-V74 HydrophobicContact CE2-CG1 3.85Å; F62-V74 HydrophobicContact CG-CB 4.43Å; F62-V74 HydrophobicContact CG-CG1 4.23Å; F62-V74 HydrophobicContact CG-CG2 3.74Å; F62-V74 HydrophobicContact CZ-CG1 4.04Å; F62-Y82 HydrophobicContact CE2-CD1 4.05Å; F62-Y82 HydrophobicContact CE2-CE1 4.2Å; F62-Y82 AromaticContact CZ-CD1 4Å; F62-Y82 HydrophobicContact CZ-CD1 4Å; F62-Y82 HydrophobicContact CZ-CE1 4.41Å; F62-Y82 HydrophobicContact CZ-CG 4.27Å; F62-L84 HydrophobicContact CD1-CD2 4.45Å; F62-L84 HydrophobicContact CE1-CD2 3.98Å; F62-F101 HydrophobicContact CD1-CD2 4.16Å; F62-F101 HydrophobicContact CD1-CE2 4.27Å; F62-F101 HydrophobicContact CE1-CE2 4.31Å; F62-T102 WeakPolarHBondContact CA-O 3.16Å; F62-V103 HydrophobicContact CD1-CG2 3.74Å; F62-V103 HydrophobicContact CE1-CG2 3.63Å; F62-V103 HydrophobicContact CZ-CG2 4.36Å; F62-F114 HydrophobicContact CE1-CD1 4.37Å; F62-F114 AromaticContact CE1-CE1 3.74Å; F62-F114 HydrophobicContact CE1-CE1 3.74Å; F62-F114 HydrophobicContact CE1-CZ 4.05Å; F62-F114 HydrophobicContact CZ-CD1 4.46Å; F62-F114 AromaticContact CZ-CE1 3.59Å; F62-F114 HydrophobicContact CZ-CE1 3.59Å; F62-F114 HydrophobicContact CZ-CZ 4.06Å
63	D	98.6	Very high	96.1	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.2	175.4	-179.2	36.9	0	0	0	111.2	S42 K43 C65 F66 F101 T102	S42-D63 WeakPolarHBondContact CA-OD1 3.46Å; K43-D63 HydrophobicContact CD-CB 4.06Å; D63-C65 WeakPolarHBondContact OD1-CB 3.37Å; D63-C65 PolarHBondContact OD1-N 2.93Å; D63-F66 WeakPolarHBondContact O-CE1 3.27Å; D63-F101 CarbonylContact O-C 3.44Å; D63-F101 VanDerWaalsContact O-CA 3.28Å; D63-F101 WeakPolarHBondContact O-CA 3.39Å; D63-F101 WeakPolarHBondContact O-CB 3.32Å; D63-T102 WeakPolarHBondContact CB-OG1 3.46Å; D63-T102 PolarHBondContact N-O 2.69Å; D63-T102 PolarHBondContact O-N 3.03Å; D63-T102 PolarHBondContact O-OG1 3.04Å
64	A	98.3	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.			trans	-141.4	13.6	172.8	0	0	0	0	0	111	N40 V41 F66 G69 L71 F101	N40-A64 HydrophobicContact CB-CB 4.05Å; N40-A64 PolarHBondContact ND2-O 2.76Å; V41-A64 HydrophobicContact CG2-CB 4.25Å; V41-A64 PolarHBondContact O-N 2.67Å; A64-F66 PolarHBondContact O-N 3.12Å; A64-G69 WeakPolarHBondContact O-CA 3.32Å; A64-L71 HydrophobicContact CB-CB 3.71Å; A64-F101 HydrophobicContact CB-CB 4.11Å
65	C	97	Very high	96.6	Very high	83 Å²	83	34.8 Å²	34.8	56%	0.561	18%	0.182	S	C	*	.			trans	-84.9	54.3	-179.4	-164.6	0	0	0	0	111.7	V41 D63	V41-C65 PolarHBondContact O-N 3.48Å; D63-C65 WeakPolarHBondContact OD1-CB 3.37Å; D63-C65 PolarHBondContact OD1-N 2.93Å
66	F	97.9	Very high	96.8	Very high	63 Å²	63	33.7 Å²	33.7	28%	0.276	17%	0.172	S	C	.	.	S	Bend	trans	-141.3	170.8	177.7	54	-101.8	0	0	0	110.6	D63 A64 S68 G69 T102	D63-F66 WeakPolarHBondContact O-CE1 3.27Å; A64-F66 PolarHBondContact O-N 3.12Å; F66-S68 PolarHBondContact O-N 2.83Å; F66-G69 WeakPolarHBondContact O-CA 3.36Å; F66-G69 PolarHBondContact O-N 2.8Å; F66-T102 HydrophobicContact CE1-CG2 3.83Å; F66-T102 HydrophobicContact CZ-CG2 4.12Å
67	E	98.1	Very high	96.8	Very high	31 Å²	31	31.4 Å²	31.4	15%	0.145	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	130	-178.3	-172.7	-176.3	-173.8	0	0	112.3	G69 T186 Y187 S188 Y292	E67-G69 PolarHBondContact O-N 3.16Å; E67-G69 VanDerWaalsContact O-N 3.12Å; E67-T186 HydrophobicContact CG-CG2 4.32Å; E67-T186 WeakPolarHBondContact OE1-CB 3.5Å; E67-T186 WeakPolarHBondContact OE2-CB 3.45Å; E67-T186 PolarHBondContact OE2-OG1 3.33Å; E67-Y187 VanDerWaalsContact OE1-CA 3.26Å; E67-Y187 WeakPolarHBondContact OE1-CA 3.28Å; E67-Y187 WeakPolarHBondContact OE1-CB 3.46Å; E67-Y187 PolarHBondContact OE1-N 3.35Å; E67-S188 VanDerWaalsContact CD-OG 3.28Å; E67-S188 PolarHBondContact OE1-N 2.81Å; E67-S188 PolarHBondContact OE1-OG 3.25Å; E67-S188 WeakPolarHBondContact OE2-CB 3.27Å; E67-S188 PolarHBondContact OE2-N 2.88Å; E67-S188 PolarHBondContact OE2-OG 3.07Å; E67-Y292 HydrophobicContact CB-CD2 4.39Å; E67-Y292 HydrophobicContact CB-CE2 4.39Å; E67-Y292 HydrophobicContact CG-CD2 3.63Å; E67-Y292 HydrophobicContact CG-CE2 4.08Å; E67-Y292 HydrophobicContact CG-CG 4.15Å
68	S	98.2	Very high	96.8	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.035	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.8	-174.6	-53	0	0	0	0	114.4	F66 W98 N100 V291 Y292	F66-S68 PolarHBondContact O-N 2.83Å; S68-W98 PolarHBondContact O-NE1 2.77Å; S68-N100 VanDerWaalsContact O-CB 3.28Å; S68-N100 WeakPolarHBondContact O-CB 3.09Å; S68-N100 PolarHBondContact O-ND2 2.92Å; S68-N100 VanDerWaalsContact O-ND2 3.13Å; S68-V291 WeakPolarHBondContact CA-O 3.49Å; S68-V291 WeakPolarHBondContact CB-O 3.38Å; S68-V291 PolarHBondContact OG-O 2.9Å; S68-Y292 PolarHBondContact N-O 3.16Å
69	G	98.4	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.			trans	-69.6	140.2	172.5	0	0	0	0	0	111.3	N40 A64 F66 E67 N100	N40-G69 PolarHBondContact ND2-O 2.85Å; A64-G69 WeakPolarHBondContact O-CA 3.32Å; F66-G69 WeakPolarHBondContact O-CA 3.36Å; F66-G69 PolarHBondContact O-N 2.8Å; E67-G69 PolarHBondContact O-N 3.16Å; E67-G69 VanDerWaalsContact O-N 3.12Å; G69-N100 CarbonylContact C-O 3.51Å; G69-N100 VanDerWaalsContact CA-O 3.3Å; G69-N100 WeakPolarHBondContact CA-O 3.45Å
70	N	98.3	Very high	96.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-153.1	107.7	174.3	-172.1	-27.5	0	0	0	110.6	I86 R87 W98 F99 N100 G294	N70-I86 WeakPolarHBondContact OD1-CG2 3.28Å; N70-R87 PolarHBondContact ND2-O 3.46Å; N70-R87 WeakPolarHBondContact OD1-CB 3.41Å; N70-R87 PolarHBondContact OD1-N 3.36Å; N70-R87 PolarHBondContact OD1-O 3.24Å; N70-W98 PolarHBondContact ND2-O 3.13Å; N70-F99 VanDerWaalsContact O-CA 3.26Å; N70-F99 WeakPolarHBondContact O-CA 3.31Å; N70-F99 WeakPolarHBondContact O-CB 3.35Å; N70-N100 PolarHBondContact N-O 3.4Å; N70-N100 PolarHBondContact O-N 2.78Å; N70-G294 WeakPolarHBondContact CB-O 3.46Å; N70-G294 PolarHBondContact ND2-O 3.05Å
71	L	98.1	Very high	96.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.208	C	C	.	.			trans	-162.9	118.3	165.2	177.8	64.5	0	0	0	106.1	N40 V41 F62 A64 V74 L84 F101	N40-L71 CarbonylContact C-O 3.57Å; N40-L71 VanDerWaalsContact CA-O 3.25Å; N40-L71 WeakPolarHBondContact CA-O 3.33Å; V41-L71 HydrophobicContact CG2-CB 4.21Å; V41-L71 HydrophobicContact CG2-CD2 3.95Å; V41-L71 HydrophobicContact CG2-CG 4.06Å; V41-L71 PolarHBondContact N-O 2.91Å; F62-L71 HydrophobicContact CB-CD2 4.35Å; F62-L71 HydrophobicContact CD1-CD2 4.04Å; A64-L71 HydrophobicContact CB-CB 3.71Å; L71-V74 HydrophobicContact CD2-CG2 3.59Å; L71-V74 HydrophobicContact CG-CG2 4.12Å; L71-L84 HydrophobicContact CD1-CB 3.85Å; L71-F101 HydrophobicContact CB-CB 3.84Å; L71-F101 HydrophobicContact CB-CD1 4.33Å; L71-F101 HydrophobicContact CB-CG 4.31Å; L71-F101 HydrophobicContact CD2-CB 3.72Å; L71-F101 HydrophobicContact CD2-CD1 4.06Å; L71-F101 HydrophobicContact CD2-CD2 3.94Å; L71-F101 HydrophobicContact CD2-CG 3.65Å; L71-F101 HydrophobicContact CG-CB 4.43Å
72	G	96.7	Very high	96.3	Very high	12 Å²	12	39.4 Å²	39.4	12%	0.124	20%	0.203	C	C	.	.			trans	-97.7	-26.2	-169.9	0	0	0	0	0	114.9	V37 G39 F85	V37-G72 WeakPolarHBondContact CG1-O 3.25Å; G39-G72 VanDerWaalsContact O-CA 3.24Å; G39-G72 WeakPolarHBondContact O-CA 3.24Å; G72-F85 PolarHBondContact N-O 3.03Å
73	K	96.2	Very high	96.2	Very high	79 Å²	79	40.8 Å²	40.8	34%	0.343	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.8	176.1	175.5	-178.6	-179.1	-176.9	0	110.9	V37 V75 F85	V37-K73 HydrophobicContact CG2-CB 3.8Å; V37-K73 HydrophobicContact CG2-CD 4.11Å; K73-V75 HydrophobicContact CD-CG2 4.31Å; K73-V75 HydrophobicContact CG-CG2 4.26Å; K73-F85 HydrophobicContact CB-CB 4.03Å; K73-F85 HydrophobicContact CB-CD2 4.29Å; K73-F85 HydrophobicContact CB-CG 4.4Å; K73-F85 HydrophobicContact CD-CD2 4.39Å; K73-F85 HydrophobicContact CG-CD2 4.25Å; K73-F85 PolarHBondContact N-O 3.41Å; K73-F85 PolarHBondContact O-N 3.27Å
74	V	96.8	Very high	96.1	Very high	20 Å²	20	39.7 Å²	39.7	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134	172.3	-177.4	0	0	0	0	108.5	V41 A46 F62 L71 Y82 N83 L84	V41-V74 HydrophobicContact CG1-CG2 4.45Å; A46-V74 HydrophobicContact CB-CB 4.49Å; A46-V74 HydrophobicContact CB-CG1 3.66Å; F62-V74 HydrophobicContact CB-CG2 3.9Å; F62-V74 HydrophobicContact CD1-CG1 4.41Å; F62-V74 HydrophobicContact CD1-CG2 3.88Å; F62-V74 HydrophobicContact CD2-CB 4.43Å; F62-V74 HydrophobicContact CD2-CG1 3.93Å; F62-V74 HydrophobicContact CD2-CG2 4.23Å; F62-V74 HydrophobicContact CE1-CG1 4.31Å; F62-V74 HydrophobicContact CE1-CG2 4.48Å; F62-V74 HydrophobicContact CE2-CG1 3.85Å; F62-V74 HydrophobicContact CG-CB 4.43Å; F62-V74 HydrophobicContact CG-CG1 4.23Å; F62-V74 HydrophobicContact CG-CG2 3.74Å; F62-V74 HydrophobicContact CZ-CG1 4.04Å; L71-V74 HydrophobicContact CD2-CG2 3.59Å; L71-V74 HydrophobicContact CG-CG2 4.12Å; V74-Y82 HydrophobicContact CG1-CD1 4.25Å; V74-N83 WeakPolarHBondContact CA-O 3.33Å; V74-L84 HydrophobicContact CB-CD2 4.36Å; V74-L84 HydrophobicContact CG1-CD2 3.85Å; V74-L84 HydrophobicContact CG2-CD2 3.92Å
75	V	95	Very high	96	Very high	49 Å²	49	40.8 Å²	40.8	30%	0.297	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.7	175.5	175.7	0	0	0	0	108.2	K73 V77 Y82 N83 F85	K73-V75 HydrophobicContact CD-CG2 4.31Å; K73-V75 HydrophobicContact CG-CG2 4.26Å; V75-V77 PolarHBondContact O-N 3.43Å; V75-Y82 WeakPolarHBondContact O-CA 3.41Å; V75-N83 HydrophobicContact CB-CB 4.23Å; V75-N83 PolarHBondContact N-O 3.17Å; V75-N83 PolarHBondContact O-N 3.33Å; V75-F85 HydrophobicContact CB-CE2 4.38Å; V75-F85 HydrophobicContact CG2-CD2 4.44Å; V75-F85 HydrophobicContact CG2-CE2 3.78Å
76	Y	95.7	Very high	96	Very high	74 Å²	74	36.9 Å²	36.9	29%	0.29	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.6	169	-179.5	-84.9	0	0	0	109.3	A46 S78 E79 Y82	A46-Y76 WeakPolarHBondContact O-CD2 3.43Å; Y76-S78 VanDerWaalsContact CE2-O 3.29Å; Y76-S78 WeakPolarHBondContact CE2-O 3.4Å; Y76-S78 VanDerWaalsContact CZ-O 3.28Å; Y76-S78 VanDerWaalsContact OH-C 3.31Å; Y76-E79 WeakPolarHBondContact OH-CA 3.44Å; Y76-E79 PolarHBondContact OH-N 2.82Å; Y76-E79 VanDerWaalsContact OH-N 3.11Å; Y76-Y82 HydrophobicContact CD2-CD1 4.37Å; Y76-Y82 AromaticContact CD2-CE1 3.69Å; Y76-Y82 HydrophobicContact CD2-CE1 3.69Å; Y76-Y82 HydrophobicContact CE2-CE1 4.37Å
77	V	93.8	Very high	95.9	Very high	67 Å²	67	34.6 Å²	34.6	41%	0.406	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-50.4	178.2	-178.4	0	0	0	0	110	V75 E81 N83	V75-V77 PolarHBondContact O-N 3.43Å; V77-E81 WeakPolarHBondContact CA-O 3.43Å; V77-E81 HydrophobicContact CB-CB 4.05Å; V77-E81 HydrophobicContact CB-CG 3.99Å; V77-E81 WeakPolarHBondContact CB-O 3.42Å; V77-E81 HydrophobicContact CG1-CB 4.43Å; V77-E81 HydrophobicContact CG1-CG 4.25Å; V77-E81 HydrophobicContact CG2-CG 4.34Å; V77-E81 PolarHBondContact N-O 3.29Å; V77-N83 HydrophobicContact CG2-CB 4.18Å; V77-N83 WeakPolarHBondContact CG2-ND2 3.49Å
78	S	92.5	Very high	95.8	Very high	44 Å²	44	34.2 Å²	34.2	31%	0.308	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	179.7	177	74	0	0	0	0	110.4	Y76 Y80 E81	Y76-S78 VanDerWaalsContact CE2-O 3.29Å; Y76-S78 WeakPolarHBondContact CE2-O 3.4Å; Y76-S78 VanDerWaalsContact CZ-O 3.28Å; Y76-S78 VanDerWaalsContact OH-C 3.31Å; S78-Y80 PolarHBondContact O-N 3.48Å; S78-Y80 PolarHBondContact OG-N 3.41Å; S78-E81 PolarHBondContact N-O 2.85Å; S78-E81 VanDerWaalsContact N-O 3.15Å; S78-E81 PolarHBondContact O-N 3.18Å; S78-E81 WeakPolarHBondContact OG-CB 3.32Å; S78-E81 PolarHBondContact OG-N 2.94Å
79	E	89.1	Confident	95.7	Very high	118 Å²	118	34.1 Å²	34.1	55%	0.551	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-33.1	176	-172.2	-174.8	149.2	0	0	112.8	Y76	Y76-E79 WeakPolarHBondContact OH-CA 3.44Å; Y76-E79 PolarHBondContact OH-N 2.82Å; Y76-E79 VanDerWaalsContact OH-N 3.11Å
80	Y	92.6	Very high	95.5	Very high	91 Å²	91	35.8 Å²	35.8	36%	0.357	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	2.3	-175.6	-50.7	-58.8	0	0	0	113.6	S78 R111 V112 I113	S78-Y80 PolarHBondContact O-N 3.48Å; S78-Y80 PolarHBondContact OG-N 3.41Å; Y80-R111 WeakPolarHBondContact CD1-O 3.38Å; Y80-V112 CarbonylContact O-C 3.6Å; Y80-V112 VanDerWaalsContact O-CA 3.27Å; Y80-V112 WeakPolarHBondContact O-CA 3.39Å; Y80-I113 PolarHBondContact O-N 3.09Å
81	E	95.6	Very high	95.4	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.7	-167.8	-171	175.4	-166.3	0	0	113.3	V77 S78 I113 N115	V77-E81 WeakPolarHBondContact CA-O 3.43Å; V77-E81 HydrophobicContact CB-CB 4.05Å; V77-E81 HydrophobicContact CB-CG 3.99Å; V77-E81 WeakPolarHBondContact CB-O 3.42Å; V77-E81 HydrophobicContact CG1-CB 4.43Å; V77-E81 HydrophobicContact CG1-CG 4.25Å; V77-E81 HydrophobicContact CG2-CG 4.34Å; V77-E81 PolarHBondContact N-O 3.29Å; S78-E81 PolarHBondContact N-O 2.85Å; S78-E81 VanDerWaalsContact N-O 3.15Å; S78-E81 PolarHBondContact O-N 3.18Å; S78-E81 WeakPolarHBondContact OG-CB 3.32Å; S78-E81 PolarHBondContact OG-N 2.94Å; E81-I113 HydrophobicContact CG-CB 4.42Å; E81-N115 WeakPolarHBondContact CG-ND2 3.31Å; E81-N115 PolarHBondContact OE1-ND2 3.41Å
82	Y	97.3	Very high	95.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132	-179.6	-56	-104.9	0	0	0	110.5	A46 L60 F62 V74 V75 Y76 V112 I113 F114 N115	A46-Y82 HydrophobicContact CB-CD1 3.82Å; A46-Y82 HydrophobicContact CB-CE1 3.74Å; L60-Y82 HydrophobicContact CB-CE1 4.43Å; L60-Y82 HydrophobicContact CD1-CE1 4.34Å; L60-Y82 HydrophobicContact CD1-CE2 3.84Å; F62-Y82 HydrophobicContact CE2-CD1 4.05Å; F62-Y82 HydrophobicContact CE2-CE1 4.2Å; F62-Y82 AromaticContact CZ-CD1 4Å; F62-Y82 HydrophobicContact CZ-CD1 4Å; F62-Y82 HydrophobicContact CZ-CE1 4.41Å; F62-Y82 HydrophobicContact CZ-CG 4.27Å; V74-Y82 HydrophobicContact CG1-CD1 4.25Å; V75-Y82 WeakPolarHBondContact O-CA 3.41Å; Y76-Y82 HydrophobicContact CD2-CD1 4.37Å; Y76-Y82 AromaticContact CD2-CE1 3.69Å; Y76-Y82 HydrophobicContact CD2-CE1 3.69Å; Y76-Y82 HydrophobicContact CE2-CE1 4.37Å; Y82-V112 HydrophobicContact CD2-CB 4.43Å; Y82-V112 HydrophobicContact CD2-CG1 4.33Å; Y82-V112 HydrophobicContact CE2-CB 4.34Å; Y82-V112 HydrophobicContact CE2-CG1 3.77Å; Y82-I113 PolarHBondContact N-O 3.37Å; Y82-F114 HydrophobicContact CD2-CD1 4.24Å; Y82-F114 AromaticContact CD2-CE1 3.82Å; Y82-F114 HydrophobicContact CD2-CE1 3.82Å; Y82-F114 HydrophobicContact CG-CD1 4.33Å; Y82-F114 HydrophobicContact CG-CE1 4.05Å; Y82-N115 PolarHBondContact O-N 3.43Å
83	N	96	Very high	94.8	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.16	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.4	171.7	-71.7	-20.2	0	0	0	109.9	V74 V75 V77 F85 N115 V117	V74-N83 WeakPolarHBondContact CA-O 3.33Å; V75-N83 HydrophobicContact CB-CB 4.23Å; V75-N83 PolarHBondContact N-O 3.17Å; V75-N83 PolarHBondContact O-N 3.33Å; V77-N83 HydrophobicContact CG2-CB 4.18Å; V77-N83 WeakPolarHBondContact CG2-ND2 3.49Å; N83-F85 HydrophobicContact CB-CE2 4.06Å; N83-N115 VanDerWaalsContact OD1-CB 3.27Å; N83-N115 WeakPolarHBondContact OD1-CB 3.42Å; N83-N115 PolarHBondContact OD1-ND2 3.3Å; N83-V117 HydrophobicContact CB-CG1 4.03Å; N83-V117 HydrophobicContact CB-CG2 4.5Å
84	L	97.1	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.9	-176.8	-53.2	-170.3	0	0	0	109.8	F62 L71 V74 F101 F114 N115 I116 V117	F62-L84 HydrophobicContact CD1-CD2 4.45Å; F62-L84 HydrophobicContact CE1-CD2 3.98Å; L71-L84 HydrophobicContact CD1-CB 3.85Å; V74-L84 HydrophobicContact CB-CD2 4.36Å; V74-L84 HydrophobicContact CG1-CD2 3.85Å; V74-L84 HydrophobicContact CG2-CD2 3.92Å; L84-F101 HydrophobicContact CD1-CE1 3.9Å; L84-F101 HydrophobicContact CD1-CE2 4.12Å; L84-F101 HydrophobicContact CD1-CZ 3.44Å; L84-F101 VanDerWaalsContact CD1-CZ 3.44Å; L84-F114 HydrophobicContact CD1-CB 3.77Å; L84-F114 HydrophobicContact CD1-CD1 4.11Å; L84-F114 HydrophobicContact CD1-CG 4.02Å; L84-F114 HydrophobicContact CD2-CD1 4.34Å; L84-F114 HydrophobicContact CG-CB 4.37Å; L84-F114 HydrophobicContact CG-CD1 4.42Å; L84-N115 PolarHBondContact N-O 2.76Å; L84-I116 HydrophobicContact CB-CG1 4.42Å; L84-I116 WeakPolarHBondContact O-CA 3.46Å; L84-V117 PolarHBondContact O-N 3.06Å; L84-V117 VanDerWaalsContact O-N 3.11Å
85	F	96.2	Very high	94.3	Very high	23 Å²	23	45.1 Å²	45.1	10%	0.101	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.3	179.7	-64.8	-105	0	0	0	109.5	G72 K73 V75 N83 V117 N118	G72-F85 PolarHBondContact N-O 3.03Å; K73-F85 HydrophobicContact CB-CB 4.03Å; K73-F85 HydrophobicContact CB-CD2 4.29Å; K73-F85 HydrophobicContact CB-CG 4.4Å; K73-F85 HydrophobicContact CD-CD2 4.39Å; K73-F85 HydrophobicContact CG-CD2 4.25Å; K73-F85 PolarHBondContact N-O 3.41Å; K73-F85 PolarHBondContact O-N 3.27Å; V75-F85 HydrophobicContact CB-CE2 4.38Å; V75-F85 HydrophobicContact CG2-CD2 4.44Å; V75-F85 HydrophobicContact CG2-CE2 3.78Å; N83-F85 HydrophobicContact CB-CE2 4.06Å; F85-V117 HydrophobicContact CD1-CG2 3.67Å; F85-V117 HydrophobicContact CD2-CG2 4Å; F85-V117 HydrophobicContact CE1-CG2 3.38Å; F85-V117 HydrophobicContact CE2-CG2 3.71Å; F85-V117 HydrophobicContact CG-CG2 3.97Å; F85-V117 HydrophobicContact CZ-CG2 3.4Å; F85-V117 VanDerWaalsContact CZ-CG2 3.4Å; F85-N118 WeakPolarHBondContact CA-OD1 3.33Å; F85-N118 HydrophobicContact CD1-CB 4.21Å
86	I	96.5	Very high	94.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.6	134.6	173.7	-62.5	176.8	0	0	0	109	N70 R96 W98 F99 I116 N118 F119	N70-I86 WeakPolarHBondContact OD1-CG2 3.28Å; I86-R96 HydrophobicContact CB-CB 4.14Å; I86-R96 HydrophobicContact CG2-CB 4.01Å; I86-W98 VanDerWaalsContact CG2-O 3.28Å; I86-W98 WeakPolarHBondContact CG2-O 3.32Å; I86-F99 HydrophobicContact CD1-CB 4.31Å; I86-F99 HydrophobicContact CD1-CD1 4.06Å; I86-F99 HydrophobicContact CG1-CB 4.17Å; I86-I116 HydrophobicContact CD1-CG2 3.56Å; I86-I116 HydrophobicContact CG1-CG2 3.79Å; I86-N118 PolarHBondContact N-ND2 2.89Å; I86-N118 PolarHBondContact N-OD1 3.41Å; I86-N118 PolarHBondContact O-ND2 2.92Å; I86-F119 HydrophobicContact CD1-CD2 3.83Å; I86-F119 HydrophobicContact CD1-CE2 4.37Å
87	R	95.9	Very high	94.2	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-70.1	133.1	171.5	-176	-172	57.6	80.6	-3.9	108.5	N40 N70 T90 L293 N295	N40-R87 WeakPolarHBondContact OD1-CD 3.29Å; N40-R87 PolarHBondContact OD1-NE 3.22Å; N70-R87 PolarHBondContact ND2-O 3.46Å; N70-R87 WeakPolarHBondContact OD1-CB 3.41Å; N70-R87 PolarHBondContact OD1-N 3.36Å; N70-R87 PolarHBondContact OD1-O 3.24Å; R87-T90 PolarHBondContact NH1-OG1 3.27Å; R87-L293 PolarHBondContact NH2-O 3.4Å; R87-N295 PolarHBondContact NH2-OD1 2.95Å
88	P	95.8	Very high	94.4	Very high	24 Å²	24	37.6 Å²	37.6	16%	0.156	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-60.4	154.8	173	26.9	-33.7	0	0	0	111.2	T90 F95 R96	P88-T90 PolarHBondContact O-N 3.02Å; P88-F95 VanDerWaalsContact CA-O 3.31Å; P88-F95 WeakPolarHBondContact CA-O 3.28Å; P88-R96 HydrophobicContact CB-CG 4.28Å
89	D	96.5	Very high	94.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-50.1	141.6	169.1	-83.6	16	0	0	0	110.9	C91 N92 F95 N295 Y296 R297 S298	D89-C91 PolarHBondContact O-N 2.94Å; D89-N92 HydrophobicContact CB-CB 4Å; D89-N92 PolarHBondContact N-O 3.44Å; D89-N92 CarbonylContact O-C 3.24Å; D89-N92 PolarHBondContact O-N 3.07Å; D89-F95 HydrophobicContact CB-CB 4.2Å; D89-F95 PolarHBondContact N-O 3.03Å; D89-N295 HydrophobicContact CB-CB 4.37Å; D89-N295 WeakPolarHBondContact OD1-CA 3.46Å; D89-Y296 PolarHBondContact OD1-N 2.84Å; D89-R297 WeakPolarHBondContact OD2-CA 3.29Å; D89-R297 PolarHBondContact OD2-N 2.84Å; D89-S298 WeakPolarHBondContact OD2-CB 3.26Å; D89-S298 PolarHBondContact OD2-N 2.91Å; D89-S298 PolarHBondContact OD2-OG 3.03Å
90	T	94.8	Very high	95.1	Very high	34 Å²	34	30 Å²	30	21%	0.209	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.9	178.8	-51.7	0	0	0	0	110.4	R87 P88 N92 N295 L300 G302	R87-T90 PolarHBondContact NH1-OG1 3.27Å; P88-T90 PolarHBondContact O-N 3.02Å; T90-N92 PolarHBondContact O-N 3.44Å; T90-N295 PolarHBondContact N-OD1 3.36Å; T90-N295 PolarHBondContact OG1-OD1 2.98Å; T90-L300 HydrophobicContact CG2-CD1 4.09Å; T90-G302 WeakPolarHBondContact O-CA 3.24Å; T90-G302 PolarHBondContact O-N 3.06Å
91	C	94.3	Very high	95.4	Very high	103 Å²	103	25.6 Å²	25.6	70%	0.696	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	16.2	-174.8	-61	0	0	0	0	114.8	D89	D89-C91 PolarHBondContact O-N 2.94Å
92	N	93.1	Very high	95.5	Very high	29 Å²	29	23.4 Å²	23.4	16%	0.155	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-144.2	99.6	177	-168.4	-43.2	0	0	0	111.9	D89 T90 R94 G302	D89-N92 HydrophobicContact CB-CB 4Å; D89-N92 PolarHBondContact N-O 3.44Å; D89-N92 CarbonylContact O-C 3.24Å; D89-N92 PolarHBondContact O-N 3.07Å; T90-N92 PolarHBondContact O-N 3.44Å; N92-R94 PolarHBondContact O-N 3.36Å; N92-R94 VanDerWaalsContact O-N 3.12Å; N92-R94 WeakPolarHBondContact OD1-CB 3.32Å; N92-R94 PolarHBondContact OD1-N 2.78Å; N92-G302 PolarHBondContact ND2-O 2.94Å
93	A	90.2	Very high	95.6	Very high	65 Å²	65	23.2 Å²	23.2	54%	0.537	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1.2	-176.8	0	0	0	0	0	115	R96	A93-R96 PolarHBondContact O-NH1 2.96Å; A93-R96 PolarHBondContact O-NH2 3.19Å
94	R	89.7	Confident	95.7	Very high	77 Å²	77	23.9 Å²	23.9	29%	0.291	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-40.5	-175.7	-64.5	173.3	69.6	-160.2	3.7	112.4	D21 N92 S120	D21-R94 IonicContact OD2-CZ 3.76Å; D21-R94 IonicContact OD2-NH1 3.46Å; D21-R94 PolarHBondContact OD2-NH1 3.18Å; D21-R94 IonicContact OD2-NH2 3.87Å; N92-R94 PolarHBondContact O-N 3.36Å; N92-R94 VanDerWaalsContact O-N 3.12Å; N92-R94 WeakPolarHBondContact OD1-CB 3.32Å; N92-R94 PolarHBondContact OD1-N 2.78Å; R94-S120 WeakPolarHBondContact O-CB 3.28Å
95	F	92.8	Very high	95.7	Very high	36 Å²	36	25.3 Å²	25.3	16%	0.158	14%	0.141	C	C	.	.			trans	-91.1	118.2	-170.2	-61	-68.6	0	0	0	112.4	P88 D89 Y296 R297	P88-F95 VanDerWaalsContact CA-O 3.31Å; P88-F95 WeakPolarHBondContact CA-O 3.28Å; D89-F95 HydrophobicContact CB-CB 4.2Å; D89-F95 PolarHBondContact N-O 3.03Å; F95-Y296 HydrophobicContact CB-CD1 4.44Å; F95-Y296 HydrophobicContact CD1-CD1 4.26Å; F95-R297 HydrophobicContact CB-CB 4.38Å; F95-R297 HydrophobicContact CD1-CB 3.96Å; F95-R297 HydrophobicContact CD1-CG 4.18Å; F95-R297 HydrophobicContact CD2-CB 3.71Å; F95-R297 HydrophobicContact CD2-CG 4.14Å; F95-R297 HydrophobicContact CE1-CB 4.16Å; F95-R297 HydrophobicContact CE1-CG 3.86Å; F95-R297 HydrophobicContact CE2-CB 3.92Å; F95-R297 HydrophobicContact CE2-CG 3.81Å; F95-R297 HydrophobicContact CG-CB 3.74Å; F95-R297 HydrophobicContact CG-CG 4.32Å; F95-R297 HydrophobicContact CZ-CB 4.15Å; F95-R297 HydrophobicContact CZ-CG 3.67Å
96	R	93.8	Very high	95.7	Very high	28 Å²	28	24.2 Å²	24.2	11%	0.106	14%	0.136	C	C	.	.			trans	-137.5	86.7	173.5	-65.3	177.8	-171.5	74.7	4.7	108.7	I86 P88 A93 N118 S120	I86-R96 HydrophobicContact CB-CB 4.14Å; I86-R96 HydrophobicContact CG2-CB 4.01Å; P88-R96 HydrophobicContact CB-CG 4.28Å; A93-R96 PolarHBondContact O-NH1 2.96Å; A93-R96 PolarHBondContact O-NH2 3.19Å; R96-N118 WeakPolarHBondContact CB-O 3.44Å; R96-N118 WeakPolarHBondContact CD-ND2 3.45Å; R96-N118 WeakPolarHBondContact CD-O 3.3Å; R96-S120 VanDerWaalsContact C-OG 3.23Å; R96-S120 WeakPolarHBondContact CA-OG 3.49Å; R96-S120 PolarHBondContact N-OG 3.31Å; R96-S120 PolarHBondContact O-N 3.42Å; R96-S120 PolarHBondContact O-OG 2.88Å
97	V	94.8	Very high	95.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.16	C	C	.	.			trans	-137.7	-54.8	-172.4	-177.1	0	0	0	0	110.9	F99 F119 S120 K121 Y181 Y296	V97-F99 PolarHBondContact O-N 2.99Å; V97-F119 HydrophobicContact CB-CE2 4.47Å; V97-F119 HydrophobicContact CG1-CE2 4.06Å; V97-F119 HydrophobicContact CG1-CZ 3.84Å; V97-F119 WeakPolarHBondContact O-CE2 3.31Å; V97-S120 VanDerWaalsContact CG2-OG 3.31Å; V97-S120 WeakPolarHBondContact CG2-OG 3.42Å; V97-K121 HydrophobicContact CG1-CD 4.23Å; V97-K121 HydrophobicContact CG2-CB 4.35Å; V97-K121 HydrophobicContact CG2-CD 4.09Å; V97-K121 HydrophobicContact CG2-CG 3.79Å; V97-Y181 HydrophobicContact CG1-CD2 4.38Å; V97-Y181 HydrophobicContact CG1-CE2 3.88Å; V97-Y181 WeakPolarHBondContact O-CD2 3.15Å; V97-Y296 HydrophobicContact CB-CD1 3.78Å; V97-Y296 HydrophobicContact CB-CD2 3.73Å; V97-Y296 HydrophobicContact CB-CE1 4.19Å; V97-Y296 HydrophobicContact CB-CE2 4.18Å; V97-Y296 HydrophobicContact CB-CG 3.58Å; V97-Y296 HydrophobicContact CG1-CD1 4.37Å; V97-Y296 HydrophobicContact CG1-CD2 3.78Å; V97-Y296 HydrophobicContact CG1-CE1 4.36Å; V97-Y296 HydrophobicContact CG1-CE2 3.8Å; V97-Y296 HydrophobicContact CG1-CG 4.14Å; V97-Y296 HydrophobicContact CG2-CD1 3.71Å; V97-Y296 HydrophobicContact CG2-CE1 3.96Å; V97-Y296 HydrophobicContact CG2-CG 4.06Å
98	W	97.4	Very high	95.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.015	18%	0.179	C	C	.	.			trans	-70.2	130.1	179.2	-179.5	-103.6	0	0	0	110.1	S68 N70 I86 N100 Y181 C182 P184 T251 Y296	S68-W98 PolarHBondContact O-NE1 2.77Å; N70-W98 PolarHBondContact ND2-O 3.13Å; I86-W98 VanDerWaalsContact CG2-O 3.28Å; I86-W98 WeakPolarHBondContact CG2-O 3.32Å; W98-N100 HydrophobicContact CZ2-CB 4.04Å; W98-Y181 AromaticContact CE3-CD1 3.97Å; W98-Y181 HydrophobicContact CE3-CD1 3.97Å; W98-Y181 HydrophobicContact CE3-CG 4.18Å; W98-Y181 HydrophobicContact CZ3-CD1 4.12Å; W98-Y181 HydrophobicContact CZ3-CG 4.49Å; W98-C182 WeakPolarHBondContact CH2-O 2.83Å; W98-C182 HydrophobicContact CZ3-CB 4.36Å; W98-P184 HydrophobicContact CH2-CB 4.31Å; W98-P184 HydrophobicContact CH2-CG 4.22Å; W98-P184 HydrophobicContact CZ2-CB 4.22Å; W98-P184 HydrophobicContact CZ2-CG 4.27Å; W98-T251 HydrophobicContact CH2-CG2 3.56Å; W98-T251 HydrophobicContact CZ2-CG2 4.28Å; W98-T251 HydrophobicContact CZ3-CG2 3.68Å; W98-Y296 HydrophobicContact CB-CD2 4.28Å
99	F	98.1	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.			trans	-132.7	146.8	167	60.5	-90.3	0	0	0	109	N70 I86 V97 F101 I116 P132 M164 A180 Y181	N70-F99 VanDerWaalsContact O-CA 3.26Å; N70-F99 WeakPolarHBondContact O-CA 3.31Å; N70-F99 WeakPolarHBondContact O-CB 3.35Å; I86-F99 HydrophobicContact CD1-CB 4.31Å; I86-F99 HydrophobicContact CD1-CD1 4.06Å; I86-F99 HydrophobicContact CG1-CB 4.17Å; V97-F99 PolarHBondContact O-N 2.99Å; F99-F101 HydrophobicContact CB-CD1 4.46Å; F99-F101 HydrophobicContact CD2-CD1 4.12Å; F99-F101 AromaticContact CD2-CE1 3.76Å; F99-F101 HydrophobicContact CD2-CE1 3.76Å; F99-F101 HydrophobicContact CE2-CE1 4.41Å; F99-I116 HydrophobicContact CB-CD1 4.46Å; F99-I116 HydrophobicContact CD1-CD1 3.34Å; F99-I116 HydrophobicContact CD2-CD1 4.07Å; F99-I116 HydrophobicContact CE1-CD1 3.39Å; F99-I116 HydrophobicContact CE2-CD1 4.1Å; F99-I116 HydrophobicContact CG-CD1 3.69Å; F99-I116 HydrophobicContact CZ-CD1 3.77Å; F99-P132 HydrophobicContact CE2-CB 4.07Å; F99-P132 HydrophobicContact CE2-CG 4.47Å; F99-P132 HydrophobicContact CZ-CB 3.85Å; F99-P132 HydrophobicContact CZ-CG 3.89Å; F99-M164 HydrophobicContact CE1-CE 3.58Å; F99-M164 HydrophobicContact CZ-CE 3.94Å; F99-A180 WeakPolarHBondContact O-CA 3.4Å; F99-Y181 HydrophobicContact CD1-CD2 4.28Å; F99-Y181 AromaticContact CE1-CD2 3.78Å; F99-Y181 HydrophobicContact CE1-CD2 3.78Å; F99-Y181 HydrophobicContact CE1-CG 4.29Å; F99-Y181 PolarHBondContact O-N 3.04Å
100	N	98.7	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	110.5	177	-178.7	8.5	0	0	0	107.5	S68 G69 N70 W98 Q178 F179 A180	S68-N100 VanDerWaalsContact O-CB 3.28Å; S68-N100 WeakPolarHBondContact O-CB 3.09Å; S68-N100 PolarHBondContact O-ND2 2.92Å; S68-N100 VanDerWaalsContact O-ND2 3.13Å; G69-N100 CarbonylContact C-O 3.51Å; G69-N100 VanDerWaalsContact CA-O 3.3Å; G69-N100 WeakPolarHBondContact CA-O 3.45Å; N70-N100 PolarHBondContact N-O 3.4Å; N70-N100 PolarHBondContact O-N 2.78Å; W98-N100 HydrophobicContact CZ2-CB 4.04Å; N100-Q178 PolarHBondContact OD1-NE2 3.33Å; N100-F179 VanDerWaalsContact CA-O 3.29Å; N100-F179 WeakPolarHBondContact CA-O 3.19Å; N100-A180 HydrophobicContact CB-CB 4.27Å
101	F	98.7	Very high	95.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.4	-173.6	62.7	-90.9	0	0	0	110.7	F62 D63 A64 L71 L84 F99 V103 F166 Q178 F179	F62-F101 HydrophobicContact CD1-CD2 4.16Å; F62-F101 HydrophobicContact CD1-CE2 4.27Å; F62-F101 HydrophobicContact CE1-CE2 4.31Å; D63-F101 CarbonylContact O-C 3.44Å; D63-F101 VanDerWaalsContact O-CA 3.28Å; D63-F101 WeakPolarHBondContact O-CA 3.39Å; D63-F101 WeakPolarHBondContact O-CB 3.32Å; A64-F101 HydrophobicContact CB-CB 4.11Å; L71-F101 HydrophobicContact CB-CB 3.84Å; L71-F101 HydrophobicContact CB-CD1 4.33Å; L71-F101 HydrophobicContact CB-CG 4.31Å; L71-F101 HydrophobicContact CD2-CB 3.72Å; L71-F101 HydrophobicContact CD2-CD1 4.06Å; L71-F101 HydrophobicContact CD2-CD2 3.94Å; L71-F101 HydrophobicContact CD2-CG 3.65Å; L71-F101 HydrophobicContact CG-CB 4.43Å; L84-F101 HydrophobicContact CD1-CE1 3.9Å; L84-F101 HydrophobicContact CD1-CE2 4.12Å; L84-F101 HydrophobicContact CD1-CZ 3.44Å; L84-F101 VanDerWaalsContact CD1-CZ 3.44Å; F99-F101 HydrophobicContact CB-CD1 4.46Å; F99-F101 HydrophobicContact CD2-CD1 4.12Å; F99-F101 AromaticContact CD2-CE1 3.76Å; F99-F101 HydrophobicContact CD2-CE1 3.76Å; F99-F101 HydrophobicContact CE2-CE1 4.41Å; F101-V103 HydrophobicContact CD2-CG2 3.85Å; F101-V103 HydrophobicContact CE2-CG2 3.7Å; F101-F166 HydrophobicContact CZ-CZ 4.25Å; F101-Q178 CarbonylContact O-C 3.57Å; F101-Q178 WeakPolarHBondContact O-CA 3.45Å; F101-Q178 WeakPolarHBondContact O-CG 3.48Å; F101-F179 HydrophobicContact CD2-CD2 4.32Å; F101-F179 HydrophobicContact CE1-CB 4.03Å; F101-F179 HydrophobicContact CE2-CB 4.04Å; F101-F179 AromaticContact CE2-CD2 3.71Å; F101-F179 HydrophobicContact CE2-CD2 3.71Å; F101-F179 HydrophobicContact CE2-CG 4.19Å; F101-F179 HydrophobicContact CZ-CB 3.75Å; F101-F179 HydrophobicContact CZ-CD2 4.17Å; F101-F179 HydrophobicContact CZ-CG 4.18Å; F101-F179 PolarHBondContact N-O 2.91Å; F101-F179 PolarHBondContact O-N 3.24Å
102	T	98.7	Very high	95.2	Very high	15 Å²	15	36.6 Å²	36.6	9%	0.092	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153	173.7	56.5	0	0	0	0	111.2	F62 D63 F66 V176 Y177 Q178	F62-T102 WeakPolarHBondContact CA-O 3.16Å; D63-T102 WeakPolarHBondContact CB-OG1 3.46Å; D63-T102 PolarHBondContact N-O 2.69Å; D63-T102 PolarHBondContact O-N 3.03Å; D63-T102 PolarHBondContact O-OG1 3.04Å; F66-T102 HydrophobicContact CE1-CG2 3.83Å; F66-T102 HydrophobicContact CZ-CG2 4.12Å; T102-V176 HydrophobicContact CG2-CG1 4.02Å; T102-Y177 CarbonylContact C-O 3.05Å; T102-Y177 WeakPolarHBondContact CA-O 3.29Å; T102-Y177 WeakPolarHBondContact CB-O 3.47Å; T102-Q178 HydrophobicContact CG2-CB 4Å; T102-Q178 HydrophobicContact CG2-CG 3.83Å
103	V	98.6	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.2	173.7	-175.3	0	0	0	0	108	L60 I61 F62 F101 T106 F114 F170 Y177 F179	L60-V103 HydrophobicContact CB-CG1 4.1Å; L60-V103 HydrophobicContact CD1-CG1 4.05Å; L60-V103 HydrophobicContact CD2-CG1 3.96Å; L60-V103 HydrophobicContact CG-CG1 4.27Å; I61-V103 WeakPolarHBondContact O-CA 3.5Å; F62-V103 HydrophobicContact CD1-CG2 3.74Å; F62-V103 HydrophobicContact CE1-CG2 3.63Å; F62-V103 HydrophobicContact CZ-CG2 4.36Å; F101-V103 HydrophobicContact CD2-CG2 3.85Å; F101-V103 HydrophobicContact CE2-CG2 3.7Å; V103-T106 HydrophobicContact CG1-CG2 4.37Å; V103-F114 HydrophobicContact CG2-CE2 4.5Å; V103-F114 HydrophobicContact CG2-CZ 4.23Å; V103-F170 HydrophobicContact CB-CZ 4.45Å; V103-F170 HydrophobicContact CG1-CE1 4.31Å; V103-F170 HydrophobicContact CG1-CZ 3.9Å; V103-Y177 PolarHBondContact N-O 2.95Å; V103-Y177 PolarHBondContact O-N 3.29Å; V103-F179 HydrophobicContact CB-CE2 4.25Å; V103-F179 HydrophobicContact CG2-CD2 4.06Å; V103-F179 HydrophobicContact CG2-CE2 3.89Å
104	E	97.8	Very high	95.7	Very high	43 Å²	43	32.4 Å²	32.4	20%	0.201	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-179.1	177.4	71.4	-173.1	-177.3	0	0	111.4	K43 I61 T106 V176	K43-E104 VanDerWaalsContact CD-OE1 3.29Å; K43-E104 WeakPolarHBondContact CD-OE1 3.4Å; K43-E104 IonicContact NZ-OE1 2.78Å; K43-E104 PolarHBondContact NZ-OE1 3.1Å; K43-E104 IonicContact NZ-OE2 2.77Å; K43-E104 PolarHBondContact NZ-OE2 3.5Å; I61-E104 HydrophobicContact CB-CG 3.71Å; I61-E104 HydrophobicContact CD1-CG 4.42Å; I61-E104 HydrophobicContact CG2-CG 4.04Å; I61-E104 PolarHBondContact N-O 3.2Å; I61-E104 PolarHBondContact O-N 2.97Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 3.05Å; E104-V176 HydrophobicContact CB-CG1 4.38Å; E104-V176 HydrophobicContact CB-CG2 3.99Å
105	N	97.1	Very high	96	Very high	30 Å²	30	29 Å²	29	16%	0.16	13%	0.127	C	C	.	.	S	Bend	trans	58.2	39.6	-174.8	-168.2	51.6	0	0	0	112.4	Q56 G58 H59 I61	Q56-N105 PolarHBondContact O-ND2 2.91Å; G58-N105 WeakPolarHBondContact CA-O 3.44Å; G58-N105 PolarHBondContact N-O 2.74Å; H59-N105 PolarHBondContact O-ND2 3.11Å; I61-N105 HydrophobicContact CD1-CB 3.82Å; I61-N105 HydrophobicContact CG1-CB 4.11Å
106	T	96	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.119	C	C	.	.			trans	-74.7	163.3	178.4	62	0	0	0	0	110.7	K57 L60 V103 E104 F170 C172 Y177	K57-T106 WeakPolarHBondContact CD-O 3.45Å; L60-T106 HydrophobicContact CD2-CG2 3.86Å; V103-T106 HydrophobicContact CG1-CG2 4.37Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 3.05Å; T106-F170 HydrophobicContact CG2-CB 4.09Å; T106-F170 HydrophobicContact CG2-CD1 3.42Å; T106-F170 VanDerWaalsContact CG2-CD1 3.42Å; T106-F170 HydrophobicContact CG2-CD2 3.89Å; T106-F170 HydrophobicContact CG2-CE1 3.68Å; T106-F170 HydrophobicContact CG2-CE2 4.14Å; T106-F170 HydrophobicContact CG2-CG 3.52Å; T106-F170 HydrophobicContact CG2-CZ 4.04Å; T106-C172 PolarHBondContact OG1-O 3.35Å; T106-Y177 HydrophobicContact CG2-CD2 4.1Å; T106-Y177 HydrophobicContact CG2-CE2 4.23Å
107	K	94.3	Very high	96.1	Very high	116 Å²	116	26.2 Å²	26.2	50%	0.504	12%	0.116	S	C	.	.			trans	-113.9	147.2	169.4	-177.6	-179.9	179.6	-177.3	0	109.9	K57 E109 Q110 E173	K57-K107 HydrophobicContact CB-CB 4.46Å; K107-E109 PolarHBondContact O-N 3.34Å; K107-Q110 HydrophobicContact CB-CB 4.07Å; K107-Q110 WeakPolarHBondContact O-CB 3.43Å; K107-Q110 PolarHBondContact O-N 3.13Å; K107-E173 WeakPolarHBondContact CA-OE1 3.49Å; K107-E173 WeakPolarHBondContact CG-OE1 3.33Å
108	Y	93.6	Very high	96	Very high	117 Å²	117	26.8 Å²	26.8	46%	0.459	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	134.4	177.6	-178.2	-100.8	0	0	0	109.9	Q110 D171 E173	Y108-Q110 PolarHBondContact O-N 3.44Å; Y108-Q110 VanDerWaalsContact O-N 3.13Å; Y108-D171 VanDerWaalsContact CD2-O 3.32Å; Y108-D171 WeakPolarHBondContact CD2-O 3.3Å; Y108-D171 WeakPolarHBondContact CE2-O 3.36Å; Y108-E173 PolarHBondContact N-OE1 3.35Å
109	E	90.8	Very high	95.6	Very high	107 Å²	107	27.2 Å²	27.2	50%	0.5	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	16.3	-174.3	-72.6	176.4	-176.5	0	0	114.7	K107 R111 F170 C552	K107-E109 PolarHBondContact O-N 3.34Å; E109-R111 PolarHBondContact O-N 3.44Å; E109-F170 PolarHBondContact N-O 3.33Å; E109-C552 WeakPolarHBondContact CG-SG 3.44Å
110	Q	93.6	Very high	95.1	Very high	28 Å²	28	28.3 Å²	28.3	13%	0.131	13%	0.129	C	C	.	.			trans	-68.9	117	172.3	-175.9	-178.2	16.2	0	0	109.9	G58 K107 Y108 V112 S169 F170	G58-Q110 PolarHBondContact O-NE2 2.9Å; K107-Q110 HydrophobicContact CB-CB 4.07Å; K107-Q110 WeakPolarHBondContact O-CB 3.43Å; K107-Q110 PolarHBondContact O-N 3.13Å; Y108-Q110 PolarHBondContact O-N 3.44Å; Y108-Q110 VanDerWaalsContact O-N 3.13Å; Q110-V112 HydrophobicContact CG-CG1 4.31Å; Q110-S169 CarbonylContact O-C 3.5Å; Q110-S169 VanDerWaalsContact O-CA 3.32Å; Q110-S169 WeakPolarHBondContact O-CA 3.3Å; Q110-F170 HydrophobicContact CB-CD2 4.19Å; Q110-F170 HydrophobicContact CG-CD2 4.37Å; Q110-F170 WeakPolarHBondContact O-CD2 3.42Å; Q110-F170 PolarHBondContact O-N 2.93Å
111	R	94.8	Very high	94.4	Very high	72 Å²	72	29.9 Å²	29.9	27%	0.272	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.1	177.8	-64.1	175.2	-67.3	175.9	0.8	110.1	Y80 E109 F168 L547 N548 L550	Y80-R111 WeakPolarHBondContact CD1-O 3.38Å; E109-R111 PolarHBondContact O-N 3.44Å; R111-F168 CarbonylContact C-O 3.36Å; R111-F168 WeakPolarHBondContact CA-O 3.5Å; R111-L547 HydrophobicContact CB-CD1 3.77Å; R111-L547 HydrophobicContact CB-CG 4.41Å; R111-L547 WeakPolarHBondContact CD-O 3.28Å; R111-L547 PolarHBondContact NH1-O 3Å; R111-N548 PolarHBondContact NH1-O 2.98Å; R111-L550 HydrophobicContact CG-CB 4.5Å
112	V	96.1	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	179.6	-64	0	0	0	0	112	L60 Y80 Y82 Q110 F114 A167 F168 F170	L60-V112 HydrophobicContact CD1-CG1 3.93Å; Y80-V112 CarbonylContact O-C 3.6Å; Y80-V112 VanDerWaalsContact O-CA 3.27Å; Y80-V112 WeakPolarHBondContact O-CA 3.39Å; Y82-V112 HydrophobicContact CD2-CB 4.43Å; Y82-V112 HydrophobicContact CD2-CG1 4.33Å; Y82-V112 HydrophobicContact CE2-CB 4.34Å; Y82-V112 HydrophobicContact CE2-CG1 3.77Å; Q110-V112 HydrophobicContact CG-CG1 4.31Å; V112-F114 HydrophobicContact CB-CE1 4.34Å; V112-F114 HydrophobicContact CB-CZ 4.31Å; V112-F114 HydrophobicContact CG2-CD2 4.17Å; V112-F114 HydrophobicContact CG2-CE1 4.06Å; V112-F114 HydrophobicContact CG2-CE2 3.65Å; V112-F114 HydrophobicContact CG2-CZ 3.59Å; V112-A167 CarbonylContact O-C 3.38Å; V112-A167 WeakPolarHBondContact O-CA 3.23Å; V112-F168 HydrophobicContact CG2-CB 4.13Å; V112-F168 PolarHBondContact N-O 3.15Å; V112-F168 PolarHBondContact O-N 2.91Å; V112-F170 HydrophobicContact CB-CE2 4.44Å; V112-F170 HydrophobicContact CG1-CE2 3.99Å; V112-F170 HydrophobicContact CG2-CD2 4.43Å; V112-F170 HydrophobicContact CG2-CE2 3.56Å; V112-F170 HydrophobicContact CG2-CZ 4.04Å
113	I	96.7	Very high	92.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	166.3	-62.5	176	0	0	0	106.9	Y80 E81 Y82 N115 L543 L547	Y80-I113 PolarHBondContact O-N 3.09Å; E81-I113 HydrophobicContact CG-CB 4.42Å; Y82-I113 PolarHBondContact N-O 3.37Å; I113-N115 VanDerWaalsContact CG2-OD1 3.28Å; I113-N115 WeakPolarHBondContact CG2-OD1 3.48Å; I113-L543 HydrophobicContact CD1-CD1 4.2Å; I113-L543 HydrophobicContact CD1-CD2 4.07Å; I113-L543 HydrophobicContact CD1-CG 3.85Å; I113-L543 HydrophobicContact CG1-CD1 4.3Å; I113-L543 HydrophobicContact CG1-CG 4.49Å; I113-L543 HydrophobicContact CG2-CD1 4.31Å; I113-L543 HydrophobicContact CG2-CD2 4.02Å; I113-L547 HydrophobicContact CD1-CB 4.41Å; I113-L547 HydrophobicContact CD1-CD2 3.81Å; I113-L547 HydrophobicContact CD1-CG 4.46Å; I113-L547 HydrophobicContact CG1-CD1 3.87Å; I113-L547 HydrophobicContact CG1-CD2 4.01Å; I113-L547 HydrophobicContact CG1-CG 4.35Å
114	F	97.8	Very high	92	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.9	170.5	-68.5	-42.7	0	0	0	110	L60 F62 Y82 L84 V103 V112 S165 F166 F170 F179	L60-F114 HydrophobicContact CD1-CE1 4.3Å; L60-F114 HydrophobicContact CD1-CZ 4.09Å; F62-F114 HydrophobicContact CE1-CD1 4.37Å; F62-F114 AromaticContact CE1-CE1 3.74Å; F62-F114 HydrophobicContact CE1-CE1 3.74Å; F62-F114 HydrophobicContact CE1-CZ 4.05Å; F62-F114 HydrophobicContact CZ-CD1 4.46Å; F62-F114 AromaticContact CZ-CE1 3.59Å; F62-F114 HydrophobicContact CZ-CE1 3.59Å; F62-F114 HydrophobicContact CZ-CZ 4.06Å; Y82-F114 HydrophobicContact CD2-CD1 4.24Å; Y82-F114 AromaticContact CD2-CE1 3.82Å; Y82-F114 HydrophobicContact CD2-CE1 3.82Å; Y82-F114 HydrophobicContact CG-CD1 4.33Å; Y82-F114 HydrophobicContact CG-CE1 4.05Å; L84-F114 HydrophobicContact CD1-CB 3.77Å; L84-F114 HydrophobicContact CD1-CD1 4.11Å; L84-F114 HydrophobicContact CD1-CG 4.02Å; L84-F114 HydrophobicContact CD2-CD1 4.34Å; L84-F114 HydrophobicContact CG-CB 4.37Å; L84-F114 HydrophobicContact CG-CD1 4.42Å; V103-F114 HydrophobicContact CG2-CE2 4.5Å; V103-F114 HydrophobicContact CG2-CZ 4.23Å; V112-F114 HydrophobicContact CB-CE1 4.34Å; V112-F114 HydrophobicContact CB-CZ 4.31Å; V112-F114 HydrophobicContact CG2-CD2 4.17Å; V112-F114 HydrophobicContact CG2-CE1 4.06Å; V112-F114 HydrophobicContact CG2-CE2 3.65Å; V112-F114 HydrophobicContact CG2-CZ 3.59Å; F114-S165 CarbonylContact O-C 3.59Å; F114-S165 VanDerWaalsContact O-CA 3.3Å; F114-S165 WeakPolarHBondContact O-CA 3.36Å; F114-F166 HydrophobicContact CB-CD1 4.13Å; F114-F166 HydrophobicContact CB-CD2 4.3Å; F114-F166 HydrophobicContact CB-CE1 3.67Å; F114-F166 HydrophobicContact CB-CE2 3.91Å; F114-F166 HydrophobicContact CB-CG 4.43Å; F114-F166 HydrophobicContact CB-CZ 3.56Å; F114-F166 HydrophobicContact CD2-CD2 4.25Å; F114-F166 AromaticContact CD2-CE2 3.48Å; F114-F166 HydrophobicContact CD2-CE2 3.48Å; F114-F166 VanDerWaalsContact CD2-CE2 3.48Å; F114-F166 AromaticContact CD2-CZ 3.71Å; F114-F166 HydrophobicContact CD2-CZ 3.71Å; F114-F166 HydrophobicContact CE2-CE2 4.5Å; F114-F166 HydrophobicContact CG-CE2 4.17Å; F114-F166 HydrophobicContact CG-CZ 4.05Å; F114-F166 PolarHBondContact N-O 3.37Å; F114-F166 PolarHBondContact O-N 3.27Å; F114-F170 HydrophobicContact CE2-CZ 4.07Å; F114-F170 HydrophobicContact CZ-CE2 4.46Å; F114-F170 AromaticContact CZ-CZ 3.98Å; F114-F170 HydrophobicContact CZ-CZ 3.98Å; F114-F179 HydrophobicContact CE2-CE2 4.15Å; F114-F179 HydrophobicContact CE2-CZ 4.21Å
115	N	95.6	Very high	91.7	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.2	178.8	-61.2	-41.4	0	0	0	110.3	E81 Y82 N83 L84 I113 V117 V163 M164 S165	E81-N115 WeakPolarHBondContact CG-ND2 3.31Å; E81-N115 PolarHBondContact OE1-ND2 3.41Å; Y82-N115 PolarHBondContact O-N 3.43Å; N83-N115 VanDerWaalsContact OD1-CB 3.27Å; N83-N115 WeakPolarHBondContact OD1-CB 3.42Å; N83-N115 PolarHBondContact OD1-ND2 3.3Å; L84-N115 PolarHBondContact N-O 2.76Å; I113-N115 VanDerWaalsContact CG2-OD1 3.28Å; I113-N115 WeakPolarHBondContact CG2-OD1 3.48Å; N115-V117 HydrophobicContact CB-CG1 3.9Å; N115-V117 PolarHBondContact O-N 3.36Å; N115-V163 HydrophobicContact CB-CG1 4.14Å; N115-M164 CarbonylContact C-O 3.52Å; N115-M164 WeakPolarHBondContact CA-O 3.45Å; N115-S165 VanDerWaalsContact OD1-CB 3.23Å; N115-S165 WeakPolarHBondContact OD1-CB 3.42Å; N115-S165 PolarHBondContact OD1-OG 3.31Å
116	I	95.4	Very high	91.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	104.2	167	-53.5	-160.6	0	0	0	108.7	L84 I86 F99 F119 V163 M164 F166	L84-I116 HydrophobicContact CB-CG1 4.42Å; L84-I116 WeakPolarHBondContact O-CA 3.46Å; I86-I116 HydrophobicContact CD1-CG2 3.56Å; I86-I116 HydrophobicContact CG1-CG2 3.79Å; F99-I116 HydrophobicContact CB-CD1 4.46Å; F99-I116 HydrophobicContact CD1-CD1 3.34Å; F99-I116 HydrophobicContact CD2-CD1 4.07Å; F99-I116 HydrophobicContact CE1-CD1 3.39Å; F99-I116 HydrophobicContact CE2-CD1 4.1Å; F99-I116 HydrophobicContact CG-CD1 3.69Å; F99-I116 HydrophobicContact CZ-CD1 3.77Å; I116-F119 HydrophobicContact CG2-CB 4.27Å; I116-F119 HydrophobicContact CG2-CD2 4.21Å; I116-V163 WeakPolarHBondContact O-CA 3.23Å; I116-M164 HydrophobicContact CB-CB 4.31Å; I116-M164 HydrophobicContact CB-CE 4.35Å; I116-M164 HydrophobicContact CD1-CE 3.63Å; I116-M164 HydrophobicContact CG1-CE 4.16Å; I116-M164 PolarHBondContact N-O 3.06Å; I116-M164 PolarHBondContact O-N 2.79Å; I116-M164 VanDerWaalsContact O-N 3.1Å; I116-F166 HydrophobicContact CG1-CE1 4.47Å
117	V	93.3	Very high	90.9	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	17%	0.174	C	C	.	.			trans	-96.2	-16.5	-165.8	-63.4	0	0	0	0	115.1	N83 L84 F85 N115 V163	N83-V117 HydrophobicContact CB-CG1 4.03Å; N83-V117 HydrophobicContact CB-CG2 4.5Å; L84-V117 PolarHBondContact O-N 3.06Å; L84-V117 VanDerWaalsContact O-N 3.11Å; F85-V117 HydrophobicContact CD1-CG2 3.67Å; F85-V117 HydrophobicContact CD2-CG2 4Å; F85-V117 HydrophobicContact CE1-CG2 3.38Å; F85-V117 HydrophobicContact CE2-CG2 3.71Å; F85-V117 HydrophobicContact CG-CG2 3.97Å; F85-V117 HydrophobicContact CZ-CG2 3.4Å; F85-V117 VanDerWaalsContact CZ-CG2 3.4Å; N115-V117 HydrophobicContact CB-CG1 3.9Å; N115-V117 PolarHBondContact O-N 3.36Å; V117-V163 HydrophobicContact CG1-CG1 4.28Å
118	N	92.1	Very high	90.6	Very high	14 Å²	14	38.8 Å²	38.8	8%	0.075	17%	0.174	C	C	.	.			trans	-117.1	30.3	-175.6	70.6	-14.3	0	0	0	113	I33 F85 I86 R96 S120	I33-N118 HydrophobicContact CD1-CB 4.43Å; F85-N118 WeakPolarHBondContact CA-OD1 3.33Å; F85-N118 HydrophobicContact CD1-CB 4.21Å; I86-N118 PolarHBondContact N-ND2 2.89Å; I86-N118 PolarHBondContact N-OD1 3.41Å; I86-N118 PolarHBondContact O-ND2 2.92Å; R96-N118 WeakPolarHBondContact CB-O 3.44Å; R96-N118 WeakPolarHBondContact CD-ND2 3.45Å; R96-N118 WeakPolarHBondContact CD-O 3.3Å; N118-S120 PolarHBondContact O-N 2.98Å
119	F	89.5	Confident	90.4	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.053	16%	0.155	C	C	.	.			trans	-65.5	117.6	-179.4	-161.1	-100.2	0	0	0	111	I86 V97 I116 K121 Y126 Y152 M164 Y181	I86-F119 HydrophobicContact CD1-CD2 3.83Å; I86-F119 HydrophobicContact CD1-CE2 4.37Å; V97-F119 HydrophobicContact CB-CE2 4.47Å; V97-F119 HydrophobicContact CG1-CE2 4.06Å; V97-F119 HydrophobicContact CG1-CZ 3.84Å; V97-F119 WeakPolarHBondContact O-CE2 3.31Å; I116-F119 HydrophobicContact CG2-CB 4.27Å; I116-F119 HydrophobicContact CG2-CD2 4.21Å; F119-K121 HydrophobicContact CD1-CB 4.13Å; F119-K121 WeakPolarHBondContact CD1-O 3.32Å; F119-K121 HydrophobicContact CE1-CB 3.59Å; F119-K121 HydrophobicContact CZ-CB 4.34Å; F119-Y126 HydrophobicContact CE1-CD2 4.32Å; F119-Y126 HydrophobicContact CE1-CE2 4.5Å; F119-Y126 HydrophobicContact CE2-CE2 4.12Å; F119-Y126 HydrophobicContact CZ-CD2 4.05Å; F119-Y126 AromaticContact CZ-CE2 3.79Å; F119-Y126 HydrophobicContact CZ-CE2 3.79Å; F119-Y152 HydrophobicContact CD1-CE2 4.04Å; F119-Y152 VanDerWaalsContact CD1-OH 3.3Å; F119-Y152 WeakPolarHBondContact CD1-OH 3.36Å; F119-Y152 HydrophobicContact CE1-CE2 4.45Å; F119-M164 HydrophobicContact CE2-CE 4.48Å; F119-Y181 HydrophobicContact CE2-CD2 4.3Å; F119-Y181 HydrophobicContact CE2-CE2 4.1Å; F119-Y181 AromaticContact CZ-CE2 3.86Å; F119-Y181 HydrophobicContact CZ-CE2 3.86Å
120	S	88.7	Confident	90.6	Very high	23 Å²	23	28.5 Å²	28.5	16%	0.161	13%	0.132	C	C	.	.			trans	-78.1	-20.3	-171.6	58.6	0	0	0	0	114.5	R94 R96 V97 N118 T122	R94-S120 WeakPolarHBondContact O-CB 3.28Å; R96-S120 VanDerWaalsContact C-OG 3.23Å; R96-S120 WeakPolarHBondContact CA-OG 3.49Å; R96-S120 PolarHBondContact N-OG 3.31Å; R96-S120 PolarHBondContact O-N 3.42Å; R96-S120 PolarHBondContact O-OG 2.88Å; V97-S120 VanDerWaalsContact CG2-OG 3.31Å; V97-S120 WeakPolarHBondContact CG2-OG 3.42Å; N118-S120 PolarHBondContact O-N 2.98Å; S120-T122 PolarHBondContact O-N 2.84Å
121	K	82.8	Confident	90.6	Very high	35 Å²	35	27.4 Å²	27.4	15%	0.152	13%	0.127	C	C	.	.			trans	-87.5	110.7	-176.9	-91.4	-166.8	172.7	-172.1	0	112	V97 F119 Y152 Y296 S348	V97-K121 HydrophobicContact CG1-CD 4.23Å; V97-K121 HydrophobicContact CG2-CB 4.35Å; V97-K121 HydrophobicContact CG2-CD 4.09Å; V97-K121 HydrophobicContact CG2-CG 3.79Å; F119-K121 HydrophobicContact CD1-CB 4.13Å; F119-K121 WeakPolarHBondContact CD1-O 3.32Å; F119-K121 HydrophobicContact CE1-CB 3.59Å; F119-K121 HydrophobicContact CZ-CB 4.34Å; K121-Y152 PolarHBondContact O-OH 3.15Å; K121-Y296 PolarHBondContact NZ-OH 3.26Å; K121-S348 PolarHBondContact NZ-OG 3.03Å
122	T	78	Confident	90.7	Very high	42 Å²	42	24 Å²	24	26%	0.258	11%	0.114	S	C	.	.	S	Bend	trans	-67.6	-51.4	175.8	52.7	0	0	0	0	112.1	G27 S120 R127 Y162	G27-T122 WeakPolarHBondContact O-CG2 3.41Å; S120-T122 PolarHBondContact O-N 2.84Å; T122-R127 VanDerWaalsContact O-CZ 3.31Å; T122-R127 PolarHBondContact O-NE 3.5Å; T122-R127 PolarHBondContact O-NH2 3.22Å; T122-Y162 HydrophobicContact CG2-CD2 4.24Å; T122-Y162 HydrophobicContact CG2-CE2 4.42Å
123	K	81.5	Confident	90.8	Very high	110 Å²	110	24 Å²	24	48%	0.478	11%	0.114	S	C	.	.	S	Bend	trans	-87.6	121.9	173.8	-64.8	179.9	-179.2	177	0	109.5	T349	K123-T349 HydrophobicContact CB-CG2 3.96Å
124	S	86.9	Confident	90.9	Very high	7 Å²	7	23.8 Å²	23.8	5%	0.049	11%	0.113	C	C	.	.			trans	-150.7	147.7	180	177.6	0	0	0	0	110.3	Y126 R127	S124-Y126 PolarHBondContact O-N 2.84Å; S124-Y126 VanDerWaalsContact O-N 3.09Å; S124-Y126 WeakPolarHBondContact OG-CD2 3.32Å; S124-Y126 PolarHBondContact OG-N 2.95Å; S124-R127 WeakPolarHBondContact O-CB 3.4Å; S124-R127 PolarHBondContact O-N 3.25Å
125	L	91.6	Very high	90.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-58.8	-12.3	169	-72.9	161.4	0	0	0	113.1	R127 E128 G129 M130 S348 M351 F421	L125-R127 PolarHBondContact O-N 3.27Å; L125-E128 HydrophobicContact CD2-CB 4.4Å; L125-E128 HydrophobicContact CD2-CG 4.33Å; L125-E128 CarbonylContact O-C 3.5Å; L125-E128 WeakPolarHBondContact O-CA 3.03Å; L125-E128 PolarHBondContact O-N 3.31Å; L125-G129 PolarHBondContact O-N 3.4Å; L125-M130 VanDerWaalsContact C-CB 3.46Å; L125-M130 HydrophobicContact CB-CB 3.89Å; L125-M130 HydrophobicContact CB-SD 3.91Å; L125-M130 VanDerWaalsContact O-CB 3.25Å; L125-M130 WeakPolarHBondContact O-CB 3.35Å; L125-M130 PolarHBondContact O-N 3.03Å; L125-S348 WeakPolarHBondContact CG-O 3.4Å; L125-S348 PolarHBondContact N-O 3.49Å; L125-M351 HydrophobicContact CD2-CG 3.93Å; L125-F421 HydrophobicContact CD1-CB 4.36Å
126	Y	89.4	Confident	90.9	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.043	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-58.9	-23.8	167.3	-71.3	-53.4	0	0	0	113.1	F119 S124 E128 M130 P132 M164 Y181	F119-Y126 HydrophobicContact CE1-CD2 4.32Å; F119-Y126 HydrophobicContact CE1-CE2 4.5Å; F119-Y126 HydrophobicContact CE2-CE2 4.12Å; F119-Y126 HydrophobicContact CZ-CD2 4.05Å; F119-Y126 AromaticContact CZ-CE2 3.79Å; F119-Y126 HydrophobicContact CZ-CE2 3.79Å; S124-Y126 PolarHBondContact O-N 2.84Å; S124-Y126 VanDerWaalsContact O-N 3.09Å; S124-Y126 WeakPolarHBondContact OG-CD2 3.32Å; S124-Y126 PolarHBondContact OG-N 2.95Å; Y126-E128 VanDerWaalsContact C-N 3.3Å; Y126-M130 HydrophobicContact CD1-CB 3.97Å; Y126-M130 HydrophobicContact CD1-CG 4.11Å; Y126-M130 VanDerWaalsContact CD1-O 3.23Å; Y126-M130 WeakPolarHBondContact CD1-O 3.34Å; Y126-M130 HydrophobicContact CE1-CB 4.31Å; Y126-M130 HydrophobicContact CE1-CE 3.99Å; Y126-M130 HydrophobicContact CE1-CG 3.94Å; Y126-M130 HydrophobicContact CE1-SD 4.35Å; Y126-P132 HydrophobicContact CE1-CG 4.35Å; Y126-M164 HydrophobicContact CD1-SD 3.55Å; Y126-M164 VanDerWaalsContact CD1-SD 3.55Å; Y126-M164 HydrophobicContact CD2-CE 4.16Å; Y126-M164 HydrophobicContact CD2-SD 3.64Å; Y126-M164 HydrophobicContact CE1-CE 4.32Å; Y126-M164 HydrophobicContact CE1-SD 3.4Å; Y126-M164 WeakPolarHBondContact CE1-SD 3.27Å; Y126-M164 HydrophobicContact CE2-CE 3.53Å; Y126-M164 HydrophobicContact CE2-SD 3.43Å; Y126-M164 WeakPolarHBondContact CE2-SD 3.49Å; Y126-M164 HydrophobicContact CG-SD 3.73Å; Y126-Y181 AromaticContact CE2-CD2 3.96Å; Y126-Y181 HydrophobicContact CE2-CD2 3.96Å; Y126-Y181 AromaticContact CE2-CE2 3.5Å; Y126-Y181 HydrophobicContact CE2-CE2 3.5Å; Y126-Y181 VanDerWaalsContact CE2-CE2 3.5Å; Y126-Y181 AromaticContact CZ-CD2 3.96Å; Y126-Y181 AromaticContact CZ-CE2 3.8Å; Y126-Y181 WeakPolarHBondContact OH-CD2 3.5Å; Y126-Y181 WeakPolarHBondContact OH-CE2 3.47Å
127	R	86.5	Confident	90.9	Very high	111 Å²	111	29.6 Å²	29.6	42%	0.419	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-72.5	-25.7	171	-64	-177.7	-174.4	-166.1	7.8	113.1	T122 S124 L125 Y152 Y162	T122-R127 VanDerWaalsContact O-CZ 3.31Å; T122-R127 PolarHBondContact O-NE 3.5Å; T122-R127 PolarHBondContact O-NH2 3.22Å; S124-R127 WeakPolarHBondContact O-CB 3.4Å; S124-R127 PolarHBondContact O-N 3.25Å; L125-R127 PolarHBondContact O-N 3.27Å; R127-Y152 HydrophobicContact CG-CD1 3.61Å; R127-Y152 HydrophobicContact CG-CE1 3.99Å; R127-Y162 VanDerWaalsContact NH2-CE2 3.3Å; R127-Y162 PolarHBondContact NH2-OH 3.07Å
128	E	88.6	Confident	91	Very high	108 Å²	108	32.8 Å²	32.8	51%	0.505	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-98.5	6.9	-176	-52.3	-52.9	140.6	0	0	112.2	L125 Y126 Y422	L125-E128 HydrophobicContact CD2-CB 4.4Å; L125-E128 HydrophobicContact CD2-CG 4.33Å; L125-E128 CarbonylContact O-C 3.5Å; L125-E128 WeakPolarHBondContact O-CA 3.03Å; L125-E128 PolarHBondContact O-N 3.31Å; Y126-E128 VanDerWaalsContact C-N 3.3Å; E128-Y422 VanDerWaalsContact O-CE1 3.3Å; E128-Y422 WeakPolarHBondContact O-CE1 3.5Å
129	G	89.4	Confident	91.1	Very high	7 Å²	7	34.9 Å²	34.9	7%	0.072	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	5.1	176.7	0	0	0	0	0	116	L125 Q147 Y422	L125-G129 PolarHBondContact O-N 3.4Å; G129-Q147 VanDerWaalsContact CA-CD 3.48Å; G129-Y422 PolarHBondContact O-OH 3.16Å
130	M	94.1	Very high	91.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.202	C	C	.	.			trans	-54.6	147.6	168.9	-175.6	177.6	152.5	0	0	110.2	L125 Y126 Y181 F421 Y422	L125-M130 VanDerWaalsContact C-CB 3.46Å; L125-M130 HydrophobicContact CB-CB 3.89Å; L125-M130 HydrophobicContact CB-SD 3.91Å; L125-M130 VanDerWaalsContact O-CB 3.25Å; L125-M130 WeakPolarHBondContact O-CB 3.35Å; L125-M130 PolarHBondContact O-N 3.03Å; Y126-M130 HydrophobicContact CD1-CB 3.97Å; Y126-M130 HydrophobicContact CD1-CG 4.11Å; Y126-M130 VanDerWaalsContact CD1-O 3.23Å; Y126-M130 WeakPolarHBondContact CD1-O 3.34Å; Y126-M130 HydrophobicContact CE1-CB 4.31Å; Y126-M130 HydrophobicContact CE1-CE 3.99Å; Y126-M130 HydrophobicContact CE1-CG 3.94Å; Y126-M130 HydrophobicContact CE1-SD 4.35Å; M130-Y181 HydrophobicContact CE-CD1 4.31Å; M130-Y181 HydrophobicContact CE-CE1 3.85Å; M130-Y181 HydrophobicContact CE-CE2 4.1Å; M130-Y181 WeakPolarHBondContact CE-O 3.45Å; M130-F421 HydrophobicContact CE-CB 4.06Å; M130-F421 HydrophobicContact SD-CB 3.88Å; M130-Y422 HydrophobicContact CB-CD1 4.12Å; M130-Y422 HydrophobicContact CB-CD2 3.87Å; M130-Y422 HydrophobicContact CB-CE2 4.43Å; M130-Y422 HydrophobicContact CB-CG 3.69Å; M130-Y422 HydrophobicContact CG-CD2 4.11Å; M130-Y422 HydrophobicContact CG-CG 4.12Å
131	S	94.9	Very high	91.4	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	22%	0.218	C	C	.	.			trans	-134.7	152.8	174.3	58.3	0	0	0	0	111.4	R144 I145	S131-R144 PolarHBondContact O-NH1 2.75Å; S131-I145 WeakPolarHBondContact CB-O 3.26Å; S131-I145 PolarHBondContact OG-O 3.47Å
132	P	96.9	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.			trans	-58.7	162.6	169.2	-19.5	32.6	0	0	0	111.6	F99 Y126 I145 M164 F166 A180	F99-P132 HydrophobicContact CE2-CB 4.07Å; F99-P132 HydrophobicContact CE2-CG 4.47Å; F99-P132 HydrophobicContact CZ-CB 3.85Å; F99-P132 HydrophobicContact CZ-CG 3.89Å; Y126-P132 HydrophobicContact CE1-CG 4.35Å; P132-I145 HydrophobicContact CB-CD1 4.1Å; P132-I145 HydrophobicContact CG-CD1 4.45Å; P132-I145 PolarHBondContact O-N 3.1Å; P132-M164 HydrophobicContact CG-SD 4.18Å; P132-F166 HydrophobicContact CG-CD1 4.3Å; P132-A180 WeakPolarHBondContact CA-O 3.46Å; P132-A180 WeakPolarHBondContact CB-O 3.43Å
133	V	97.5	Very high	92.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.8	173.2	-63.9	0	0	0	0	111	W142 S143 R144 F179 A180 Y183	V133-W142 HydrophobicContact CB-CE3 3.86Å; V133-W142 HydrophobicContact CB-CZ3 4.46Å; V133-W142 HydrophobicContact CG2-CD2 4.2Å; V133-W142 HydrophobicContact CG2-CE3 3.55Å; V133-W142 HydrophobicContact CG2-CZ3 3.84Å; V133-S143 CarbonylContact C-O 3.43Å; V133-S143 WeakPolarHBondContact CA-O 3.4Å; V133-S143 WeakPolarHBondContact CB-O 3.3Å; V133-R144 HydrophobicContact CG1-CG 3.77Å; V133-F179 WeakPolarHBondContact O-CA 3.4Å; V133-A180 HydrophobicContact CG2-CB 3.9Å; V133-A180 WeakPolarHBondContact CG2-O 3.36Å; V133-A180 PolarHBondContact N-O 3.08Å; V133-A180 PolarHBondContact O-N 2.91Å; V133-Y183 HydrophobicContact CB-CD1 4.45Å; V133-Y183 HydrophobicContact CB-CE1 4.44Å; V133-Y183 HydrophobicContact CG1-CD1 3.93Å; V133-Y183 HydrophobicContact CG1-CE1 3.66Å
134	V	98	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145	177.7	63.4	0	0	0	0	110.5	S143 I145 F168 Y177 Q178 F179 F559	V134-S143 WeakPolarHBondContact CG1-OG 3.42Å; V134-S143 PolarHBondContact N-O 2.93Å; V134-S143 PolarHBondContact O-N 3.1Å; V134-S143 PolarHBondContact O-OG 2.59Å; V134-I145 HydrophobicContact CB-CG1 4.26Å; V134-I145 HydrophobicContact CG1-CG1 4Å; V134-F168 HydrophobicContact CG1-CE2 4.21Å; V134-F168 HydrophobicContact CG2-CE2 4.14Å; V134-F168 HydrophobicContact CG2-CZ 4.02Å; V134-Y177 HydrophobicContact CG2-CD1 4.45Å; V134-Q178 CarbonylContact C-O 3.56Å; V134-Q178 VanDerWaalsContact CA-O 3.25Å; V134-Q178 WeakPolarHBondContact CA-O 3.2Å; V134-F179 HydrophobicContact CB-CD1 3.9Å; V134-F179 HydrophobicContact CB-CE1 3.95Å; V134-F179 HydrophobicContact CG2-CD1 3.74Å; V134-F179 HydrophobicContact CG2-CE1 3.44Å; V134-F179 VanDerWaalsContact CG2-CE1 3.44Å; V134-F179 HydrophobicContact CG2-CG 4.47Å; V134-F179 HydrophobicContact CG2-CZ 3.95Å; V134-F559 HydrophobicContact CG1-CE1 4.43Å; V134-F559 HydrophobicContact CG1-CZ 4.19Å; V134-F559 HydrophobicContact CG2-CZ 4.37Å
135	K	96.8	Very high	93.9	Very high	54 Å²	54	35.3 Å²	35.3	24%	0.235	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	169.4	162.5	69.3	169.7	-179.6	171	0	109.9	P140 W142 Y177 Q178	K135-P140 WeakPolarHBondContact CD-O 3.48Å; K135-W142 HydrophobicContact CB-CD2 4.1Å; K135-W142 HydrophobicContact CB-CE3 3.92Å; K135-W142 HydrophobicContact CB-CZ3 4.31Å; K135-W142 HydrophobicContact CD-CD2 3.97Å; K135-W142 HydrophobicContact CD-CE3 4.34Å; K135-W142 HydrophobicContact CD-CH2 4.19Å; K135-W142 HydrophobicContact CD-CZ2 3.76Å; K135-W142 HydrophobicContact CD-CZ3 4.46Å; K135-W142 VanDerWaalsContact CE-CZ2 3.46Å; K135-W142 HydrophobicContact CG-CD2 3.98Å; K135-W142 HydrophobicContact CG-CE3 3.84Å; K135-W142 HydrophobicContact CG-CH2 3.9Å; K135-W142 HydrophobicContact CG-CZ2 3.98Å; K135-W142 HydrophobicContact CG-CZ3 3.81Å; K135-Y177 CarbonylContact O-C 3.51Å; K135-Y177 WeakPolarHBondContact O-CA 3.48Å; K135-Q178 HydrophobicContact CG-CB 4.02Å; K135-Q178 PolarHBondContact N-O 2.77Å; K135-Q178 PolarHBondContact O-N 3.26Å
136	S	97	Very high	93.9	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	168.5	170.1	72.8	0	0	0	0	111.8	S138 R139 D175 V176	S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.88Å; S136-S138 PolarHBondContact OG-OG 3.3Å; S136-R139 PolarHBondContact N-O 2.78Å; S136-R139 VanDerWaalsContact N-O 3.1Å; S136-R139 CarbonylContact O-C 3.53Å; S136-R139 PolarHBondContact O-N 3.47Å; S136-R139 VanDerWaalsContact O-N 3.13Å; S136-R139 PolarHBondContact OG-N 2.82Å; S136-R139 PolarHBondContact OG-NE 2.99Å; S136-R139 VanDerWaalsContact OG-NE 3.13Å; S136-R139 PolarHBondContact OG-NH2 2.85Å; S136-D175 WeakPolarHBondContact CB-OD2 3.36Å; S136-D175 PolarHBondContact OG-OD2 2.84Å; S136-V176 CarbonylContact C-O 3.54Å; S136-V176 VanDerWaalsContact CA-O 3.25Å; S136-V176 WeakPolarHBondContact CA-O 3.43Å
137	S	96.2	Very high	94	Very high	71 Å²	71	42 Å²	42	50%	0.497	22%	0.224	S	C	.	.	S	Bend	trans	-57.4	-39.2	177.3	34.3	0	0	0	0	113.4	D175 V176	S137-D175 VanDerWaalsContact OG-CA 3.23Å; S137-D175 WeakPolarHBondContact OG-CA 3.44Å; S137-D175 PolarHBondContact OG-OD1 3.32Å; S137-V176 PolarHBondContact N-O 3.02Å; S137-V176 PolarHBondContact OG-N 2.89Å
138	S	95.2	Very high	94.2	Very high	72 Å²	72	43.1 Å²	43.1	50%	0.503	23%	0.232	S	C	.	.	S	Bend	trans	-78.5	-21.4	175.5	71.3	0	0	0	0	113.9	S136 D175	S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.88Å; S136-S138 PolarHBondContact OG-OG 3.3Å; S138-D175 WeakPolarHBondContact CB-OD1 3.48Å; S138-D175 PolarHBondContact N-OD1 2.69Å; S138-D175 VanDerWaalsContact OG-CG 3.29Å; S138-D175 PolarHBondContact OG-OD1 3.29Å; S138-D175 PolarHBondContact OG-OD2 3.12Å
139	R	94.5	Very high	94.4	Very high	58 Å²	58	38.1 Å²	38.1	22%	0.219	21%	0.209	C	C	.	.			trans	-126.3	81.3	-178.7	-66.8	164.5	-67.2	-143.5	5.2	109.6	S136 S141 D171 D175 Y177 F559	S136-R139 PolarHBondContact N-O 2.78Å; S136-R139 VanDerWaalsContact N-O 3.1Å; S136-R139 CarbonylContact O-C 3.53Å; S136-R139 PolarHBondContact O-N 3.47Å; S136-R139 VanDerWaalsContact O-N 3.13Å; S136-R139 PolarHBondContact OG-N 2.82Å; S136-R139 PolarHBondContact OG-NE 2.99Å; S136-R139 VanDerWaalsContact OG-NE 3.13Å; S136-R139 PolarHBondContact OG-NH2 2.85Å; R139-S141 PolarHBondContact O-N 2.88Å; R139-D171 IonicContact CZ-OD1 3.6Å; R139-D171 IonicContact CZ-OD2 2.68Å; R139-D171 IonicContact NH1-OD1 2.95Å; R139-D171 IonicContact NH1-OD2 2.82Å; R139-D171 PolarHBondContact NH1-OD2 3.42Å; R139-D171 IonicContact NH2-OD1 3.53Å; R139-D171 PolarHBondContact NH2-OD1 3.34Å; R139-D171 IonicContact NH2-OD2 2.68Å; R139-D171 PolarHBondContact NH2-OD2 2.95Å; R139-D175 IonicContact CZ-OD2 3.39Å; R139-D175 IonicContact NH2-OD2 3.03Å; R139-D175 PolarHBondContact NH2-OD2 2.75Å; R139-Y177 PolarHBondContact NH2-OH 3.29Å; R139-F559 HydrophobicContact CB-CD1 3.95Å; R139-F559 HydrophobicContact CB-CE1 4.12Å; R139-F559 HydrophobicContact CG-CD1 4.48Å
140	P	90.8	Very high	94.6	Very high	87 Å²	87	38.8 Å²	38.8	57%	0.565	21%	0.211	S	C	*	.			trans	-74.2	-10.3	-168.6	28.9	-36	0	0	0	114.4	K135	K135-P140 WeakPolarHBondContact CD-O 3.48Å
141	S	93.8	Very high	94.5	Very high	73 Å²	73	39.3 Å²	39.3	51%	0.51	21%	0.214	S	C	.	.	S	Bend	trans	-79.9	133.7	175.4	-62.5	0	0	0	0	111.3	R139	R139-S141 PolarHBondContact O-N 2.88Å
142	W	96	Very high	94.2	Very high	32 Å²	32	39.8 Å²	39.8	12%	0.121	22%	0.215	C	C	.	.			trans	-71.8	130.7	176.6	-68.3	106.7	0	0	0	112.1	V133 K135 Q178 A180 Y183 P184	V133-W142 HydrophobicContact CB-CE3 3.86Å; V133-W142 HydrophobicContact CB-CZ3 4.46Å; V133-W142 HydrophobicContact CG2-CD2 4.2Å; V133-W142 HydrophobicContact CG2-CE3 3.55Å; V133-W142 HydrophobicContact CG2-CZ3 3.84Å; K135-W142 HydrophobicContact CB-CD2 4.1Å; K135-W142 HydrophobicContact CB-CE3 3.92Å; K135-W142 HydrophobicContact CB-CZ3 4.31Å; K135-W142 HydrophobicContact CD-CD2 3.97Å; K135-W142 HydrophobicContact CD-CE3 4.34Å; K135-W142 HydrophobicContact CD-CH2 4.19Å; K135-W142 HydrophobicContact CD-CZ2 3.76Å; K135-W142 HydrophobicContact CD-CZ3 4.46Å; K135-W142 VanDerWaalsContact CE-CZ2 3.46Å; K135-W142 HydrophobicContact CG-CD2 3.98Å; K135-W142 HydrophobicContact CG-CE3 3.84Å; K135-W142 HydrophobicContact CG-CH2 3.9Å; K135-W142 HydrophobicContact CG-CZ2 3.98Å; K135-W142 HydrophobicContact CG-CZ3 3.81Å; W142-Q178 HydrophobicContact CH2-CB 4.03Å; W142-Q178 HydrophobicContact CH2-CG 3.7Å; W142-Q178 HydrophobicContact CZ3-CB 4.44Å; W142-Q178 HydrophobicContact CZ3-CG 4.45Å; W142-Q178 WeakPolarHBondContact CZ3-O 3.43Å; W142-A180 HydrophobicContact CH2-CB 4.03Å; W142-A180 HydrophobicContact CZ3-CB 4.14Å; W142-Y183 HydrophobicContact CB-CD1 3.46Å; W142-Y183 VanDerWaalsContact CB-CD1 3.46Å; W142-Y183 HydrophobicContact CB-CE1 3.65Å; W142-Y183 AromaticContact CG-CD1 3.92Å; W142-Y183 HydrophobicContact CG-CD1 3.92Å; W142-P184 VanDerWaalsContact CE2-CD 3.42Å; W142-P184 HydrophobicContact CH2-CG 3.81Å; W142-P184 HydrophobicContact CZ2-CB 4.43Å; W142-P184 HydrophobicContact CZ2-CG 3.48Å; W142-P184 VanDerWaalsContact CZ2-CG 3.48Å
143	S	94.4	Very high	93.7	Very high	8 Å²	8	40.5 Å²	40.5	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152.9	168.8	61.6	0	0	0	0	110.6	V133 V134 S558	V133-S143 CarbonylContact C-O 3.43Å; V133-S143 WeakPolarHBondContact CA-O 3.4Å; V133-S143 WeakPolarHBondContact CB-O 3.3Å; V134-S143 WeakPolarHBondContact CG1-OG 3.42Å; V134-S143 PolarHBondContact N-O 2.93Å; V134-S143 PolarHBondContact O-N 3.1Å; V134-S143 PolarHBondContact O-OG 2.59Å; S143-S558 WeakPolarHBondContact CB-O 3.48Å
144	R	94.9	Very high	93	Very high	34 Å²	34	44 Å²	44	13%	0.128	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.4	170.6	-79	-177	-170.3	-88.9	9	109.1	S131 V133 F421 Y422 Y435	S131-R144 PolarHBondContact O-NH1 2.75Å; V133-R144 HydrophobicContact CG1-CG 3.77Å; R144-F421 PolarHBondContact NH2-O 2.63Å; R144-Y422 PolarHBondContact NH2-O 3.23Å; R144-Y435 PolarHBondContact NE-O 2.92Å; R144-Y435 PolarHBondContact NH2-O 2.85Å
145	I	95.3	Very high	92.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-60.1	135.8	171.2	-62.5	179.2	0	0	0	108	S131 P132 V134 Q147 C149 V150 F166 F179	S131-I145 WeakPolarHBondContact CB-O 3.26Å; S131-I145 PolarHBondContact OG-O 3.47Å; P132-I145 HydrophobicContact CB-CD1 4.1Å; P132-I145 HydrophobicContact CG-CD1 4.45Å; P132-I145 PolarHBondContact O-N 3.1Å; V134-I145 HydrophobicContact CB-CG1 4.26Å; V134-I145 HydrophobicContact CG1-CG1 4Å; I145-Q147 PolarHBondContact O-N 2.99Å; I145-C149 HydrophobicContact CG2-CB 3.97Å; I145-V150 HydrophobicContact CB-CG2 4.31Å; I145-V150 HydrophobicContact CG2-CG2 3.89Å; I145-F166 HydrophobicContact CD1-CD2 3.52Å; I145-F166 HydrophobicContact CD1-CE2 3.76Å; I145-F166 HydrophobicContact CD1-CG 4.24Å; I145-F179 HydrophobicContact CD1-CD1 4.07Å; I145-F179 HydrophobicContact CD1-CE1 4.26Å
146	P	92.7	Very high	91	Very high	39 Å²	39	45.2 Å²	45.2	25%	0.253	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-53.6	132.1	178.2	-28	35.5	0	0	0	111.7	K148 C149	P146-K148 HydrophobicContact CB-CG 4.14Å; P146-K148 PolarHBondContact O-N 2.91Å; P146-K148 VanDerWaalsContact O-N 3.11Å; P146-C149 WeakPolarHBondContact O-CA 3.43Å; P146-C149 WeakPolarHBondContact O-CB 3.48Å; P146-C149 PolarHBondContact O-N 2.81Å
147	Q	91	Very high	90	Very high	113 Å²	113	53.1 Å²	53.1	53%	0.528	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-54.2	-36	-176.5	-179.6	-176.7	-8.9	0	0	112.7	G129 I145 C149 V150	G129-Q147 VanDerWaalsContact CA-CD 3.48Å; I145-Q147 PolarHBondContact O-N 2.99Å; Q147-C149 PolarHBondContact O-N 3.06Å; Q147-C149 VanDerWaalsContact O-N 3.08Å; Q147-V150 PolarHBondContact O-N 2.8Å
148	K	89.8	Confident	88.9	Confident	136 Å²	136	52.7 Å²	52.7	59%	0.591	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-60	-17.6	176.5	68	178	-178.2	177.8	0	114.3	P146 F151 T546	P146-K148 HydrophobicContact CB-CG 4.14Å; P146-K148 PolarHBondContact O-N 2.91Å; P146-K148 VanDerWaalsContact O-N 3.11Å; K148-F151 WeakPolarHBondContact O-CZ 3.5Å; K148-T546 PolarHBondContact O-OG1 3.12Å
149	C	93.6	Very high	88.1	Confident	3 Å²	3	58 Å²	58	2%	0.02	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-96.5	-1.3	178.8	-57.7	0	0	0	0	113.2	I145 P146 Q147 F166 A167 T546	I145-C149 HydrophobicContact CG2-CB 3.97Å; P146-C149 WeakPolarHBondContact O-CA 3.43Å; P146-C149 WeakPolarHBondContact O-CB 3.48Å; P146-C149 PolarHBondContact O-N 2.81Å; Q147-C149 PolarHBondContact O-N 3.06Å; Q147-C149 VanDerWaalsContact O-N 3.08Å; C149-F166 CarbonylContact O-C 3.57Å; C149-F166 WeakPolarHBondContact O-CA 3.25Å; C149-A167 PolarHBondContact O-N 3.47Å; C149-T546 HydrophobicContact CB-CG2 4.38Å
150	V	93	Very high	87	Confident	20 Å²	20	61.9 Å²	61.9	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	-175.7	-174	0	0	0	0	110.3	I145 Q147 M164 F166	I145-V150 HydrophobicContact CB-CG2 4.31Å; I145-V150 HydrophobicContact CG2-CG2 3.89Å; Q147-V150 PolarHBondContact O-N 2.8Å; V150-M164 HydrophobicContact CG1-CG 4.21Å; V150-M164 HydrophobicContact CG1-SD 4.29Å; V150-F166 HydrophobicContact CG2-CB 3.99Å
151	F	91.3	Very high	86.6	Confident	13 Å²	13	60.8 Å²	60.8	6%	0.057	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.8	-174.6	-61	-99	0	0	0	109	K148 Y153 M164 S165 Q539 R542 L543	K148-F151 WeakPolarHBondContact O-CZ 3.5Å; F151-Y153 HydrophobicContact CB-CD1 4.18Å; F151-Y153 HydrophobicContact CB-CE1 4.3Å; F151-M164 CarbonylContact O-C 3.55Å; F151-M164 WeakPolarHBondContact O-CA 3.3Å; F151-S165 PolarHBondContact N-O 3.18Å; F151-S165 PolarHBondContact O-N 2.88Å; F151-Q539 HydrophobicContact CD1-CB 4.41Å; F151-Q539 WeakPolarHBondContact CD1-O 3.34Å; F151-Q539 VanDerWaalsContact CD1-OE1 3.26Å; F151-R542 HydrophobicContact CE1-CB 3.58Å; F151-R542 HydrophobicContact CZ-CB 4.12Å; F151-L543 HydrophobicContact CD1-CB 4.21Å; F151-L543 HydrophobicContact CD2-CB 3.95Å; F151-L543 HydrophobicContact CD2-CD1 3.42Å; F151-L543 VanDerWaalsContact CD2-CD1 3.42Å; F151-L543 HydrophobicContact CD2-CG 4.22Å; F151-L543 HydrophobicContact CE1-CB 4.23Å; F151-L543 HydrophobicContact CE2-CB 3.94Å; F151-L543 HydrophobicContact CE2-CD1 3.59Å; F151-L543 HydrophobicContact CE2-CG 4.38Å; F151-L543 HydrophobicContact CG-CB 4.1Å; F151-L543 HydrophobicContact CG-CD1 4.25Å; F151-L543 HydrophobicContact CZ-CB 4.1Å
152	Y	89.5	Confident	86.1	Confident	16 Å²	16	59.1 Å²	59.1	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	108.6	-179.8	-168	-113.4	0	0	0	110.7	F119 K121 R127 Y162 M164	F119-Y152 HydrophobicContact CD1-CE2 4.04Å; F119-Y152 VanDerWaalsContact CD1-OH 3.3Å; F119-Y152 WeakPolarHBondContact CD1-OH 3.36Å; F119-Y152 HydrophobicContact CE1-CE2 4.45Å; K121-Y152 PolarHBondContact O-OH 3.15Å; R127-Y152 HydrophobicContact CG-CD1 3.61Å; R127-Y152 HydrophobicContact CG-CE1 3.99Å; Y152-Y162 AromaticContact CD1-CD1 3.98Å; Y152-Y162 HydrophobicContact CD1-CD1 3.98Å; Y152-Y162 HydrophobicContact CD1-CE1 4.4Å; Y152-Y162 AromaticContact CE1-CD1 3.49Å; Y152-Y162 HydrophobicContact CE1-CD1 3.49Å; Y152-Y162 VanDerWaalsContact CE1-CD1 3.49Å; Y152-Y162 HydrophobicContact CE1-CE1 4.05Å; Y152-Y162 HydrophobicContact CE1-CG 4.02Å; Y152-Y162 HydrophobicContact CE2-CD1 4.37Å; Y152-Y162 AromaticContact CZ-CD1 3.72Å; Y152-Y162 AromaticContact CZ-CG 3.83Å; Y152-Y162 VanDerWaalsContact OH-CB 3.3Å; Y152-Y162 WeakPolarHBondContact OH-CB 3.42Å; Y152-M164 HydrophobicContact CD2-CB 3.72Å; Y152-M164 HydrophobicContact CD2-CG 4.31Å; Y152-M164 HydrophobicContact CE2-CB 4.15Å
153	Y	86.5	Confident	85.8	Confident	14 Å²	14	57.7 Å²	57.7	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	166.6	-167.1	62.2	-82.7	0	0	0	112.1	F151 Y162 V163 S165 L540	F151-Y153 HydrophobicContact CB-CD1 4.18Å; F151-Y153 HydrophobicContact CB-CE1 4.3Å; Y153-Y162 CarbonylContact O-C 3.55Å; Y153-Y162 WeakPolarHBondContact O-CA 3.28Å; Y153-V163 HydrophobicContact CE2-CB 4.5Å; Y153-V163 PolarHBondContact N-O 3Å; Y153-V163 VanDerWaalsContact N-O 3.08Å; Y153-V163 PolarHBondContact O-N 3.13Å; Y153-S165 WeakPolarHBondContact CE1-OG 3.4Å; Y153-S165 PolarHBondContact OH-OG 3.02Å; Y153-S165 VanDerWaalsContact OH-OG 3.1Å; Y153-L540 HydrophobicContact CE2-CD2 4.17Å; Y153-L540 HydrophobicContact CE2-CG 4.31Å
154	K	83.2	Confident	85.8	Confident	74 Å²	74	57.3 Å²	57.3	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.8	173.6	-72.6	-168.4	174.8	-164.1	0	109.2	P156 K161 Y162 N536	K154-P156 WeakPolarHBondContact O-CD 3.1Å; K154-K161 CarbonylContact C-O 3.58Å; K154-K161 WeakPolarHBondContact CA-O 3.48Å; K154-Y162 HydrophobicContact CD-CE2 4.17Å; K154-Y162 WeakPolarHBondContact CE-OH 3.46Å; K154-Y162 HydrophobicContact CG-CD1 4.05Å; K154-Y162 HydrophobicContact CG-CD2 4.18Å; K154-Y162 HydrophobicContact CG-CE1 3.66Å; K154-Y162 HydrophobicContact CG-CE2 3.81Å; K154-Y162 HydrophobicContact CG-CG 4.27Å; K154-Y162 VanDerWaalsContact CG-CZ 3.49Å; K154-N536 VanDerWaalsContact O-CG 3.26Å; K154-N536 PolarHBondContact O-ND2 3.2Å; K154-N536 PolarHBondContact O-OD1 2.92Å
155	S	78.3	Confident	85.7	Confident	9 Å²	9	55.7 Å²	55.7	6%	0.063	26%	0.261	C	S	.	.			trans	-79.6	125	177.8	169.5	0	0	0	0	110.9	E157 Q158 K160 K161 V163	S155-E157 VanDerWaalsContact C-N 3.28Å; S155-E157 PolarHBondContact O-N 2.9Å; S155-E157 PolarHBondContact OG-N 2.84Å; S155-Q158 PolarHBondContact O-N 3.2Å; S155-Q158 PolarHBondContact OG-N 3.4Å; S155-K160 WeakPolarHBondContact O-CA 3.22Å; S155-K160 PolarHBondContact O-N 2.73Å; S155-K161 PolarHBondContact N-O 3.44Å; S155-V163 VanDerWaalsContact CB-CG2 3.48Å
156	P	74.5	Confident	85.7	Confident	71 Å²	71	55.6 Å²	55.6	46%	0.461	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.6	171.6	-22.5	34.1	0	0	0	112.4	K154 Q158 K159 L533	K154-P156 WeakPolarHBondContact O-CD 3.1Å; P156-Q158 VanDerWaalsContact C-N 3.34Å; P156-Q158 PolarHBondContact O-N 2.92Å; P156-K159 PolarHBondContact O-N 2.81Å; P156-L533 HydrophobicContact CG-CD2 4.34Å
157	E	74.6	Confident	85.9	Confident	170 Å²	170	53.8 Å²	53.8	79%	0.794	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.4	-179.8	-61.7	174.4	-177.4	0	0	111.8	S155 K159	S155-E157 VanDerWaalsContact C-N 3.28Å; S155-E157 PolarHBondContact O-N 2.9Å; S155-E157 PolarHBondContact OG-N 2.84Å; E157-K159 PolarHBondContact O-N 2.83Å; E157-K159 VanDerWaalsContact O-N 3.13Å
158	Q	73.8	Confident	86.1	Confident	62 Å²	62	48.7 Å²	48.7	29%	0.29	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	38.5	177.2	-57.7	-62.1	-32	0	0	112.3	S155 P156 K160 K161 V163	S155-Q158 PolarHBondContact O-N 3.2Å; S155-Q158 PolarHBondContact OG-N 3.4Å; P156-Q158 VanDerWaalsContact C-N 3.34Å; P156-Q158 PolarHBondContact O-N 2.92Å; Q158-K160 VanDerWaalsContact C-N 3.25Å; Q158-K160 PolarHBondContact O-N 2.87Å; Q158-K160 VanDerWaalsContact O-N 3.17Å; Q158-K161 HydrophobicContact CB-CB 4.36Å; Q158-K161 WeakPolarHBondContact O-CB 3.26Å; Q158-K161 VanDerWaalsContact O-CG 3.26Å; Q158-K161 WeakPolarHBondContact O-CG 3.45Å; Q158-K161 PolarHBondContact O-N 3.26Å; Q158-V163 HydrophobicContact CB-CG2 4.26Å; Q158-V163 HydrophobicContact CG-CG2 3.92Å
159	K	77.9	Confident	86.4	Confident	184 Å²	184	42.3 Å²	42.3	80%	0.8	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.3	178.7	-57.7	179.4	180	178.4	0	113.4	P156 E157 K161	P156-K159 PolarHBondContact O-N 2.81Å; E157-K159 PolarHBondContact O-N 2.83Å; E157-K159 VanDerWaalsContact O-N 3.13Å; K159-K161 PolarHBondContact O-N 2.84Å
160	K	72.6	Confident	86.5	Confident	138 Å²	138	42.1 Å²	42.1	60%	0.6	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	17.7	-176.5	-53.9	179.2	179.9	174.6	0	114.9	S155 Q158	S155-K160 WeakPolarHBondContact O-CA 3.22Å; S155-K160 PolarHBondContact O-N 2.73Å; Q158-K160 VanDerWaalsContact C-N 3.25Å; Q158-K160 PolarHBondContact O-N 2.87Å; Q158-K160 VanDerWaalsContact O-N 3.17Å
161	K	81.3	Confident	86.4	Confident	65 Å²	65	42.4 Å²	42.4	28%	0.283	20%	0.197	S	C	.	.			trans	-70.7	155.4	169.7	-66.2	-178.1	178.4	-174.3	0	110.6	K154 S155 Q158 K159	K154-K161 CarbonylContact C-O 3.58Å; K154-K161 WeakPolarHBondContact CA-O 3.48Å; S155-K161 PolarHBondContact N-O 3.44Å; Q158-K161 HydrophobicContact CB-CB 4.36Å; Q158-K161 WeakPolarHBondContact O-CB 3.26Å; Q158-K161 VanDerWaalsContact O-CG 3.26Å; Q158-K161 WeakPolarHBondContact O-CG 3.45Å; Q158-K161 PolarHBondContact O-N 3.26Å; K159-K161 PolarHBondContact O-N 2.84Å
162	Y	84.4	Confident	86.5	Confident	37 Å²	37	43.7 Å²	43.7	15%	0.145	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.1	175.6	-81.8	-83.5	0	0	0	110.5	T122 R127 Y152 Y153 K154	T122-Y162 HydrophobicContact CG2-CD2 4.24Å; T122-Y162 HydrophobicContact CG2-CE2 4.42Å; R127-Y162 VanDerWaalsContact NH2-CE2 3.3Å; R127-Y162 PolarHBondContact NH2-OH 3.07Å; Y152-Y162 AromaticContact CD1-CD1 3.98Å; Y152-Y162 HydrophobicContact CD1-CD1 3.98Å; Y152-Y162 HydrophobicContact CD1-CE1 4.4Å; Y152-Y162 AromaticContact CE1-CD1 3.49Å; Y152-Y162 HydrophobicContact CE1-CD1 3.49Å; Y152-Y162 VanDerWaalsContact CE1-CD1 3.49Å; Y152-Y162 HydrophobicContact CE1-CE1 4.05Å; Y152-Y162 HydrophobicContact CE1-CG 4.02Å; Y152-Y162 HydrophobicContact CE2-CD1 4.37Å; Y152-Y162 AromaticContact CZ-CD1 3.72Å; Y152-Y162 AromaticContact CZ-CG 3.83Å; Y152-Y162 VanDerWaalsContact OH-CB 3.3Å; Y152-Y162 WeakPolarHBondContact OH-CB 3.42Å; Y153-Y162 CarbonylContact O-C 3.55Å; Y153-Y162 WeakPolarHBondContact O-CA 3.28Å; K154-Y162 HydrophobicContact CD-CE2 4.17Å; K154-Y162 WeakPolarHBondContact CE-OH 3.46Å; K154-Y162 HydrophobicContact CG-CD1 4.05Å; K154-Y162 HydrophobicContact CG-CD2 4.18Å; K154-Y162 HydrophobicContact CG-CE1 3.66Å; K154-Y162 HydrophobicContact CG-CE2 3.81Å; K154-Y162 HydrophobicContact CG-CG 4.27Å; K154-Y162 VanDerWaalsContact CG-CZ 3.49Å
163	V	89.9	Confident	86.7	Confident	3 Å²	3	46 Å²	46	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.8	173.1	179.5	0	0	0	0	107.7	N115 I116 V117 Y153 S155 Q158	N115-V163 HydrophobicContact CB-CG1 4.14Å; I116-V163 WeakPolarHBondContact O-CA 3.23Å; V117-V163 HydrophobicContact CG1-CG1 4.28Å; Y153-V163 HydrophobicContact CE2-CB 4.5Å; Y153-V163 PolarHBondContact N-O 3Å; Y153-V163 VanDerWaalsContact N-O 3.08Å; Y153-V163 PolarHBondContact O-N 3.13Å; S155-V163 VanDerWaalsContact CB-CG2 3.48Å; Q158-V163 HydrophobicContact CB-CG2 4.26Å; Q158-V163 HydrophobicContact CG-CG2 3.92Å
164	M	93.1	Very high	87.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.8	167	-178.9	172	42.7	0	0	109	F99 N115 I116 F119 Y126 P132 V150 F151 Y152	F99-M164 HydrophobicContact CE1-CE 3.58Å; F99-M164 HydrophobicContact CZ-CE 3.94Å; N115-M164 CarbonylContact C-O 3.52Å; N115-M164 WeakPolarHBondContact CA-O 3.45Å; I116-M164 HydrophobicContact CB-CB 4.31Å; I116-M164 HydrophobicContact CB-CE 4.35Å; I116-M164 HydrophobicContact CD1-CE 3.63Å; I116-M164 HydrophobicContact CG1-CE 4.16Å; I116-M164 PolarHBondContact N-O 3.06Å; I116-M164 PolarHBondContact O-N 2.79Å; I116-M164 VanDerWaalsContact O-N 3.1Å; F119-M164 HydrophobicContact CE2-CE 4.48Å; Y126-M164 HydrophobicContact CD1-SD 3.55Å; Y126-M164 VanDerWaalsContact CD1-SD 3.55Å; Y126-M164 HydrophobicContact CD2-CE 4.16Å; Y126-M164 HydrophobicContact CD2-SD 3.64Å; Y126-M164 HydrophobicContact CE1-CE 4.32Å; Y126-M164 HydrophobicContact CE1-SD 3.4Å; Y126-M164 WeakPolarHBondContact CE1-SD 3.27Å; Y126-M164 HydrophobicContact CE2-CE 3.53Å; Y126-M164 HydrophobicContact CE2-SD 3.43Å; Y126-M164 WeakPolarHBondContact CE2-SD 3.49Å; Y126-M164 HydrophobicContact CG-SD 3.73Å; P132-M164 HydrophobicContact CG-SD 4.18Å; V150-M164 HydrophobicContact CG1-CG 4.21Å; V150-M164 HydrophobicContact CG1-SD 4.29Å; F151-M164 CarbonylContact O-C 3.55Å; F151-M164 WeakPolarHBondContact O-CA 3.3Å; Y152-M164 HydrophobicContact CD2-CB 3.72Å; Y152-M164 HydrophobicContact CD2-CG 4.31Å; Y152-M164 HydrophobicContact CE2-CB 4.15Å
165	S	94	Very high	87.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.8	174.2	-58	0	0	0	0	109.3	F114 N115 F151 Y153	F114-S165 CarbonylContact O-C 3.59Å; F114-S165 VanDerWaalsContact O-CA 3.3Å; F114-S165 WeakPolarHBondContact O-CA 3.36Å; N115-S165 VanDerWaalsContact OD1-CB 3.23Å; N115-S165 WeakPolarHBondContact OD1-CB 3.42Å; N115-S165 PolarHBondContact OD1-OG 3.31Å; F151-S165 PolarHBondContact N-O 3.18Å; F151-S165 PolarHBondContact O-N 2.88Å; Y153-S165 WeakPolarHBondContact CE1-OG 3.4Å; Y153-S165 PolarHBondContact OH-OG 3.02Å; Y153-S165 VanDerWaalsContact OH-OG 3.1Å
166	F	95.5	Very high	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.9	167	61.8	-84.3	0	0	0	111.7	F101 F114 I116 P132 I145 C149 V150 F179	F101-F166 HydrophobicContact CZ-CZ 4.25Å; F114-F166 HydrophobicContact CB-CD1 4.13Å; F114-F166 HydrophobicContact CB-CD2 4.3Å; F114-F166 HydrophobicContact CB-CE1 3.67Å; F114-F166 HydrophobicContact CB-CE2 3.91Å; F114-F166 HydrophobicContact CB-CG 4.43Å; F114-F166 HydrophobicContact CB-CZ 3.56Å; F114-F166 HydrophobicContact CD2-CD2 4.25Å; F114-F166 AromaticContact CD2-CE2 3.48Å; F114-F166 HydrophobicContact CD2-CE2 3.48Å; F114-F166 VanDerWaalsContact CD2-CE2 3.48Å; F114-F166 AromaticContact CD2-CZ 3.71Å; F114-F166 HydrophobicContact CD2-CZ 3.71Å; F114-F166 HydrophobicContact CE2-CE2 4.5Å; F114-F166 HydrophobicContact CG-CE2 4.17Å; F114-F166 HydrophobicContact CG-CZ 4.05Å; F114-F166 PolarHBondContact N-O 3.37Å; F114-F166 PolarHBondContact O-N 3.27Å; I116-F166 HydrophobicContact CG1-CE1 4.47Å; P132-F166 HydrophobicContact CG-CD1 4.3Å; I145-F166 HydrophobicContact CD1-CD2 3.52Å; I145-F166 HydrophobicContact CD1-CE2 3.76Å; I145-F166 HydrophobicContact CD1-CG 4.24Å; C149-F166 CarbonylContact O-C 3.57Å; C149-F166 WeakPolarHBondContact O-CA 3.25Å; V150-F166 HydrophobicContact CG2-CB 3.99Å; F166-F179 AromaticContact CE2-CD1 3.81Å; F166-F179 HydrophobicContact CE2-CD1 3.81Å; F166-F179 HydrophobicContact CE2-CE1 4.04Å; F166-F179 HydrophobicContact CE2-CG 4.42Å; F166-F179 HydrophobicContact CZ-CD1 4.3Å
167	A	95.6	Very high	89.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.5	176.5	0	0	0	0	0	109.9	V112 C149 L543 T546 L547 L550	V112-A167 CarbonylContact O-C 3.38Å; V112-A167 WeakPolarHBondContact O-CA 3.23Å; C149-A167 PolarHBondContact O-N 3.47Å; A167-L543 HydrophobicContact CB-CD1 4.12Å; A167-T546 HydrophobicContact CB-CG2 4.39Å; A167-L547 HydrophobicContact CB-CD1 4.29Å; A167-L550 HydrophobicContact CB-CD1 3.69Å
168	F	96	Very high	90.9	Very high	7 Å²	7	41 Å²	41	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.2	-179.5	-162.5	-101.6	0	0	0	110.1	R111 V112 V134 F170 Y177 F179 I555	R111-F168 CarbonylContact C-O 3.36Å; R111-F168 WeakPolarHBondContact CA-O 3.5Å; V112-F168 HydrophobicContact CG2-CB 4.13Å; V112-F168 PolarHBondContact N-O 3.15Å; V112-F168 PolarHBondContact O-N 2.91Å; V134-F168 HydrophobicContact CG1-CE2 4.21Å; V134-F168 HydrophobicContact CG2-CE2 4.14Å; V134-F168 HydrophobicContact CG2-CZ 4.02Å; F168-F170 AromaticContact CD1-CD1 3.83Å; F168-F170 HydrophobicContact CD1-CD1 3.83Å; F168-F170 AromaticContact CD1-CE1 3.7Å; F168-F170 HydrophobicContact CD1-CE1 3.7Å; F168-F170 HydrophobicContact CD1-CG 4.34Å; F168-F170 HydrophobicContact CD1-CZ 4.08Å; F168-F170 AromaticContact CE1-CD1 3.64Å; F168-F170 HydrophobicContact CE1-CD1 3.64Å; F168-F170 AromaticContact CE1-CE1 3.76Å; F168-F170 HydrophobicContact CE1-CE1 3.76Å; F168-F170 HydrophobicContact CE1-CG 4.39Å; F168-Y177 AromaticContact CE1-CD1 3.77Å; F168-Y177 HydrophobicContact CE1-CD1 3.77Å; F168-Y177 AromaticContact CE1-CE1 3.96Å; F168-Y177 HydrophobicContact CE1-CE1 3.96Å; F168-Y177 AromaticContact CZ-CD1 3.92Å; F168-Y177 HydrophobicContact CZ-CD1 3.92Å; F168-Y177 HydrophobicContact CZ-CE1 4.11Å; F168-F179 HydrophobicContact CD1-CE1 4.19Å; F168-F179 AromaticContact CD1-CZ 3.78Å; F168-F179 HydrophobicContact CD1-CZ 3.78Å; F168-F179 AromaticContact CD2-CE1 3.91Å; F168-F179 HydrophobicContact CD2-CE1 3.91Å; F168-F179 HydrophobicContact CD2-CZ 4.34Å; F168-F179 HydrophobicContact CE1-CE1 4.26Å; F168-F179 AromaticContact CE1-CZ 3.82Å; F168-F179 HydrophobicContact CE1-CZ 3.82Å; F168-F179 AromaticContact CE2-CE1 4Å; F168-F179 HydrophobicContact CE2-CE1 4Å; F168-F179 HydrophobicContact CE2-CZ 4.39Å; F168-F179 HydrophobicContact CG-CE1 4.01Å; F168-F179 HydrophobicContact CG-CZ 4.05Å; F168-F179 HydrophobicContact CZ-CE1 4.18Å; F168-F179 HydrophobicContact CZ-CZ 4.14Å; F168-I555 HydrophobicContact CE2-CG1 4.46Å; F168-I555 HydrophobicContact CZ-CG2 4.35Å
169	S	95.1	Very high	92.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.3	169.9	-176.7	0	0	0	0	108.1	Q110 I555	Q110-S169 CarbonylContact O-C 3.5Å; Q110-S169 VanDerWaalsContact O-CA 3.32Å; Q110-S169 WeakPolarHBondContact O-CA 3.3Å; S169-I555 VanDerWaalsContact CB-CD1 3.45Å; S169-I555 WeakPolarHBondContact O-CD1 3.38Å
170	F	95.6	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.			trans	-91.4	131.6	176.7	-61.8	-74.5	0	0	0	109.4	L60 V103 T106 E109 Q110 V112 F114 F168 Y177 F179	L60-F170 HydrophobicContact CD1-CE2 3.93Å; L60-F170 HydrophobicContact CD1-CZ 4.33Å; L60-F170 HydrophobicContact CD2-CE2 4.14Å; V103-F170 HydrophobicContact CB-CZ 4.45Å; V103-F170 HydrophobicContact CG1-CE1 4.31Å; V103-F170 HydrophobicContact CG1-CZ 3.9Å; T106-F170 HydrophobicContact CG2-CB 4.09Å; T106-F170 HydrophobicContact CG2-CD1 3.42Å; T106-F170 VanDerWaalsContact CG2-CD1 3.42Å; T106-F170 HydrophobicContact CG2-CD2 3.89Å; T106-F170 HydrophobicContact CG2-CE1 3.68Å; T106-F170 HydrophobicContact CG2-CE2 4.14Å; T106-F170 HydrophobicContact CG2-CG 3.52Å; T106-F170 HydrophobicContact CG2-CZ 4.04Å; E109-F170 PolarHBondContact N-O 3.33Å; Q110-F170 HydrophobicContact CB-CD2 4.19Å; Q110-F170 HydrophobicContact CG-CD2 4.37Å; Q110-F170 WeakPolarHBondContact O-CD2 3.42Å; Q110-F170 PolarHBondContact O-N 2.93Å; V112-F170 HydrophobicContact CB-CE2 4.44Å; V112-F170 HydrophobicContact CG1-CE2 3.99Å; V112-F170 HydrophobicContact CG2-CD2 4.43Å; V112-F170 HydrophobicContact CG2-CE2 3.56Å; V112-F170 HydrophobicContact CG2-CZ 4.04Å; F114-F170 HydrophobicContact CE2-CZ 4.07Å; F114-F170 HydrophobicContact CZ-CE2 4.46Å; F114-F170 AromaticContact CZ-CZ 3.98Å; F114-F170 HydrophobicContact CZ-CZ 3.98Å; F168-F170 AromaticContact CD1-CD1 3.83Å; F168-F170 HydrophobicContact CD1-CD1 3.83Å; F168-F170 AromaticContact CD1-CE1 3.7Å; F168-F170 HydrophobicContact CD1-CE1 3.7Å; F168-F170 HydrophobicContact CD1-CG 4.34Å; F168-F170 HydrophobicContact CD1-CZ 4.08Å; F168-F170 AromaticContact CE1-CD1 3.64Å; F168-F170 HydrophobicContact CE1-CD1 3.64Å; F168-F170 AromaticContact CE1-CE1 3.76Å; F168-F170 HydrophobicContact CE1-CE1 3.76Å; F168-F170 HydrophobicContact CE1-CG 4.39Å; F170-Y177 HydrophobicContact CD1-CD1 4.12Å; F170-Y177 AromaticContact CD1-CD2 3.58Å; F170-Y177 HydrophobicContact CD1-CD2 3.58Å; F170-Y177 HydrophobicContact CD1-CE1 4.16Å; F170-Y177 AromaticContact CD1-CE2 3.67Å; F170-Y177 HydrophobicContact CD1-CE2 3.67Å; F170-Y177 AromaticContact CD1-CG 3.84Å; F170-Y177 HydrophobicContact CD1-CG 3.84Å; F170-Y177 AromaticContact CD1-CZ 3.96Å; F170-Y177 HydrophobicContact CE1-CD1 4.37Å; F170-Y177 AromaticContact CE1-CD2 3.86Å; F170-Y177 HydrophobicContact CE1-CD2 3.86Å; F170-Y177 HydrophobicContact CE1-CE2 4.41Å; F170-Y177 AromaticContact CE1-CG 3.86Å; F170-Y177 HydrophobicContact CE1-CG 3.86Å; F170-F179 HydrophobicContact CE1-CE2 4.33Å; F170-F179 HydrophobicContact CE1-CZ 4.16Å
171	D	92.6	Very high	94.3	Very high	26 Å²	26	22.8 Å²	22.8	14%	0.139	11%	0.113	C	C	.	.			trans	-115.4	-6	-173.2	67.1	-32.5	0	0	0	113.6	Y108 R139 Y177 C552	Y108-D171 VanDerWaalsContact CD2-O 3.32Å; Y108-D171 WeakPolarHBondContact CD2-O 3.3Å; Y108-D171 WeakPolarHBondContact CE2-O 3.36Å; R139-D171 IonicContact CZ-OD1 3.6Å; R139-D171 IonicContact CZ-OD2 2.68Å; R139-D171 IonicContact NH1-OD1 2.95Å; R139-D171 IonicContact NH1-OD2 2.82Å; R139-D171 PolarHBondContact NH1-OD2 3.42Å; R139-D171 IonicContact NH2-OD1 3.53Å; R139-D171 PolarHBondContact NH2-OD1 3.34Å; R139-D171 IonicContact NH2-OD2 2.68Å; R139-D171 PolarHBondContact NH2-OD2 2.95Å; D171-Y177 PolarHBondContact N-OH 2.77Å; D171-Y177 PolarHBondContact OD1-OH 2.79Å; D171-C552 HydrophobicContact CB-CB 4.12Å
172	C	93.1	Very high	95	Very high	39 Å²	39	19.7 Å²	19.7	26%	0.264	10%	0.099	S	C	.	.			trans	-143.1	120.9	175.8	-176.5	0	0	0	0	110.2	T106 D175 Y177	T106-C172 PolarHBondContact OG1-O 3.35Å; C172-D175 HydrophobicContact CB-CB 4.01Å; C172-Y177 WeakPolarHBondContact CB-OH 3.43Å; C172-Y177 PolarHBondContact N-OH 2.89Å; C172-Y177 WeakPolarHBondContact O-CE2 3.4Å; C172-Y177 PolarHBondContact O-OH 2.94Å; C172-Y177 VanDerWaalsContact O-OH 3.07Å
173	E	94	Very high	95.7	Very high	65 Å²	65	18.5 Å²	18.5	30%	0.304	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.2	-175.4	-62.6	-168.7	154.6	0	0	114.4	K57 K107 Y108 D175	K57-E173 HydrophobicContact CD-CB 4.48Å; K57-E173 PolarHBondContact NZ-O 3.11Å; K107-E173 WeakPolarHBondContact CA-OE1 3.49Å; K107-E173 WeakPolarHBondContact CG-OE1 3.33Å; Y108-E173 PolarHBondContact N-OE1 3.35Å; E173-D175 VanDerWaalsContact C-N 3.33Å
174	E	94.5	Very high	96.1	Very high	145 Å²	145	18.9 Å²	18.9	68%	0.678	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.8	177.8	-57.9	-48.5	137.3	0	0	112.1	K57	K57-E174 IonicContact NZ-OE1 3.48Å; K57-E174 PolarHBondContact NZ-OE1 3.2Å; K57-E174 IonicContact NZ-OE2 2.7Å
175	D	96.2	Very high	96.3	Very high	9 Å²	9	19 Å²	19	5%	0.048	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-85.8	138.6	-179.8	-96.3	-12.5	0	0	0	112.8	S136 S137 S138 R139 C172 E173 Y177	S136-D175 WeakPolarHBondContact CB-OD2 3.36Å; S136-D175 PolarHBondContact OG-OD2 2.84Å; S137-D175 VanDerWaalsContact OG-CA 3.23Å; S137-D175 WeakPolarHBondContact OG-CA 3.44Å; S137-D175 PolarHBondContact OG-OD1 3.32Å; S138-D175 WeakPolarHBondContact CB-OD1 3.48Å; S138-D175 PolarHBondContact N-OD1 2.69Å; S138-D175 VanDerWaalsContact OG-CG 3.29Å; S138-D175 PolarHBondContact OG-OD1 3.29Å; S138-D175 PolarHBondContact OG-OD2 3.12Å; R139-D175 IonicContact CZ-OD2 3.39Å; R139-D175 IonicContact NH2-OD2 3.03Å; R139-D175 PolarHBondContact NH2-OD2 2.75Å; C172-D175 HydrophobicContact CB-CB 4.01Å; E173-D175 VanDerWaalsContact C-N 3.33Å; D175-Y177 HydrophobicContact CB-CD2 4.15Å; D175-Y177 HydrophobicContact CB-CE2 3.5Å; D175-Y177 VanDerWaalsContact CB-CE2 3.5Å
176	V	97.9	Very high	96.5	Very high	49 Å²	49	20 Å²	20	30%	0.297	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-89.6	119.7	158.7	-177.6	0	0	0	0	107.6	T102 E104 S136 S137	T102-V176 HydrophobicContact CG2-CG1 4.02Å; E104-V176 HydrophobicContact CB-CG1 4.38Å; E104-V176 HydrophobicContact CB-CG2 3.99Å; S136-V176 CarbonylContact C-O 3.54Å; S136-V176 VanDerWaalsContact CA-O 3.25Å; S136-V176 WeakPolarHBondContact CA-O 3.43Å; S137-V176 PolarHBondContact N-O 3.02Å; S137-V176 PolarHBondContact OG-N 2.89Å
177	Y	98.3	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.5	176.2	-65.3	-102.5	0	0	0	109	T102 V103 T106 V134 K135 R139 F168 F170 D171 C172 D175	T102-Y177 CarbonylContact C-O 3.05Å; T102-Y177 WeakPolarHBondContact CA-O 3.29Å; T102-Y177 WeakPolarHBondContact CB-O 3.47Å; V103-Y177 PolarHBondContact N-O 2.95Å; V103-Y177 PolarHBondContact O-N 3.29Å; T106-Y177 HydrophobicContact CG2-CD2 4.1Å; T106-Y177 HydrophobicContact CG2-CE2 4.23Å; V134-Y177 HydrophobicContact CG2-CD1 4.45Å; K135-Y177 CarbonylContact O-C 3.51Å; K135-Y177 WeakPolarHBondContact O-CA 3.48Å; R139-Y177 PolarHBondContact NH2-OH 3.29Å; F168-Y177 AromaticContact CE1-CD1 3.77Å; F168-Y177 HydrophobicContact CE1-CD1 3.77Å; F168-Y177 AromaticContact CE1-CE1 3.96Å; F168-Y177 HydrophobicContact CE1-CE1 3.96Å; F168-Y177 AromaticContact CZ-CD1 3.92Å; F168-Y177 HydrophobicContact CZ-CD1 3.92Å; F168-Y177 HydrophobicContact CZ-CE1 4.11Å; F170-Y177 HydrophobicContact CD1-CD1 4.12Å; F170-Y177 AromaticContact CD1-CD2 3.58Å; F170-Y177 HydrophobicContact CD1-CD2 3.58Å; F170-Y177 HydrophobicContact CD1-CE1 4.16Å; F170-Y177 AromaticContact CD1-CE2 3.67Å; F170-Y177 HydrophobicContact CD1-CE2 3.67Å; F170-Y177 AromaticContact CD1-CG 3.84Å; F170-Y177 HydrophobicContact CD1-CG 3.84Å; F170-Y177 AromaticContact CD1-CZ 3.96Å; F170-Y177 HydrophobicContact CE1-CD1 4.37Å; F170-Y177 AromaticContact CE1-CD2 3.86Å; F170-Y177 HydrophobicContact CE1-CD2 3.86Å; F170-Y177 HydrophobicContact CE1-CE2 4.41Å; F170-Y177 AromaticContact CE1-CG 3.86Å; F170-Y177 HydrophobicContact CE1-CG 3.86Å; D171-Y177 PolarHBondContact N-OH 2.77Å; D171-Y177 PolarHBondContact OD1-OH 2.79Å; C172-Y177 WeakPolarHBondContact CB-OH 3.43Å; C172-Y177 PolarHBondContact N-OH 2.89Å; C172-Y177 WeakPolarHBondContact O-CE2 3.4Å; C172-Y177 PolarHBondContact O-OH 2.94Å; C172-Y177 VanDerWaalsContact O-OH 3.07Å; D175-Y177 HydrophobicContact CB-CD2 4.15Å; D175-Y177 HydrophobicContact CB-CE2 3.5Å; D175-Y177 VanDerWaalsContact CB-CE2 3.5Å
178	Q	98.6	Very high	96.8	Very high	31 Å²	31	23.2 Å²	23.2	15%	0.145	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130	174.4	-166.8	179.1	0.7	0	0	109.5	N100 F101 T102 V134 K135 W142	N100-Q178 PolarHBondContact OD1-NE2 3.33Å; F101-Q178 CarbonylContact O-C 3.57Å; F101-Q178 WeakPolarHBondContact O-CA 3.45Å; F101-Q178 WeakPolarHBondContact O-CG 3.48Å; T102-Q178 HydrophobicContact CG2-CB 4Å; T102-Q178 HydrophobicContact CG2-CG 3.83Å; V134-Q178 CarbonylContact C-O 3.56Å; V134-Q178 VanDerWaalsContact CA-O 3.25Å; V134-Q178 WeakPolarHBondContact CA-O 3.2Å; K135-Q178 HydrophobicContact CG-CB 4.02Å; K135-Q178 PolarHBondContact N-O 2.77Å; K135-Q178 PolarHBondContact O-N 3.26Å; W142-Q178 HydrophobicContact CH2-CB 4.03Å; W142-Q178 HydrophobicContact CH2-CG 3.7Å; W142-Q178 HydrophobicContact CZ3-CB 4.44Å; W142-Q178 HydrophobicContact CZ3-CG 4.45Å; W142-Q178 WeakPolarHBondContact CZ3-O 3.43Å
179	F	98.6	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	179.3	-59.5	-88.5	0	0	0	109.8	N100 F101 V103 F114 V133 V134 I145 F166 F168 F170	N100-F179 VanDerWaalsContact CA-O 3.29Å; N100-F179 WeakPolarHBondContact CA-O 3.19Å; F101-F179 HydrophobicContact CD2-CD2 4.32Å; F101-F179 HydrophobicContact CE1-CB 4.03Å; F101-F179 HydrophobicContact CE2-CB 4.04Å; F101-F179 AromaticContact CE2-CD2 3.71Å; F101-F179 HydrophobicContact CE2-CD2 3.71Å; F101-F179 HydrophobicContact CE2-CG 4.19Å; F101-F179 HydrophobicContact CZ-CB 3.75Å; F101-F179 HydrophobicContact CZ-CD2 4.17Å; F101-F179 HydrophobicContact CZ-CG 4.18Å; F101-F179 PolarHBondContact N-O 2.91Å; F101-F179 PolarHBondContact O-N 3.24Å; V103-F179 HydrophobicContact CB-CE2 4.25Å; V103-F179 HydrophobicContact CG2-CD2 4.06Å; V103-F179 HydrophobicContact CG2-CE2 3.89Å; F114-F179 HydrophobicContact CE2-CE2 4.15Å; F114-F179 HydrophobicContact CE2-CZ 4.21Å; V133-F179 WeakPolarHBondContact O-CA 3.4Å; V134-F179 HydrophobicContact CB-CD1 3.9Å; V134-F179 HydrophobicContact CB-CE1 3.95Å; V134-F179 HydrophobicContact CG2-CD1 3.74Å; V134-F179 HydrophobicContact CG2-CE1 3.44Å; V134-F179 VanDerWaalsContact CG2-CE1 3.44Å; V134-F179 HydrophobicContact CG2-CG 4.47Å; V134-F179 HydrophobicContact CG2-CZ 3.95Å; I145-F179 HydrophobicContact CD1-CD1 4.07Å; I145-F179 HydrophobicContact CD1-CE1 4.26Å; F166-F179 AromaticContact CE2-CD1 3.81Å; F166-F179 HydrophobicContact CE2-CD1 3.81Å; F166-F179 HydrophobicContact CE2-CE1 4.04Å; F166-F179 HydrophobicContact CE2-CG 4.42Å; F166-F179 HydrophobicContact CZ-CD1 4.3Å; F168-F179 HydrophobicContact CD1-CE1 4.19Å; F168-F179 AromaticContact CD1-CZ 3.78Å; F168-F179 HydrophobicContact CD1-CZ 3.78Å; F168-F179 AromaticContact CD2-CE1 3.91Å; F168-F179 HydrophobicContact CD2-CE1 3.91Å; F168-F179 HydrophobicContact CD2-CZ 4.34Å; F168-F179 HydrophobicContact CE1-CE1 4.26Å; F168-F179 AromaticContact CE1-CZ 3.82Å; F168-F179 HydrophobicContact CE1-CZ 3.82Å; F168-F179 AromaticContact CE2-CE1 4Å; F168-F179 HydrophobicContact CE2-CE1 4Å; F168-F179 HydrophobicContact CE2-CZ 4.39Å; F168-F179 HydrophobicContact CG-CE1 4.01Å; F168-F179 HydrophobicContact CG-CZ 4.05Å; F168-F179 HydrophobicContact CZ-CE1 4.18Å; F168-F179 HydrophobicContact CZ-CZ 4.14Å; F170-F179 HydrophobicContact CE1-CE2 4.33Å; F170-F179 HydrophobicContact CE1-CZ 4.16Å
180	A	98.4	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.3	178.7	0	0	0	0	0	113.3	F99 N100 P132 V133 W142 C182 P184	F99-A180 WeakPolarHBondContact O-CA 3.4Å; N100-A180 HydrophobicContact CB-CB 4.27Å; P132-A180 WeakPolarHBondContact CA-O 3.46Å; P132-A180 WeakPolarHBondContact CB-O 3.43Å; V133-A180 HydrophobicContact CG2-CB 3.9Å; V133-A180 WeakPolarHBondContact CG2-O 3.36Å; V133-A180 PolarHBondContact N-O 3.08Å; V133-A180 PolarHBondContact O-N 2.91Å; W142-A180 HydrophobicContact CH2-CB 4.03Å; W142-A180 HydrophobicContact CZ3-CB 4.14Å; A180-C182 VanDerWaalsContact C-N 3.34Å; A180-C182 WeakPolarHBondContact CB-O 3.5Å; A180-C182 PolarHBondContact O-N 3.18Å; A180-P184 HydrophobicContact CB-CG 3.56Å
181	Y	97.3	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-58.4	-44.7	178	175.5	-92.2	0	0	0	112.5	V97 W98 F99 F119 Y126 M130 F421	V97-Y181 HydrophobicContact CG1-CD2 4.38Å; V97-Y181 HydrophobicContact CG1-CE2 3.88Å; V97-Y181 WeakPolarHBondContact O-CD2 3.15Å; W98-Y181 AromaticContact CE3-CD1 3.97Å; W98-Y181 HydrophobicContact CE3-CD1 3.97Å; W98-Y181 HydrophobicContact CE3-CG 4.18Å; W98-Y181 HydrophobicContact CZ3-CD1 4.12Å; W98-Y181 HydrophobicContact CZ3-CG 4.49Å; F99-Y181 HydrophobicContact CD1-CD2 4.28Å; F99-Y181 AromaticContact CE1-CD2 3.78Å; F99-Y181 HydrophobicContact CE1-CD2 3.78Å; F99-Y181 HydrophobicContact CE1-CG 4.29Å; F99-Y181 PolarHBondContact O-N 3.04Å; F119-Y181 HydrophobicContact CE2-CD2 4.3Å; F119-Y181 HydrophobicContact CE2-CE2 4.1Å; F119-Y181 AromaticContact CZ-CE2 3.86Å; F119-Y181 HydrophobicContact CZ-CE2 3.86Å; Y126-Y181 AromaticContact CE2-CD2 3.96Å; Y126-Y181 HydrophobicContact CE2-CD2 3.96Å; Y126-Y181 AromaticContact CE2-CE2 3.5Å; Y126-Y181 HydrophobicContact CE2-CE2 3.5Å; Y126-Y181 VanDerWaalsContact CE2-CE2 3.5Å; Y126-Y181 AromaticContact CZ-CD2 3.96Å; Y126-Y181 AromaticContact CZ-CE2 3.8Å; Y126-Y181 WeakPolarHBondContact OH-CD2 3.5Å; Y126-Y181 WeakPolarHBondContact OH-CE2 3.47Å; M130-Y181 HydrophobicContact CE-CD1 4.31Å; M130-Y181 HydrophobicContact CE-CE1 3.85Å; M130-Y181 HydrophobicContact CE-CE2 4.1Å; M130-Y181 WeakPolarHBondContact CE-O 3.45Å; Y181-F421 HydrophobicContact CD1-CD1 4.2Å; Y181-F421 AromaticContact CD1-CE1 3.93Å; Y181-F421 HydrophobicContact CD1-CE1 3.93Å; Y181-F421 HydrophobicContact CD1-CZ 4.41Å; Y181-F421 AromaticContact CE1-CD1 3.61Å; Y181-F421 HydrophobicContact CE1-CD1 3.61Å; Y181-F421 HydrophobicContact CE1-CD2 4.26Å; Y181-F421 AromaticContact CE1-CE1 3.48Å; Y181-F421 HydrophobicContact CE1-CE1 3.48Å; Y181-F421 VanDerWaalsContact CE1-CE1 3.48Å; Y181-F421 HydrophobicContact CE1-CE2 4.16Å; Y181-F421 AromaticContact CE1-CG 3.94Å; Y181-F421 HydrophobicContact CE1-CG 3.94Å; Y181-F421 AromaticContact CE1-CZ 3.7Å; Y181-F421 HydrophobicContact CE1-CZ 3.7Å
182	C	96.8	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-149.2	176.2	171.8	-164.8	0	0	0	0	108	W98 A180 P184 F421	W98-C182 WeakPolarHBondContact CH2-O 2.83Å; W98-C182 HydrophobicContact CZ3-CB 4.36Å; A180-C182 VanDerWaalsContact C-N 3.34Å; A180-C182 WeakPolarHBondContact CB-O 3.5Å; A180-C182 PolarHBondContact O-N 3.18Å; C182-P184 WeakPolarHBondContact O-CD 3.43Å; C182-F421 HydrophobicContact CB-CD1 3.71Å; C182-F421 HydrophobicContact CB-CE1 4.07Å
183	Y	97.7	Very high	97.8	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.047	14%	0.135	C	C	.	.			trans	-52.3	114.5	179.1	-50.9	-72.9	0	0	0	110.8	V133 W142 T251 Y255 Y435 E437 Y440	V133-Y183 HydrophobicContact CB-CD1 4.45Å; V133-Y183 HydrophobicContact CB-CE1 4.44Å; V133-Y183 HydrophobicContact CG1-CD1 3.93Å; V133-Y183 HydrophobicContact CG1-CE1 3.66Å; W142-Y183 HydrophobicContact CB-CD1 3.46Å; W142-Y183 VanDerWaalsContact CB-CD1 3.46Å; W142-Y183 HydrophobicContact CB-CE1 3.65Å; W142-Y183 AromaticContact CG-CD1 3.92Å; W142-Y183 HydrophobicContact CG-CD1 3.92Å; Y183-T251 WeakPolarHBondContact O-CB 3.25Å; Y183-T251 PolarHBondContact O-OG1 2.98Å; Y183-Y255 VanDerWaalsContact CB-OH 3.27Å; Y183-Y255 WeakPolarHBondContact CB-OH 3.36Å; Y183-Y435 WeakPolarHBondContact CE2-O 3.39Å; Y183-Y435 PolarHBondContact OH-O 2.92Å; Y183-E437 HydrophobicContact CD1-CG 3.97Å; Y183-E437 HydrophobicContact CD2-CG 4.23Å; Y183-E437 HydrophobicContact CE1-CG 4.49Å; Y183-E437 HydrophobicContact CG-CG 3.82Å; Y183-Y440 HydrophobicContact CD2-CD2 4.46Å; Y183-Y440 AromaticContact CD2-CE2 3.86Å; Y183-Y440 HydrophobicContact CD2-CE2 3.86Å; Y183-Y440 HydrophobicContact CE2-CE2 4.08Å
184	P	98.3	Very high	98	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.071	12%	0.121	C	C	.	.			trans	-68.7	133	-178.9	-23.5	36.9	0	0	0	111.9	W98 W142 A180 C182 Y255	W98-P184 HydrophobicContact CH2-CB 4.31Å; W98-P184 HydrophobicContact CH2-CG 4.22Å; W98-P184 HydrophobicContact CZ2-CB 4.22Å; W98-P184 HydrophobicContact CZ2-CG 4.27Å; W142-P184 VanDerWaalsContact CE2-CD 3.42Å; W142-P184 HydrophobicContact CH2-CG 3.81Å; W142-P184 HydrophobicContact CZ2-CB 4.43Å; W142-P184 HydrophobicContact CZ2-CG 3.48Å; W142-P184 VanDerWaalsContact CZ2-CG 3.48Å; A180-P184 HydrophobicContact CB-CG 3.56Å; C182-P184 WeakPolarHBondContact O-CD 3.43Å; P184-Y255 PolarHBondContact O-OH 3.28Å
185	Y	98.6	Very high	98.2	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.016	10%	0.1	C	C	.	.			trans	-125.1	95.9	172.2	-161.8	-69.5	0	0	0	108.7	R189 L190 S254 Y255 Q258 M285	Y185-R189 HydrophobicContact CE1-CG 4.48Å; Y185-L190 HydrophobicContact CE1-CB 3.89Å; Y185-L190 HydrophobicContact CE1-CD1 4.31Å; Y185-S254 VanDerWaalsContact CD1-CB 3.44Å; Y185-Y255 HydrophobicContact CD2-CD1 4.07Å; Y185-Y255 HydrophobicContact CD2-CD2 4.02Å; Y185-Y255 AromaticContact CD2-CE1 3.88Å; Y185-Y255 HydrophobicContact CD2-CE1 3.88Å; Y185-Y255 AromaticContact CD2-CE2 3.82Å; Y185-Y255 HydrophobicContact CD2-CE2 3.82Å; Y185-Y255 HydrophobicContact CD2-CG 4.15Å; Y185-Y255 AromaticContact CD2-CZ 3.76Å; Y185-Y255 HydrophobicContact CE2-CD1 4.37Å; Y185-Y255 HydrophobicContact CE2-CE1 4.42Å; Y185-Y255 HydrophobicContact CG-CE2 4.37Å; Y185-Q258 PolarHBondContact OH-OE1 3.36Å; Y185-M285 HydrophobicContact CD1-CE 4.47Å
186	T	98.7	Very high	98.3	Very high	21 Å²	21	19 Å²	19	13%	0.129	11%	0.107	C	C	.	.			trans	-79.8	164.6	-173.2	76.8	0	0	0	0	112.2	E67 R189 L190	E67-T186 HydrophobicContact CG-CG2 4.32Å; E67-T186 WeakPolarHBondContact OE1-CB 3.5Å; E67-T186 WeakPolarHBondContact OE2-CB 3.45Å; E67-T186 PolarHBondContact OE2-OG1 3.33Å; T186-R189 PolarHBondContact O-N 3.02Å; T186-R189 PolarHBondContact OG1-N 3.06Å; T186-R189 VanDerWaalsContact OG1-N 3.08Å; T186-L190 PolarHBondContact O-N 2.88Å; T186-L190 VanDerWaalsContact O-N 3.16Å
187	Y	98.8	Very high	98.3	Very high	24 Å²	24	17.1 Å²	17.1	9%	0.094	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-42.6	173.2	166	-97.6	0	0	0	110.5	E67 R189 L190 Q191 R217 R218 M285 P288	E67-Y187 VanDerWaalsContact OE1-CA 3.26Å; E67-Y187 WeakPolarHBondContact OE1-CA 3.28Å; E67-Y187 WeakPolarHBondContact OE1-CB 3.46Å; E67-Y187 PolarHBondContact OE1-N 3.35Å; Y187-R189 VanDerWaalsContact C-N 3.28Å; Y187-R189 PolarHBondContact O-N 3.25Å; Y187-L190 WeakPolarHBondContact O-CA 3.49Å; Y187-L190 VanDerWaalsContact O-CB 3.3Å; Y187-L190 WeakPolarHBondContact O-CB 3.32Å; Y187-L190 PolarHBondContact O-N 2.99Å; Y187-Q191 HydrophobicContact CD1-CG 4.01Å; Y187-Q191 HydrophobicContact CD2-CG 4.18Å; Y187-Q191 HydrophobicContact CE1-CG 3.55Å; Y187-Q191 HydrophobicContact CE2-CG 3.77Å; Y187-Q191 VanDerWaalsContact CE2-NE2 3.29Å; Y187-Q191 HydrophobicContact CG-CG 4.32Å; Y187-Q191 VanDerWaalsContact CZ-CD 3.42Å; Y187-Q191 VanDerWaalsContact CZ-CG 3.42Å; Y187-Q191 WeakPolarHBondContact O-CG 3.48Å; Y187-Q191 PolarHBondContact O-N 3.48Å; Y187-Q191 PolarHBondContact OH-OE1 3.39Å; Y187-R217 HydrophobicContact CE1-CB 4.19Å; Y187-R217 HydrophobicContact CE1-CG 4.2Å; Y187-R217 HydrophobicContact CE2-CB 4.26Å; Y187-R218 WeakPolarHBondContact OH-CB 3.19Å; Y187-R218 PolarHBondContact OH-N 2.77Å; Y187-M285 HydrophobicContact CD2-SD 3.8Å; Y187-M285 HydrophobicContact CG-SD 4.32Å; Y187-P288 HydrophobicContact CD2-CB 3.62Å; Y187-P288 HydrophobicContact CD2-CG 4.26Å; Y187-P288 HydrophobicContact CE2-CB 3.84Å; Y187-P288 HydrophobicContact CE2-CG 4.26Å; Y187-P288 HydrophobicContact CG-CB 4.31Å
188	S	98.7	Very high	98.2	Very high	43 Å²	43	21.1 Å²	21.1	30%	0.301	11%	0.114	S	C	.	.	H	α-helix	trans	-60.4	-38.5	175.9	-52.1	0	0	0	0	112	E67 L190 Q191 T192	E67-S188 VanDerWaalsContact CD-OG 3.28Å; E67-S188 PolarHBondContact OE1-N 2.81Å; E67-S188 PolarHBondContact OE1-OG 3.25Å; E67-S188 WeakPolarHBondContact OE2-CB 3.27Å; E67-S188 PolarHBondContact OE2-N 2.88Å; E67-S188 PolarHBondContact OE2-OG 3.07Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.38Å; S188-Q191 PolarHBondContact O-N 3.45Å; S188-T192 PolarHBondContact O-N 2.75Å; S188-T192 PolarHBondContact O-OG1 3.14Å; S188-T192 VanDerWaalsContact O-OG1 3.11Å
189	R	98.2	Very high	98.2	Very high	39 Å²	39	24.4 Å²	24.4	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-46.4	173.2	-177.9	-176.2	177.6	110.3	-4.5	111.3	Y185 T186 Y187 Q191 T192 Y193 L486	Y185-R189 HydrophobicContact CE1-CG 4.48Å; T186-R189 PolarHBondContact O-N 3.02Å; T186-R189 PolarHBondContact OG1-N 3.06Å; T186-R189 VanDerWaalsContact OG1-N 3.08Å; Y187-R189 VanDerWaalsContact C-N 3.28Å; Y187-R189 PolarHBondContact O-N 3.25Å; R189-Q191 VanDerWaalsContact C-N 3.35Å; R189-Q191 PolarHBondContact O-N 3Å; R189-T192 PolarHBondContact O-N 2.81Å; R189-Y193 WeakPolarHBondContact O-CB 3.29Å; R189-Y193 PolarHBondContact O-N 3.08Å; R189-L486 HydrophobicContact CB-CD1 4.16Å
190	L	98.8	Very high	98.1	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-48	175	179.8	60.2	0	0	0	111.2	Y185 T186 Y187 S188 T192 Y193 L194 P284 M285	Y185-L190 HydrophobicContact CE1-CB 3.89Å; Y185-L190 HydrophobicContact CE1-CD1 4.31Å; T186-L190 PolarHBondContact O-N 2.88Å; T186-L190 VanDerWaalsContact O-N 3.16Å; Y187-L190 WeakPolarHBondContact O-CA 3.49Å; Y187-L190 VanDerWaalsContact O-CB 3.3Å; Y187-L190 WeakPolarHBondContact O-CB 3.32Å; Y187-L190 PolarHBondContact O-N 2.99Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.38Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.67Å; L190-Y193 HydrophobicContact CD1-CD1 4.25Å; L190-Y193 PolarHBondContact O-N 3.04Å; L190-L194 HydrophobicContact CD1-CD1 3.9Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 3.93Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.32Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.79Å; L190-P284 HydrophobicContact CD1-CB 3.91Å; L190-P284 HydrophobicContact CD1-CG 4.01Å; L190-P284 HydrophobicContact CD2-CB 4.24Å; L190-P284 HydrophobicContact CD2-CG 4.05Å; L190-M285 HydrophobicContact CB-CE 4.23Å; L190-M285 HydrophobicContact CD2-CB 3.41Å; L190-M285 VanDerWaalsContact CD2-CB 3.41Å; L190-M285 HydrophobicContact CD2-CE 3.9Å; L190-M285 HydrophobicContact CD2-CG 4.36Å; L190-M285 HydrophobicContact CD2-SD 4.15Å
191	Q	98.8	Very high	97.9	Very high	36 Å²	36	37.9 Å²	37.9	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-42.3	-178.1	-65	-58.9	-69.5	0	0	111.9	Y187 S188 R189 G195 R207 D220	Y187-Q191 HydrophobicContact CD1-CG 4.01Å; Y187-Q191 HydrophobicContact CD2-CG 4.18Å; Y187-Q191 HydrophobicContact CE1-CG 3.55Å; Y187-Q191 HydrophobicContact CE2-CG 3.77Å; Y187-Q191 VanDerWaalsContact CE2-NE2 3.29Å; Y187-Q191 HydrophobicContact CG-CG 4.32Å; Y187-Q191 VanDerWaalsContact CZ-CD 3.42Å; Y187-Q191 VanDerWaalsContact CZ-CG 3.42Å; Y187-Q191 WeakPolarHBondContact O-CG 3.48Å; Y187-Q191 PolarHBondContact O-N 3.48Å; Y187-Q191 PolarHBondContact OH-OE1 3.39Å; S188-Q191 PolarHBondContact O-N 3.45Å; R189-Q191 VanDerWaalsContact C-N 3.35Å; R189-Q191 PolarHBondContact O-N 3Å; Q191-G195 PolarHBondContact O-N 3.32Å; Q191-R207 VanDerWaalsContact CD-NH2 3.26Å; Q191-D220 PolarHBondContact NE2-OD2 3.13Å; Q191-D220 PolarHBondContact OE1-OD2 2.86Å
192	T	98.6	Very high	97.9	Very high	56 Å²	56	41 Å²	41	34%	0.344	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-47.8	174.2	-61.2	0	0	0	0	111.3	S188 R189 L190 L194 G195 I196	S188-T192 PolarHBondContact O-N 2.75Å; S188-T192 PolarHBondContact O-OG1 3.14Å; S188-T192 VanDerWaalsContact O-OG1 3.11Å; R189-T192 PolarHBondContact O-N 2.81Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.67Å; T192-L194 PolarHBondContact O-N 3.02Å; T192-G195 PolarHBondContact O-N 2.75Å; T192-I196 HydrophobicContact CG2-CD1 3.96Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.29Å
193	Y	98.6	Very high	97.9	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-51.5	177.5	163.8	-115	0	0	0	112	R189 L190 G195 I196 L197 Q258 I261 D262 S482	R189-Y193 WeakPolarHBondContact O-CB 3.29Å; R189-Y193 PolarHBondContact O-N 3.08Å; L190-Y193 HydrophobicContact CD1-CD1 4.25Å; L190-Y193 PolarHBondContact O-N 3.04Å; Y193-G195 VanDerWaalsContact C-N 3.32Å; Y193-G195 PolarHBondContact O-N 3.03Å; Y193-I196 PolarHBondContact O-N 2.79Å; Y193-L197 HydrophobicContact CE1-CD1 3.99Å; Y193-L197 HydrophobicContact CE2-CD1 3.91Å; Y193-L197 HydrophobicContact CE2-CD2 4.3Å; Y193-L197 HydrophobicContact CE2-CG 4Å; Y193-L197 PolarHBondContact O-N 2.76Å; Y193-L197 VanDerWaalsContact O-N 3.08Å; Y193-Q258 HydrophobicContact CD1-CG 4.5Å; Y193-Q258 HydrophobicContact CE1-CB 4.43Å; Y193-Q258 HydrophobicContact CE1-CG 3.97Å; Y193-Q258 HydrophobicContact CE2-CG 3.99Å; Y193-Q258 PolarHBondContact OH-O 2.67Å; Y193-I261 HydrophobicContact CE1-CD1 4.32Å; Y193-I261 HydrophobicContact CE1-CG2 4.3Å; Y193-I261 WeakPolarHBondContact OH-CB 3.25Å; Y193-I261 WeakPolarHBondContact OH-CG2 3.42Å; Y193-D262 WeakPolarHBondContact CE2-OD1 3.45Å; Y193-D262 VanDerWaalsContact CZ-OD1 3.3Å; Y193-D262 PolarHBondContact OH-OD1 2.84Å; Y193-S482 WeakPolarHBondContact CE2-OG 3.37Å
194	L	98.6	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-37.8	178.7	-66.1	178.2	0	0	0	112.1	L190 T192 I196 L197 E198 D220 I222 P284	L190-L194 HydrophobicContact CD1-CD1 3.9Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 3.93Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.32Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.79Å; T192-L194 PolarHBondContact O-N 3.02Å; L194-I196 VanDerWaalsContact C-N 3.32Å; L194-I196 PolarHBondContact O-N 3.31Å; L194-L197 HydrophobicContact CD2-CD1 4.46Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-E198 PolarHBondContact O-N 3.32Å; L194-D220 HydrophobicContact CD1-CB 4Å; L194-I222 HydrophobicContact CD1-CD1 4.05Å; L194-I222 HydrophobicContact CD2-CD1 3.71Å; L194-I222 HydrophobicContact CD2-CG1 3.93Å; L194-I222 HydrophobicContact CG-CD1 4.41Å; L194-P284 HydrophobicContact CD1-CG 4.16Å
195	G	98.3	Very high	97.9	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-40.2	175	0	0	0	0	0	112.2	Q191 T192 Y193 E198 T199	Q191-G195 PolarHBondContact O-N 3.32Å; T192-G195 PolarHBondContact O-N 2.75Å; Y193-G195 VanDerWaalsContact C-N 3.32Å; Y193-G195 PolarHBondContact O-N 3.03Å; G195-E198 WeakPolarHBondContact O-CB 3.4Å; G195-E198 PolarHBondContact O-N 2.72Å; G195-T199 WeakPolarHBondContact O-CG2 3.32Å; G195-T199 PolarHBondContact O-N 3.43Å; G195-T199 VanDerWaalsContact O-N 3.11Å
196	I	97.9	Very high	97.9	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.195	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-41.6	174.8	-67	164.5	0	0	0	111.1	T192 Y193 L194 E198 T199 K200 Y484	T192-I196 HydrophobicContact CG2-CD1 3.96Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.29Å; Y193-I196 PolarHBondContact O-N 2.79Å; L194-I196 VanDerWaalsContact C-N 3.32Å; L194-I196 PolarHBondContact O-N 3.31Å; I196-E198 VanDerWaalsContact C-N 3.29Å; I196-E198 PolarHBondContact O-N 2.72Å; I196-T199 PolarHBondContact O-N 3Å; I196-T199 VanDerWaalsContact O-N 3.15Å; I196-T199 PolarHBondContact O-OG1 2.98Å; I196-K200 PolarHBondContact O-N 3.27Å; I196-Y484 HydrophobicContact CB-CD2 4.49Å; I196-Y484 HydrophobicContact CB-CE2 4.1Å; I196-Y484 HydrophobicContact CD1-CD1 3.59Å; I196-Y484 HydrophobicContact CD1-CD2 3.34Å; I196-Y484 HydrophobicContact CD1-CE1 3.97Å; I196-Y484 HydrophobicContact CD1-CE2 3.67Å; I196-Y484 HydrophobicContact CD1-CG 3.28Å; I196-Y484 HydrophobicContact CG1-CE2 4.48Å; I196-Y484 HydrophobicContact CG2-CD2 4.42Å; I196-Y484 HydrophobicContact CG2-CE1 4.27Å; I196-Y484 HydrophobicContact CG2-CE2 3.62Å
197	L	97.6	Very high	97.9	Very high	10 Å²	10	53 Å²	53	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-38.7	173.6	-68.8	-176.1	0	0	0	112.6	Y193 L194 T199 K200 Y202 F205 I261 V265	Y193-L197 HydrophobicContact CE1-CD1 3.99Å; Y193-L197 HydrophobicContact CE2-CD1 3.91Å; Y193-L197 HydrophobicContact CE2-CD2 4.3Å; Y193-L197 HydrophobicContact CE2-CG 4Å; Y193-L197 PolarHBondContact O-N 2.76Å; Y193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 HydrophobicContact CD2-CD1 4.46Å; L194-L197 PolarHBondContact O-N 3.45Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.04Å; L197-K200 WeakPolarHBondContact O-CB 3.19Å; L197-K200 PolarHBondContact O-N 3.36Å; L197-K200 VanDerWaalsContact O-N 3.13Å; L197-Y202 HydrophobicContact CD2-CE2 4.45Å; L197-F205 HydrophobicContact CB-CE1 3.98Å; L197-F205 HydrophobicContact CB-CE2 4.07Å; L197-F205 HydrophobicContact CB-CZ 3.66Å; L197-F205 HydrophobicContact CD1-CE2 3.73Å; L197-F205 HydrophobicContact CD1-CZ 3.99Å; L197-I261 HydrophobicContact CD1-CG2 3.6Å; L197-V265 HydrophobicContact CD2-CG2 4.19Å
198	E	96.6	Very high	97.9	Very high	83 Å²	83	54.6 Å²	54.6	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-39.9	174.2	-72	177.3	114	0	0	112	L194 G195 I196 K200 Q201 F205 R207	L194-E198 PolarHBondContact O-N 3.32Å; G195-E198 WeakPolarHBondContact O-CB 3.4Å; G195-E198 PolarHBondContact O-N 2.72Å; I196-E198 VanDerWaalsContact C-N 3.29Å; I196-E198 PolarHBondContact O-N 2.72Å; E198-K200 PolarHBondContact O-N 2.92Å; E198-K200 VanDerWaalsContact O-N 3.15Å; E198-Q201 PolarHBondContact O-N 3.43Å; E198-F205 HydrophobicContact CG-CE1 3.85Å; E198-R207 HydrophobicContact CG-CB 4.05Å; E198-R207 WeakPolarHBondContact OE1-CD 3.34Å; E198-R207 WeakPolarHBondContact OE2-CD 3.28Å; E198-R207 IonicContact OE2-CZ 2.7Å; E198-R207 IonicContact OE2-NE 3.54Å; E198-R207 IonicContact OE2-NH1 2.75Å; E198-R207 PolarHBondContact OE2-NH1 3.02Å
199	T	97.6	Very high	97.9	Very high	100 Å²	100	56.5 Å²	56.5	61%	0.613	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-20	176.1	70.3	0	0	0	0	114.2	G195 I196 L197 Q201	G195-T199 WeakPolarHBondContact O-CG2 3.32Å; G195-T199 PolarHBondContact O-N 3.43Å; G195-T199 VanDerWaalsContact O-N 3.11Å; I196-T199 PolarHBondContact O-N 3Å; I196-T199 VanDerWaalsContact O-N 3.15Å; I196-T199 PolarHBondContact O-OG1 2.98Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.04Å; T199-Q201 VanDerWaalsContact C-N 3.27Å
200	K	96.9	Very high	97.9	Very high	112 Å²	112	56.6 Å²	56.6	49%	0.487	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.5	176.8	-60.4	-61.4	-176.7	179.7	0	113	I196 L197 E198 Y202	I196-K200 PolarHBondContact O-N 3.27Å; L197-K200 WeakPolarHBondContact O-CB 3.19Å; L197-K200 PolarHBondContact O-N 3.36Å; L197-K200 VanDerWaalsContact O-N 3.13Å; E198-K200 PolarHBondContact O-N 2.92Å; E198-K200 VanDerWaalsContact O-N 3.15Å; K200-Y202 HydrophobicContact CB-CD2 3.75Å; K200-Y202 HydrophobicContact CB-CE1 4.4Å; K200-Y202 HydrophobicContact CB-CE2 3.39Å; K200-Y202 HydrophobicContact CB-CG 4.38Å; K200-Y202 HydrophobicContact CG-CE2 3.85Å; K200-Y202 PolarHBondContact O-N 3.46Å; K200-Y202 VanDerWaalsContact O-N 3.16Å
201	Q	94.4	Very high	97.9	Very high	171 Å²	171	57.2 Å²	57.2	80%	0.799	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.6	176.3	-58.5	-176.8	-45.3	0	0	114	E198 T199 T203	E198-Q201 PolarHBondContact O-N 3.43Å; T199-Q201 VanDerWaalsContact C-N 3.27Å; Q201-T203 PolarHBondContact O-N 3.07Å
202	Y	97.2	Very high	97.9	Very high	65 Å²	65	58.7 Å²	58.7	26%	0.255	30%	0.304	S	S	.	.			trans	-58.4	126.9	173.9	-62.6	-65.3	0	0	0	110	L197 K200 H204 F205 V265	L197-Y202 HydrophobicContact CD2-CE2 4.45Å; K200-Y202 HydrophobicContact CB-CD2 3.75Å; K200-Y202 HydrophobicContact CB-CE1 4.4Å; K200-Y202 HydrophobicContact CB-CE2 3.39Å; K200-Y202 HydrophobicContact CB-CG 4.38Å; K200-Y202 HydrophobicContact CG-CE2 3.85Å; K200-Y202 PolarHBondContact O-N 3.46Å; K200-Y202 VanDerWaalsContact O-N 3.16Å; Y202-H204 AromaticContact CD1-CE1 3.83Å; Y202-H204 AromaticContact CD1-NE2 3.94Å; Y202-H204 AromaticContact CG-NE2 3.91Å; Y202-H204 PolarHBondContact O-N 2.65Å; Y202-H204 VanDerWaalsContact O-N 3.14Å; Y202-F205 HydrophobicContact CD2-CB 4.41Å; Y202-F205 PolarHBondContact O-N 3.07Å; Y202-F205 VanDerWaalsContact O-N 3.1Å; Y202-V265 HydrophobicContact CD2-CB 4.24Å; Y202-V265 HydrophobicContact CE2-CB 4.18Å; Y202-V265 HydrophobicContact CE2-CG2 4.2Å
203	T	97.1	Very high	97.8	Very high	118 Å²	118	56.3 Å²	56.3	72%	0.724	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.2	178.6	57.5	0	0	0	0	112.3	Q201 P227	Q201-T203 PolarHBondContact O-N 3.07Å; T203-P227 WeakPolarHBondContact O-CG 3.34Å
204	H	98.1	Very high	97.8	Very high	21 Å²	21	58.6 Å²	58.6	10%	0.097	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8	179.4	55.6	-96.5	0	0	0	115.1	Y202 I224 T225 V265 R275	Y202-H204 AromaticContact CD1-CE1 3.83Å; Y202-H204 AromaticContact CD1-NE2 3.94Å; Y202-H204 AromaticContact CG-NE2 3.91Å; Y202-H204 PolarHBondContact O-N 2.65Å; Y202-H204 VanDerWaalsContact O-N 3.14Å; H204-I224 CarbonylContact O-C 3.6Å; H204-I224 VanDerWaalsContact O-CA 3.27Å; H204-I224 WeakPolarHBondContact O-CA 3.41Å; H204-T225 WeakPolarHBondContact CA-O 3.16Å; H204-T225 WeakPolarHBondContact CB-O 3.23Å; H204-T225 PolarHBondContact O-N 2.75Å; H204-V265 PolarHBondContact NE2-O 2.68Å; H204-R275 WeakPolarHBondContact CD2-CD 3.49Å; H204-R275 PolarHBondContact CD2-NE 3.17Å
205	F	98.6	Very high	97.8	Very high	22 Å²	22	62 Å²	62	10%	0.096	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.3	179.5	177.4	-92.3	0	0	0	110.8	L197 E198 Y202 R207 I222 I224 V265	L197-F205 HydrophobicContact CB-CE1 3.98Å; L197-F205 HydrophobicContact CB-CE2 4.07Å; L197-F205 HydrophobicContact CB-CZ 3.66Å; L197-F205 HydrophobicContact CD1-CE2 3.73Å; L197-F205 HydrophobicContact CD1-CZ 3.99Å; E198-F205 HydrophobicContact CG-CE1 3.85Å; Y202-F205 HydrophobicContact CD2-CB 4.41Å; Y202-F205 PolarHBondContact O-N 3.07Å; Y202-F205 VanDerWaalsContact O-N 3.1Å; F205-R207 HydrophobicContact CE1-CB 4.12Å; F205-R207 HydrophobicContact CZ-CB 4.36Å; F205-I222 HydrophobicContact CD2-CG2 3.85Å; F205-I222 HydrophobicContact CE2-CD1 4.46Å; F205-I222 HydrophobicContact CE2-CG2 3.33Å; F205-I222 HydrophobicContact CZ-CD1 4.13Å; F205-I222 HydrophobicContact CZ-CG2 4.04Å; F205-I224 HydrophobicContact CD2-CG1 4.18Å; F205-V265 HydrophobicContact CD2-CG1 3.68Å; F205-V265 HydrophobicContact CE2-CG1 4.31Å
206	K	98.2	Very high	97.7	Very high	107 Å²	107	67 Å²	67	47%	0.465	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.6	172.5	-167.7	-172.7	-176	-165.2	0	109.9	E208 I222 T223	K206-E208 HydrophobicContact CD-CG 3.88Å; K206-E208 VanDerWaalsContact CE-OE1 3.29Å; K206-E208 WeakPolarHBondContact CE-OE1 3.37Å; K206-E208 HydrophobicContact CG-CG 3.97Å; K206-E208 IonicContact NZ-OE1 2.84Å; K206-E208 PolarHBondContact NZ-OE1 3.38Å; K206-E208 IonicContact NZ-OE2 2.88Å; K206-I222 CarbonylContact O-C 3.58Å; K206-I222 WeakPolarHBondContact O-CA 3.25Å; K206-T223 PolarHBondContact N-O 3.43Å; K206-T223 PolarHBondContact O-N 3.4Å
207	R	98.4	Very high	97.8	Very high	33 Å²	33	66.6 Å²	66.6	13%	0.125	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.3	170.2	-179.6	-170.6	-173.7	179.2	2.2	109.4	Q191 E198 F205 D220 I222	Q191-R207 VanDerWaalsContact CD-NH2 3.26Å; E198-R207 HydrophobicContact CG-CB 4.05Å; E198-R207 WeakPolarHBondContact OE1-CD 3.34Å; E198-R207 WeakPolarHBondContact OE2-CD 3.28Å; E198-R207 IonicContact OE2-CZ 2.7Å; E198-R207 IonicContact OE2-NE 3.54Å; E198-R207 IonicContact OE2-NH1 2.75Å; E198-R207 PolarHBondContact OE2-NH1 3.02Å; F205-R207 HydrophobicContact CE1-CB 4.12Å; F205-R207 HydrophobicContact CZ-CB 4.36Å; R207-D220 IonicContact CZ-OD1 3.11Å; R207-D220 IonicContact CZ-OD2 3.23Å; R207-D220 VanDerWaalsContact NE-CG 3.31Å; R207-D220 IonicContact NE-OD1 3.16Å; R207-D220 PolarHBondContact NE-OD1 3.45Å; R207-D220 IonicContact NE-OD2 2.74Å; R207-D220 IonicContact NH2-OD1 2.65Å; R207-D220 PolarHBondContact NH2-OD1 2.93Å; R207-D220 IonicContact NH2-OD2 3.23Å; R207-D220 PolarHBondContact NH2-OD2 2.99Å; R207-I222 HydrophobicContact CB-CD1 3.83Å; R207-I222 HydrophobicContact CG-CD1 3.64Å
208	E	98.3	Very high	97.8	Very high	58 Å²	58	70 Å²	70	27%	0.271	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.2	-177.2	-61.2	178.6	100.6	0	0	110.3	K206 L210 D220 L221 T223 K281	K206-E208 HydrophobicContact CD-CG 3.88Å; K206-E208 VanDerWaalsContact CE-OE1 3.29Å; K206-E208 WeakPolarHBondContact CE-OE1 3.37Å; K206-E208 HydrophobicContact CG-CG 3.97Å; K206-E208 IonicContact NZ-OE1 2.84Å; K206-E208 PolarHBondContact NZ-OE1 3.38Å; K206-E208 IonicContact NZ-OE2 2.88Å; E208-L210 PolarHBondContact O-N 3.49Å; E208-D220 WeakPolarHBondContact O-CA 3.42Å; E208-L221 HydrophobicContact CB-CB 4.45Å; E208-L221 PolarHBondContact N-O 2.86Å; E208-L221 PolarHBondContact O-N 2.93Å; E208-T223 PolarHBondContact OE2-OG1 3.07Å; E208-K281 IonicContact OE2-NZ 3.57Å
209	L	98.7	Very high	97.9	Very high	83 Å²	83	66.1 Å²	66.1	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.5	168.1	-177.3	60.7	0	0	0	108.5	G211 L212 R218	L209-G211 WeakPolarHBondContact CD1-O 3.23Å; L209-L212 HydrophobicContact CD1-CD2 4.03Å; L209-L212 HydrophobicContact CD2-CD2 4.17Å; L209-L212 HydrophobicContact CD2-CG 4.49Å; L209-R218 HydrophobicContact CD1-CB 3.69Å; L209-R218 HydrophobicContact CD1-CG 3.76Å
210	L	98.7	Very high	98	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.209	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-32.2	176.2	-178.5	54.7	0	0	0	112.1	E208 L219 L221 V283 A322 L326	E208-L210 PolarHBondContact O-N 3.49Å; L210-L219 HydrophobicContact CB-CD2 4.12Å; L210-L219 HydrophobicContact CB-CG 4.21Å; L210-L219 WeakPolarHBondContact CB-O 3.28Å; L210-L219 HydrophobicContact CD2-CD2 3.78Å; L210-L219 HydrophobicContact CD2-CG 4.31Å; L210-L219 HydrophobicContact CG-CD2 3.95Å; L210-L219 PolarHBondContact N-O 2.87Å; L210-L221 HydrophobicContact CB-CB 4.01Å; L210-L221 HydrophobicContact CD2-CB 4.47Å; L210-V283 HydrophobicContact CD2-CG2 3.91Å; L210-A322 HydrophobicContact CG-CB 4.17Å; L210-L326 HydrophobicContact CD1-CB 4.11Å; L210-L326 HydrophobicContact CD1-CD2 3.82Å; L210-L326 HydrophobicContact CD1-CG 4.49Å; L210-L326 HydrophobicContact CD2-CD2 4.13Å
211	G	98.2	Very high	98.1	Very high	20 Å²	20	56.6 Å²	56.6	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-177.7	-179.7	0	0	0	0	0	111.4	L209 L219	L209-G211 WeakPolarHBondContact CD1-O 3.23Å; G211-L219 WeakPolarHBondContact O-CB 3.37Å; G211-L219 PolarHBondContact O-N 2.95Å
212	L	98.6	Very high	98.3	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.356	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.4	177.6	-64.9	172	0	0	0	110.1	L209 R217 P318	L209-L212 HydrophobicContact CD1-CD2 4.03Å; L209-L212 HydrophobicContact CD2-CD2 4.17Å; L209-L212 HydrophobicContact CD2-CG 4.49Å; L212-R217 CarbonylContact C-O 3.53Å; L212-R217 WeakPolarHBondContact CA-O 3.44Å; L212-P318 WeakPolarHBondContact O-CB 3.43Å
213	T	98.5	Very high	98.4	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.037	23%	0.226	C	C	.	.			trans	-74.7	177.1	168.1	68.8	0	0	0	0	111.1	Q215 Q216 R217 P288 D289 T319	T213-Q215 VanDerWaalsContact C-N 3.28Å; T213-Q215 PolarHBondContact O-N 2.97Å; T213-Q216 PolarHBondContact O-N 2.7Å; T213-Q216 PolarHBondContact O-NE2 3.13Å; T213-Q216 PolarHBondContact OG1-N 3.22Å; T213-R217 HydrophobicContact CG2-CB 4.13Å; T213-R217 PolarHBondContact N-O 3.45Å; T213-R217 WeakPolarHBondContact OG1-CB 3.45Å; T213-R217 PolarHBondContact OG1-N 3.25Å; T213-P288 HydrophobicContact CG2-CB 3.81Å; T213-P288 HydrophobicContact CG2-CG 3.67Å; T213-D289 VanDerWaalsContact CB-CG 3.41Å; T213-D289 VanDerWaalsContact CB-OD1 3.25Å; T213-D289 WeakPolarHBondContact CB-OD1 3.19Å; T213-D289 VanDerWaalsContact CB-OD2 3.26Å; T213-D289 WeakPolarHBondContact CB-OD2 3.46Å; T213-D289 PolarHBondContact OG1-OD1 3.14Å; T213-D289 PolarHBondContact OG1-OD2 3.13Å; T213-T319 HydrophobicContact CG2-CG2 3.79Å
214	I	97.6	Very high	98.4	Very high	52 Å²	52	40 Å²	40	27%	0.267	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-43	177.3	-62.6	160.3	0	0	0	110.1	Q216 D289 L300 M301 P318	I214-Q216 PolarHBondContact O-N 2.79Å; I214-Q216 PolarHBondContact O-NE2 3.17Å; I214-D289 PolarHBondContact N-OD2 3.41Å; I214-L300 HydrophobicContact CB-CD2 3.9Å; I214-L300 HydrophobicContact CD1-CD2 4.37Å; I214-L300 HydrophobicContact CG2-CD2 3.63Å; I214-M301 HydrophobicContact CD1-CE 3.64Å; I214-M301 HydrophobicContact CD1-CG 3.71Å; I214-M301 HydrophobicContact CD1-SD 3.77Å; I214-M301 HydrophobicContact CG1-CE 4.29Å; I214-M301 HydrophobicContact CG2-CE 4.31Å; I214-P318 HydrophobicContact CG1-CG 4.17Å
215	Q	97.5	Very high	98.5	Very high	70 Å²	70	39.1 Å²	39.1	33%	0.327	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	24.3	174.7	-69	176.5	71.6	0	0	113.8	T213 R217 D289 L300	T213-Q215 VanDerWaalsContact C-N 3.28Å; T213-Q215 PolarHBondContact O-N 2.97Å; Q215-R217 VanDerWaalsContact NE2-NH1 3.13Å; Q215-R217 PolarHBondContact O-N 2.97Å; Q215-R217 VanDerWaalsContact O-N 3.14Å; Q215-R217 VanDerWaalsContact OE1-NH2 3.15Å; Q215-D289 PolarHBondContact N-OD2 3.38Å; Q215-L300 HydrophobicContact CG-CD2 3.83Å
216	Q	98	Very high	98.4	Very high	131 Å²	131	42.2 Å²	42.2	61%	0.612	20%	0.202	S	C	*	.			trans	60.6	25.3	173.7	-51.6	-59.3	-61.2	0	0	114.6	T213 I214	T213-Q216 PolarHBondContact O-N 2.7Å; T213-Q216 PolarHBondContact O-NE2 3.13Å; T213-Q216 PolarHBondContact OG1-N 3.22Å; I214-Q216 PolarHBondContact O-N 2.79Å; I214-Q216 PolarHBondContact O-NE2 3.17Å
217	R	98.5	Very high	98.2	Very high	29 Å²	29	39.5 Å²	39.5	11%	0.109	20%	0.195	C	C	.	.			trans	-79.7	150.4	168.9	-61.8	-173.5	-177.1	78.8	11.5	109.6	Y187 L212 T213 Q215 P288 D289 Y292	Y187-R217 HydrophobicContact CE1-CB 4.19Å; Y187-R217 HydrophobicContact CE1-CG 4.2Å; Y187-R217 HydrophobicContact CE2-CB 4.26Å; L212-R217 CarbonylContact C-O 3.53Å; L212-R217 WeakPolarHBondContact CA-O 3.44Å; T213-R217 HydrophobicContact CG2-CB 4.13Å; T213-R217 PolarHBondContact N-O 3.45Å; T213-R217 WeakPolarHBondContact OG1-CB 3.45Å; T213-R217 PolarHBondContact OG1-N 3.25Å; Q215-R217 VanDerWaalsContact NE2-NH1 3.13Å; Q215-R217 PolarHBondContact O-N 2.97Å; Q215-R217 VanDerWaalsContact O-N 3.14Å; Q215-R217 VanDerWaalsContact OE1-NH2 3.15Å; R217-P288 HydrophobicContact CB-CB 3.92Å; R217-D289 IonicContact CZ-OD1 2.81Å; R217-D289 IonicContact NH1-OD1 3.6Å; R217-D289 PolarHBondContact NH1-OD1 2.74Å; R217-Y292 VanDerWaalsContact CZ-CD1 3.49Å; R217-Y292 VanDerWaalsContact NE-CD2 3.34Å; R217-Y292 VanDerWaalsContact NE-CG 3.27Å
218	R	98.6	Very high	98	Very high	82 Å²	82	40.3 Å²	40.3	31%	0.309	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.2	-178.5	-62.5	178.3	56.7	93	0.1	110.4	Y187 L209 D220	Y187-R218 WeakPolarHBondContact OH-CB 3.19Å; Y187-R218 PolarHBondContact OH-N 2.77Å; L209-R218 HydrophobicContact CD1-CB 3.69Å; L209-R218 HydrophobicContact CD1-CG 3.76Å; R218-D220 IonicContact CZ-OD1 2.65Å; R218-D220 IonicContact NE-OD1 3.96Å; R218-D220 PolarHBondContact NE-OD1 3.03Å; R218-D220 IonicContact NH2-OD1 3.9Å; R218-D220 PolarHBondContact NH2-OD1 3.5Å
219	L	98.9	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	103.1	155.9	-174.1	69.7	0	0	0	107.2	L210 G211 V283 M285 T319 A322	L210-L219 HydrophobicContact CB-CD2 4.12Å; L210-L219 HydrophobicContact CB-CG 4.21Å; L210-L219 WeakPolarHBondContact CB-O 3.28Å; L210-L219 HydrophobicContact CD2-CD2 3.78Å; L210-L219 HydrophobicContact CD2-CG 4.31Å; L210-L219 HydrophobicContact CG-CD2 3.95Å; L210-L219 PolarHBondContact N-O 2.87Å; G211-L219 WeakPolarHBondContact O-CB 3.37Å; G211-L219 PolarHBondContact O-N 2.95Å; L219-V283 HydrophobicContact CD1-CG1 3.56Å; L219-V283 HydrophobicContact CG-CG1 4.09Å; L219-M285 VanDerWaalsContact CD1-O 3.29Å; L219-M285 WeakPolarHBondContact CD1-O 3.14Å; L219-T319 HydrophobicContact CB-CG2 4.41Å; L219-T319 HydrophobicContact CD1-CG2 3.94Å; L219-T319 HydrophobicContact CD2-CG2 4.14Å; L219-T319 HydrophobicContact CG-CG2 4.41Å; L219-A322 HydrophobicContact CD2-CB 4.26Å
220	D	98.9	Very high	97.2	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.9	179	-69.4	-65.9	0	0	0	111.2	Q191 L194 R207 E208 R218 P284	Q191-D220 PolarHBondContact NE2-OD2 3.13Å; Q191-D220 PolarHBondContact OE1-OD2 2.86Å; L194-D220 HydrophobicContact CD1-CB 4Å; R207-D220 IonicContact CZ-OD1 3.11Å; R207-D220 IonicContact CZ-OD2 3.23Å; R207-D220 VanDerWaalsContact NE-CG 3.31Å; R207-D220 IonicContact NE-OD1 3.16Å; R207-D220 PolarHBondContact NE-OD1 3.45Å; R207-D220 IonicContact NE-OD2 2.74Å; R207-D220 IonicContact NH2-OD1 2.65Å; R207-D220 PolarHBondContact NH2-OD1 2.93Å; R207-D220 IonicContact NH2-OD2 3.23Å; R207-D220 PolarHBondContact NH2-OD2 2.99Å; E208-D220 WeakPolarHBondContact O-CA 3.42Å; R218-D220 IonicContact CZ-OD1 2.65Å; R218-D220 IonicContact NE-OD1 3.96Å; R218-D220 PolarHBondContact NE-OD1 3.03Å; R218-D220 IonicContact NH2-OD1 3.9Å; R218-D220 PolarHBondContact NH2-OD1 3.5Å; D220-P284 WeakPolarHBondContact O-CD 3.42Å
221	L	98.9	Very high	96.7	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.3	165	173.1	70.3	0	0	0	108.4	E208 L210 F241 K281 V283 L326	E208-L221 HydrophobicContact CB-CB 4.45Å; E208-L221 PolarHBondContact N-O 2.86Å; E208-L221 PolarHBondContact O-N 2.93Å; L210-L221 HydrophobicContact CB-CB 4.01Å; L210-L221 HydrophobicContact CD2-CB 4.47Å; L221-F241 HydrophobicContact CD1-CZ 4.45Å; L221-K281 HydrophobicContact CD1-CB 4.22Å; L221-K281 HydrophobicContact CD1-CD 4.14Å; L221-K281 HydrophobicContact CD2-CD 4.25Å; L221-K281 HydrophobicContact CG-CD 4.46Å; L221-V283 HydrophobicContact CD1-CG2 4.05Å; L221-L326 HydrophobicContact CD1-CD2 3.86Å; L221-L326 HydrophobicContact CD2-CD2 3.58Å; L221-L326 HydrophobicContact CG-CD2 4.32Å
222	I	98.8	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.1	172.8	-50.4	-53.7	0	0	0	108.5	L194 F205 K206 R207 I224 K281 I282 P284	L194-I222 HydrophobicContact CD1-CD1 4.05Å; L194-I222 HydrophobicContact CD2-CD1 3.71Å; L194-I222 HydrophobicContact CD2-CG1 3.93Å; L194-I222 HydrophobicContact CG-CD1 4.41Å; F205-I222 HydrophobicContact CD2-CG2 3.85Å; F205-I222 HydrophobicContact CE2-CD1 4.46Å; F205-I222 HydrophobicContact CE2-CG2 3.33Å; F205-I222 HydrophobicContact CZ-CD1 4.13Å; F205-I222 HydrophobicContact CZ-CG2 4.04Å; K206-I222 CarbonylContact O-C 3.58Å; K206-I222 WeakPolarHBondContact O-CA 3.25Å; R207-I222 HydrophobicContact CB-CD1 3.83Å; R207-I222 HydrophobicContact CG-CD1 3.64Å; I222-I224 HydrophobicContact CG2-CD1 4.23Å; I222-I224 HydrophobicContact CG2-CG1 3.9Å; I222-K281 CarbonylContact O-C 3.56Å; I222-K281 WeakPolarHBondContact O-CA 3.46Å; I222-I282 HydrophobicContact CB-CB 4.22Å; I222-I282 PolarHBondContact N-O 2.82Å; I222-I282 PolarHBondContact O-N 3.42Å; I222-P284 HydrophobicContact CG1-CG 4.37Å
223	T	98.7	Very high	94.7	Very high	4 Å²	4	51 Å²	51	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123	170.9	-53.6	0	0	0	0	109	K206 E208 T225 I279 F280 K281	K206-T223 PolarHBondContact N-O 3.43Å; K206-T223 PolarHBondContact O-N 3.4Å; E208-T223 PolarHBondContact OE2-OG1 3.07Å; T223-T225 HydrophobicContact CG2-CG2 4.08Å; T223-I279 HydrophobicContact CG2-CG2 4.02Å; T223-F280 CarbonylContact C-O 3.45Å; T223-F280 VanDerWaalsContact CA-O 3.28Å; T223-F280 WeakPolarHBondContact CA-O 3.37Å; T223-K281 HydrophobicContact CG2-CD 4.1Å; T223-K281 WeakPolarHBondContact OG1-CD 3.22Å; T223-K281 PolarHBondContact OG1-NZ 3.39Å
224	I	98.8	Very high	93.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115	175.2	-53.1	173.1	0	0	0	108.8	H204 F205 I222 I261 M264 V265 R275 F280 I282	H204-I224 CarbonylContact O-C 3.6Å; H204-I224 VanDerWaalsContact O-CA 3.27Å; H204-I224 WeakPolarHBondContact O-CA 3.41Å; F205-I224 HydrophobicContact CD2-CG1 4.18Å; I222-I224 HydrophobicContact CG2-CD1 4.23Å; I222-I224 HydrophobicContact CG2-CG1 3.9Å; I224-I261 HydrophobicContact CD1-CG2 4.15Å; I224-M264 HydrophobicContact CD1-CB 3.73Å; I224-M264 HydrophobicContact CG2-CB 4.22Å; I224-M264 WeakPolarHBondContact CG2-O 3.47Å; I224-V265 HydrophobicContact CD1-CG1 3.67Å; I224-V265 HydrophobicContact CG1-CG1 4.21Å; I224-R275 HydrophobicContact CG2-CG 3.99Å; I224-F280 HydrophobicContact CB-CB 4.26Å; I224-F280 PolarHBondContact N-O 3.46Å; I224-F280 WeakPolarHBondContact O-CD2 3.11Å; I224-F280 PolarHBondContact O-N 2.91Å; I224-I282 HydrophobicContact CD1-CD1 3.84Å; I224-I282 HydrophobicContact CG1-CD1 4.48Å
225	T	98.4	Very high	92.6	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.025	31%	0.307	C	S	.	.	S	Bend	trans	-169.4	156.1	-179.1	-177.8	0	0	0	0	111	H204 T223 N229 L230 L278 I279	H204-T225 WeakPolarHBondContact CA-O 3.16Å; H204-T225 WeakPolarHBondContact CB-O 3.23Å; H204-T225 PolarHBondContact O-N 2.75Å; T223-T225 HydrophobicContact CG2-CG2 4.08Å; T225-N229 WeakPolarHBondContact OG1-CB 3.4Å; T225-N229 PolarHBondContact OG1-ND2 3.3Å; T225-N229 VanDerWaalsContact OG1-ND2 3.13Å; T225-L230 HydrophobicContact CG2-CD1 4.42Å; T225-L230 HydrophobicContact CG2-CD2 3.79Å; T225-L230 HydrophobicContact CG2-CG 3.99Å; T225-L278 PolarHBondContact OG1-O 2.79Å; T225-I279 HydrophobicContact CG2-CG1 4.35Å; T225-I279 HydrophobicContact CG2-CG2 4.37Å
226	H	96.9	Very high	92.1	Very high	86 Å²	86	60.8 Å²	60.8	40%	0.398	31%	0.314	S	S	.	.			trans	-61.8	137.1	166.1	-171.5	-91	0	0	0	110.6	S228 N229 R275	H226-S228 WeakPolarHBondContact ND1-CB 3.3Å; H226-S228 PolarHBondContact ND1-N 3.38Å; H226-S228 PolarHBondContact ND1-OG 3.11Å; H226-S228 PolarHBondContact O-N 2.98Å; H226-S228 VanDerWaalsContact O-N 3.1Å; H226-N229 WeakPolarHBondContact O-CB 3.4Å; H226-N229 PolarHBondContact O-N 3.16Å; H226-R275 WeakPolarHBondContact CB-O 3.14Å; H226-R275 PolarHBondContact N-O 2.83Å
227	P	95.1	Very high	91.8	Very high	50 Å²	50	56.1 Å²	56.1	33%	0.325	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.7	-27.9	-176.2	-29.8	36	0	0	0	115.5	T203 N229 L230	T203-P227 WeakPolarHBondContact O-CG 3.34Å; P227-N229 PolarHBondContact O-N 3.44Å; P227-L230 PolarHBondContact O-N 2.73Å; P227-L230 VanDerWaalsContact O-N 3.14Å
228	S	93.1	Very high	91.7	Very high	51 Å²	51	58.5 Å²	58.5	36%	0.357	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62	-23.3	176.9	64.9	0	0	0	0	113.4	H226 L230 K231	H226-S228 WeakPolarHBondContact ND1-CB 3.3Å; H226-S228 PolarHBondContact ND1-N 3.38Å; H226-S228 PolarHBondContact ND1-OG 3.11Å; H226-S228 PolarHBondContact O-N 2.98Å; H226-S228 VanDerWaalsContact O-N 3.1Å; S228-L230 VanDerWaalsContact C-N 3.29Å; S228-L230 PolarHBondContact O-N 3.35Å; S228-K231 PolarHBondContact O-N 3.44Å
229	N	93.3	Very high	91.6	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-78.3	-13.9	179	-66.7	-30.6	0	0	0	113.2	T225 H226 P227 K231 K237 R275 E276 I279	T225-N229 WeakPolarHBondContact OG1-CB 3.4Å; T225-N229 PolarHBondContact OG1-ND2 3.3Å; T225-N229 VanDerWaalsContact OG1-ND2 3.13Å; H226-N229 WeakPolarHBondContact O-CB 3.4Å; H226-N229 PolarHBondContact O-N 3.16Å; P227-N229 PolarHBondContact O-N 3.44Å; N229-K231 VanDerWaalsContact C-N 3.31Å; N229-K237 HydrophobicContact CB-CD 4.43Å; N229-R275 PolarHBondContact ND2-O 3.5Å; N229-E276 PolarHBondContact ND2-O 2.68Å; N229-E276 VanDerWaalsContact ND2-O 3.12Å; N229-E276 PolarHBondContact OD1-O 2.91Å; N229-I279 HydrophobicContact CB-CD1 4.16Å; N229-I279 HydrophobicContact CB-CG1 3.93Å
230	L	88.3	Confident	91.6	Very high	104 Å²	104	54.7 Å²	54.7	55%	0.545	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-86	-5.2	176.3	-58.1	179.5	0	0	0	112.9	T225 P227 S228	T225-L230 HydrophobicContact CG2-CD1 4.42Å; T225-L230 HydrophobicContact CG2-CD2 3.79Å; T225-L230 HydrophobicContact CG2-CG 3.99Å; P227-L230 PolarHBondContact O-N 2.73Å; P227-L230 VanDerWaalsContact O-N 3.14Å; S228-L230 VanDerWaalsContact C-N 3.29Å; S228-L230 PolarHBondContact O-N 3.35Å
231	K	86.6	Confident	91.6	Very high	150 Å²	150	54.4 Å²	54.4	65%	0.652	29%	0.285	S	S	*	.	S	Bend	trans	-88	138.4	174.4	-60.6	-177.2	-179.6	-177.2	0	109.3	S228 N229 T233	S228-K231 PolarHBondContact O-N 3.44Å; N229-K231 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.13Å
232	E	78.1	Confident	91.6	Very high	171 Å²	171	54 Å²	54	80%	0.799	28%	0.283	S	S	*	.			trans	-62.9	121.7	170.6	-69.1	-178.4	180	0	0	109.2
233	T	77	Confident	91.6	Very high	55 Å²	55	54 Å²	54	34%	0.337	28%	0.283	S	S	.	.			trans	-136.2	158.8	177.6	63.8	0	0	0	0	108.8	K231 N235 K237	K231-T233 PolarHBondContact O-N 3.13Å; T233-N235 PolarHBondContact O-N 2.84Å; T233-N235 VanDerWaalsContact O-N 3.09Å; T233-N235 PolarHBondContact OG1-O 3.03Å; T233-K237 WeakPolarHBondContact OG1-CE 3.4Å; T233-K237 PolarHBondContact OG1-NZ 2.76Å
234	A	71.8	Confident	91.6	Very high	100 Å²	100	53.9 Å²	53.9	83%	0.826	28%	0.282	S	S	*	.	S	Bend	trans	-57.5	-26.7	-179.3	0	0	0	0	0	114.6
235	N	81.5	Confident	91.6	Very high	123 Å²	123	53.9 Å²	53.9	66%	0.658	28%	0.282	S	S	*	.	S	Bend	trans	-89.4	132.5	-179.4	-65.5	-21.4	0	0	0	111.6	T233	T233-N235 PolarHBondContact O-N 2.84Å; T233-N235 VanDerWaalsContact O-N 3.09Å; T233-N235 PolarHBondContact OG1-O 3.03Å
236	K	86.1	Confident	91.6	Very high	111 Å²	111	53.7 Å²	53.7	48%	0.483	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-55.7	137.1	172.1	-69.2	-165	177.1	-157.8	0	111.6	P334 F335 D337	K236-P334 WeakPolarHBondContact CE-O 3.26Å; K236-P334 WeakPolarHBondContact CG-O 3.21Å; K236-F335 CarbonylContact C-O 3.58Å; K236-F335 VanDerWaalsContact CA-O 3.27Å; K236-F335 WeakPolarHBondContact CA-O 3.48Å; K236-D337 HydrophobicContact CB-CB 4.24Å; K236-D337 HydrophobicContact CD-CB 4.28Å
237	K	91.7	Very high	91.7	Very high	34 Å²	34	49.9 Å²	49.9	15%	0.148	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.2	175.6	-53.2	-61.1	-178.5	-178.5	0	110	N229 T233 I279 F335 I336 D337	N229-K237 HydrophobicContact CB-CD 4.43Å; T233-K237 WeakPolarHBondContact OG1-CE 3.4Å; T233-K237 PolarHBondContact OG1-NZ 2.76Å; K237-I279 HydrophobicContact CB-CD1 3.74Å; K237-I279 HydrophobicContact CG-CD1 4.3Å; K237-F335 PolarHBondContact N-O 3.37Å; K237-I336 HydrophobicContact CB-CD1 4.02Å; K237-I336 WeakPolarHBondContact O-CA 3.47Å; K237-D337 PolarHBondContact O-N 2.9Å
238	R	95.5	Very high	91.9	Very high	79 Å²	79	47.7 Å²	47.7	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	-179.8	-69.2	174.9	179.2	90.1	0.9	110.5	L278 I279 D337 N339 I460	R238-L278 HydrophobicContact CB-CD2 3.66Å; R238-I279 PolarHBondContact O-N 2.97Å; R238-D337 CarbonylContact C-O 3.58Å; R238-D337 VanDerWaalsContact CA-O 3.31Å; R238-D337 WeakPolarHBondContact CA-O 3.42Å; R238-D337 HydrophobicContact CG-CB 4.38Å; R238-N339 WeakPolarHBondContact CD-OD1 3.14Å; R238-N339 WeakPolarHBondContact CG-OD1 3.33Å; R238-I460 VanDerWaalsContact CZ-CD1 3.47Å
239	V	97.9	Very high	92.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	176.9	173.2	0	0	0	0	110	I279 K281 L330 I336 D337 V338 N339	V239-I279 CarbonylContact C-O 3.21Å; V239-I279 VanDerWaalsContact CA-O 3.28Å; V239-I279 WeakPolarHBondContact CA-O 3.2Å; V239-I279 HydrophobicContact CG2-CB 4.01Å; V239-I279 HydrophobicContact CG2-CG2 4.34Å; V239-K281 HydrophobicContact CG1-CB 4.39Å; V239-K281 HydrophobicContact CG1-CG 4.04Å; V239-L330 HydrophobicContact CG1-CD1 4.48Å; V239-I336 HydrophobicContact CB-CG2 4.28Å; V239-I336 HydrophobicContact CG2-CD1 4.44Å; V239-I336 HydrophobicContact CG2-CG2 3.57Å; V239-D337 PolarHBondContact N-O 3.19Å; V239-V338 HydrophobicContact CB-CG2 4.39Å; V239-N339 PolarHBondContact O-N 3.43Å
240	V	98.7	Very high	92.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.3	163.9	172.3	0	0	0	0	107.2	V242 I279 F280 K281 F340 F451 Y455	V240-V242 HydrophobicContact CG1-CG2 4.08Å; V240-I279 PolarHBondContact N-O 3.34Å; V240-F280 HydrophobicContact CB-CD1 3.74Å; V240-F280 HydrophobicContact CB-CE1 3.88Å; V240-F280 HydrophobicContact CG1-CD1 3.91Å; V240-F280 HydrophobicContact CG1-CE1 4.06Å; V240-F280 HydrophobicContact CG2-CD1 4.44Å; V240-F280 HydrophobicContact CG2-CE1 4.09Å; V240-F280 WeakPolarHBondContact O-CA 3.4Å; V240-K281 PolarHBondContact O-N 2.7Å; V240-F340 HydrophobicContact CG1-CB 4.23Å; V240-F340 HydrophobicContact CG2-CB 4.4Å; V240-F340 HydrophobicContact CG2-CD2 4.19Å; V240-F451 HydrophobicContact CB-CZ 4.48Å; V240-F451 HydrophobicContact CG1-CE1 3.78Å; V240-F451 HydrophobicContact CG1-CE2 3.81Å; V240-F451 HydrophobicContact CG1-CZ 3.34Å; V240-F451 HydrophobicContact CG2-CD1 4.12Å; V240-F451 HydrophobicContact CG2-CE1 3.88Å; V240-F451 HydrophobicContact CG2-CZ 4.31Å; V240-Y455 HydrophobicContact CG2-CE2 4.29Å
241	F	98.8	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.3	179.7	-151.3	-73.9	0	0	0	110.4	L221 T243 K281 V283 T323 L326 L327 L330 F340 F341 I342	L221-F241 HydrophobicContact CD1-CZ 4.45Å; F241-T243 HydrophobicContact CD1-CG2 3.93Å; F241-T243 HydrophobicContact CE1-CG2 3.66Å; F241-K281 CarbonylContact C-O 3.52Å; F241-K281 VanDerWaalsContact CA-O 3.31Å; F241-K281 WeakPolarHBondContact CA-O 3.39Å; F241-K281 HydrophobicContact CD2-CB 3.47Å; F241-K281 VanDerWaalsContact CD2-CB 3.47Å; F241-K281 HydrophobicContact CD2-CG 4.29Å; F241-K281 HydrophobicContact CE2-CB 3.63Å; F241-K281 HydrophobicContact CE2-CG 4.38Å; F241-K281 HydrophobicContact CG-CB 4.14Å; F241-K281 HydrophobicContact CZ-CB 4.39Å; F241-V283 HydrophobicContact CE1-CG2 4Å; F241-V283 HydrophobicContact CZ-CG2 4.06Å; F241-T323 HydrophobicContact CE1-CG2 3.79Å; F241-T323 HydrophobicContact CZ-CG2 3.98Å; F241-L326 HydrophobicContact CE2-CD2 3.76Å; F241-L326 HydrophobicContact CE2-CG 4.09Å; F241-L326 HydrophobicContact CZ-CD2 3.86Å; F241-L326 HydrophobicContact CZ-CG 4.47Å; F241-L327 HydrophobicContact CB-CD2 3.83Å; F241-L327 HydrophobicContact CD1-CD1 4.23Å; F241-L327 HydrophobicContact CD1-CD2 4.1Å; F241-L327 HydrophobicContact CD1-CG 4.28Å; F241-L327 HydrophobicContact CD2-CD2 3.43Å; F241-L327 VanDerWaalsContact CD2-CD2 3.43Å; F241-L327 HydrophobicContact CD2-CG 3.91Å; F241-L327 HydrophobicContact CE1-CD1 4.26Å; F241-L327 HydrophobicContact CE1-CG 4.29Å; F241-L327 HydrophobicContact CE2-CD2 3.97Å; F241-L327 HydrophobicContact CE2-CG 3.92Å; F241-L327 HydrophobicContact CG-CD1 4.47Å; F241-L327 HydrophobicContact CG-CD2 3.51Å; F241-L327 HydrophobicContact CG-CG 4.1Å; F241-L327 HydrophobicContact CZ-CG 4.11Å; F241-L330 HydrophobicContact CD2-CD1 4.01Å; F241-L330 HydrophobicContact CE2-CD1 3.96Å; F241-F340 PolarHBondContact N-O 3.35Å; F241-F341 HydrophobicContact CB-CD2 4.38Å; F241-F341 HydrophobicContact CD1-CD2 4.09Å; F241-F341 HydrophobicContact CD1-CE2 4.31Å; F241-F341 CarbonylContact O-C 3.58Å; F241-F341 VanDerWaalsContact O-CA 3.29Å; F241-F341 WeakPolarHBondContact O-CA 3.29Å; F241-I342 PolarHBondContact O-N 2.92Å
242	V	98.9	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	-179.8	-178.2	0	0	0	0	109.5	V240 F260 K281 I282 V283 I342 I344	V240-V242 HydrophobicContact CG1-CG2 4.08Å; V242-F260 HydrophobicContact CG2-CE1 3.95Å; V242-F260 HydrophobicContact CG2-CZ 4.17Å; V242-K281 PolarHBondContact N-O 2.6Å; V242-I282 HydrophobicContact CB-CG1 4.34Å; V242-I282 HydrophobicContact CB-CG2 4.29Å; V242-I282 HydrophobicContact CG1-CG2 4.5Å; V242-I282 CarbonylContact O-C 3.6Å; V242-I282 VanDerWaalsContact O-CA 3.24Å; V242-I282 WeakPolarHBondContact O-CA 3.28Å; V242-V283 PolarHBondContact O-N 2.81Å; V242-I342 CarbonylContact C-O 3.56Å; V242-I342 VanDerWaalsContact CA-O 3.31Å; V242-I342 WeakPolarHBondContact CA-O 3.29Å; V242-I344 HydrophobicContact CG1-CD1 3.62Å; V242-I344 HydrophobicContact CG1-CG1 4.09Å
243	T	98.9	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.8	171.1	61.6	0	0	0	0	110.2	F241 V283 L286 T323 F341 I342 D343 I344	F241-T243 HydrophobicContact CD1-CG2 3.93Å; F241-T243 HydrophobicContact CE1-CG2 3.66Å; T243-V283 WeakPolarHBondContact CA-O 3.47Å; T243-V283 HydrophobicContact CG2-CB 4.13Å; T243-L286 HydrophobicContact CG2-CD1 4.13Å; T243-T323 HydrophobicContact CG2-CG2 4.11Å; T243-F341 HydrophobicContact CG2-CE2 3.78Å; T243-F341 HydrophobicContact CG2-CZ 4.35Å; T243-I342 PolarHBondContact N-O 3Å; T243-D343 CarbonylContact O-C 3.5Å; T243-D343 WeakPolarHBondContact O-CA 3.33Å; T243-D343 WeakPolarHBondContact OG1-CA 3.23Å; T243-D343 WeakPolarHBondContact OG1-CB 3.41Å; T243-D343 PolarHBondContact OG1-OD1 2.62Å; T243-I344 PolarHBondContact O-N 2.82Å
244	A	98.9	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.1	174.1	0	0	0	0	0	111.4	V246 C257 V283 M285 L286 I344	A244-V246 VanDerWaalsContact C-N 3.31Å; A244-V246 PolarHBondContact O-N 3.32Å; A244-C257 HydrophobicContact CB-CB 3.79Å; A244-V283 PolarHBondContact N-O 2.73Å; A244-M285 WeakPolarHBondContact O-CA 3.36Å; A244-L286 PolarHBondContact O-N 3.05Å; A244-I344 HydrophobicContact CB-CB 4.05Å
245	R	98.7	Very high	96.8	Very high	1 Å²	1	18 Å²	18	0%	0.004	8%	0.083	C	C	.	.			trans	61.4	41.2	160.4	-177.5	79.5	-98.2	136.7	-60.7	112.3	H247 P248 G249 E250 S253 S254 M285 N287 V291 I344	R245-H247 VanDerWaalsContact C-N 3.35Å; R245-H247 PolarHBondContact NE-O 2.89Å; R245-H247 VanDerWaalsContact NE-O 3.17Å; R245-H247 PolarHBondContact NH1-O 2.8Å; R245-H247 PolarHBondContact NH2-O 2.83Å; R245-H247 VanDerWaalsContact NH2-O 3.11Å; R245-P248 VanDerWaalsContact CZ-C 3.44Å; R245-P248 PolarHBondContact NE-O 2.94Å; R245-P248 PolarHBondContact NH2-O 3.43Å; R245-G249 VanDerWaalsContact NH2-N 3.13Å; R245-E250 PolarHBondContact NH1-O 3.1Å; R245-E250 VanDerWaalsContact NH2-CA 3.32Å; R245-S253 PolarHBondContact N-OG 3.21Å; R245-S253 PolarHBondContact NH1-OG 2.93Å; R245-S254 WeakPolarHBondContact CD-OG 3.25Å; R245-S254 WeakPolarHBondContact CG-OG 3.38Å; R245-M285 HydrophobicContact CB-CB 4.41Å; R245-M285 HydrophobicContact CB-CG 4.36Å; R245-M285 HydrophobicContact CG-CB 4.17Å; R245-M285 HydrophobicContact CG-CE 3.86Å; R245-M285 HydrophobicContact CG-CG 3.68Å; R245-M285 HydrophobicContact CG-SD 4.42Å; R245-N287 PolarHBondContact O-N 2.92Å; R245-V291 HydrophobicContact CG-CG2 3.93Å; R245-I344 PolarHBondContact N-O 3.36Å
246	V	98.8	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-72	-30.6	168.4	59.2	0	0	0	0	111.7	A244 L286 N287 L305 N306 I320 H345	A244-V246 VanDerWaalsContact C-N 3.31Å; A244-V246 PolarHBondContact O-N 3.32Å; V246-L286 HydrophobicContact CB-CB 3.87Å; V246-L286 HydrophobicContact CB-CD1 3.89Å; V246-L286 HydrophobicContact CG2-CB 4.28Å; V246-L286 HydrophobicContact CG2-CD1 4.36Å; V246-N287 WeakPolarHBondContact O-CB 3.49Å; V246-N287 PolarHBondContact O-ND2 3.22Å; V246-N287 VanDerWaalsContact O-ND2 3.16Å; V246-L305 HydrophobicContact CG2-CB 3.58Å; V246-N306 HydrophobicContact CG1-CB 4.12Å; V246-N306 HydrophobicContact CG2-CB 4.06Å; V246-I320 HydrophobicContact CG2-CD1 4.21Å; V246-H345 WeakPolarHBondContact CG1-CE1 3.4Å; V246-H345 WeakPolarHBondContact CG1-NE2 3.06Å
247	H	98.7	Very high	98.2	Very high	5 Å²	5	6.9 Å²	6.9	2%	0.023	3%	0.03	C	C	.	.	S	Bend	trans	-101.3	112.6	174.7	-54.4	160.7	0	0	0	110.6	R245 G249 E250 Y296 R297 D304 N306 H345	R245-H247 VanDerWaalsContact C-N 3.35Å; R245-H247 PolarHBondContact NE-O 2.89Å; R245-H247 VanDerWaalsContact NE-O 3.17Å; R245-H247 PolarHBondContact NH1-O 2.8Å; R245-H247 PolarHBondContact NH2-O 2.83Å; R245-H247 VanDerWaalsContact NH2-O 3.11Å; H247-G249 VanDerWaalsContact C-N 3.29Å; H247-G249 PolarHBondContact O-N 2.6Å; H247-E250 HydrophobicContact CB-CB 4.35Å; H247-E250 HydrophobicContact CB-CG 4.01Å; H247-E250 IonicContact CE1-OE1 3.66Å; H247-E250 IonicContact CG-OE1 3.79Å; H247-E250 IonicContact CG-OE2 3.07Å; H247-E250 IonicContact ND1-OE1 2.77Å; H247-E250 PolarHBondContact ND1-OE1 3.43Å; H247-E250 IonicContact ND1-OE2 3.46Å; H247-E250 PolarHBondContact ND1-OE2 2.68Å; H247-E250 PolarHBondContact O-N 3.41Å; H247-Y296 CarbonylContact C-O 3.56Å; H247-R297 VanDerWaalsContact CD2-CZ 3.48Å; H247-R297 PolarHBondContact CD2-NH1 3.43Å; H247-R297 PolarHBondContact CE1-NH1 3.07Å; H247-R297 PolarHBondContact CE1-NH2 3.11Å; H247-R297 PolarHBondContact ND1-NH1 2.91Å; H247-R297 PolarHBondContact NE2-NH1 3.33Å; H247-R297 PolarHBondContact NE2-NH2 2.88Å; H247-D304 IonicContact CD2-OD1 3.63Å; H247-D304 IonicContact NE2-OD1 3.97Å; H247-N306 WeakPolarHBondContact NE2-CB 3.49Å; H247-H345 AromaticContact CE1-CE1 3.21Å; H247-H345 PolarHBondContact CE1-CE1 3.45Å; H247-H345 AromaticContact CE1-ND1 3.09Å; H247-H345 PolarHBondContact CE1-ND1 2.88Å; H247-H345 AromaticContact ND1-CE1 3.76Å; H247-H345 AromaticContact ND1-ND1 3.32Å; H247-H345 PolarHBondContact ND1-ND1 2.82Å; H247-H345 AromaticContact NE2-CE1 3.48Å; H247-H345 PolarHBondContact NE2-CE1 3.43Å; H247-H345 AromaticContact NE2-ND1 3.82Å
248	P	98.8	Very high	98.5	Very high	4 Å²	4	5.5 Å²	5.5	3%	0.026	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.5	-168.3	-34.6	41.8	0	0	0	119.7	R245 N287 G290 V291 N295 S298	R245-P248 VanDerWaalsContact CZ-C 3.44Å; R245-P248 PolarHBondContact NE-O 2.94Å; R245-P248 PolarHBondContact NH2-O 3.43Å; P248-N287 WeakPolarHBondContact CD-ND2 3.47Å; P248-N287 HydrophobicContact CG-CB 4.22Å; P248-N287 WeakPolarHBondContact CG-ND2 3.29Å; P248-G290 WeakPolarHBondContact CB-O 3.35Å; P248-G290 VanDerWaalsContact CG-C 3.42Å; P248-G290 VanDerWaalsContact CG-CA 3.47Å; P248-V291 HydrophobicContact CB-CG2 4.06Å; P248-N295 CarbonylContact C-O 3.51Å; P248-N295 HydrophobicContact CB-CB 4.07Å; P248-N295 WeakPolarHBondContact CB-O 3.44Å; P248-N295 HydrophobicContact CG-CB 4.15Å; P248-S298 WeakPolarHBondContact CG-O 3.1Å
249	G	98.2	Very high	98.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-10.4	-179.5	0	0	0	0	0	116	R245 H247 T251 N295 Y296 F421	R245-G249 VanDerWaalsContact NH2-N 3.13Å; H247-G249 VanDerWaalsContact C-N 3.29Å; H247-G249 PolarHBondContact O-N 2.6Å; G249-T251 PolarHBondContact O-N 2.98Å; G249-N295 PolarHBondContact N-O 2.59Å; G249-Y296 WeakPolarHBondContact CA-O 3.46Å; G249-Y296 PolarHBondContact N-O 2.75Å; G249-F421 VanDerWaalsContact O-CE1 3.25Å; G249-F421 WeakPolarHBondContact O-CE1 3.37Å; G249-F421 VanDerWaalsContact O-CZ 3.25Å; G249-F421 WeakPolarHBondContact O-CZ 3.37Å
250	E	98.6	Very high	98.7	Very high	12 Å²	12	1.7 Å²	1.7	6%	0.056	1%	0.009	C	C	.	.			trans	-69.6	43.6	172	-69.5	179.2	-165.4	0	0	116.4	R245 H247 P252 S253 H345 A346 F421	R245-E250 PolarHBondContact NH1-O 3.1Å; R245-E250 VanDerWaalsContact NH2-CA 3.32Å; H247-E250 HydrophobicContact CB-CB 4.35Å; H247-E250 HydrophobicContact CB-CG 4.01Å; H247-E250 IonicContact CE1-OE1 3.66Å; H247-E250 IonicContact CG-OE1 3.79Å; H247-E250 IonicContact CG-OE2 3.07Å; H247-E250 IonicContact ND1-OE1 2.77Å; H247-E250 PolarHBondContact ND1-OE1 3.43Å; H247-E250 IonicContact ND1-OE2 3.46Å; H247-E250 PolarHBondContact ND1-OE2 2.68Å; H247-E250 PolarHBondContact O-N 3.41Å; E250-P252 VanDerWaalsContact C-N 3.28Å; E250-P252 WeakPolarHBondContact O-CD 3.49Å; E250-S253 PolarHBondContact O-N 3.09Å; E250-S253 PolarHBondContact O-OG 3.17Å; E250-S253 VanDerWaalsContact O-OG 3.13Å; E250-H345 WeakPolarHBondContact OE2-CA 3.43Å; E250-H345 WeakPolarHBondContact OE2-CB 3.43Å; E250-H345 IonicContact OE2-CG 3.89Å; E250-H345 IonicContact OE2-ND1 4Å; E250-H345 PolarHBondContact OE2-ND1 2.95Å; E250-A346 HydrophobicContact CB-CB 3.61Å; E250-A346 HydrophobicContact CG-CB 4Å; E250-A346 WeakPolarHBondContact CG-O 3.19Å; E250-A346 PolarHBondContact OE2-N 3.49Å; E250-F421 VanDerWaalsContact CA-CZ 3.41Å; E250-F421 HydrophobicContact CB-CZ 4.24Å; E250-F421 HydrophobicContact CG-CE2 4.14Å; E250-F421 HydrophobicContact CG-CZ 4Å
251	T	98.7	Very high	98.7	Very high	3 Å²	3	1.7 Å²	1.7	2%	0.018	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.3	-164.4	59.1	0	0	0	0	116.4	W98 Y183 G249 S253 S254 Y255	W98-T251 HydrophobicContact CH2-CG2 3.56Å; W98-T251 HydrophobicContact CZ2-CG2 4.28Å; W98-T251 HydrophobicContact CZ3-CG2 3.68Å; Y183-T251 WeakPolarHBondContact O-CB 3.25Å; Y183-T251 PolarHBondContact O-OG1 2.98Å; G249-T251 PolarHBondContact O-N 2.98Å; T251-S253 PolarHBondContact O-N 2.89Å; T251-S253 VanDerWaalsContact O-N 3.09Å; T251-S254 WeakPolarHBondContact O-CB 3.32Å; T251-S254 PolarHBondContact O-N 3.05Å; T251-Y255 WeakPolarHBondContact O-CD2 3.25Å
252	P	98.7	Very high	98.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-49.2	-34.5	171.9	-33.7	40.4	0	0	0	114.9	E250 S254 Y255 V256 A346 V419 F421 Y440	E250-P252 VanDerWaalsContact C-N 3.28Å; E250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-S254 PolarHBondContact O-N 3.41Å; P252-Y255 PolarHBondContact O-N 2.97Å; P252-Y255 VanDerWaalsContact O-N 3.07Å; P252-V256 PolarHBondContact O-N 3Å; P252-V256 VanDerWaalsContact O-N 3.08Å; P252-A346 HydrophobicContact CB-CB 3.85Å; P252-A346 HydrophobicContact CG-CB 3.92Å; P252-V419 HydrophobicContact CB-CG1 3.53Å; P252-F421 HydrophobicContact CG-CD1 3.69Å; P252-F421 HydrophobicContact CG-CE1 4.1Å; P252-F421 HydrophobicContact CG-CG 4.32Å; P252-Y440 HydrophobicContact CB-CD1 3.88Å; P252-Y440 HydrophobicContact CB-CD2 4.22Å; P252-Y440 HydrophobicContact CB-CE1 3.59Å; P252-Y440 HydrophobicContact CB-CE2 3.94Å; P252-Y440 HydrophobicContact CB-CG 4.18Å; P252-Y440 HydrophobicContact CG-CE1 3.97Å; P252-Y440 HydrophobicContact CG-CE2 3.85Å; P252-Y440 WeakPolarHBondContact CG-OH 3.09Å
253	S	98.7	Very high	98.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-57.6	-34.3	179.7	73.3	0	0	0	0	112.7	R245 E250 T251 C257 I344	R245-S253 PolarHBondContact N-OG 3.21Å; R245-S253 PolarHBondContact NH1-OG 2.93Å; E250-S253 PolarHBondContact O-N 3.09Å; E250-S253 PolarHBondContact O-OG 3.17Å; E250-S253 VanDerWaalsContact O-OG 3.13Å; T251-S253 PolarHBondContact O-N 2.89Å; T251-S253 VanDerWaalsContact O-N 3.09Å; S253-C257 WeakPolarHBondContact O-CB 3.24Å; S253-C257 PolarHBondContact O-N 3.19Å; S253-I344 VanDerWaalsContact CB-O 3.3Å; S253-I344 WeakPolarHBondContact CB-O 3.31Å
254	S	98.9	Very high	98.7	Very high	4 Å²	4	2.3 Å²	2.3	3%	0.028	1%	0.012	C	C	.	.	H	α-helix	trans	-70.8	-36.4	179.2	-69.2	0	0	0	0	112.2	Y185 R245 T251 P252 C257 Q258	Y185-S254 VanDerWaalsContact CD1-CB 3.44Å; R245-S254 WeakPolarHBondContact CD-OG 3.25Å; R245-S254 WeakPolarHBondContact CG-OG 3.38Å; T251-S254 WeakPolarHBondContact O-CB 3.32Å; T251-S254 PolarHBondContact O-N 3.05Å; P252-S254 PolarHBondContact O-N 3.41Å; S254-C257 PolarHBondContact O-N 3.12Å; S254-Q258 WeakPolarHBondContact O-CB 3.23Å; S254-Q258 PolarHBondContact O-N 3.45Å
255	Y	98.8	Very high	98.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-70.4	-40.7	176.1	-65.2	-88.4	0	0	0	111.6	Y183 P184 Y185 T251 P252 Q258 G259 E437 Y440 A441 I481	Y183-Y255 VanDerWaalsContact CB-OH 3.27Å; Y183-Y255 WeakPolarHBondContact CB-OH 3.36Å; P184-Y255 PolarHBondContact O-OH 3.28Å; Y185-Y255 HydrophobicContact CD2-CD1 4.07Å; Y185-Y255 HydrophobicContact CD2-CD2 4.02Å; Y185-Y255 AromaticContact CD2-CE1 3.88Å; Y185-Y255 HydrophobicContact CD2-CE1 3.88Å; Y185-Y255 AromaticContact CD2-CE2 3.82Å; Y185-Y255 HydrophobicContact CD2-CE2 3.82Å; Y185-Y255 HydrophobicContact CD2-CG 4.15Å; Y185-Y255 AromaticContact CD2-CZ 3.76Å; Y185-Y255 HydrophobicContact CE2-CD1 4.37Å; Y185-Y255 HydrophobicContact CE2-CE1 4.42Å; Y185-Y255 HydrophobicContact CG-CE2 4.37Å; T251-Y255 WeakPolarHBondContact O-CD2 3.25Å; P252-Y255 PolarHBondContact O-N 2.97Å; P252-Y255 VanDerWaalsContact O-N 3.07Å; Y255-Q258 PolarHBondContact O-N 3.12Å; Y255-G259 PolarHBondContact O-N 3.26Å; Y255-E437 HydrophobicContact CD1-CB 3.78Å; Y255-E437 HydrophobicContact CD1-CG 4.13Å; Y255-E437 HydrophobicContact CE1-CB 3.61Å; Y255-E437 VanDerWaalsContact CE1-CD 3.5Å; Y255-E437 HydrophobicContact CE1-CG 3.47Å; Y255-E437 VanDerWaalsContact CE1-CG 3.47Å; Y255-E437 WeakPolarHBondContact CE1-OE1 3.34Å; Y255-E437 PolarHBondContact OH-OE1 3.08Å; Y255-Y440 VanDerWaalsContact CB-CB 3.47Å; Y255-Y440 HydrophobicContact CD2-CD2 4.4Å; Y255-Y440 HydrophobicContact CG-CD2 4.45Å; Y255-A441 WeakPolarHBondContact O-CA 3.04Å; Y255-I481 HydrophobicContact CD1-CD1 3.81Å
256	V	98.9	Very high	98.6	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.6	-48.1	171.9	178.5	0	0	0	0	110.3	P252 Q258 G259 F260 I344 L417 V419 Y440 L443 G444	P252-V256 PolarHBondContact O-N 3Å; P252-V256 VanDerWaalsContact O-N 3.08Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.34Å; V256-G259 PolarHBondContact O-N 2.87Å; V256-F260 PolarHBondContact O-N 3.11Å; V256-I344 HydrophobicContact CB-CG2 4.01Å; V256-I344 HydrophobicContact CG1-CD1 4.14Å; V256-I344 HydrophobicContact CG1-CG2 3.95Å; V256-L417 HydrophobicContact CG1-CD2 4.26Å; V256-V419 HydrophobicContact CG2-CB 4.35Å; V256-V419 HydrophobicContact CG2-CG1 3.86Å; V256-Y440 WeakPolarHBondContact CA-O 3.25Å; V256-Y440 WeakPolarHBondContact CG2-O 3.18Å; V256-L443 HydrophobicContact CG1-CG 4.41Å; V256-L443 HydrophobicContact CG2-CB 4.39Å; V256-L443 HydrophobicContact CG2-CD2 4.17Å; V256-G444 VanDerWaalsContact O-CA 3.25Å; V256-G444 WeakPolarHBondContact O-CA 3.29Å
257	C	98.9	Very high	98.5	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	5%	0.049	C	C	.	.	H	α-helix	trans	-62.4	-40.3	178	-170.3	0	0	0	0	112.3	A244 S253 S254 F260 I261 I344	A244-C257 HydrophobicContact CB-CB 3.79Å; S253-C257 WeakPolarHBondContact O-CB 3.24Å; S253-C257 PolarHBondContact O-N 3.19Å; S254-C257 PolarHBondContact O-N 3.12Å; C257-F260 WeakPolarHBondContact O-CB 3.33Å; C257-F260 PolarHBondContact O-N 2.6Å; C257-I261 WeakPolarHBondContact O-CG1 3.25Å; C257-I261 PolarHBondContact O-N 2.88Å; C257-I344 HydrophobicContact CB-CD1 4.19Å
258	Q	98.7	Very high	98.4	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.019	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-47.2	175.7	174.7	167.5	-13.7	0	0	111.4	Y185 Y193 S254 Y255 V256 F260 I261 D262 I481 S482	Y185-Q258 PolarHBondContact OH-OE1 3.36Å; Y193-Q258 HydrophobicContact CD1-CG 4.5Å; Y193-Q258 HydrophobicContact CE1-CB 4.43Å; Y193-Q258 HydrophobicContact CE1-CG 3.97Å; Y193-Q258 HydrophobicContact CE2-CG 3.99Å; Y193-Q258 PolarHBondContact OH-O 2.67Å; S254-Q258 WeakPolarHBondContact O-CB 3.23Å; S254-Q258 PolarHBondContact O-N 3.45Å; Y255-Q258 PolarHBondContact O-N 3.12Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.34Å; Q258-F260 VanDerWaalsContact C-N 3.26Å; Q258-F260 PolarHBondContact O-N 2.92Å; Q258-I261 PolarHBondContact O-N 3.31Å; Q258-I261 VanDerWaalsContact O-N 3.11Å; Q258-D262 WeakPolarHBondContact O-CB 3.34Å; Q258-D262 PolarHBondContact O-N 3.16Å; Q258-I481 HydrophobicContact CG-CD1 4.48Å; Q258-I481 HydrophobicContact CG-CG1 4.2Å; Q258-S482 PolarHBondContact NE2-OG 3.4Å
259	G	98.7	Very high	98.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-36.4	177	0	0	0	0	0	112.9	Y255 V256 F263 A441 R445	Y255-G259 PolarHBondContact O-N 3.26Å; V256-G259 PolarHBondContact O-N 2.87Å; G259-F263 PolarHBondContact O-N 2.97Å; G259-A441 WeakPolarHBondContact CA-O 3.35Å; G259-R445 WeakPolarHBondContact O-CG 3.3Å
260	F	98.8	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-50.2	171.4	-178.1	-101.1	0	0	0	111.4	V242 V256 C257 Q258 F263 M264 F280 I282 G444 L447 A448 F451	V242-F260 HydrophobicContact CG2-CE1 3.95Å; V242-F260 HydrophobicContact CG2-CZ 4.17Å; V256-F260 PolarHBondContact O-N 3.11Å; C257-F260 WeakPolarHBondContact O-CB 3.33Å; C257-F260 PolarHBondContact O-N 2.6Å; Q258-F260 VanDerWaalsContact C-N 3.26Å; Q258-F260 PolarHBondContact O-N 2.92Å; F260-F263 PolarHBondContact O-N 3.49Å; F260-M264 HydrophobicContact CD1-CG 4.23Å; F260-M264 HydrophobicContact CD2-CG 4.39Å; F260-M264 HydrophobicContact CE1-CG 3.96Å; F260-M264 HydrophobicContact CE2-CG 4.14Å; F260-M264 HydrophobicContact CE2-SD 4.48Å; F260-M264 HydrophobicContact CG-CG 4.44Å; F260-M264 HydrophobicContact CZ-CG 3.91Å; F260-M264 HydrophobicContact CZ-SD 4.43Å; F260-M264 WeakPolarHBondContact O-CB 3.4Å; F260-M264 WeakPolarHBondContact O-CG 3.34Å; F260-M264 PolarHBondContact O-N 2.67Å; F260-F280 HydrophobicContact CE1-CD1 4.22Å; F260-F280 AromaticContact CZ-CD1 3.74Å; F260-F280 HydrophobicContact CZ-CD1 3.74Å; F260-F280 AromaticContact CZ-CE1 3.99Å; F260-F280 HydrophobicContact CZ-CE1 3.99Å; F260-I282 HydrophobicContact CD1-CD1 3.86Å; F260-I282 HydrophobicContact CE1-CD1 3.69Å; F260-I282 HydrophobicContact CE1-CG1 4.2Å; F260-G444 WeakPolarHBondContact CD2-O 3.37Å; F260-L447 HydrophobicContact CD2-CB 4.18Å; F260-L447 HydrophobicContact CD2-CD2 3.95Å; F260-L447 HydrophobicContact CD2-CG 4.07Å; F260-L447 HydrophobicContact CE2-CD2 4.25Å; F260-L447 HydrophobicContact CE2-CG 4.17Å; F260-A448 HydrophobicContact CD2-CB 3.81Å; F260-A448 HydrophobicContact CE2-CB 3.82Å; F260-F451 AromaticContact CE2-CD2 3.97Å; F260-F451 HydrophobicContact CE2-CD2 3.97Å; F260-F451 AromaticContact CE2-CE2 3.87Å; F260-F451 HydrophobicContact CE2-CE2 3.87Å; F260-F451 HydrophobicContact CZ-CD2 4.34Å; F260-F451 HydrophobicContact CZ-CE2 4.09Å
261	I	98.8	Very high	98.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-48.8	177.7	-66.8	165.1	0	0	0	110.9	Y193 L197 I224 C257 Q258 F263 M264 V265 I282 P284	Y193-I261 HydrophobicContact CE1-CD1 4.32Å; Y193-I261 HydrophobicContact CE1-CG2 4.3Å; Y193-I261 WeakPolarHBondContact OH-CB 3.25Å; Y193-I261 WeakPolarHBondContact OH-CG2 3.42Å; L197-I261 HydrophobicContact CD1-CG2 3.6Å; I224-I261 HydrophobicContact CD1-CG2 4.15Å; C257-I261 WeakPolarHBondContact O-CG1 3.25Å; C257-I261 PolarHBondContact O-N 2.88Å; Q258-I261 PolarHBondContact O-N 3.31Å; Q258-I261 VanDerWaalsContact O-N 3.11Å; I261-F263 VanDerWaalsContact C-N 3.31Å; I261-F263 PolarHBondContact O-N 3.12Å; I261-M264 CarbonylContact O-C 3.55Å; I261-M264 PolarHBondContact O-N 3.46Å; I261-V265 HydrophobicContact CG2-CG1 4.2Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.82Å; I261-I282 HydrophobicContact CD1-CG2 4.19Å; I261-I282 HydrophobicContact CG1-CD1 3.77Å; I261-I282 HydrophobicContact CG1-CG2 4.34Å; I261-P284 HydrophobicContact CD1-CB 4.32Å
262	D	98.5	Very high	98.1	Very high	13 Å²	13	16 Å²	16	7%	0.07	9%	0.087	C	C	.	.	H	α-helix	trans	-55.6	-44.9	-179.7	-76.8	-14.2	0	0	0	111.1	Y193 Q258 V265 S266 I479	Y193-D262 WeakPolarHBondContact CE2-OD1 3.45Å; Y193-D262 VanDerWaalsContact CZ-OD1 3.3Å; Y193-D262 PolarHBondContact OH-OD1 2.84Å; Q258-D262 WeakPolarHBondContact O-CB 3.34Å; Q258-D262 PolarHBondContact O-N 3.16Å; D262-V265 WeakPolarHBondContact O-CG2 3.46Å; D262-S266 WeakPolarHBondContact O-CB 3.37Å; D262-S266 PolarHBondContact O-N 3.46Å; D262-I479 HydrophobicContact CB-CG2 4.27Å
263	F	98.5	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-47.9	173.9	-171.3	-87.8	0	0	0	111.7	G259 F260 I261 V265 S266 H268 I270 A271 R445 A448 R449 I479	G259-F263 PolarHBondContact O-N 2.97Å; F260-F263 PolarHBondContact O-N 3.49Å; I261-F263 VanDerWaalsContact C-N 3.31Å; I261-F263 PolarHBondContact O-N 3.12Å; F263-V265 VanDerWaalsContact C-N 3.3Å; F263-V265 PolarHBondContact O-N 2.97Å; F263-S266 WeakPolarHBondContact O-CB 3.39Å; F263-S266 PolarHBondContact O-N 3.15Å; F263-S266 VanDerWaalsContact O-N 3.16Å; F263-S266 PolarHBondContact O-OG 2.73Å; F263-H268 HydrophobicContact CE2-CB 4.32Å; F263-H268 AromaticContact CE2-CD2 3.68Å; F263-H268 AromaticContact CE2-CG 3.88Å; F263-H268 HydrophobicContact CZ-CB 4.33Å; F263-H268 AromaticContact CZ-CG 3.87Å; F263-H268 AromaticContact CZ-ND1 3.95Å; F263-I270 HydrophobicContact CE1-CB 4.34Å; F263-I270 HydrophobicContact CE1-CG2 3.94Å; F263-I270 HydrophobicContact CZ-CB 4.05Å; F263-I270 HydrophobicContact CZ-CG2 3.99Å; F263-A271 HydrophobicContact CD1-CB 4.06Å; F263-A271 HydrophobicContact CE1-CB 3.91Å; F263-A271 WeakPolarHBondContact O-CB 3.25Å; F263-R445 HydrophobicContact CB-CB 4.31Å; F263-R445 HydrophobicContact CB-CG 4.03Å; F263-R445 HydrophobicContact CD2-CB 4.08Å; F263-R445 HydrophobicContact CD2-CG 4.34Å; F263-R445 HydrophobicContact CG-CB 4.44Å; F263-A448 HydrophobicContact CB-CB 4.33Å; F263-A448 HydrophobicContact CD1-CB 3.36Å; F263-A448 HydrophobicContact CE1-CB 3.88Å; F263-A448 HydrophobicContact CG-CB 4.02Å; F263-R449 HydrophobicContact CE1-CG 4.45Å; F263-R449 HydrophobicContact CE2-CG 4.2Å; F263-R449 HydrophobicContact CZ-CG 3.86Å; F263-I479 HydrophobicContact CD2-CD1 3.69Å; F263-I479 HydrophobicContact CE2-CD1 4.2Å
264	M	98.5	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-26.4	-174.7	-72	-53	-52.2	0	0	113.6	I224 F260 I261 L274 R275 F280 A448	I224-M264 HydrophobicContact CD1-CB 3.73Å; I224-M264 HydrophobicContact CG2-CB 4.22Å; I224-M264 WeakPolarHBondContact CG2-O 3.47Å; F260-M264 HydrophobicContact CD1-CG 4.23Å; F260-M264 HydrophobicContact CD2-CG 4.39Å; F260-M264 HydrophobicContact CE1-CG 3.96Å; F260-M264 HydrophobicContact CE2-CG 4.14Å; F260-M264 HydrophobicContact CE2-SD 4.48Å; F260-M264 HydrophobicContact CG-CG 4.44Å; F260-M264 HydrophobicContact CZ-CG 3.91Å; F260-M264 HydrophobicContact CZ-SD 4.43Å; F260-M264 WeakPolarHBondContact O-CB 3.4Å; F260-M264 WeakPolarHBondContact O-CG 3.34Å; F260-M264 PolarHBondContact O-N 2.67Å; I261-M264 CarbonylContact O-C 3.55Å; I261-M264 PolarHBondContact O-N 3.46Å; M264-L274 HydrophobicContact CE-CB 3.98Å; M264-L274 HydrophobicContact CE-CD1 4.21Å; M264-L274 HydrophobicContact SD-CD1 3.85Å; M264-R275 HydrophobicContact CE-CG 4.3Å; M264-R275 WeakPolarHBondContact O-CD 3.42Å; M264-R275 PolarHBondContact O-NH1 3.06Å; M264-F280 HydrophobicContact CE-CD1 4.2Å; M264-F280 HydrophobicContact CE-CD2 3.37Å; M264-F280 HydrophobicContact CE-CE1 3.98Å; M264-F280 HydrophobicContact CE-CE2 3.1Å; M264-F280 HydrophobicContact CE-CG 3.92Å; M264-F280 HydrophobicContact CE-CZ 3.42Å; M264-F280 VanDerWaalsContact CE-CZ 3.42Å; M264-F280 HydrophobicContact SD-CE1 4.35Å; M264-F280 HydrophobicContact SD-CE2 4.39Å; M264-F280 HydrophobicContact SD-CZ 4.16Å; M264-A448 HydrophobicContact CG-CB 4.26Å; M264-A448 HydrophobicContact SD-CB 3.72Å
265	V	98.3	Very high	97.8	Very high	4 Å²	4	18 Å²	18	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-87.3	-19.1	173.9	-58.8	0	0	0	0	113.5	L197 Y202 H204 F205 I224 I261 D262 F263	L197-V265 HydrophobicContact CD2-CG2 4.19Å; Y202-V265 HydrophobicContact CD2-CB 4.24Å; Y202-V265 HydrophobicContact CE2-CB 4.18Å; Y202-V265 HydrophobicContact CE2-CG2 4.2Å; H204-V265 PolarHBondContact NE2-O 2.68Å; F205-V265 HydrophobicContact CD2-CG1 3.68Å; F205-V265 HydrophobicContact CE2-CG1 4.31Å; I224-V265 HydrophobicContact CD1-CG1 3.67Å; I224-V265 HydrophobicContact CG1-CG1 4.21Å; I261-V265 HydrophobicContact CG2-CG1 4.2Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.82Å; D262-V265 WeakPolarHBondContact O-CG2 3.46Å; F263-V265 VanDerWaalsContact C-N 3.3Å; F263-V265 PolarHBondContact O-N 2.97Å
266	S	97.8	Very high	97.7	Very high	17 Å²	17	22.7 Å²	22.7	12%	0.119	12%	0.117	C	C	.	.	S	Bend	trans	-65.1	168.8	-175	76.2	0	0	0	0	114.4	D262 F263 H268 R275	D262-S266 WeakPolarHBondContact O-CB 3.37Å; D262-S266 PolarHBondContact O-N 3.46Å; F263-S266 WeakPolarHBondContact O-CB 3.39Å; F263-S266 PolarHBondContact O-N 3.15Å; F263-S266 VanDerWaalsContact O-N 3.16Å; F263-S266 PolarHBondContact O-OG 2.73Å; S266-H268 PolarHBondContact O-N 3.33Å; S266-H268 WeakPolarHBondContact OG-CB 3.23Å; S266-H268 PolarHBondContact OG-N 2.9Å; S266-R275 PolarHBondContact O-NH1 3.26Å; S266-R275 PolarHBondContact O-NH2 3.11Å
267	D	95.8	Very high	97.4	Very high	116 Å²	116	29.7 Å²	29.7	62%	0.62	14%	0.143	S	C	*	.			trans	-83.5	9.8	173.5	-63.1	-46.9	0	0	0	113.7	S269 Q272	D267-S269 PolarHBondContact O-N 3.13Å; D267-Q272 PolarHBondContact O-NE2 2.91Å
268	H	96.9	Very high	97.3	Very high	41 Å²	41	29.6 Å²	29.6	19%	0.19	14%	0.143	C	C	.	.			trans	-58.9	133.2	175.2	-167	-58.1	0	0	0	110.1	F263 S266 I270 A271 Q272 I479	F263-H268 HydrophobicContact CE2-CB 4.32Å; F263-H268 AromaticContact CE2-CD2 3.68Å; F263-H268 AromaticContact CE2-CG 3.88Å; F263-H268 HydrophobicContact CZ-CB 4.33Å; F263-H268 AromaticContact CZ-CG 3.87Å; F263-H268 AromaticContact CZ-ND1 3.95Å; S266-H268 PolarHBondContact O-N 3.33Å; S266-H268 WeakPolarHBondContact OG-CB 3.23Å; S266-H268 PolarHBondContact OG-N 2.9Å; H268-I270 VanDerWaalsContact C-N 3.33Å; H268-I270 PolarHBondContact ND1-N 3.36Å; H268-I270 PolarHBondContact O-N 2.68Å; H268-A271 HydrophobicContact CB-CB 4.22Å; H268-A271 WeakPolarHBondContact O-CA 3.47Å; H268-A271 WeakPolarHBondContact O-CB 3.37Å; H268-A271 PolarHBondContact O-N 3.38Å; H268-Q272 PolarHBondContact O-N 3.16Å; H268-I479 HydrophobicContact CB-CD1 4.43Å
269	S	95.8	Very high	97.3	Very high	42 Å²	42	29.8 Å²	29.8	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-53.6	-44.5	-176.8	56.5	0	0	0	0	113.6	D267 A271 Q272 Q273 M464	D267-S269 PolarHBondContact O-N 3.13Å; S269-A271 PolarHBondContact O-N 3.04Å; S269-Q272 WeakPolarHBondContact O-CB 3.12Å; S269-Q272 PolarHBondContact O-N 3.19Å; S269-Q273 PolarHBondContact O-N 3Å; S269-M464 WeakPolarHBondContact OG-CE 3.43Å
270	I	96.3	Very high	97.3	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-55.4	-47.3	171.1	-67.5	177.3	0	0	0	111.9	F263 H268 Q272 Q273 L274 Y452 M464	F263-I270 HydrophobicContact CE1-CB 4.34Å; F263-I270 HydrophobicContact CE1-CG2 3.94Å; F263-I270 HydrophobicContact CZ-CB 4.05Å; F263-I270 HydrophobicContact CZ-CG2 3.99Å; H268-I270 VanDerWaalsContact C-N 3.33Å; H268-I270 PolarHBondContact ND1-N 3.36Å; H268-I270 PolarHBondContact O-N 2.68Å; I270-Q272 VanDerWaalsContact C-N 3.33Å; I270-Q272 PolarHBondContact O-N 2.87Å; I270-Q273 PolarHBondContact O-N 3.09Å; I270-L274 HydrophobicContact CG2-CD1 3.92Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 VanDerWaalsContact O-CG 3.3Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.48Å; I270-Y452 HydrophobicContact CB-CD2 4.45Å; I270-Y452 HydrophobicContact CB-CG 4.42Å; I270-Y452 HydrophobicContact CD1-CD1 4.2Å; I270-Y452 HydrophobicContact CG1-CD1 4.21Å; I270-Y452 HydrophobicContact CG1-CD2 4.37Å; I270-Y452 HydrophobicContact CG1-CE1 4.41Å; I270-Y452 HydrophobicContact CG1-CG 4.21Å; I270-Y452 VanDerWaalsContact CG2-CB 3.44Å; I270-Y452 HydrophobicContact CG2-CD1 4.29Å; I270-Y452 HydrophobicContact CG2-CD2 3.87Å; I270-Y452 HydrophobicContact CG2-CG 3.59Å; I270-M464 HydrophobicContact CG1-SD 4.31Å
271	A	97.8	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-39.6	179.8	0	0	0	0	0	111.4	F263 H268 S269 L274 R275	F263-A271 HydrophobicContact CD1-CB 4.06Å; F263-A271 HydrophobicContact CE1-CB 3.91Å; F263-A271 WeakPolarHBondContact O-CB 3.25Å; H268-A271 HydrophobicContact CB-CB 4.22Å; H268-A271 WeakPolarHBondContact O-CA 3.47Å; H268-A271 WeakPolarHBondContact O-CB 3.37Å; H268-A271 PolarHBondContact O-N 3.38Å; S269-A271 PolarHBondContact O-N 3.04Å; A271-L274 PolarHBondContact O-N 3.21Å; A271-R275 VanDerWaalsContact CB-NH1 3.33Å; A271-R275 VanDerWaalsContact O-CG 3.28Å; A271-R275 WeakPolarHBondContact O-CG 3.15Å; A271-R275 PolarHBondContact O-N 3.25Å
272	Q	97.1	Very high	97.3	Very high	82 Å²	82	31 Å²	31	38%	0.383	15%	0.149	S	C	.	.	H	α-helix	trans	-59.5	-51.3	173.5	-67.5	173.4	-6.5	0	0	111.7	D267 H268 S269 I270 L274 R275 E276	D267-Q272 PolarHBondContact O-NE2 2.91Å; H268-Q272 PolarHBondContact O-N 3.16Å; S269-Q272 WeakPolarHBondContact O-CB 3.12Å; S269-Q272 PolarHBondContact O-N 3.19Å; I270-Q272 VanDerWaalsContact C-N 3.33Å; I270-Q272 PolarHBondContact O-N 2.87Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 3.09Å; Q272-R275 PolarHBondContact O-N 3.25Å; Q272-R275 VanDerWaalsContact O-N 3.12Å; Q272-E276 WeakPolarHBondContact O-CG 3.41Å; Q272-E276 PolarHBondContact O-N 3.01Å
273	Q	96	Very high	97.3	Very high	32 Å²	32	30.3 Å²	30.3	15%	0.15	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-38.8	178.4	-74.6	-176	66.7	0	0	113	S269 I270 E276 Y452 L461 C462 M464	S269-Q273 PolarHBondContact O-N 3Å; I270-Q273 PolarHBondContact O-N 3.09Å; Q273-E276 PolarHBondContact O-N 3.28Å; Q273-Y452 HydrophobicContact CB-CE2 4.38Å; Q273-L461 WeakPolarHBondContact O-CD2 3.11Å; Q273-C462 PolarHBondContact OE1-O 3.14Å; Q273-M464 PolarHBondContact NE2-SD 3.31Å; Q273-M464 VanDerWaalsContact NE2-SD 3.44Å
274	L	97.9	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-49.5	173.8	-73.7	168.5	0	0	0	110.9	M264 I270 A271 Q272 E276 R277 L278 F280 A448 F451 L461	M264-L274 HydrophobicContact CE-CB 3.98Å; M264-L274 HydrophobicContact CE-CD1 4.21Å; M264-L274 HydrophobicContact SD-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CD1 3.92Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 VanDerWaalsContact O-CG 3.3Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.48Å; A271-L274 PolarHBondContact O-N 3.21Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 3.09Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 3.32Å; L274-R277 PolarHBondContact O-N 3.21Å; L274-L278 HydrophobicContact CB-CD1 4.49Å; L274-L278 HydrophobicContact CD2-CD1 3.58Å; L274-L278 VanDerWaalsContact O-CB 3.3Å; L274-L278 WeakPolarHBondContact O-CB 3.33Å; L274-L278 PolarHBondContact O-N 2.7Å; L274-F280 HydrophobicContact CB-CE2 4.01Å; L274-F280 HydrophobicContact CB-CZ 4.05Å; L274-F280 HydrophobicContact CD2-CZ 4.25Å; L274-A448 WeakPolarHBondContact CD1-O 3.5Å; L274-F451 HydrophobicContact CD2-CB 3.96Å; L274-L461 HydrophobicContact CD2-CD1 3.85Å
275	R	97.4	Very high	97.4	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.045	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-28.7	-179.7	-69.9	-171	-55.6	-97.9	10.8	113.2	H204 I224 H226 N229 M264 S266 A271 Q272 R277	H204-R275 WeakPolarHBondContact CD2-CD 3.49Å; H204-R275 PolarHBondContact CD2-NE 3.17Å; I224-R275 HydrophobicContact CG2-CG 3.99Å; H226-R275 WeakPolarHBondContact CB-O 3.14Å; H226-R275 PolarHBondContact N-O 2.83Å; N229-R275 PolarHBondContact ND2-O 3.5Å; M264-R275 HydrophobicContact CE-CG 4.3Å; M264-R275 WeakPolarHBondContact O-CD 3.42Å; M264-R275 PolarHBondContact O-NH1 3.06Å; S266-R275 PolarHBondContact O-NH1 3.26Å; S266-R275 PolarHBondContact O-NH2 3.11Å; A271-R275 VanDerWaalsContact CB-NH1 3.33Å; A271-R275 VanDerWaalsContact O-CG 3.28Å; A271-R275 WeakPolarHBondContact O-CG 3.15Å; A271-R275 PolarHBondContact O-N 3.25Å; Q272-R275 PolarHBondContact O-N 3.25Å; Q272-R275 VanDerWaalsContact O-N 3.12Å; R275-R277 VanDerWaalsContact C-N 3.28Å; R275-R277 PolarHBondContact O-N 2.62Å
276	E	95.3	Very high	97.4	Very high	100 Å²	100	30.5 Å²	30.5	47%	0.467	15%	0.146	S	C	.	.	H	α-helix	trans	-64.1	-31.7	177.1	-77	175.9	-173.7	0	0	112.9	N229 Q272 Q273 L274	N229-E276 PolarHBondContact ND2-O 2.68Å; N229-E276 VanDerWaalsContact ND2-O 3.12Å; N229-E276 PolarHBondContact OD1-O 2.91Å; Q272-E276 WeakPolarHBondContact O-CG 3.41Å; Q272-E276 PolarHBondContact O-N 3.01Å; Q273-E276 PolarHBondContact O-N 3.28Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 3.32Å
277	R	93.8	Very high	97.4	Very high	147 Å²	147	30 Å²	30	56%	0.555	14%	0.142	S	C	*	.	H	α-helix	trans	-116.1	-18.7	-172.9	-58.4	-58.4	-175.4	163.6	0.5	114.8	L274 R275 I460 L461	L274-R277 PolarHBondContact O-N 3.21Å; R275-R277 VanDerWaalsContact C-N 3.28Å; R275-R277 PolarHBondContact O-N 2.62Å; R277-I460 HydrophobicContact CB-CG2 4.25Å; R277-I460 HydrophobicContact CG-CG2 4.47Å; R277-L461 HydrophobicContact CB-CD2 3.93Å; R277-L461 HydrophobicContact CG-CD2 3.57Å
278	L	97.2	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.7	-170.2	-50.8	172	0	0	0	111.3	T225 R238 L274 F280 Y455	T225-L278 PolarHBondContact OG1-O 2.79Å; R238-L278 HydrophobicContact CB-CD2 3.66Å; L274-L278 HydrophobicContact CB-CD1 4.49Å; L274-L278 HydrophobicContact CD2-CD1 3.58Å; L274-L278 VanDerWaalsContact O-CB 3.3Å; L274-L278 WeakPolarHBondContact O-CB 3.33Å; L274-L278 PolarHBondContact O-N 2.7Å; L278-F280 HydrophobicContact CB-CD2 4.37Å; L278-F280 HydrophobicContact CB-CE2 3.65Å; L278-F280 HydrophobicContact CB-CZ 3.98Å; L278-F280 HydrophobicContact CD1-CE2 4.14Å; L278-F280 HydrophobicContact CD1-CZ 3.69Å; L278-Y455 HydrophobicContact CD1-CD2 3.4Å; L278-Y455 VanDerWaalsContact CD1-CD2 3.4Å; L278-Y455 HydrophobicContact CD1-CE2 3.35Å; L278-Y455 HydrophobicContact CD1-CG 4.23Å; L278-Y455 HydrophobicContact CD2-CD1 4.27Å; L278-Y455 HydrophobicContact CD2-CD2 4.13Å; L278-Y455 HydrophobicContact CD2-CE1 3.95Å; L278-Y455 HydrophobicContact CD2-CE2 3.82Å; L278-Y455 HydrophobicContact CD2-CG 4.35Å; L278-Y455 HydrophobicContact CG-CD2 4.37Å; L278-Y455 HydrophobicContact CG-CE2 4.23Å
279	I	98.1	Very high	97.7	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.041	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.7	171.2	-57.6	172.6	0	0	0	108.4	T223 T225 N229 K237 R238 V239 V240 K281 I336	T223-I279 HydrophobicContact CG2-CG2 4.02Å; T225-I279 HydrophobicContact CG2-CG1 4.35Å; T225-I279 HydrophobicContact CG2-CG2 4.37Å; N229-I279 HydrophobicContact CB-CD1 4.16Å; N229-I279 HydrophobicContact CB-CG1 3.93Å; K237-I279 HydrophobicContact CB-CD1 3.74Å; K237-I279 HydrophobicContact CG-CD1 4.3Å; R238-I279 PolarHBondContact O-N 2.97Å; V239-I279 CarbonylContact C-O 3.21Å; V239-I279 VanDerWaalsContact CA-O 3.28Å; V239-I279 WeakPolarHBondContact CA-O 3.2Å; V239-I279 HydrophobicContact CG2-CB 4.01Å; V239-I279 HydrophobicContact CG2-CG2 4.34Å; V240-I279 PolarHBondContact N-O 3.34Å; I279-K281 HydrophobicContact CG2-CG 4.32Å; I279-I336 HydrophobicContact CD1-CD1 4.46Å
280	F	98.8	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.3	174.5	-62.2	-92.3	0	0	0	109.4	T223 I224 V240 F260 M264 L274 L278 I282 F451	T223-F280 CarbonylContact C-O 3.45Å; T223-F280 VanDerWaalsContact CA-O 3.28Å; T223-F280 WeakPolarHBondContact CA-O 3.37Å; I224-F280 HydrophobicContact CB-CB 4.26Å; I224-F280 PolarHBondContact N-O 3.46Å; I224-F280 WeakPolarHBondContact O-CD2 3.11Å; I224-F280 PolarHBondContact O-N 2.91Å; V240-F280 HydrophobicContact CB-CD1 3.74Å; V240-F280 HydrophobicContact CB-CE1 3.88Å; V240-F280 HydrophobicContact CG1-CD1 3.91Å; V240-F280 HydrophobicContact CG1-CE1 4.06Å; V240-F280 HydrophobicContact CG2-CD1 4.44Å; V240-F280 HydrophobicContact CG2-CE1 4.09Å; V240-F280 WeakPolarHBondContact O-CA 3.4Å; F260-F280 HydrophobicContact CE1-CD1 4.22Å; F260-F280 AromaticContact CZ-CD1 3.74Å; F260-F280 HydrophobicContact CZ-CD1 3.74Å; F260-F280 AromaticContact CZ-CE1 3.99Å; F260-F280 HydrophobicContact CZ-CE1 3.99Å; M264-F280 HydrophobicContact CE-CD1 4.2Å; M264-F280 HydrophobicContact CE-CD2 3.37Å; M264-F280 HydrophobicContact CE-CE1 3.98Å; M264-F280 HydrophobicContact CE-CE2 3.1Å; M264-F280 HydrophobicContact CE-CG 3.92Å; M264-F280 HydrophobicContact CE-CZ 3.42Å; M264-F280 VanDerWaalsContact CE-CZ 3.42Å; M264-F280 HydrophobicContact SD-CE1 4.35Å; M264-F280 HydrophobicContact SD-CE2 4.39Å; M264-F280 HydrophobicContact SD-CZ 4.16Å; L274-F280 HydrophobicContact CB-CE2 4.01Å; L274-F280 HydrophobicContact CB-CZ 4.05Å; L274-F280 HydrophobicContact CD2-CZ 4.25Å; L278-F280 HydrophobicContact CB-CD2 4.37Å; L278-F280 HydrophobicContact CB-CE2 3.65Å; L278-F280 HydrophobicContact CB-CZ 3.98Å; L278-F280 HydrophobicContact CD1-CE2 4.14Å; L278-F280 HydrophobicContact CD1-CZ 3.69Å; F280-I282 HydrophobicContact CB-CD1 4.46Å; F280-I282 HydrophobicContact CB-CG1 4.48Å; F280-F451 HydrophobicContact CE1-CD2 4.25Å
281	K	98.9	Very high	97.9	Very high	25 Å²	25	20.3 Å²	20.3	11%	0.109	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.8	174.2	-69.9	-69.8	-175.1	177	0	108.1	E208 L221 I222 T223 V239 V240 F241 V242 I279 L330	E208-K281 IonicContact OE2-NZ 3.57Å; L221-K281 HydrophobicContact CD1-CB 4.22Å; L221-K281 HydrophobicContact CD1-CD 4.14Å; L221-K281 HydrophobicContact CD2-CD 4.25Å; L221-K281 HydrophobicContact CG-CD 4.46Å; I222-K281 CarbonylContact O-C 3.56Å; I222-K281 WeakPolarHBondContact O-CA 3.46Å; T223-K281 HydrophobicContact CG2-CD 4.1Å; T223-K281 WeakPolarHBondContact OG1-CD 3.22Å; T223-K281 PolarHBondContact OG1-NZ 3.39Å; V239-K281 HydrophobicContact CG1-CB 4.39Å; V239-K281 HydrophobicContact CG1-CG 4.04Å; V240-K281 PolarHBondContact O-N 2.7Å; F241-K281 CarbonylContact C-O 3.52Å; F241-K281 VanDerWaalsContact CA-O 3.31Å; F241-K281 WeakPolarHBondContact CA-O 3.39Å; F241-K281 HydrophobicContact CD2-CB 3.47Å; F241-K281 VanDerWaalsContact CD2-CB 3.47Å; F241-K281 HydrophobicContact CD2-CG 4.29Å; F241-K281 HydrophobicContact CE2-CB 3.63Å; F241-K281 HydrophobicContact CE2-CG 4.38Å; F241-K281 HydrophobicContact CG-CB 4.14Å; F241-K281 HydrophobicContact CZ-CB 4.39Å; V242-K281 PolarHBondContact N-O 2.6Å; I279-K281 HydrophobicContact CG2-CG 4.32Å; K281-L330 HydrophobicContact CG-CD1 4.3Å
282	I	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124	-169.6	-49	166.6	0	0	0	109.7	I222 I224 V242 F260 I261 F280 P284	I222-I282 HydrophobicContact CB-CB 4.22Å; I222-I282 PolarHBondContact N-O 2.82Å; I222-I282 PolarHBondContact O-N 3.42Å; I224-I282 HydrophobicContact CD1-CD1 3.84Å; I224-I282 HydrophobicContact CG1-CD1 4.48Å; V242-I282 HydrophobicContact CB-CG1 4.34Å; V242-I282 HydrophobicContact CB-CG2 4.29Å; V242-I282 HydrophobicContact CG1-CG2 4.5Å; V242-I282 CarbonylContact O-C 3.6Å; V242-I282 VanDerWaalsContact O-CA 3.24Å; V242-I282 WeakPolarHBondContact O-CA 3.28Å; F260-I282 HydrophobicContact CD1-CD1 3.86Å; F260-I282 HydrophobicContact CE1-CD1 3.69Å; F260-I282 HydrophobicContact CE1-CG1 4.2Å; I261-I282 HydrophobicContact CD1-CG2 4.19Å; I261-I282 HydrophobicContact CG1-CD1 3.77Å; I261-I282 HydrophobicContact CG1-CG2 4.34Å; F280-I282 HydrophobicContact CB-CD1 4.46Å; F280-I282 HydrophobicContact CB-CG1 4.48Å; I282-P284 WeakPolarHBondContact O-CD 3.44Å
283	V	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	94.4	169	-176.5	0	0	0	0	108	L210 L219 L221 F241 V242 T243 A244 M285 L286 T323	L210-V283 HydrophobicContact CD2-CG2 3.91Å; L219-V283 HydrophobicContact CD1-CG1 3.56Å; L219-V283 HydrophobicContact CG-CG1 4.09Å; L221-V283 HydrophobicContact CD1-CG2 4.05Å; F241-V283 HydrophobicContact CE1-CG2 4Å; F241-V283 HydrophobicContact CZ-CG2 4.06Å; V242-V283 PolarHBondContact O-N 2.81Å; T243-V283 WeakPolarHBondContact CA-O 3.47Å; T243-V283 HydrophobicContact CG2-CB 4.13Å; A244-V283 PolarHBondContact N-O 2.73Å; V283-M285 VanDerWaalsContact C-N 3.26Å; V283-M285 PolarHBondContact O-N 3.27Å; V283-L286 HydrophobicContact CB-CD2 4.41Å; V283-L286 HydrophobicContact CG1-CD2 3.74Å; V283-L286 HydrophobicContact CG1-CG 4.18Å; V283-T323 HydrophobicContact CG2-CG2 4.23Å
284	P	98.9	Very high	98.1	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.026	9%	0.092	C	C	.	.	S	Bend	trans	-72.2	-15.3	-168.2	26.4	-34	0	0	0	114.6	L190 L194 D220 I222 I261 I282	L190-P284 HydrophobicContact CD1-CB 3.91Å; L190-P284 HydrophobicContact CD1-CG 4.01Å; L190-P284 HydrophobicContact CD2-CB 4.24Å; L190-P284 HydrophobicContact CD2-CG 4.05Å; L194-P284 HydrophobicContact CD1-CG 4.16Å; D220-P284 WeakPolarHBondContact O-CD 3.42Å; I222-P284 HydrophobicContact CG1-CG 4.37Å; I261-P284 HydrophobicContact CD1-CB 4.32Å; I282-P284 WeakPolarHBondContact O-CD 3.44Å
285	M	98.9	Very high	98.1	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.02	9%	0.092	C	C	.	.			trans	-150.5	101.4	177	-177.3	174.5	-65.9	0	0	111.8	Y185 Y187 L190 L219 A244 R245 V283 P288 V291	Y185-M285 HydrophobicContact CD1-CE 4.47Å; Y187-M285 HydrophobicContact CD2-SD 3.8Å; Y187-M285 HydrophobicContact CG-SD 4.32Å; L190-M285 HydrophobicContact CB-CE 4.23Å; L190-M285 HydrophobicContact CD2-CB 3.41Å; L190-M285 VanDerWaalsContact CD2-CB 3.41Å; L190-M285 HydrophobicContact CD2-CE 3.9Å; L190-M285 HydrophobicContact CD2-CG 4.36Å; L190-M285 HydrophobicContact CD2-SD 4.15Å; L219-M285 VanDerWaalsContact CD1-O 3.29Å; L219-M285 WeakPolarHBondContact CD1-O 3.14Å; A244-M285 WeakPolarHBondContact O-CA 3.36Å; R245-M285 HydrophobicContact CB-CB 4.41Å; R245-M285 HydrophobicContact CB-CG 4.36Å; R245-M285 HydrophobicContact CG-CB 4.17Å; R245-M285 HydrophobicContact CG-CE 3.86Å; R245-M285 HydrophobicContact CG-CG 3.68Å; R245-M285 HydrophobicContact CG-SD 4.42Å; V283-M285 VanDerWaalsContact C-N 3.26Å; V283-M285 PolarHBondContact O-N 3.27Å; M285-P288 HydrophobicContact CG-CG 4.12Å; M285-P288 WeakPolarHBondContact O-CD 3.36Å; M285-P288 HydrophobicContact SD-CB 4.28Å; M285-P288 HydrophobicContact SD-CG 4.42Å; M285-V291 HydrophobicContact CE-CB 4.37Å; M285-V291 HydrophobicContact CE-CG1 3.91Å; M285-V291 HydrophobicContact CE-CG2 4.14Å; M285-V291 HydrophobicContact CG-CG2 4.35Å; M285-V291 HydrophobicContact SD-CB 3.98Å; M285-V291 HydrophobicContact SD-CG1 4.05Å; M285-V291 HydrophobicContact SD-CG2 3.93Å
286	L	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-75	-22	178.1	-79.1	173.1	0	0	0	114	T243 A244 V246 V283 P288 W309 T319 I320 T323	T243-L286 HydrophobicContact CG2-CD1 4.13Å; A244-L286 PolarHBondContact O-N 3.05Å; V246-L286 HydrophobicContact CB-CB 3.87Å; V246-L286 HydrophobicContact CB-CD1 3.89Å; V246-L286 HydrophobicContact CG2-CB 4.28Å; V246-L286 HydrophobicContact CG2-CD1 4.36Å; V283-L286 HydrophobicContact CB-CD2 4.41Å; V283-L286 HydrophobicContact CG1-CD2 3.74Å; V283-L286 HydrophobicContact CG1-CG 4.18Å; L286-P288 VanDerWaalsContact C-CD 3.44Å; L286-W309 HydrophobicContact CD1-CZ2 4.13Å; L286-T319 WeakPolarHBondContact O-CB 3.34Å; L286-T319 WeakPolarHBondContact O-CG2 3.16Å; L286-T319 PolarHBondContact O-OG1 3.44Å; L286-I320 HydrophobicContact CD1-CD1 4.32Å; L286-I320 HydrophobicContact CD2-CD1 4.33Å; L286-T323 HydrophobicContact CD2-CG2 4.24Å; L286-T323 WeakPolarHBondContact CD2-OG1 3.4Å
287	N	98.8	Very high	98.3	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.027	7%	0.072	C	C	.	.			trans	-125.8	65.4	-179.5	-165	-7.1	0	0	0	113.9	R245 V246 P248 D289 G290 V291 S298 S299 L305	R245-N287 PolarHBondContact O-N 2.92Å; V246-N287 WeakPolarHBondContact O-CB 3.49Å; V246-N287 PolarHBondContact O-ND2 3.22Å; V246-N287 VanDerWaalsContact O-ND2 3.16Å; P248-N287 WeakPolarHBondContact CD-ND2 3.47Å; P248-N287 HydrophobicContact CG-CB 4.22Å; P248-N287 WeakPolarHBondContact CG-ND2 3.29Å; N287-D289 VanDerWaalsContact C-N 3.3Å; N287-D289 PolarHBondContact O-N 3.23Å; N287-G290 PolarHBondContact O-N 3.19Å; N287-G290 PolarHBondContact OD1-N 3.15Å; N287-V291 WeakPolarHBondContact O-CG2 3.3Å; N287-V291 PolarHBondContact O-N 3.01Å; N287-V291 VanDerWaalsContact O-N 3.11Å; N287-S298 PolarHBondContact ND2-O 3.44Å; N287-S299 PolarHBondContact ND2-N 2.99Å; N287-L305 HydrophobicContact CB-CD1 3.83Å
288	P	98.9	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.3	-39.8	178.4	-25.5	34.2	0	0	0	114.2	Y187 T213 R217 M285 L286 V291 Y292	Y187-P288 HydrophobicContact CD2-CB 3.62Å; Y187-P288 HydrophobicContact CD2-CG 4.26Å; Y187-P288 HydrophobicContact CE2-CB 3.84Å; Y187-P288 HydrophobicContact CE2-CG 4.26Å; Y187-P288 HydrophobicContact CG-CB 4.31Å; T213-P288 HydrophobicContact CG2-CB 3.81Å; T213-P288 HydrophobicContact CG2-CG 3.67Å; R217-P288 HydrophobicContact CB-CB 3.92Å; M285-P288 HydrophobicContact CG-CG 4.12Å; M285-P288 WeakPolarHBondContact O-CD 3.36Å; M285-P288 HydrophobicContact SD-CB 4.28Å; M285-P288 HydrophobicContact SD-CG 4.42Å; L286-P288 VanDerWaalsContact C-CD 3.44Å; P288-V291 PolarHBondContact O-N 2.9Å; P288-Y292 WeakPolarHBondContact O-CB 3.39Å; P288-Y292 PolarHBondContact O-N 3.1Å
289	D	98.7	Very high	98.5	Very high	6 Å²	6	10.4 Å²	10.4	3%	0.032	5%	0.047	C	C	.	.	H	α-helix	trans	-66.7	-46.7	-177.5	-74.5	-2.7	0	0	0	112	T213 I214 Q215 R217 N287 V291 Y292 L293 L300	T213-D289 VanDerWaalsContact CB-CG 3.41Å; T213-D289 VanDerWaalsContact CB-OD1 3.25Å; T213-D289 WeakPolarHBondContact CB-OD1 3.19Å; T213-D289 VanDerWaalsContact CB-OD2 3.26Å; T213-D289 WeakPolarHBondContact CB-OD2 3.46Å; T213-D289 PolarHBondContact OG1-OD1 3.14Å; T213-D289 PolarHBondContact OG1-OD2 3.13Å; I214-D289 PolarHBondContact N-OD2 3.41Å; Q215-D289 PolarHBondContact N-OD2 3.38Å; R217-D289 IonicContact CZ-OD1 2.81Å; R217-D289 IonicContact NH1-OD1 3.6Å; R217-D289 PolarHBondContact NH1-OD1 2.74Å; N287-D289 VanDerWaalsContact C-N 3.3Å; N287-D289 PolarHBondContact O-N 3.23Å; D289-V291 VanDerWaalsContact C-N 3.3Å; D289-V291 PolarHBondContact O-N 3.35Å; D289-Y292 PolarHBondContact O-N 3.39Å; D289-L293 WeakPolarHBondContact O-CB 3.12Å; D289-L293 WeakPolarHBondContact O-CD1 3.42Å; D289-L293 WeakPolarHBondContact O-CG 3.23Å; D289-L293 PolarHBondContact O-N 3.13Å; D289-L300 HydrophobicContact CB-CB 4.17Å
290	G	98.6	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.8	-37.6	177	0	0	0	0	0	112	P248 N287 L293 G294 N295	P248-G290 WeakPolarHBondContact CB-O 3.35Å; P248-G290 VanDerWaalsContact CG-C 3.42Å; P248-G290 VanDerWaalsContact CG-CA 3.47Å; N287-G290 PolarHBondContact O-N 3.19Å; N287-G290 PolarHBondContact OD1-N 3.15Å; G290-L293 PolarHBondContact O-N 3.47Å; G290-G294 PolarHBondContact O-N 3.08Å; G290-N295 WeakPolarHBondContact O-CB 3.13Å; G290-N295 PolarHBondContact O-N 2.87Å
291	V	98.8	Very high	98.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-63.2	-49.2	175.3	169.4	0	0	0	0	110.6	S68 R245 P248 M285 N287 P288 D289 L293 G294	S68-V291 WeakPolarHBondContact CA-O 3.49Å; S68-V291 WeakPolarHBondContact CB-O 3.38Å; S68-V291 PolarHBondContact OG-O 2.9Å; R245-V291 HydrophobicContact CG-CG2 3.93Å; P248-V291 HydrophobicContact CB-CG2 4.06Å; M285-V291 HydrophobicContact CE-CB 4.37Å; M285-V291 HydrophobicContact CE-CG1 3.91Å; M285-V291 HydrophobicContact CE-CG2 4.14Å; M285-V291 HydrophobicContact CG-CG2 4.35Å; M285-V291 HydrophobicContact SD-CB 3.98Å; M285-V291 HydrophobicContact SD-CG1 4.05Å; M285-V291 HydrophobicContact SD-CG2 3.93Å; N287-V291 WeakPolarHBondContact O-CG2 3.3Å; N287-V291 PolarHBondContact O-N 3.01Å; N287-V291 VanDerWaalsContact O-N 3.11Å; P288-V291 PolarHBondContact O-N 2.9Å; D289-V291 VanDerWaalsContact C-N 3.3Å; D289-V291 PolarHBondContact O-N 3.35Å; V291-L293 VanDerWaalsContact C-N 3.28Å; V291-L293 PolarHBondContact O-N 3.02Å; V291-G294 PolarHBondContact O-N 3.21Å; V291-G294 VanDerWaalsContact O-N 3.11Å
292	Y	98.6	Very high	98.2	Very high	97 Å²	97	13.7 Å²	13.7	38%	0.38	7%	0.066	S	C	.	.	H	α-helix	trans	-59.5	-41.6	-179.5	-176.8	-84	0	0	0	111.8	E67 S68 R217 P288 D289 G294	E67-Y292 HydrophobicContact CB-CD2 4.39Å; E67-Y292 HydrophobicContact CB-CE2 4.39Å; E67-Y292 HydrophobicContact CG-CD2 3.63Å; E67-Y292 HydrophobicContact CG-CE2 4.08Å; E67-Y292 HydrophobicContact CG-CG 4.15Å; S68-Y292 PolarHBondContact N-O 3.16Å; R217-Y292 VanDerWaalsContact CZ-CD1 3.49Å; R217-Y292 VanDerWaalsContact NE-CD2 3.34Å; R217-Y292 VanDerWaalsContact NE-CG 3.27Å; P288-Y292 WeakPolarHBondContact O-CB 3.39Å; P288-Y292 PolarHBondContact O-N 3.1Å; D289-Y292 PolarHBondContact O-N 3.39Å; Y292-G294 VanDerWaalsContact C-N 3.25Å; Y292-G294 PolarHBondContact O-N 2.82Å
293	L	97.9	Very high	98.1	Very high	41 Å²	41	15.5 Å²	15.5	22%	0.215	7%	0.074	C	C	.	.	H	α-helix	trans	-72.8	-14.6	-179.9	-68.7	167.9	0	0	0	113.7	R87 D289 G290 V291 L300	R87-L293 PolarHBondContact NH2-O 3.4Å; D289-L293 WeakPolarHBondContact O-CB 3.12Å; D289-L293 WeakPolarHBondContact O-CD1 3.42Å; D289-L293 WeakPolarHBondContact O-CG 3.23Å; D289-L293 PolarHBondContact O-N 3.13Å; G290-L293 PolarHBondContact O-N 3.47Å; V291-L293 VanDerWaalsContact C-N 3.28Å; V291-L293 PolarHBondContact O-N 3.02Å; L293-L300 HydrophobicContact CD1-CB 4.26Å; L293-L300 HydrophobicContact CD1-CD1 3.6Å
294	G	98.1	Very high	98.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	32.6	-173.4	0	0	0	0	0	113.2	N70 G290 V291 Y292	N70-G294 WeakPolarHBondContact CB-O 3.46Å; N70-G294 PolarHBondContact ND2-O 3.05Å; G290-G294 PolarHBondContact O-N 3.08Å; V291-G294 PolarHBondContact O-N 3.21Å; V291-G294 VanDerWaalsContact O-N 3.11Å; Y292-G294 VanDerWaalsContact C-N 3.25Å; Y292-G294 PolarHBondContact O-N 2.82Å
295	N	98.2	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.			trans	-70.5	165.6	167.9	-71.2	-7.9	0	0	0	110.4	R87 D89 T90 P248 G249 G290 S298 S299	R87-N295 PolarHBondContact NH2-OD1 2.95Å; D89-N295 HydrophobicContact CB-CB 4.37Å; D89-N295 WeakPolarHBondContact OD1-CA 3.46Å; T90-N295 PolarHBondContact N-OD1 3.36Å; T90-N295 PolarHBondContact OG1-OD1 2.98Å; P248-N295 CarbonylContact C-O 3.51Å; P248-N295 HydrophobicContact CB-CB 4.07Å; P248-N295 WeakPolarHBondContact CB-O 3.44Å; P248-N295 HydrophobicContact CG-CB 4.15Å; G249-N295 PolarHBondContact N-O 2.59Å; G290-N295 WeakPolarHBondContact O-CB 3.13Å; G290-N295 PolarHBondContact O-N 2.87Å; N295-S298 PolarHBondContact ND2-O 3.19Å; N295-S298 VanDerWaalsContact ND2-O 3.15Å; N295-S299 PolarHBondContact ND2-O 3.14Å
296	Y	97.7	Very high	98	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.012	8%	0.079	C	C	.	.	S	Bend	trans	-97.4	-45.7	171.6	173.3	-111.1	0	0	0	112.4	D89 F95 V97 W98 K121 H247 G249 F421	D89-Y296 PolarHBondContact OD1-N 2.84Å; F95-Y296 HydrophobicContact CB-CD1 4.44Å; F95-Y296 HydrophobicContact CD1-CD1 4.26Å; V97-Y296 HydrophobicContact CB-CD1 3.78Å; V97-Y296 HydrophobicContact CB-CD2 3.73Å; V97-Y296 HydrophobicContact CB-CE1 4.19Å; V97-Y296 HydrophobicContact CB-CE2 4.18Å; V97-Y296 HydrophobicContact CB-CG 3.58Å; V97-Y296 HydrophobicContact CG1-CD1 4.37Å; V97-Y296 HydrophobicContact CG1-CD2 3.78Å; V97-Y296 HydrophobicContact CG1-CE1 4.36Å; V97-Y296 HydrophobicContact CG1-CE2 3.8Å; V97-Y296 HydrophobicContact CG1-CG 4.14Å; V97-Y296 HydrophobicContact CG2-CD1 3.71Å; V97-Y296 HydrophobicContact CG2-CE1 3.96Å; V97-Y296 HydrophobicContact CG2-CG 4.06Å; W98-Y296 HydrophobicContact CB-CD2 4.28Å; K121-Y296 PolarHBondContact NZ-OH 3.26Å; H247-Y296 CarbonylContact C-O 3.56Å; G249-Y296 WeakPolarHBondContact CA-O 3.46Å; G249-Y296 PolarHBondContact N-O 2.75Å; Y296-F421 HydrophobicContact CE2-CZ 4.38Å
297	R	97.8	Very high	97.9	Very high	18 Å²	18	18.3 Å²	18.3	7%	0.068	9%	0.086	C	C	.	.	S	Bend	trans	-125.4	-36.2	-165.4	-163.1	71.7	-175	68.1	-6.7	112.6	D89 F95 H247 D304	D89-R297 WeakPolarHBondContact OD2-CA 3.29Å; D89-R297 PolarHBondContact OD2-N 2.84Å; F95-R297 HydrophobicContact CB-CB 4.38Å; F95-R297 HydrophobicContact CD1-CB 3.96Å; F95-R297 HydrophobicContact CD1-CG 4.18Å; F95-R297 HydrophobicContact CD2-CB 3.71Å; F95-R297 HydrophobicContact CD2-CG 4.14Å; F95-R297 HydrophobicContact CE1-CB 4.16Å; F95-R297 HydrophobicContact CE1-CG 3.86Å; F95-R297 HydrophobicContact CE2-CB 3.92Å; F95-R297 HydrophobicContact CE2-CG 3.81Å; F95-R297 HydrophobicContact CG-CB 3.74Å; F95-R297 HydrophobicContact CG-CG 4.32Å; F95-R297 HydrophobicContact CZ-CB 4.15Å; F95-R297 HydrophobicContact CZ-CG 3.67Å; H247-R297 VanDerWaalsContact CD2-CZ 3.48Å; H247-R297 PolarHBondContact CD2-NH1 3.43Å; H247-R297 PolarHBondContact CE1-NH1 3.07Å; H247-R297 PolarHBondContact CE1-NH2 3.11Å; H247-R297 PolarHBondContact ND1-NH1 2.91Å; H247-R297 PolarHBondContact NE2-NH1 3.33Å; H247-R297 PolarHBondContact NE2-NH2 2.88Å; R297-D304 VanDerWaalsContact CZ-CG 3.43Å; R297-D304 IonicContact CZ-OD1 3.82Å; R297-D304 IonicContact CZ-OD2 2.72Å; R297-D304 IonicContact NE-OD2 3.58Å; R297-D304 IonicContact NH1-OD1 2.82Å; R297-D304 PolarHBondContact NH1-OD1 3.26Å; R297-D304 IonicContact NH1-OD2 3.92Å; R297-D304 PolarHBondContact NH1-OD2 3.19Å; R297-D304 VanDerWaalsContact NH2-CG 3.34Å; R297-D304 IonicContact NH2-OD1 2.75Å; R297-D304 PolarHBondContact NH2-OD1 3.19Å; R297-D304 IonicContact NH2-OD2 3.64Å; R297-D304 PolarHBondContact NH2-OD2 3.42Å
298	S	98	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.			trans	-101.9	153.7	-159.8	-41.5	0	0	0	0	113.1	D89 P248 N287 N295 F303	D89-S298 WeakPolarHBondContact OD2-CB 3.26Å; D89-S298 PolarHBondContact OD2-N 2.91Å; D89-S298 PolarHBondContact OD2-OG 3.03Å; P248-S298 WeakPolarHBondContact CG-O 3.1Å; N287-S298 PolarHBondContact ND2-O 3.44Å; N295-S298 PolarHBondContact ND2-O 3.19Å; N295-S298 VanDerWaalsContact ND2-O 3.15Å; S298-F303 CarbonylContact C-O 3.57Å; S298-F303 WeakPolarHBondContact CA-O 3.36Å
299	S	97.9	Very high	97.8	Very high	5 Å²	5	19.4 Å²	19.4	4%	0.035	9%	0.091	C	C	.	.			trans	-64.8	177.2	163.3	73.7	0	0	0	0	111.6	N287 N295 M301 G302 F303	N287-S299 PolarHBondContact ND2-N 2.99Å; N295-S299 PolarHBondContact ND2-O 3.14Å; S299-M301 PolarHBondContact O-N 3.23Å; S299-M301 PolarHBondContact OG-N 3.32Å; S299-G302 PolarHBondContact O-N 2.67Å; S299-F303 PolarHBondContact N-O 3.11Å; S299-F303 PolarHBondContact OG-N 2.82Å
300	L	96.2	Very high	97.7	Very high	38 Å²	38	24.1 Å²	24.1	20%	0.199	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.8	170.9	169.5	68.3	0	0	0	112.6	T90 I214 Q215 D289 L293 G302	T90-L300 HydrophobicContact CG2-CD1 4.09Å; I214-L300 HydrophobicContact CB-CD2 3.9Å; I214-L300 HydrophobicContact CD1-CD2 4.37Å; I214-L300 HydrophobicContact CG2-CD2 3.63Å; Q215-L300 HydrophobicContact CG-CD2 3.83Å; D289-L300 HydrophobicContact CB-CB 4.17Å; L293-L300 HydrophobicContact CD1-CB 4.26Å; L293-L300 HydrophobicContact CD1-CD1 3.6Å; L300-G302 PolarHBondContact O-N 3.28Å
301	M	96.5	Very high	97.6	Very high	56 Å²	56	29 Å²	29	28%	0.276	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.9	-177.9	-68.1	-173.1	175.2	0	0	113.2	I214 S299 F303 A316	I214-M301 HydrophobicContact CD1-CE 3.64Å; I214-M301 HydrophobicContact CD1-CG 3.71Å; I214-M301 HydrophobicContact CD1-SD 3.77Å; I214-M301 HydrophobicContact CG1-CE 4.29Å; I214-M301 HydrophobicContact CG2-CE 4.31Å; S299-M301 PolarHBondContact O-N 3.23Å; S299-M301 PolarHBondContact OG-N 3.32Å; M301-F303 HydrophobicContact CB-CD2 3.67Å; M301-F303 HydrophobicContact CB-CE2 3.74Å; M301-F303 HydrophobicContact SD-CE2 4.44Å; M301-A316 HydrophobicContact SD-CB 3.88Å
302	G	96.7	Very high	97.6	Very high	8 Å²	8	29.7 Å²	29.7	8%	0.082	15%	0.152	C	C	.	.	S	Bend	trans	83.8	6	176.4	0	0	0	0	0	115.1	T90 N92 S299 L300	T90-G302 WeakPolarHBondContact O-CA 3.24Å; T90-G302 PolarHBondContact O-N 3.06Å; N92-G302 PolarHBondContact ND2-O 2.94Å; S299-G302 PolarHBondContact O-N 2.67Å; L300-G302 PolarHBondContact O-N 3.28Å
303	F	97.5	Very high	97.5	Very high	37 Å²	37	25.6 Å²	25.6	16%	0.162	14%	0.137	C	C	.	.			trans	-85.6	139.5	179.5	-63	-67.7	0	0	0	112.6	L14 S298 S299 M301 L305 A316 H317	L14-F303 HydrophobicContact CD1-CE2 4.46Å; L14-F303 HydrophobicContact CD1-CZ 4.18Å; S298-F303 CarbonylContact C-O 3.57Å; S298-F303 WeakPolarHBondContact CA-O 3.36Å; S299-F303 PolarHBondContact N-O 3.11Å; S299-F303 PolarHBondContact OG-N 2.82Å; M301-F303 HydrophobicContact CB-CD2 3.67Å; M301-F303 HydrophobicContact CB-CE2 3.74Å; M301-F303 HydrophobicContact SD-CE2 4.44Å; F303-L305 PolarHBondContact O-N 3.29Å; F303-A316 HydrophobicContact CE2-CB 4.13Å; F303-H317 AromaticContact CD2-CD2 3.9Å; F303-H317 AromaticContact CD2-NE2 3.3Å; F303-H317 VanDerWaalsContact CD2-NE2 3.3Å; F303-H317 WeakPolarHBondContact CD2-NE2 3.28Å; F303-H317 AromaticContact CE2-NE2 3.81Å; F303-H317 AromaticContact CG-NE2 3.42Å; F303-H317 WeakPolarHBondContact CG-NE2 3.18Å
304	D	97.6	Very high	97.3	Very high	18 Å²	18	27.6 Å²	27.6	10%	0.096	15%	0.148	C	C	.	.			trans	-72.7	102.1	159.9	178.8	-2.8	0	0	0	109.1	H247 R297 N306 R307 Q308	H247-D304 IonicContact CD2-OD1 3.63Å; H247-D304 IonicContact NE2-OD1 3.97Å; R297-D304 VanDerWaalsContact CZ-CG 3.43Å; R297-D304 IonicContact CZ-OD1 3.82Å; R297-D304 IonicContact CZ-OD2 2.72Å; R297-D304 IonicContact NE-OD2 3.58Å; R297-D304 IonicContact NH1-OD1 2.82Å; R297-D304 PolarHBondContact NH1-OD1 3.26Å; R297-D304 IonicContact NH1-OD2 3.92Å; R297-D304 PolarHBondContact NH1-OD2 3.19Å; R297-D304 VanDerWaalsContact NH2-CG 3.34Å; R297-D304 IonicContact NH2-OD1 2.75Å; R297-D304 PolarHBondContact NH2-OD1 3.19Å; R297-D304 IonicContact NH2-OD2 3.64Å; R297-D304 PolarHBondContact NH2-OD2 3.42Å; D304-N306 PolarHBondContact O-N 3.06Å; D304-N306 PolarHBondContact OD1-N 3.05Å; D304-R307 HydrophobicContact CB-CB 4.47Å; D304-R307 HydrophobicContact CB-CG 4.01Å; D304-R307 PolarHBondContact O-N 3.44Å; D304-R307 WeakPolarHBondContact OD2-CG 3.46Å; D304-R307 IonicContact OD2-CZ 3.39Å; D304-R307 IonicContact OD2-NE 3.06Å; D304-R307 IonicContact OD2-NH1 2.99Å; D304-R307 PolarHBondContact OD2-NH1 3.36Å; D304-R307 IonicContact OD2-NH2 3.43Å; D304-Q308 WeakPolarHBondContact O-CG 3.44Å
305	L	98.5	Very high	97.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.1	-178.4	-67.6	-175.6	0	0	0	113.1	V246 N287 F303 R307 Q308 H317 I320	V246-L305 HydrophobicContact CG2-CB 3.58Å; N287-L305 HydrophobicContact CB-CD1 3.83Å; F303-L305 PolarHBondContact O-N 3.29Å; L305-R307 PolarHBondContact O-N 3.47Å; L305-R307 VanDerWaalsContact O-N 3.17Å; L305-Q308 PolarHBondContact O-N 2.8Å; L305-Q308 VanDerWaalsContact O-N 3.14Å; L305-H317 HydrophobicContact CD2-CB 4.24Å; L305-I320 HydrophobicContact CB-CD1 4.03Å; L305-I320 HydrophobicContact CB-CG1 3.83Å; L305-I320 HydrophobicContact CD1-CG1 4.44Å; L305-I320 HydrophobicContact CD2-CG1 4.23Å; L305-I320 HydrophobicContact CG-CG1 4.39Å
306	N	98.2	Very high	97	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-82.1	19.7	175	-163.6	24.4	0	0	0	112.8	V246 H247 D304 H345 T399 G400	V246-N306 HydrophobicContact CG1-CB 4.12Å; V246-N306 HydrophobicContact CG2-CB 4.06Å; H247-N306 WeakPolarHBondContact NE2-CB 3.49Å; D304-N306 PolarHBondContact O-N 3.06Å; D304-N306 PolarHBondContact OD1-N 3.05Å; N306-H345 PolarHBondContact ND2-CE1 3.29Å; N306-H345 VanDerWaalsContact ND2-CE1 3.28Å; N306-T399 VanDerWaalsContact O-CA 3.25Å; N306-T399 WeakPolarHBondContact O-CA 3.43Å; N306-T399 WeakPolarHBondContact O-CG2 3.45Å; N306-T399 WeakPolarHBondContact OD1-CA 3.29Å; N306-G400 PolarHBondContact OD1-N 3.26Å
307	R	97.3	Very high	97.1	Very high	39 Å²	39	34.2 Å²	34.2	15%	0.147	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-117.1	-1.8	163.3	-60.4	-65.6	179.7	-80	-6.8	112.2	E24 D304 L305 G398	E24-R307 IonicContact OE2-NH2 2.94Å; E24-R307 PolarHBondContact OE2-NH2 3.07Å; D304-R307 HydrophobicContact CB-CB 4.47Å; D304-R307 HydrophobicContact CB-CG 4.01Å; D304-R307 PolarHBondContact O-N 3.44Å; D304-R307 WeakPolarHBondContact OD2-CG 3.46Å; D304-R307 IonicContact OD2-CZ 3.39Å; D304-R307 IonicContact OD2-NE 3.06Å; D304-R307 IonicContact OD2-NH1 2.99Å; D304-R307 PolarHBondContact OD2-NH1 3.36Å; D304-R307 IonicContact OD2-NH2 3.43Å; L305-R307 PolarHBondContact O-N 3.47Å; L305-R307 VanDerWaalsContact O-N 3.17Å; R307-G398 CarbonylContact C-O 3.56Å; R307-G398 WeakPolarHBondContact CA-O 3.09Å
308	Q	97.6	Very high	97.1	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.131	18%	0.179	C	C	.	.			trans	-102.5	6.4	-170.7	-53.5	-54.5	-38.7	0	0	113.6	D304 L305 Q310 S311 P312 H317	D304-Q308 WeakPolarHBondContact O-CG 3.44Å; L305-Q308 PolarHBondContact O-N 2.8Å; L305-Q308 VanDerWaalsContact O-N 3.14Å; Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.06Å; Q308-S311 CarbonylContact O-C 3.51Å; Q308-P312 VanDerWaalsContact O-CA 3.28Å; Q308-P312 WeakPolarHBondContact O-CA 3.06Å; Q308-P312 WeakPolarHBondContact O-CB 3.36Å; Q308-P312 WeakPolarHBondContact O-CD 3.37Å; Q308-H317 HydrophobicContact CB-CB 4.43Å; Q308-H317 VanDerWaalsContact CD-CE1 3.49Å; Q308-H317 PolarHBondContact OE1-CE1 3.03Å
309	W	98.3	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-68.9	-27.9	-175.1	-76.7	88.8	0	0	0	113.6	L286 I320 T323 K324 L327 F341 G398 G400 T403 L404	L286-W309 HydrophobicContact CD1-CZ2 4.13Å; W309-I320 HydrophobicContact CD2-CG2 3.69Å; W309-I320 HydrophobicContact CE3-CG2 4.03Å; W309-I320 HydrophobicContact CG-CG2 3.91Å; W309-I320 HydrophobicContact CZ2-CD1 4.08Å; W309-I320 HydrophobicContact CZ2-CG2 4.5Å; W309-T323 HydrophobicContact CH2-CG2 3.82Å; W309-T323 HydrophobicContact CZ3-CG2 4.44Å; W309-K324 HydrophobicContact CE3-CB 4.13Å; W309-K324 HydrophobicContact CE3-CG 4.49Å; W309-K324 HydrophobicContact CZ3-CB 4.02Å; W309-K324 WeakPolarHBondContact O-CD 3.39Å; W309-K324 WeakPolarHBondContact O-CE 3.27Å; W309-K324 PolarHBondContact O-NZ 3.43Å; W309-L327 HydrophobicContact CH2-CD1 4.49Å; W309-L327 HydrophobicContact CZ3-CD1 4.26Å; W309-F341 HydrophobicContact CH2-CE2 4.18Å; W309-F341 HydrophobicContact CH2-CZ 4.12Å; W309-F341 HydrophobicContact CZ2-CZ 4.17Å; W309-G398 WeakPolarHBondContact CB-O 3.41Å; W309-G398 PolarHBondContact N-O 2.68Å; W309-G400 VanDerWaalsContact CD1-CA 3.42Å; W309-G400 VanDerWaalsContact CG-CA 3.41Å; W309-T403 HydrophobicContact CB-CG2 4.15Å; W309-L404 HydrophobicContact CE3-CD1 4.04Å; W309-L404 HydrophobicContact CE3-CD2 4.24Å; W309-L404 HydrophobicContact CE3-CG 4.15Å; W309-L404 HydrophobicContact CH2-CD1 4.23Å; W309-L404 HydrophobicContact CZ3-CD1 3.77Å; W309-L404 HydrophobicContact CZ3-CD2 4.26Å; W309-L404 HydrophobicContact CZ3-CG 4.29Å
310	Q	95.9	Very high	97.2	Very high	104 Å²	104	34.5 Å²	34.5	49%	0.486	18%	0.179	S	C	.	.	S	Bend	trans	-60.6	-49.6	178.9	-75.9	176.1	-10.8	0	0	111.7	Q308 K324 A397 T403	Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.06Å; Q310-K324 PolarHBondContact O-NZ 2.89Å; Q310-A397 VanDerWaalsContact NE2-C 3.28Å; Q310-A397 PolarHBondContact NE2-O 3.36Å; Q310-A397 VanDerWaalsContact NE2-O 3.16Å; Q310-T403 HydrophobicContact CG-CG2 4.23Å; Q310-T403 WeakPolarHBondContact CG-OG1 3.46Å
311	S	96.5	Very high	97.3	Very high	104 Å²	104	36.4 Å²	36.4	73%	0.727	18%	0.184	S	C	*	.	S	Bend	trans	-145.9	71.4	-178.5	-56.8	0	0	0	0	110.5	Q308	Q308-S311 CarbonylContact O-C 3.51Å
312	P	97.6	Very high	97.4	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.104	18%	0.179	C	C	.	.			trans	-67	138	179	27.5	-32.6	0	0	0	109.7	Q308 H317 I320 Y321 K324	Q308-P312 VanDerWaalsContact O-CA 3.28Å; Q308-P312 WeakPolarHBondContact O-CA 3.06Å; Q308-P312 WeakPolarHBondContact O-CB 3.36Å; Q308-P312 WeakPolarHBondContact O-CD 3.37Å; P312-H317 HydrophobicContact CB-CB 4.04Å; P312-I320 HydrophobicContact CB-CB 4.07Å; P312-I320 HydrophobicContact CB-CG2 3.84Å; P312-I320 HydrophobicContact CG-CG2 4.18Å; P312-Y321 HydrophobicContact CG-CD2 4.25Å; P312-Y321 WeakPolarHBondContact O-CD2 3.48Å; P312-K324 HydrophobicContact CG-CD 4.04Å
313	S	97	Very high	97.5	Very high	11 Å²	11	34.3 Å²	34.3	8%	0.077	18%	0.175	C	C	.	.			trans	-82.8	138.3	171.8	174.8	0	0	0	0	109.3	D13 W315 H317	D13-S313 WeakPolarHBondContact OD2-CB 3.5Å; D13-S313 PolarHBondContact OD2-OG 3.47Å; S313-W315 PolarHBondContact O-N 3.09Å; S313-W315 PolarHBondContact OG-N 3.32Å; S313-H317 PolarHBondContact N-ND1 3.49Å; S313-H317 CarbonylContact O-C 3.55Å; S313-H317 VanDerWaalsContact O-C 3.24Å; S313-H317 WeakPolarHBondContact O-CA 3.44Å; S313-H317 PolarHBondContact O-N 2.84Å
314	L	94.9	Very high	97.5	Very high	82 Å²	82	34.1 Å²	34.1	43%	0.429	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.1	174.9	178.6	63	0	0	0	112	P318 Y321	L314-P318 WeakPolarHBondContact O-CB 3.36Å; L314-Y321 HydrophobicContact CB-CD2 4.38Å; L314-Y321 HydrophobicContact CB-CE2 4.45Å; L314-Y321 HydrophobicContact CB-CG 4.41Å; L314-Y321 HydrophobicContact CD1-CD1 3.56Å; L314-Y321 HydrophobicContact CD1-CE1 3.72Å; L314-Y321 HydrophobicContact CD1-CG 4.18Å
315	W	94.3	Very high	97.6	Very high	124 Å²	124	37 Å²	37	47%	0.47	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-40.1	-173.8	-52.6	108.2	0	0	0	113	F10 S313	F10-W315 HydrophobicContact CD2-CB 4.36Å; S313-W315 PolarHBondContact O-N 3.09Å; S313-W315 PolarHBondContact OG-N 3.32Å
316	A	96	Very high	97.6	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-30.7	-178.3	0	0	0	0	0	113.3	M301 F303	M301-A316 HydrophobicContact SD-CB 3.88Å; F303-A316 HydrophobicContact CE2-CB 4.13Å
317	H	97.9	Very high	97.6	Very high	10 Å²	10	38 Å²	38	5%	0.046	19%	0.192	C	C	.	.	S	Bend	trans	-127.6	45.5	-174.6	-43	133	0	0	0	111.8	F303 L305 Q308 P312 S313 T319 I320 Y321	F303-H317 AromaticContact CD2-CD2 3.9Å; F303-H317 AromaticContact CD2-NE2 3.3Å; F303-H317 VanDerWaalsContact CD2-NE2 3.3Å; F303-H317 WeakPolarHBondContact CD2-NE2 3.28Å; F303-H317 AromaticContact CE2-NE2 3.81Å; F303-H317 AromaticContact CG-NE2 3.42Å; F303-H317 WeakPolarHBondContact CG-NE2 3.18Å; L305-H317 HydrophobicContact CD2-CB 4.24Å; Q308-H317 HydrophobicContact CB-CB 4.43Å; Q308-H317 VanDerWaalsContact CD-CE1 3.49Å; Q308-H317 PolarHBondContact OE1-CE1 3.03Å; P312-H317 HydrophobicContact CB-CB 4.04Å; S313-H317 PolarHBondContact N-ND1 3.49Å; S313-H317 CarbonylContact O-C 3.55Å; S313-H317 VanDerWaalsContact O-C 3.24Å; S313-H317 WeakPolarHBondContact O-CA 3.44Å; S313-H317 PolarHBondContact O-N 2.84Å; H317-T319 PolarHBondContact O-N 3.35Å; H317-I320 HydrophobicContact CB-CB 4.39Å; H317-I320 PolarHBondContact O-N 2.9Å; H317-I320 VanDerWaalsContact O-N 3.1Å; H317-Y321 PolarHBondContact O-N 3.23Å
318	P	98.4	Very high	97.6	Very high	24 Å²	24	37.7 Å²	37.7	16%	0.156	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-33.6	-168.9	22	-33.9	0	0	0	113	L212 I214 L314 A322	L212-P318 WeakPolarHBondContact O-CB 3.43Å; I214-P318 HydrophobicContact CG1-CG 4.17Å; L314-P318 WeakPolarHBondContact O-CB 3.36Å; P318-A322 VanDerWaalsContact O-CB 3.3Å; P318-A322 WeakPolarHBondContact O-CB 3.3Å; P318-A322 PolarHBondContact O-N 2.89Å
319	T	98.7	Very high	97.6	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-45.2	-179.6	60	0	0	0	0	112.7	T213 L219 L286 H317 T323	T213-T319 HydrophobicContact CG2-CG2 3.79Å; L219-T319 HydrophobicContact CB-CG2 4.41Å; L219-T319 HydrophobicContact CD1-CG2 3.94Å; L219-T319 HydrophobicContact CD2-CG2 4.14Å; L219-T319 HydrophobicContact CG-CG2 4.41Å; L286-T319 WeakPolarHBondContact O-CB 3.34Å; L286-T319 WeakPolarHBondContact O-CG2 3.16Å; L286-T319 PolarHBondContact O-OG1 3.44Å; H317-T319 PolarHBondContact O-N 3.35Å; T319-T323 WeakPolarHBondContact O-CB 3.27Å; T319-T323 PolarHBondContact O-N 3.07Å; T319-T323 PolarHBondContact O-OG1 3.44Å
320	I	98.8	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-40.5	175.7	-55.5	-56.3	0	0	0	110.5	V246 L286 L305 W309 P312 H317 K324	V246-I320 HydrophobicContact CG2-CD1 4.21Å; L286-I320 HydrophobicContact CD1-CD1 4.32Å; L286-I320 HydrophobicContact CD2-CD1 4.33Å; L305-I320 HydrophobicContact CB-CD1 4.03Å; L305-I320 HydrophobicContact CB-CG1 3.83Å; L305-I320 HydrophobicContact CD1-CG1 4.44Å; L305-I320 HydrophobicContact CD2-CG1 4.23Å; L305-I320 HydrophobicContact CG-CG1 4.39Å; W309-I320 HydrophobicContact CD2-CG2 3.69Å; W309-I320 HydrophobicContact CE3-CG2 4.03Å; W309-I320 HydrophobicContact CG-CG2 3.91Å; W309-I320 HydrophobicContact CZ2-CD1 4.08Å; W309-I320 HydrophobicContact CZ2-CG2 4.5Å; P312-I320 HydrophobicContact CB-CB 4.07Å; P312-I320 HydrophobicContact CB-CG2 3.84Å; P312-I320 HydrophobicContact CG-CG2 4.18Å; H317-I320 HydrophobicContact CB-CB 4.39Å; H317-I320 PolarHBondContact O-N 2.9Å; H317-I320 VanDerWaalsContact O-N 3.1Å; I320-K324 WeakPolarHBondContact O-CB 3.38Å; I320-K324 PolarHBondContact O-N 3.12Å
321	Y	98.7	Very high	97.5	Very high	78 Å²	78	38.1 Å²	38.1	31%	0.306	20%	0.199	S	C	.	.	H	α-helix	trans	-58.3	-53.9	175.5	-175.2	-86.3	0	0	0	111.3	P312 L314 H317 T323 K324 Q325	P312-Y321 HydrophobicContact CG-CD2 4.25Å; P312-Y321 WeakPolarHBondContact O-CD2 3.48Å; L314-Y321 HydrophobicContact CB-CD2 4.38Å; L314-Y321 HydrophobicContact CB-CE2 4.45Å; L314-Y321 HydrophobicContact CB-CG 4.41Å; L314-Y321 HydrophobicContact CD1-CD1 3.56Å; L314-Y321 HydrophobicContact CD1-CE1 3.72Å; L314-Y321 HydrophobicContact CD1-CG 4.18Å; H317-Y321 PolarHBondContact O-N 3.23Å; Y321-T323 PolarHBondContact O-N 2.93Å; Y321-K324 PolarHBondContact O-N 3.16Å; Y321-Q325 HydrophobicContact CD1-CG 3.93Å; Y321-Q325 HydrophobicContact CE1-CG 3.57Å; Y321-Q325 WeakPolarHBondContact O-CB 3.46Å; Y321-Q325 VanDerWaalsContact O-CG 3.28Å; Y321-Q325 WeakPolarHBondContact O-CG 3.37Å; Y321-Q325 PolarHBondContact O-N 3.47Å
322	A	98.7	Very high	97.5	Very high	20 Å²	20	39.1 Å²	39.1	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-43.2	-178.2	0	0	0	0	0	112.4	L210 L219 P318 Q325 L326	L210-A322 HydrophobicContact CG-CB 4.17Å; L219-A322 HydrophobicContact CD2-CB 4.26Å; P318-A322 VanDerWaalsContact O-CB 3.3Å; P318-A322 WeakPolarHBondContact O-CB 3.3Å; P318-A322 PolarHBondContact O-N 2.89Å; A322-Q325 PolarHBondContact O-N 3.45Å; A322-L326 PolarHBondContact O-N 3.45Å
323	T	98.8	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-42.6	177	-57.3	0	0	0	0	112.2	F241 T243 V283 L286 W309 T319 Y321 L326 L327	F241-T323 HydrophobicContact CE1-CG2 3.79Å; F241-T323 HydrophobicContact CZ-CG2 3.98Å; T243-T323 HydrophobicContact CG2-CG2 4.11Å; V283-T323 HydrophobicContact CG2-CG2 4.23Å; L286-T323 HydrophobicContact CD2-CG2 4.24Å; L286-T323 WeakPolarHBondContact CD2-OG1 3.4Å; W309-T323 HydrophobicContact CH2-CG2 3.82Å; W309-T323 HydrophobicContact CZ3-CG2 4.44Å; T319-T323 WeakPolarHBondContact O-CB 3.27Å; T319-T323 PolarHBondContact O-N 3.07Å; T319-T323 PolarHBondContact O-OG1 3.44Å; Y321-T323 PolarHBondContact O-N 2.93Å; T323-L326 PolarHBondContact O-N 3.27Å; T323-L327 HydrophobicContact CG2-CD1 4.33Å; T323-L327 PolarHBondContact O-N 2.72Å
324	K	98.5	Very high	97	Very high	32 Å²	32	45 Å²	45	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-46.2	175.6	-175.9	-179.7	-179.6	178.3	0	111.3	W309 Q310 P312 I320 Y321 L326 L327 M328	W309-K324 HydrophobicContact CE3-CB 4.13Å; W309-K324 HydrophobicContact CE3-CG 4.49Å; W309-K324 HydrophobicContact CZ3-CB 4.02Å; W309-K324 WeakPolarHBondContact O-CD 3.39Å; W309-K324 WeakPolarHBondContact O-CE 3.27Å; W309-K324 PolarHBondContact O-NZ 3.43Å; Q310-K324 PolarHBondContact O-NZ 2.89Å; P312-K324 HydrophobicContact CG-CD 4.04Å; I320-K324 WeakPolarHBondContact O-CB 3.38Å; I320-K324 PolarHBondContact O-N 3.12Å; Y321-K324 PolarHBondContact O-N 3.16Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 3.11Å; K324-L327 PolarHBondContact O-N 3.5Å; K324-M328 HydrophobicContact CG-CG 4.31Å; K324-M328 VanDerWaalsContact O-CG 3.27Å; K324-M328 WeakPolarHBondContact O-CG 3.48Å; K324-M328 PolarHBondContact O-N 3.13Å
325	Q	98.3	Very high	96.9	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-44.2	177.4	-75.1	-68.1	-22.6	0	0	111.8	Y321 A322 L327 M328 N329	Y321-Q325 HydrophobicContact CD1-CG 3.93Å; Y321-Q325 HydrophobicContact CE1-CG 3.57Å; Y321-Q325 WeakPolarHBondContact O-CB 3.46Å; Y321-Q325 VanDerWaalsContact O-CG 3.28Å; Y321-Q325 WeakPolarHBondContact O-CG 3.37Å; Y321-Q325 PolarHBondContact O-N 3.47Å; A322-Q325 PolarHBondContact O-N 3.45Å; Q325-L327 PolarHBondContact O-N 2.8Å; Q325-M328 PolarHBondContact O-N 3.02Å; Q325-N329 WeakPolarHBondContact O-CB 3.37Å; Q325-N329 PolarHBondContact O-N 2.86Å; Q325-N329 PolarHBondContact O-ND2 3.07Å
326	L	98.5	Very high	96.9	Very high	31 Å²	31	40.2 Å²	40.2	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-46.3	174.6	173.8	63	0	0	0	112.1	L210 L221 F241 A322 T323 K324 N329 L330	L210-L326 HydrophobicContact CD1-CB 4.11Å; L210-L326 HydrophobicContact CD1-CD2 3.82Å; L210-L326 HydrophobicContact CD1-CG 4.49Å; L210-L326 HydrophobicContact CD2-CD2 4.13Å; L221-L326 HydrophobicContact CD1-CD2 3.86Å; L221-L326 HydrophobicContact CD2-CD2 3.58Å; L221-L326 HydrophobicContact CG-CD2 4.32Å; F241-L326 HydrophobicContact CE2-CD2 3.76Å; F241-L326 HydrophobicContact CE2-CG 4.09Å; F241-L326 HydrophobicContact CZ-CD2 3.86Å; F241-L326 HydrophobicContact CZ-CG 4.47Å; A322-L326 PolarHBondContact O-N 3.45Å; T323-L326 PolarHBondContact O-N 3.27Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 3.11Å; L326-N329 PolarHBondContact O-N 3.09Å; L326-L330 HydrophobicContact CD1-CD1 4.09Å; L326-L330 HydrophobicContact CD1-CG 4.2Å; L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.38Å; L326-L330 PolarHBondContact O-N 3.18Å
327	L	98	Very high	96.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-46.1	177.6	-86.9	163.4	0	0	0	112	F241 W309 T323 K324 Q325 N329 L330 D331 V338 F341 L404	F241-L327 HydrophobicContact CB-CD2 3.83Å; F241-L327 HydrophobicContact CD1-CD1 4.23Å; F241-L327 HydrophobicContact CD1-CD2 4.1Å; F241-L327 HydrophobicContact CD1-CG 4.28Å; F241-L327 HydrophobicContact CD2-CD2 3.43Å; F241-L327 VanDerWaalsContact CD2-CD2 3.43Å; F241-L327 HydrophobicContact CD2-CG 3.91Å; F241-L327 HydrophobicContact CE1-CD1 4.26Å; F241-L327 HydrophobicContact CE1-CG 4.29Å; F241-L327 HydrophobicContact CE2-CD2 3.97Å; F241-L327 HydrophobicContact CE2-CG 3.92Å; F241-L327 HydrophobicContact CG-CD1 4.47Å; F241-L327 HydrophobicContact CG-CD2 3.51Å; F241-L327 HydrophobicContact CG-CG 4.1Å; F241-L327 HydrophobicContact CZ-CG 4.11Å; W309-L327 HydrophobicContact CH2-CD1 4.49Å; W309-L327 HydrophobicContact CZ3-CD1 4.26Å; T323-L327 HydrophobicContact CG2-CD1 4.33Å; T323-L327 PolarHBondContact O-N 2.72Å; K324-L327 PolarHBondContact O-N 3.5Å; Q325-L327 PolarHBondContact O-N 2.8Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.44Å; L327-L330 PolarHBondContact O-N 3.47Å; L327-D331 WeakPolarHBondContact O-CB 3.1Å; L327-D331 PolarHBondContact O-N 2.79Å; L327-V338 HydrophobicContact CD2-CG1 4.38Å; L327-F341 HydrophobicContact CD1-CD2 3.78Å; L327-F341 HydrophobicContact CD1-CE2 3.87Å; L327-F341 HydrophobicContact CD2-CD2 4.48Å; L327-L404 HydrophobicContact CD1-CD1 3.73Å; L327-L404 HydrophobicContact CD1-CD2 4.21Å
328	M	97.9	Very high	96.7	Very high	33 Å²	33	40.6 Å²	40.6	16%	0.163	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-40	176.1	-63.2	-67.9	93.3	0	0	111.8	K324 Q325 L330 D331 N332 L404 I407 L408	K324-M328 HydrophobicContact CG-CG 4.31Å; K324-M328 VanDerWaalsContact O-CG 3.27Å; K324-M328 WeakPolarHBondContact O-CG 3.48Å; K324-M328 PolarHBondContact O-N 3.13Å; Q325-M328 PolarHBondContact O-N 3.02Å; M328-L330 VanDerWaalsContact C-N 3.33Å; M328-D331 PolarHBondContact O-N 3.4Å; M328-N332 WeakPolarHBondContact O-CB 3.36Å; M328-N332 PolarHBondContact O-N 2.67Å; M328-N332 PolarHBondContact O-ND2 3Å; M328-L404 HydrophobicContact CE-CD2 4.19Å; M328-I407 HydrophobicContact CE-CD1 3.62Å; M328-I407 HydrophobicContact CE-CG1 3.8Å; M328-I407 HydrophobicContact SD-CD1 3.73Å; M328-I407 HydrophobicContact SD-CG1 4.27Å; M328-L408 HydrophobicContact CE-CD2 3.22Å; M328-L408 HydrophobicContact CE-CG 3.94Å
329	N	97.7	Very high	96.7	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-34.1	177.5	-70	-17.7	0	0	0	112.4	Q325 L326 L327 N333	Q325-N329 WeakPolarHBondContact O-CB 3.37Å; Q325-N329 PolarHBondContact O-N 2.86Å; Q325-N329 PolarHBondContact O-ND2 3.07Å; L326-N329 PolarHBondContact O-N 3.09Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.44Å; N329-N333 WeakPolarHBondContact O-CB 3.3Å; N329-N333 PolarHBondContact O-N 3.08Å
330	L	96.6	Very high	96.7	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.12	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-43.3	174.6	-71.3	168.6	0	0	0	111.4	V239 F241 K281 L326 L327 M328 N333 I336 V338	V239-L330 HydrophobicContact CG1-CD1 4.48Å; F241-L330 HydrophobicContact CD2-CD1 4.01Å; F241-L330 HydrophobicContact CE2-CD1 3.96Å; K281-L330 HydrophobicContact CG-CD1 4.3Å; L326-L330 HydrophobicContact CD1-CD1 4.09Å; L326-L330 HydrophobicContact CD1-CG 4.2Å; L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.38Å; L326-L330 PolarHBondContact O-N 3.18Å; L327-L330 PolarHBondContact O-N 3.47Å; M328-L330 VanDerWaalsContact C-N 3.33Å; L330-N333 WeakPolarHBondContact O-CB 3.43Å; L330-N333 PolarHBondContact O-N 2.82Å; L330-I336 HydrophobicContact CB-CG2 4.25Å; L330-I336 HydrophobicContact CD2-CG2 4.37Å; L330-I336 WeakPolarHBondContact O-CB 3.41Å; L330-I336 WeakPolarHBondContact O-CG2 3.33Å; L330-V338 HydrophobicContact CB-CG2 3.9Å
331	D	96.3	Very high	96.7	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-42.3	-179.9	-162.6	61.2	0	0	0	112	L327 M328 N333 L408 D409	L327-D331 WeakPolarHBondContact O-CB 3.1Å; L327-D331 PolarHBondContact O-N 2.79Å; M328-D331 PolarHBondContact O-N 3.4Å; D331-N333 PolarHBondContact O-N 3.46Å; D331-L408 HydrophobicContact CB-CD2 3.58Å; D331-L408 VanDerWaalsContact CG-CD2 3.43Å; D331-L408 WeakPolarHBondContact OD2-CA 3.28Å; D331-D409 PolarHBondContact OD1-N 2.78Å; D331-D409 PolarHBondContact OD2-N 3.38Å
332	N	95.6	Very high	96.7	Very high	125 Å²	125	36.4 Å²	36.4	67%	0.668	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-7.4	176.6	-71.6	-56.3	0	0	0	114.1	M328 P334	M328-N332 WeakPolarHBondContact O-CB 3.36Å; M328-N332 PolarHBondContact O-N 2.67Å; M328-N332 PolarHBondContact O-ND2 3Å; N332-P334 WeakPolarHBondContact O-CD 3.33Å
333	N	93.5	Very high	96.7	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	19%	0.185	S	C	.	.			trans	-81.4	119.8	-179.4	-176.7	-36.6	0	0	0	110.3	N329 L330 D331 F335 I336	N329-N333 WeakPolarHBondContact O-CB 3.3Å; N329-N333 PolarHBondContact O-N 3.08Å; L330-N333 WeakPolarHBondContact O-CB 3.43Å; L330-N333 PolarHBondContact O-N 2.82Å; D331-N333 PolarHBondContact O-N 3.46Å; N333-F335 PolarHBondContact O-N 3.04Å; N333-F335 PolarHBondContact OD1-N 2.67Å; N333-I336 HydrophobicContact CB-CB 4.07Å; N333-I336 HydrophobicContact CB-CG1 3.93Å; N333-I336 PolarHBondContact O-N 3.03Å
334	P	91.5	Very high	96.7	Very high	88 Å²	88	35.5 Å²	35.5	57%	0.571	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.6	-175.1	27.1	-35.8	0	0	0	114.3	K236 N332	K236-P334 WeakPolarHBondContact CE-O 3.26Å; K236-P334 WeakPolarHBondContact CG-O 3.21Å; N332-P334 WeakPolarHBondContact O-CD 3.33Å
335	F	91.6	Very high	96.7	Very high	86 Å²	86	34 Å²	34	38%	0.377	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.2	176.8	-54.8	-73.7	0	0	0	113.3	K236 K237 N333	K236-F335 CarbonylContact C-O 3.58Å; K236-F335 VanDerWaalsContact CA-O 3.27Å; K236-F335 WeakPolarHBondContact CA-O 3.48Å; K237-F335 PolarHBondContact N-O 3.37Å; N333-F335 PolarHBondContact O-N 3.04Å; N333-F335 PolarHBondContact OD1-N 2.67Å
336	I	94	Very high	96.7	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.108	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.5	179.5	-60.1	-61.2	0	0	0	109.5	K237 V239 I279 L330 N333 V338	K237-I336 HydrophobicContact CB-CD1 4.02Å; K237-I336 WeakPolarHBondContact O-CA 3.47Å; V239-I336 HydrophobicContact CB-CG2 4.28Å; V239-I336 HydrophobicContact CG2-CD1 4.44Å; V239-I336 HydrophobicContact CG2-CG2 3.57Å; I279-I336 HydrophobicContact CD1-CD1 4.46Å; L330-I336 HydrophobicContact CB-CG2 4.25Å; L330-I336 HydrophobicContact CD2-CG2 4.37Å; L330-I336 WeakPolarHBondContact O-CB 3.41Å; L330-I336 WeakPolarHBondContact O-CG2 3.33Å; N333-I336 HydrophobicContact CB-CB 4.07Å; N333-I336 HydrophobicContact CB-CG1 3.93Å; N333-I336 PolarHBondContact O-N 3.03Å; I336-V338 HydrophobicContact CG2-CG2 4.1Å
337	D	94.1	Very high	96.6	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	98.7	179.2	-174.6	42	0	0	0	107.5	K236 K237 R238 V239 N339 H411	K236-D337 HydrophobicContact CB-CB 4.24Å; K236-D337 HydrophobicContact CD-CB 4.28Å; K237-D337 PolarHBondContact O-N 2.9Å; R238-D337 CarbonylContact C-O 3.58Å; R238-D337 VanDerWaalsContact CA-O 3.31Å; R238-D337 WeakPolarHBondContact CA-O 3.42Å; R238-D337 HydrophobicContact CG-CB 4.38Å; V239-D337 PolarHBondContact N-O 3.19Å; D337-N339 PolarHBondContact O-N 3.41Å; D337-N339 VanDerWaalsContact O-N 3.16Å; D337-N339 PolarHBondContact O-ND2 3.25Å; D337-N339 PolarHBondContact OD2-ND2 3.03Å; D337-H411 IonicContact OD1-CD2 3.21Å; D337-H411 PolarHBondContact OD1-CD2 2.68Å; D337-H411 IonicContact OD1-CE1 2.6Å; D337-H411 PolarHBondContact OD1-CE1 2.92Å; D337-H411 VanDerWaalsContact OD1-CE1 3.23Å; D337-H411 IonicContact OD1-CG 3.79Å; D337-H411 IonicContact OD1-ND1 3.71Å; D337-H411 IonicContact OD1-NE2 3.57Å; D337-H411 PolarHBondContact OD1-NE2 2.68Å
338	V	97.4	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	98.9	-177.3	-176.6	0	0	0	0	108.5	V239 L327 L330 I336 H411 T412	V239-V338 HydrophobicContact CB-CG2 4.39Å; L327-V338 HydrophobicContact CD2-CG1 4.38Å; L330-V338 HydrophobicContact CB-CG2 3.9Å; I336-V338 HydrophobicContact CG2-CG2 4.1Å; V338-H411 PolarHBondContact N-NE2 2.83Å; V338-H411 PolarHBondContact O-CD2 3.47Å; V338-H411 PolarHBondContact O-NE2 3.46Å; V338-H411 VanDerWaalsContact O-NE2 3.14Å; V338-T412 HydrophobicContact CG1-CG2 4.02Å; V338-T412 WeakPolarHBondContact O-CA 3.41Å; V338-T412 VanDerWaalsContact O-CB 3.22Å; V338-T412 WeakPolarHBondContact O-CB 3.36Å; V338-T412 VanDerWaalsContact O-CG2 3.28Å; V338-T412 WeakPolarHBondContact O-CG2 3.39Å; V338-T412 PolarHBondContact O-OG1 3.02Å
339	N	97.1	Very high	96.1	Very high	18 Å²	18	32 Å²	32	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-35.6	-174.3	-72.7	-176.4	0	0	0	112.6	R238 V239 D337 I413 Y455	R238-N339 WeakPolarHBondContact CD-OD1 3.14Å; R238-N339 WeakPolarHBondContact CG-OD1 3.33Å; V239-N339 PolarHBondContact O-N 3.43Å; D337-N339 PolarHBondContact O-N 3.41Å; D337-N339 VanDerWaalsContact O-N 3.16Å; D337-N339 PolarHBondContact O-ND2 3.25Å; D337-N339 PolarHBondContact OD2-ND2 3.03Å; N339-I413 PolarHBondContact O-N 3.35Å; N339-Y455 WeakPolarHBondContact CB-OH 3.41Å; N339-Y455 PolarHBondContact OD1-OH 2.69Å
340	F	98.5	Very high	96	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.3	-175.1	-70.1	-92.6	0	0	0	112.3	V240 F241 F372 I413 Y415 F451 Y454	V240-F340 HydrophobicContact CG1-CB 4.23Å; V240-F340 HydrophobicContact CG2-CB 4.4Å; V240-F340 HydrophobicContact CG2-CD2 4.19Å; F241-F340 PolarHBondContact N-O 3.35Å; F340-F372 HydrophobicContact CE1-CB 4.1Å; F340-F372 AromaticContact CE1-CD2 3.8Å; F340-F372 HydrophobicContact CE1-CD2 3.8Å; F340-F372 HydrophobicContact CE1-CE2 4.45Å; F340-F372 AromaticContact CE1-CG 3.98Å; F340-F372 HydrophobicContact CE1-CG 3.98Å; F340-F372 AromaticContact CZ-CD2 3.86Å; F340-F372 HydrophobicContact CZ-CD2 3.86Å; F340-F372 HydrophobicContact CZ-CE2 4.5Å; F340-F372 HydrophobicContact CZ-CG 4.43Å; F340-I413 WeakPolarHBondContact CA-O 3.38Å; F340-I413 HydrophobicContact CD1-CB 4.45Å; F340-Y415 HydrophobicContact CD1-CD2 4.28Å; F340-Y415 AromaticContact CD1-CE2 3.82Å; F340-Y415 HydrophobicContact CD1-CE2 3.82Å; F340-Y415 AromaticContact CE1-CE2 3.84Å; F340-Y415 HydrophobicContact CE1-CE2 3.84Å; F340-F451 HydrophobicContact CB-CE1 4.24Å; F340-F451 HydrophobicContact CD1-CE1 4.16Å; F340-F451 HydrophobicContact CD2-CD1 4.4Å; F340-F451 AromaticContact CD2-CE1 3.76Å; F340-F451 HydrophobicContact CD2-CE1 3.76Å; F340-F451 HydrophobicContact CE1-CE1 4.45Å; F340-F451 HydrophobicContact CE2-CD1 4.41Å; F340-F451 HydrophobicContact CE2-CE1 4.09Å; F340-F451 AromaticContact CG-CE1 3.8Å; F340-F451 HydrophobicContact CG-CE1 3.8Å; F340-F451 HydrophobicContact CG-CZ 4.49Å; F340-F451 HydrophobicContact CZ-CE1 4.42Å; F340-Y454 HydrophobicContact CE2-CD1 4.03Å; F340-Y454 AromaticContact CE2-CE1 3.71Å; F340-Y454 HydrophobicContact CE2-CE1 3.71Å; F340-Y454 AromaticContact CZ-CD1 3.99Å; F340-Y454 HydrophobicContact CZ-CD1 3.99Å; F340-Y454 HydrophobicContact CZ-CD2 4.24Å; F340-Y454 AromaticContact CZ-CE1 3.66Å; F340-Y454 HydrophobicContact CZ-CE1 3.66Å; F340-Y454 AromaticContact CZ-CE2 3.91Å; F340-Y454 HydrophobicContact CZ-CE2 3.91Å; F340-Y454 HydrophobicContact CZ-CG 4.29Å; F340-Y454 AromaticContact CZ-CZ 3.63Å
341	F	98.7	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.8	157.9	171.2	-94.6	0	0	0	108.5	F241 T243 W309 L327 D343 L404 I413 C414 Y415	F241-F341 HydrophobicContact CB-CD2 4.38Å; F241-F341 HydrophobicContact CD1-CD2 4.09Å; F241-F341 HydrophobicContact CD1-CE2 4.31Å; F241-F341 CarbonylContact O-C 3.58Å; F241-F341 VanDerWaalsContact O-CA 3.29Å; F241-F341 WeakPolarHBondContact O-CA 3.29Å; T243-F341 HydrophobicContact CG2-CE2 3.78Å; T243-F341 HydrophobicContact CG2-CZ 4.35Å; W309-F341 HydrophobicContact CH2-CE2 4.18Å; W309-F341 HydrophobicContact CH2-CZ 4.12Å; W309-F341 HydrophobicContact CZ2-CZ 4.17Å; L327-F341 HydrophobicContact CD1-CD2 3.78Å; L327-F341 HydrophobicContact CD1-CE2 3.87Å; L327-F341 HydrophobicContact CD2-CD2 4.48Å; F341-D343 HydrophobicContact CE1-CB 3.83Å; F341-D343 HydrophobicContact CZ-CB 3.91Å; F341-L404 HydrophobicContact CD1-CD1 3.67Å; F341-L404 HydrophobicContact CD2-CD1 3.61Å; F341-L404 HydrophobicContact CE1-CD1 3.6Å; F341-L404 HydrophobicContact CE2-CD1 3.53Å; F341-L404 HydrophobicContact CG-CD1 3.68Å; F341-L404 HydrophobicContact CZ-CD1 3.53Å; F341-I413 PolarHBondContact N-O 3.01Å; F341-C414 HydrophobicContact CB-CB 4.44Å; F341-C414 HydrophobicContact CD1-CB 4.19Å; F341-C414 CarbonylContact O-C 3.52Å; F341-C414 VanDerWaalsContact O-CA 3.29Å; F341-C414 WeakPolarHBondContact O-CA 3.43Å; F341-Y415 PolarHBondContact O-N 2.99Å
342	I	98.8	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.1	177.3	-55.6	-172.6	0	0	0	109.3	F241 V242 T243 I344 M355 F372 Y415 L417 L447 F451	F241-I342 PolarHBondContact O-N 2.92Å; V242-I342 CarbonylContact C-O 3.56Å; V242-I342 VanDerWaalsContact CA-O 3.31Å; V242-I342 WeakPolarHBondContact CA-O 3.29Å; T243-I342 PolarHBondContact N-O 3Å; I342-I344 HydrophobicContact CG2-CG1 4.42Å; I342-M355 HydrophobicContact CD1-CE 4.37Å; I342-F372 HydrophobicContact CD1-CE1 4.14Å; I342-F372 HydrophobicContact CD1-CZ 4.41Å; I342-Y415 WeakPolarHBondContact CA-O 3.29Å; I342-Y415 HydrophobicContact CD1-CD2 4.42Å; I342-Y415 HydrophobicContact CG1-CD2 4.15Å; I342-L417 HydrophobicContact CG2-CB 3.87Å; I342-L447 HydrophobicContact CD1-CD1 4.09Å; I342-F451 HydrophobicContact CD1-CE1 4.47Å; I342-F451 HydrophobicContact CD1-CE2 4.37Å; I342-F451 HydrophobicContact CD1-CZ 3.64Å
343	D	98.9	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.1	173.6	-165.9	17.8	0	0	0	110.2	T243 F341 H345 Y415 T416 L417	T243-D343 CarbonylContact O-C 3.5Å; T243-D343 WeakPolarHBondContact O-CA 3.33Å; T243-D343 WeakPolarHBondContact OG1-CA 3.23Å; T243-D343 WeakPolarHBondContact OG1-CB 3.41Å; T243-D343 PolarHBondContact OG1-OD1 2.62Å; F341-D343 HydrophobicContact CE1-CB 3.83Å; F341-D343 HydrophobicContact CZ-CB 3.91Å; D343-H345 PolarHBondContact O-CD2 3.49Å; D343-H345 IonicContact OD1-CD2 3.6Å; D343-H345 IonicContact OD1-NE2 3.38Å; D343-H345 IonicContact OD2-CD2 3.66Å; D343-H345 IonicContact OD2-CE1 3.82Å; D343-H345 IonicContact OD2-NE2 3.77Å; D343-H345 PolarHBondContact OD2-NE2 2.86Å; D343-Y415 PolarHBondContact N-O 2.88Å; D343-T416 CarbonylContact O-C 3.58Å; D343-T416 VanDerWaalsContact O-CA 3.29Å; D343-T416 WeakPolarHBondContact O-CA 3.22Å; D343-L417 PolarHBondContact O-N 2.96Å
344	I	98.9	Very high	96.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.8	-174.4	-50.1	173.3	0	0	0	110.3	V242 T243 A244 R245 S253 V256 C257 I342 L417 L447	V242-I344 HydrophobicContact CG1-CD1 3.62Å; V242-I344 HydrophobicContact CG1-CG1 4.09Å; T243-I344 PolarHBondContact O-N 2.82Å; A244-I344 HydrophobicContact CB-CB 4.05Å; R245-I344 PolarHBondContact N-O 3.36Å; S253-I344 VanDerWaalsContact CB-O 3.3Å; S253-I344 WeakPolarHBondContact CB-O 3.31Å; V256-I344 HydrophobicContact CB-CG2 4.01Å; V256-I344 HydrophobicContact CG1-CD1 4.14Å; V256-I344 HydrophobicContact CG1-CG2 3.95Å; C257-I344 HydrophobicContact CB-CD1 4.19Å; I342-I344 HydrophobicContact CG2-CG1 4.42Å; I344-L417 CarbonylContact C-O 3.54Å; I344-L417 WeakPolarHBondContact CA-O 3.47Å; I344-L417 HydrophobicContact CG1-CB 4.49Å; I344-L417 HydrophobicContact CG1-CD2 4.4Å; I344-L447 HydrophobicContact CD1-CD2 4.48Å
345	H	98.7	Very high	96.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	175.6	-176.3	-74.5	-108.2	0	0	0	111	V246 H247 E250 N306 D343 T416 L417 E418 V419	V246-H345 WeakPolarHBondContact CG1-CE1 3.4Å; V246-H345 WeakPolarHBondContact CG1-NE2 3.06Å; H247-H345 AromaticContact CE1-CE1 3.21Å; H247-H345 PolarHBondContact CE1-CE1 3.45Å; H247-H345 AromaticContact CE1-ND1 3.09Å; H247-H345 PolarHBondContact CE1-ND1 2.88Å; H247-H345 AromaticContact ND1-CE1 3.76Å; H247-H345 AromaticContact ND1-ND1 3.32Å; H247-H345 PolarHBondContact ND1-ND1 2.82Å; H247-H345 AromaticContact NE2-CE1 3.48Å; H247-H345 PolarHBondContact NE2-CE1 3.43Å; H247-H345 AromaticContact NE2-ND1 3.82Å; E250-H345 WeakPolarHBondContact OE2-CA 3.43Å; E250-H345 WeakPolarHBondContact OE2-CB 3.43Å; E250-H345 IonicContact OE2-CG 3.89Å; E250-H345 IonicContact OE2-ND1 4Å; E250-H345 PolarHBondContact OE2-ND1 2.95Å; N306-H345 PolarHBondContact ND2-CE1 3.29Å; N306-H345 VanDerWaalsContact ND2-CE1 3.28Å; D343-H345 PolarHBondContact O-CD2 3.49Å; D343-H345 IonicContact OD1-CD2 3.6Å; D343-H345 IonicContact OD1-NE2 3.38Å; D343-H345 IonicContact OD2-CD2 3.66Å; D343-H345 IonicContact OD2-CE1 3.82Å; D343-H345 IonicContact OD2-NE2 3.77Å; D343-H345 PolarHBondContact OD2-NE2 2.86Å; H345-T416 HydrophobicContact CB-CG2 4.19Å; H345-L417 PolarHBondContact N-O 2.91Å; H345-E418 VanDerWaalsContact CB-CD 3.5Å; H345-E418 VanDerWaalsContact CB-OE2 3.26Å; H345-E418 WeakPolarHBondContact CB-OE2 3.31Å; H345-V419 PolarHBondContact O-N 3.36Å
346	A	98.2	Very high	97	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.6	168.8	0	0	0	0	0	112.6	E250 P252 E418 V419 F421	E250-A346 HydrophobicContact CB-CB 3.61Å; E250-A346 HydrophobicContact CG-CB 4Å; E250-A346 WeakPolarHBondContact CG-O 3.19Å; E250-A346 PolarHBondContact OE2-N 3.49Å; P252-A346 HydrophobicContact CB-CB 3.85Å; P252-A346 HydrophobicContact CG-CB 3.92Å; A346-E418 VanDerWaalsContact C-OE2 3.27Å; A346-E418 PolarHBondContact N-OE2 3.37Å; A346-V419 CarbonylContact C-O 3.6Å; A346-V419 WeakPolarHBondContact CA-O 3.2Å; A346-V419 HydrophobicContact CB-CG1 4.32Å; A346-V419 WeakPolarHBondContact CB-O 3.45Å; A346-F421 HydrophobicContact CB-CD2 4.17Å; A346-F421 HydrophobicContact CB-CE1 4.42Å; A346-F421 HydrophobicContact CB-CE2 3.91Å; A346-F421 HydrophobicContact CB-CZ 4.12Å
347	H	96.2	Very high	97.1	Very high	35 Å²	35	15.3 Å²	15.3	16%	0.162	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.9	-171.8	-153.3	-98.9	0	0	0	112.7	T349 L350 F354 E418 V419 F421	H347-T349 PolarHBondContact CE1-OG1 3.39Å; H347-T349 PolarHBondContact ND1-N 3.43Å; H347-T349 PolarHBondContact ND1-OG1 2.95Å; H347-L350 WeakPolarHBondContact ND1-CB 3.2Å; H347-L350 PolarHBondContact ND1-N 3.44Å; H347-L350 VanDerWaalsContact ND1-N 3.11Å; H347-F354 HydrophobicContact CB-CE1 4.23Å; H347-F354 HydrophobicContact CB-CZ 3.82Å; H347-F354 AromaticContact CD2-CZ 3.85Å; H347-F354 AromaticContact CG-CZ 3.6Å; H347-F354 AromaticContact ND1-CZ 3.92Å; H347-E418 HydrophobicContact CB-CB 4.3Å; H347-E418 IonicContact CD2-OE2 3.45Å; H347-E418 PolarHBondContact N-OE2 3.3Å; H347-V419 PolarHBondContact N-O 3.27Å; H347-F421 WeakPolarHBondContact O-CD2 3.19Å; H347-F421 PolarHBondContact O-N 2.93Å
348	S	93.3	Very high	97.3	Very high	7 Å²	7	14.1 Å²	14.1	5%	0.049	7%	0.073	C	C	.	.	S	Bend	trans	-92	-4.1	-173.7	74.8	0	0	0	0	115.2	K121 L125	K121-S348 PolarHBondContact NZ-OG 3.03Å; L125-S348 WeakPolarHBondContact CG-O 3.4Å; L125-S348 PolarHBondContact N-O 3.49Å
349	T	93.5	Very high	97.2	Very high	56 Å²	56	18.1 Å²	18.1	34%	0.344	9%	0.093	S	C	.	.	S	Bend	trans	-128.4	-12.9	-175	69.4	0	0	0	0	114.2	K123 H347	K123-T349 HydrophobicContact CB-CG2 3.96Å; H347-T349 PolarHBondContact CE1-OG1 3.39Å; H347-T349 PolarHBondContact ND1-N 3.43Å; H347-T349 PolarHBondContact ND1-OG1 2.95Å
350	L	95.2	Very high	97	Very high	59 Å²	59	18.9 Å²	18.9	31%	0.309	10%	0.095	S	C	.	.			trans	-119.8	142.6	-179	-66	175.4	0	0	0	108.3	H347 F354 S420	H347-L350 WeakPolarHBondContact ND1-CB 3.2Å; H347-L350 PolarHBondContact ND1-N 3.44Å; H347-L350 VanDerWaalsContact ND1-N 3.11Å; L350-F354 HydrophobicContact CB-CE1 3.68Å; L350-F354 HydrophobicContact CB-CZ 3.91Å; L350-F354 HydrophobicContact CD1-CE1 4.05Å; L350-F354 HydrophobicContact CD1-CE2 4.17Å; L350-F354 HydrophobicContact CD1-CZ 3.64Å; L350-F354 HydrophobicContact CG-CZ 4.37Å; L350-S420 VanDerWaalsContact O-CB 3.23Å; L350-S420 WeakPolarHBondContact O-CB 3.29Å; L350-S420 PolarHBondContact O-OG 3.18Å
351	M	94.9	Very high	96.6	Very high	44 Å²	44	28 Å²	28	22%	0.217	14%	0.137	C	C	.	.			trans	-78	170	169.5	-66.5	-179.7	-78.9	0	0	110.6	L125 Q387 S423 M432	L125-M351 HydrophobicContact CD2-CG 3.93Å; M351-Q387 PolarHBondContact O-NE2 2.97Å; M351-Q387 PolarHBondContact O-OE1 3.44Å; M351-S423 WeakPolarHBondContact CA-O 3.23Å; M351-S423 WeakPolarHBondContact CB-O 3.29Å; M351-S423 PolarHBondContact SD-OG 2.94Å; M351-M432 HydrophobicContact CE-CE 4.15Å; M351-M432 HydrophobicContact SD-CE 3.51Å; M351-M432 VanDerWaalsContact SD-CE 3.51Å; M351-M432 HydrophobicContact SD-CG 4.2Å; M351-M432 HydrophobicContact SD-SD 3.82Å
352	N	96.9	Very high	96.3	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.091	16%	0.157	C	C	.	.	S	Bend	trans	68.9	173.1	180	-39.6	-54.4	0	0	0	114.3	D382 Q387 S420 S423 Y424 T425	N352-D382 WeakPolarHBondContact CB-O 3.34Å; N352-Q387 PolarHBondContact ND2-OE1 2.91Å; N352-S420 WeakPolarHBondContact O-CB 3.5Å; N352-S420 PolarHBondContact O-N 2.9Å; N352-S423 PolarHBondContact N-O 2.77Å; N352-Y424 WeakPolarHBondContact OD1-CA 3.46Å; N352-Y424 WeakPolarHBondContact OD1-CB 3.11Å; N352-T425 PolarHBondContact OD1-N 3.26Å
353	G	98	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148	158.5	0	0	0	0	0	111.4	D382 F383 S384 E418	G353-D382 PolarHBondContact N-O 2.94Å; G353-F383 CarbonylContact O-C 3.58Å; G353-F383 WeakPolarHBondContact O-CA 3.25Å; G353-F383 WeakPolarHBondContact O-CD2 3.36Å; G353-S384 PolarHBondContact O-N 3.34Å; G353-E418 CarbonylContact C-O 3.54Å; G353-E418 WeakPolarHBondContact CA-O 3.49Å
354	F	98.3	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.8	178.2	52.3	-89.1	0	0	0	110	H347 L350 Y356 Q387 E418	H347-F354 HydrophobicContact CB-CE1 4.23Å; H347-F354 HydrophobicContact CB-CZ 3.82Å; H347-F354 AromaticContact CD2-CZ 3.85Å; H347-F354 AromaticContact CG-CZ 3.6Å; H347-F354 AromaticContact ND1-CZ 3.92Å; L350-F354 HydrophobicContact CB-CE1 3.68Å; L350-F354 HydrophobicContact CB-CZ 3.91Å; L350-F354 HydrophobicContact CD1-CE1 4.05Å; L350-F354 HydrophobicContact CD1-CE2 4.17Å; L350-F354 HydrophobicContact CD1-CZ 3.64Å; L350-F354 HydrophobicContact CG-CZ 4.37Å; F354-Y356 HydrophobicContact CE2-CE1 4.35Å; F354-Y356 AromaticContact CE2-CE2 3.93Å; F354-Y356 HydrophobicContact CE2-CE2 3.93Å; F354-Y356 AromaticContact CE2-CZ 3.69Å; F354-Q387 HydrophobicContact CB-CB 3.84Å; F354-Q387 HydrophobicContact CD1-CB 4.11Å; F354-Q387 HydrophobicContact CG-CB 3.92Å; F354-E418 HydrophobicContact CD1-CB 4.44Å; F354-E418 HydrophobicContact CD2-CB 3.89Å; F354-E418 HydrophobicContact CD2-CG 4.25Å; F354-E418 HydrophobicContact CE1-CB 4.1Å; F354-E418 HydrophobicContact CE2-CB 3.51Å; F354-E418 HydrophobicContact CE2-CG 3.66Å; F354-E418 HydrophobicContact CG-CB 4.34Å; F354-E418 HydrophobicContact CZ-CB 3.61Å; F354-E418 HydrophobicContact CZ-CG 4.07Å; F354-E418 PolarHBondContact N-O 3.2Å; F354-E418 PolarHBondContact O-N 3.45Å
355	M	98.4	Very high	95.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.1	-180	-77.3	180	174.8	0	0	113.7	I342 F372 P373 L376 F383 T388 N389 Y415 T416 L417 L447	I342-M355 HydrophobicContact CD1-CE 4.37Å; M355-F372 HydrophobicContact CE-CD1 4.02Å; M355-F372 HydrophobicContact CE-CE1 3.84Å; M355-F372 HydrophobicContact SD-CD1 4.24Å; M355-P373 HydrophobicContact SD-CB 4.46Å; M355-P373 HydrophobicContact SD-CG 3.96Å; M355-L376 HydrophobicContact CE-CD2 3.78Å; M355-F383 HydrophobicContact CB-CZ 4.21Å; M355-F383 HydrophobicContact CG-CE2 3.9Å; M355-F383 HydrophobicContact CG-CZ 3.94Å; M355-F383 HydrophobicContact SD-CZ 4.39Å; M355-T388 HydrophobicContact CB-CG2 4.02Å; M355-T388 PolarHBondContact N-OG1 3.3Å; M355-T388 VanDerWaalsContact N-OG1 3.16Å; M355-T388 CarbonylContact O-C 3.56Å; M355-T388 VanDerWaalsContact O-CA 3.23Å; M355-T388 WeakPolarHBondContact O-CA 3.23Å; M355-T388 WeakPolarHBondContact O-CG2 3.4Å; M355-N389 PolarHBondContact O-N 2.8Å; M355-Y415 HydrophobicContact CB-CD1 4.3Å; M355-Y415 HydrophobicContact SD-CD1 3.89Å; M355-Y415 HydrophobicContact SD-CE1 4.37Å; M355-Y415 HydrophobicContact SD-CG 3.98Å; M355-T416 CarbonylContact C-O 3.56Å; M355-T416 VanDerWaalsContact CA-O 3.23Å; M355-T416 WeakPolarHBondContact CA-O 3.28Å; M355-L417 HydrophobicContact CE-CB 4.18Å; M355-L417 HydrophobicContact CE-CD1 3.91Å; M355-L417 HydrophobicContact CE-CD2 4.47Å; M355-L417 HydrophobicContact CE-CG 4.41Å; M355-L417 HydrophobicContact CG-CB 4.4Å; M355-L417 HydrophobicContact CG-CD1 3.93Å; M355-L447 HydrophobicContact CE-CD1 4.11Å
356	Y	98.1	Very high	95.4	Very high	52 Å²	52	48.5 Å²	48.5	20%	0.204	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.9	157.4	-60.1	-60.8	0	0	0	110.3	F354 N389 R401 Y415 T416 E418	F354-Y356 HydrophobicContact CE2-CE1 4.35Å; F354-Y356 AromaticContact CE2-CE2 3.93Å; F354-Y356 HydrophobicContact CE2-CE2 3.93Å; F354-Y356 AromaticContact CE2-CZ 3.69Å; Y356-N389 VanDerWaalsContact CA-O 3.29Å; Y356-N389 WeakPolarHBondContact CA-O 3.31Å; Y356-N389 HydrophobicContact CD1-CB 4.01Å; Y356-N389 HydrophobicContact CE1-CB 4.07Å; Y356-R401 WeakPolarHBondContact O-CD 3.28Å; Y356-Y415 CarbonylContact O-C 3.59Å; Y356-Y415 VanDerWaalsContact O-CA 3.29Å; Y356-Y415 WeakPolarHBondContact O-CA 3.47Å; Y356-T416 HydrophobicContact CD2-CG2 4.39Å; Y356-T416 PolarHBondContact N-O 3.39Å; Y356-T416 PolarHBondContact O-N 3.37Å; Y356-E418 HydrophobicContact CD2-CG 4Å; Y356-E418 HydrophobicContact CE2-CG 3.75Å
357	G	97.7	Very high	95.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	179.5	174.6	0	0	0	0	0	110.8	N389 F390 N391 R401	G357-N389 PolarHBondContact N-O 2.99Å; G357-N389 VanDerWaalsContact N-O 3.15Å; G357-F390 VanDerWaalsContact CA-CD1 3.43Å; G357-F390 VanDerWaalsContact O-CA 3.29Å; G357-F390 WeakPolarHBondContact O-CA 3.34Å; G357-N391 PolarHBondContact O-N 2.59Å; G357-R401 VanDerWaalsContact C-NH1 3.34Å; G357-R401 PolarHBondContact O-NH1 3.23Å
358	N	96.8	Very high	95.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	149.4	-173.3	-62.3	-40.2	0	0	0	112	Y360 Q369 R401 R402	N358-Y360 HydrophobicContact CB-CD1 4.41Å; N358-Y360 HydrophobicContact CB-CE1 3.77Å; N358-Y360 HydrophobicContact CB-CE2 4.05Å; N358-Y360 PolarHBondContact ND2-OH 2.95Å; N358-Y360 VanDerWaalsContact ND2-OH 3.15Å; N358-Q369 PolarHBondContact O-NE2 3Å; N358-Q369 PolarHBondContact O-OE1 2.87Å; N358-R401 PolarHBondContact ND2-O 3.46Å; N358-R401 VanDerWaalsContact ND2-O 3.08Å; N358-R401 PolarHBondContact OD1-NH1 3.4Å; N358-R402 WeakPolarHBondContact OD1-CD 3.34Å
359	I	95.2	Very high	95.3	Very high	84 Å²	84	55.7 Å²	55.7	43%	0.431	27%	0.268	S	S	.	.			trans	-79.9	123.4	162.9	-66.4	171.7	0	0	0	107.6	F390 N391 K392	I359-F390 HydrophobicContact CG1-CB 4.35Å; I359-F390 WeakPolarHBondContact CG1-O 3.24Å; I359-N391 PolarHBondContact N-O 3.46Å; I359-K392 HydrophobicContact CB-CB 4.35Å; I359-K392 HydrophobicContact CD1-CG 4.26Å
360	Y	92.8	Very high	95.5	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.129	27%	0.269	C	S	.	.			trans	-110.1	149.7	173.2	-58.4	-65.2	0	0	0	109.8	N358 R365 Q369	N358-Y360 HydrophobicContact CB-CD1 4.41Å; N358-Y360 HydrophobicContact CB-CE1 3.77Å; N358-Y360 HydrophobicContact CB-CE2 4.05Å; N358-Y360 PolarHBondContact ND2-OH 2.95Å; N358-Y360 VanDerWaalsContact ND2-OH 3.15Å; Y360-R365 HydrophobicContact CD1-CG 4.42Å; Y360-R365 HydrophobicContact CD2-CB 4.33Å; Y360-R365 HydrophobicContact CD2-CG 3.67Å; Y360-R365 HydrophobicContact CE2-CG 3.96Å; Y360-R365 HydrophobicContact CG-CB 4.42Å; Y360-R365 HydrophobicContact CG-CG 3.92Å; Y360-Q369 HydrophobicContact CE2-CB 4.39Å
361	E	90.9	Very high	95.5	Very high	192 Å²	192	57.4 Å²	57.4	90%	0.897	27%	0.273	S	S	*	.	S	Bend	trans	-79	-33.2	173.9	-64	-179.1	174.4	0	0	111.6	E363	E361-E363 PolarHBondContact O-N 3.28Å
362	D	93.3	Very high	95.7	Very high	78 Å²	78	55.3 Å²	55.3	42%	0.417	26%	0.263	S	S	.	.			trans	-69.8	112.4	171.9	173.8	31.1	0	0	0	110.9	K364 R365 A366	D362-K364 VanDerWaalsContact C-N 3.26Å; D362-K364 PolarHBondContact O-N 3.16Å; D362-K364 PolarHBondContact OD1-N 3.3Å; D362-K364 VanDerWaalsContact OD1-N 3.07Å; D362-R365 HydrophobicContact CB-CB 4.03Å; D362-R365 PolarHBondContact O-N 3.49Å; D362-R365 VanDerWaalsContact OD2-CB 3.25Å; D362-R365 WeakPolarHBondContact OD2-CB 3.44Å; D362-R365 PolarHBondContact OD2-N 3.06Å; D362-A366 PolarHBondContact O-N 3.15Å
363	E	93.6	Very high	95.7	Very high	152 Å²	152	54.5 Å²	54.5	71%	0.71	26%	0.259	S	S	*	.	H	α-helix	trans	-57.4	-38.3	177.7	-66	-176.6	165.3	0	0	111.8	E361 R365 A366 E367	E361-E363 PolarHBondContact O-N 3.28Å; E363-R365 PolarHBondContact O-N 3.15Å; E363-A366 PolarHBondContact O-N 3.08Å; E363-E367 WeakPolarHBondContact O-CG 3.29Å; E363-E367 PolarHBondContact O-N 2.95Å
364	K	94	Very high	95.7	Very high	154 Å²	154	56.6 Å²	56.6	67%	0.67	27%	0.273	S	S	*	.	H	α-helix	trans	-66.9	-38.9	-179.8	-67.1	-179.1	-179.8	175.8	0	111.7	D362 R368	D362-K364 VanDerWaalsContact C-N 3.26Å; D362-K364 PolarHBondContact O-N 3.16Å; D362-K364 PolarHBondContact OD1-N 3.3Å; D362-K364 VanDerWaalsContact OD1-N 3.07Å; K364-R368 WeakPolarHBondContact O-CB 3.49Å; K364-R368 PolarHBondContact O-N 2.79Å; K364-R368 VanDerWaalsContact O-N 3.1Å
365	R	94.4	Very high	95.6	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.057	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-40.8	173.1	-169.4	176.8	-176.8	-178.1	1.2	111.3	Y360 D362 E363 R368 Q369 G405 D410 T412 I413	Y360-R365 HydrophobicContact CD1-CG 4.42Å; Y360-R365 HydrophobicContact CD2-CB 4.33Å; Y360-R365 HydrophobicContact CD2-CG 3.67Å; Y360-R365 HydrophobicContact CE2-CG 3.96Å; Y360-R365 HydrophobicContact CG-CB 4.42Å; Y360-R365 HydrophobicContact CG-CG 3.92Å; D362-R365 HydrophobicContact CB-CB 4.03Å; D362-R365 PolarHBondContact O-N 3.49Å; D362-R365 VanDerWaalsContact OD2-CB 3.25Å; D362-R365 WeakPolarHBondContact OD2-CB 3.44Å; D362-R365 PolarHBondContact OD2-N 3.06Å; E363-R365 PolarHBondContact O-N 3.15Å; R365-R368 PolarHBondContact O-N 2.96Å; R365-Q369 PolarHBondContact O-N 2.96Å; R365-G405 PolarHBondContact NH2-O 2.74Å; R365-D410 VanDerWaalsContact CD-O 3.28Å; R365-D410 WeakPolarHBondContact CD-O 3.4Å; R365-D410 IonicContact CZ-OD1 3.74Å; R365-D410 PolarHBondContact NE-O 3.07Å; R365-D410 IonicContact NH1-OD1 3.96Å; R365-D410 PolarHBondContact NH1-OD1 3.47Å; R365-T412 PolarHBondContact NH2-O 2.88Å; R365-T412 VanDerWaalsContact NH2-O 3.08Å; R365-I413 HydrophobicContact CG-CD1 3.96Å
366	A	94.3	Very high	95.6	Very high	35 Å²	35	57.4 Å²	57.4	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-45.9	176.4	0	0	0	0	0	112.5	D362 E363 R368 Q369 A370	D362-A366 PolarHBondContact O-N 3.15Å; E363-A366 PolarHBondContact O-N 3.08Å; A366-R368 PolarHBondContact O-N 2.89Å; A366-Q369 PolarHBondContact O-N 2.84Å; A366-A370 PolarHBondContact O-N 2.76Å
367	E	94.6	Very high	95.5	Very high	117 Å²	117	56.8 Å²	56.8	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-44.8	175	-75.6	-179.8	179.9	0	0	111.8	E363 Q369 A370 R371	E363-E367 WeakPolarHBondContact O-CG 3.29Å; E363-E367 PolarHBondContact O-N 2.95Å; E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 2.83Å; E367-A370 PolarHBondContact O-N 3.18Å; E367-A370 VanDerWaalsContact O-N 3.11Å; E367-R371 PolarHBondContact O-N 2.83Å
368	R	94.3	Very high	95.3	Very high	76 Å²	76	62.8 Å²	62.8	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-41.1	177.2	-164.6	-170.6	-32.8	-170.7	9.1	111.9	K364 R365 A366 A370 R371	K364-R368 WeakPolarHBondContact O-CB 3.49Å; K364-R368 PolarHBondContact O-N 2.79Å; K364-R368 VanDerWaalsContact O-N 3.1Å; R365-R368 PolarHBondContact O-N 2.96Å; A366-R368 PolarHBondContact O-N 2.89Å; R368-A370 VanDerWaalsContact C-N 3.31Å; R368-A370 PolarHBondContact O-N 3.14Å; R368-R371 PolarHBondContact O-N 3.22Å
369	Q	96.2	Very high	94.9	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-35	174.3	-177.2	-177.7	-106.1	0	0	112.1	N358 Y360 R365 A366 E367 R371 P373 F390 I413 Y415	N358-Q369 PolarHBondContact O-NE2 3Å; N358-Q369 PolarHBondContact O-OE1 2.87Å; Y360-Q369 HydrophobicContact CE2-CB 4.39Å; R365-Q369 PolarHBondContact O-N 2.96Å; A366-Q369 PolarHBondContact O-N 2.84Å; E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 2.83Å; Q369-R371 VanDerWaalsContact C-N 3.27Å; Q369-R371 PolarHBondContact O-N 3.19Å; Q369-P373 WeakPolarHBondContact O-CD 3.29Å; Q369-F390 HydrophobicContact CG-CE1 4.05Å; Q369-F390 HydrophobicContact CG-CZ 4.08Å; Q369-I413 HydrophobicContact CB-CD1 4.44Å; Q369-I413 HydrophobicContact CB-CG2 3.88Å; Q369-I413 HydrophobicContact CG-CG2 3.65Å; Q369-Y415 VanDerWaalsContact CA-OH 3.31Å; Q369-Y415 WeakPolarHBondContact CA-OH 3.2Å; Q369-Y415 HydrophobicContact CG-CE1 3.57Å; Q369-Y415 WeakPolarHBondContact CG-OH 3.49Å; Q369-Y415 PolarHBondContact O-OH 3.3Å
370	A	96.7	Very high	94.9	Very high	44 Å²	44	61.9 Å²	61.9	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-69.3	-24.5	179.6	0	0	0	0	0	113.5	A366 E367 R368 F372 S374 F390	A366-A370 PolarHBondContact O-N 2.76Å; E367-A370 PolarHBondContact O-N 3.18Å; E367-A370 VanDerWaalsContact O-N 3.11Å; R368-A370 VanDerWaalsContact C-N 3.31Å; R368-A370 PolarHBondContact O-N 3.14Å; A370-F372 PolarHBondContact O-N 3.15Å; A370-S374 WeakPolarHBondContact O-CB 3.46Å; A370-S374 PolarHBondContact O-N 3.11Å; A370-F390 HydrophobicContact CB-CE2 4.38Å
371	R	96.9	Very high	94.9	Very high	108 Å²	108	63.8 Å²	63.8	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-45.3	-176.2	-66.5	177	-170.9	179.3	2.8	113.1	E367 R368 Q369 S374 L375 Y454 E458	E367-R371 PolarHBondContact O-N 2.83Å; R368-R371 PolarHBondContact O-N 3.22Å; Q369-R371 VanDerWaalsContact C-N 3.27Å; Q369-R371 PolarHBondContact O-N 3.19Å; R371-S374 PolarHBondContact O-N 2.81Å; R371-L375 WeakPolarHBondContact O-CG 3.41Å; R371-L375 PolarHBondContact O-N 3.45Å; R371-Y454 HydrophobicContact CB-CD2 4.44Å; R371-Y454 HydrophobicContact CB-CE2 4.12Å; R371-E458 IonicContact CZ-OE1 3.25Å; R371-E458 IonicContact NH1-OE1 3.62Å; R371-E458 PolarHBondContact NH1-OE1 3.13Å
372	F	97.8	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-49.2	-172.4	-167.1	-85.6	0	0	0	113	F340 I342 M355 A370 S374 L375 L376 Y415 L447 T450 F451 Y454	F340-F372 HydrophobicContact CE1-CB 4.1Å; F340-F372 AromaticContact CE1-CD2 3.8Å; F340-F372 HydrophobicContact CE1-CD2 3.8Å; F340-F372 HydrophobicContact CE1-CE2 4.45Å; F340-F372 AromaticContact CE1-CG 3.98Å; F340-F372 HydrophobicContact CE1-CG 3.98Å; F340-F372 AromaticContact CZ-CD2 3.86Å; F340-F372 HydrophobicContact CZ-CD2 3.86Å; F340-F372 HydrophobicContact CZ-CE2 4.5Å; F340-F372 HydrophobicContact CZ-CG 4.43Å; I342-F372 HydrophobicContact CD1-CE1 4.14Å; I342-F372 HydrophobicContact CD1-CZ 4.41Å; M355-F372 HydrophobicContact CE-CD1 4.02Å; M355-F372 HydrophobicContact CE-CE1 3.84Å; M355-F372 HydrophobicContact SD-CD1 4.24Å; A370-F372 PolarHBondContact O-N 3.15Å; F372-S374 VanDerWaalsContact C-N 3.29Å; F372-S374 PolarHBondContact O-N 3.08Å; F372-L375 PolarHBondContact O-N 2.9Å; F372-L376 PolarHBondContact O-N 3.13Å; F372-Y415 HydrophobicContact CB-CE2 4.43Å; F372-L447 HydrophobicContact CE1-CD1 3.61Å; F372-L447 HydrophobicContact CZ-CD1 3.77Å; F372-T450 HydrophobicContact CD1-CG2 4.15Å; F372-T450 HydrophobicContact CD2-CG2 3.95Å; F372-T450 HydrophobicContact CE1-CG2 3.82Å; F372-T450 HydrophobicContact CE2-CG2 3.61Å; F372-T450 HydrophobicContact CG-CG2 4.21Å; F372-T450 HydrophobicContact CZ-CG2 3.56Å; F372-F451 HydrophobicContact CD2-CD1 4.36Å; F372-F451 HydrophobicContact CD2-CE1 4.32Å; F372-F451 AromaticContact CE2-CD1 3.38Å; F372-F451 HydrophobicContact CE2-CD1 3.38Å; F372-F451 HydrophobicContact CE2-CD2 4.38Å; F372-F451 AromaticContact CE2-CE1 3.44Å; F372-F451 HydrophobicContact CE2-CE1 3.44Å; F372-F451 VanDerWaalsContact CE2-CE1 3.44Å; F372-F451 HydrophobicContact CE2-CE2 4.45Å; F372-F451 AromaticContact CE2-CG 3.87Å; F372-F451 HydrophobicContact CE2-CG 3.87Å; F372-F451 HydrophobicContact CE2-CZ 4.01Å; F372-F451 AromaticContact CZ-CD1 3.9Å; F372-F451 HydrophobicContact CZ-CD1 3.9Å; F372-F451 HydrophobicContact CZ-CD2 4.16Å; F372-F451 AromaticContact CZ-CE1 3.7Å; F372-F451 HydrophobicContact CZ-CE1 3.7Å; F372-F451 AromaticContact CZ-CE2 3.99Å; F372-F451 HydrophobicContact CZ-CE2 3.99Å; F372-F451 HydrophobicContact CZ-CG 4.12Å; F372-F451 AromaticContact CZ-CZ 3.75Å; F372-F451 HydrophobicContact CZ-CZ 3.75Å; F372-Y454 HydrophobicContact CB-CD2 4.31Å; F372-Y454 AromaticContact CD2-CD2 3.96Å; F372-Y454 HydrophobicContact CD2-CD2 3.96Å; F372-Y454 HydrophobicContact CD2-CG 4.11Å
373	P	97.9	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-34.9	173.4	-22.9	35	0	0	0	113.1	M355 Q369 L376 S377 F383 L385 T388 F390 Y415	M355-P373 HydrophobicContact SD-CB 4.46Å; M355-P373 HydrophobicContact SD-CG 3.96Å; Q369-P373 WeakPolarHBondContact O-CD 3.29Å; P373-L376 PolarHBondContact O-N 2.97Å; P373-S377 PolarHBondContact O-N 2.81Å; P373-F383 HydrophobicContact CB-CE1 4.15Å; P373-F383 HydrophobicContact CB-CZ 4.13Å; P373-F383 WeakPolarHBondContact O-CE1 3.36Å; P373-L385 HydrophobicContact CB-CD1 3.98Å; P373-T388 HydrophobicContact CB-CG2 3.92Å; P373-T388 HydrophobicContact CG-CG2 4.17Å; P373-F390 HydrophobicContact CG-CE1 4.49Å; P373-F390 HydrophobicContact CG-CZ 4.24Å; P373-Y415 HydrophobicContact CG-CE1 3.87Å
374	S	97.5	Very high	95.4	Very high	44 Å²	44	44.8 Å²	44.8	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-46	175.2	179.2	0	0	0	0	111.6	A370 R371 F372 S377 Q378	A370-S374 WeakPolarHBondContact O-CB 3.46Å; A370-S374 PolarHBondContact O-N 3.11Å; R371-S374 PolarHBondContact O-N 2.81Å; F372-S374 VanDerWaalsContact C-N 3.29Å; F372-S374 PolarHBondContact O-N 3.08Å; S374-S377 PolarHBondContact O-N 3.45Å; S374-S377 PolarHBondContact O-OG 3.06Å; S374-Q378 PolarHBondContact O-N 3.39Å; S374-Q378 PolarHBondContact O-NE2 2.88Å
375	L	97.1	Very high	95.4	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-46.4	173.9	-72	168.4	0	0	0	111.2	R371 F372 S377 Q378 F379 T450 E453 Y454	R371-L375 WeakPolarHBondContact O-CG 3.41Å; R371-L375 PolarHBondContact O-N 3.45Å; F372-L375 PolarHBondContact O-N 2.9Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 2.97Å; L375-Q378 WeakPolarHBondContact O-CB 3.29Å; L375-Q378 PolarHBondContact O-N 2.79Å; L375-F379 HydrophobicContact CB-CE2 4.45Å; L375-F379 HydrophobicContact CD2-CE2 4.11Å; L375-F379 WeakPolarHBondContact O-CD2 3.31Å; L375-F379 PolarHBondContact O-N 2.84Å; L375-T450 HydrophobicContact CB-CG2 3.76Å; L375-E453 HydrophobicContact CD2-CB 4.41Å; L375-Y454 HydrophobicContact CD1-CD2 4.13Å
376	L	97.3	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-40.2	-179.7	-175.6	54.5	0	0	0	111.8	M355 F372 P373 Q378 F379 A380 F383 L417 N446 L447 T450	M355-L376 HydrophobicContact CE-CD2 3.78Å; F372-L376 PolarHBondContact O-N 3.13Å; P373-L376 PolarHBondContact O-N 2.97Å; L376-Q378 PolarHBondContact O-N 3.3Å; L376-F379 PolarHBondContact O-N 3.29Å; L376-F379 VanDerWaalsContact O-N 3.13Å; L376-A380 HydrophobicContact CD1-CB 3.72Å; L376-A380 HydrophobicContact CG-CB 4.27Å; L376-A380 WeakPolarHBondContact O-CB 3.45Å; L376-A380 PolarHBondContact O-N 3.21Å; L376-F383 HydrophobicContact CB-CD1 4.25Å; L376-F383 HydrophobicContact CB-CE1 4.33Å; L376-F383 HydrophobicContact CB-CG 4.41Å; L376-F383 HydrophobicContact CD2-CD1 4.4Å; L376-F383 HydrophobicContact CD2-CD2 3.42Å; L376-F383 VanDerWaalsContact CD2-CD2 3.42Å; L376-F383 HydrophobicContact CD2-CE1 4.41Å; L376-F383 HydrophobicContact CD2-CE2 3.43Å; L376-F383 VanDerWaalsContact CD2-CE2 3.43Å; L376-F383 HydrophobicContact CD2-CG 3.93Å; L376-F383 HydrophobicContact CD2-CZ 3.95Å; L376-F383 HydrophobicContact CG-CB 4.16Å; L376-F383 HydrophobicContact CG-CD1 4.06Å; L376-F383 HydrophobicContact CG-CD2 3.77Å; L376-F383 HydrophobicContact CG-CE1 4.4Å; L376-F383 HydrophobicContact CG-CE2 4.13Å; L376-F383 HydrophobicContact CG-CG 3.72Å; L376-F383 HydrophobicContact CG-CZ 4.43Å; L376-L417 HydrophobicContact CD2-CD1 4.48Å; L376-N446 HydrophobicContact CD1-CB 4.38Å; L376-L447 HydrophobicContact CD2-CD1 4.49Å; L376-T450 HydrophobicContact CB-CG2 3.94Å; L376-T450 WeakPolarHBondContact CD1-OG1 3.47Å
377	S	95.4	Very high	95.5	Very high	38 Å²	38	46.6 Å²	46.6	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-21.2	176.5	73.4	0	0	0	0	114.8	P373 S374 L375	P373-S377 PolarHBondContact O-N 2.81Å; S374-S377 PolarHBondContact O-N 3.45Å; S374-S377 PolarHBondContact O-OG 3.06Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 2.97Å
378	Q	93.8	Very high	95.7	Very high	126 Å²	126	42 Å²	42	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-83.5	-28	175.7	-66.4	167.7	52.5	0	0	112.4	S374 L375 L376	S374-Q378 PolarHBondContact O-N 3.39Å; S374-Q378 PolarHBondContact O-NE2 2.88Å; L375-Q378 WeakPolarHBondContact O-CB 3.29Å; L375-Q378 PolarHBondContact O-N 2.79Å; L376-Q378 PolarHBondContact O-N 3.3Å
379	F	89.9	Confident	95.7	Very high	67 Å²	67	42.3 Å²	42.3	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-109.9	-11.6	-173.1	-58.7	-67.2	0	0	0	114.2	L375 L376 N446 E453	L375-F379 HydrophobicContact CB-CE2 4.45Å; L375-F379 HydrophobicContact CD2-CE2 4.11Å; L375-F379 WeakPolarHBondContact O-CD2 3.31Å; L375-F379 PolarHBondContact O-N 2.84Å; L376-F379 PolarHBondContact O-N 3.29Å; L376-F379 VanDerWaalsContact O-N 3.13Å; F379-N446 PolarHBondContact O-ND2 2.88Å; F379-E453 HydrophobicContact CD2-CB 4.5Å; F379-E453 HydrophobicContact CD2-CG 4.2Å; F379-E453 HydrophobicContact CE1-CG 4.22Å; F379-E453 HydrophobicContact CE2-CB 3.78Å; F379-E453 HydrophobicContact CE2-CG 3.55Å; F379-E453 HydrophobicContact CZ-CB 4.19Å; F379-E453 HydrophobicContact CZ-CG 3.56Å
380	A	93.9	Very high	95.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	24%	0.24	C	C	.	.			trans	-119.7	105.1	176	0	0	0	0	0	110.1	L376 D382 F383 L443 N446	L376-A380 HydrophobicContact CD1-CB 3.72Å; L376-A380 HydrophobicContact CG-CB 4.27Å; L376-A380 WeakPolarHBondContact O-CB 3.45Å; L376-A380 PolarHBondContact O-N 3.21Å; A380-D382 PolarHBondContact O-N 2.97Å; A380-D382 VanDerWaalsContact O-N 3.07Å; A380-F383 HydrophobicContact CB-CB 3.73Å; A380-F383 PolarHBondContact O-N 3.44Å; A380-L443 HydrophobicContact CB-CD1 4.13Å; A380-N446 HydrophobicContact CB-CB 3.85Å
381	E	92.8	Very high	95.7	Very high	74 Å²	74	44.9 Å²	44.9	35%	0.346	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.9	177.9	63.1	165.4	-169.7	0	0	113.6	Y424 N426 R442	E381-Y424 HydrophobicContact CG-CE2 4.12Å; E381-Y424 PolarHBondContact OE1-OH 3.14Å; E381-N426 PolarHBondContact OE2-ND2 3.39Å; E381-R442 IonicContact OE1-CZ 3.78Å; E381-R442 IonicContact OE1-NH1 2.73Å; E381-R442 PolarHBondContact OE1-NH1 3.13Å; E381-R442 IonicContact OE1-NH2 2.97Å; E381-R442 PolarHBondContact OE1-NH2 3.44Å
382	D	95.1	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	5.1	-177	68.4	-47.5	0	0	0	112.8	N352 G353 A380 Y424 Y435	N352-D382 WeakPolarHBondContact CB-O 3.34Å; G353-D382 PolarHBondContact N-O 2.94Å; A380-D382 PolarHBondContact O-N 2.97Å; A380-D382 VanDerWaalsContact O-N 3.07Å; D382-Y424 HydrophobicContact CB-CD1 3.69Å; D382-Y424 HydrophobicContact CB-CD2 3.45Å; D382-Y424 VanDerWaalsContact CB-CD2 3.45Å; D382-Y424 HydrophobicContact CB-CE1 4.08Å; D382-Y424 HydrophobicContact CB-CE2 3.85Å; D382-Y424 HydrophobicContact CB-CG 3.36Å; D382-Y435 HydrophobicContact CB-CE1 4.33Å; D382-Y435 WeakPolarHBondContact CB-OH 3.37Å; D382-Y435 PolarHBondContact O-OH 3.46Å; D382-Y435 VanDerWaalsContact OD2-CE1 3.23Å; D382-Y435 WeakPolarHBondContact OD2-CE1 3.13Å; D382-Y435 PolarHBondContact OD2-OH 3.04Å
383	F	96.9	Very high	95.1	Very high	9 Å²	9	49 Å²	49	4%	0.039	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-100.7	129.9	177.1	-172.4	-92	0	0	0	112.5	G353 M355 P373 L376 A380 T388 L417	G353-F383 CarbonylContact O-C 3.58Å; G353-F383 WeakPolarHBondContact O-CA 3.25Å; G353-F383 WeakPolarHBondContact O-CD2 3.36Å; M355-F383 HydrophobicContact CB-CZ 4.21Å; M355-F383 HydrophobicContact CG-CE2 3.9Å; M355-F383 HydrophobicContact CG-CZ 3.94Å; M355-F383 HydrophobicContact SD-CZ 4.39Å; P373-F383 HydrophobicContact CB-CE1 4.15Å; P373-F383 HydrophobicContact CB-CZ 4.13Å; P373-F383 WeakPolarHBondContact O-CE1 3.36Å; L376-F383 HydrophobicContact CB-CD1 4.25Å; L376-F383 HydrophobicContact CB-CE1 4.33Å; L376-F383 HydrophobicContact CB-CG 4.41Å; L376-F383 HydrophobicContact CD2-CD1 4.4Å; L376-F383 HydrophobicContact CD2-CD2 3.42Å; L376-F383 VanDerWaalsContact CD2-CD2 3.42Å; L376-F383 HydrophobicContact CD2-CE1 4.41Å; L376-F383 HydrophobicContact CD2-CE2 3.43Å; L376-F383 VanDerWaalsContact CD2-CE2 3.43Å; L376-F383 HydrophobicContact CD2-CG 3.93Å; L376-F383 HydrophobicContact CD2-CZ 3.95Å; L376-F383 HydrophobicContact CG-CB 4.16Å; L376-F383 HydrophobicContact CG-CD1 4.06Å; L376-F383 HydrophobicContact CG-CD2 3.77Å; L376-F383 HydrophobicContact CG-CE1 4.4Å; L376-F383 HydrophobicContact CG-CE2 4.13Å; L376-F383 HydrophobicContact CG-CG 3.72Å; L376-F383 HydrophobicContact CG-CZ 4.43Å; A380-F383 HydrophobicContact CB-CB 3.73Å; A380-F383 PolarHBondContact O-N 3.44Å; F383-T388 WeakPolarHBondContact CZ-OG1 3.4Å; F383-L417 HydrophobicContact CD2-CD1 4.36Å; F383-L417 HydrophobicContact CE2-CD1 3.96Å
384	S	95.8	Very high	94.8	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.091	29%	0.29	C	S	.	.			trans	-104.5	104.6	-179	-173.5	0	0	0	0	111.6	G353 Q387 T388	G353-S384 PolarHBondContact O-N 3.34Å; S384-Q387 PolarHBondContact O-N 2.98Å; S384-Q387 WeakPolarHBondContact OG-CG 3.35Å; S384-Q387 PolarHBondContact OG-N 3.33Å; S384-Q387 PolarHBondContact OG-OE1 3.21Å; S384-T388 PolarHBondContact O-N 3.42Å; S384-T388 PolarHBondContact O-OG1 2.87Å; S384-T388 VanDerWaalsContact O-OG1 3.13Å
385	L	95.6	Very high	94.4	Very high	70 Å²	70	56.6 Å²	56.6	37%	0.366	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-41.1	168.8	-170.4	63.4	0	0	0	112.4	P373 Q387 T388	P373-L385 HydrophobicContact CB-CD1 3.98Å; L385-Q387 VanDerWaalsContact C-N 3.25Å; L385-Q387 PolarHBondContact O-N 2.89Å; L385-T388 VanDerWaalsContact O-CB 3.28Å; L385-T388 WeakPolarHBondContact O-CB 3.32Å; L385-T388 PolarHBondContact O-N 2.85Å
386	P	95.2	Very high	94.2	Very high	118 Å²	118	57.7 Å²	57.7	77%	0.766	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.1	177.5	-26.3	36.2	0	0	0	115.1
387	Q	95.7	Very high	94	Very high	53 Å²	53	59 Å²	59	25%	0.248	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.4	175.3	-69.2	174.3	-40.8	0	0	113	M351 N352 F354 S384 L385 N389	M351-Q387 PolarHBondContact O-NE2 2.97Å; M351-Q387 PolarHBondContact O-OE1 3.44Å; N352-Q387 PolarHBondContact ND2-OE1 2.91Å; F354-Q387 HydrophobicContact CB-CB 3.84Å; F354-Q387 HydrophobicContact CD1-CB 4.11Å; F354-Q387 HydrophobicContact CG-CB 3.92Å; S384-Q387 PolarHBondContact O-N 2.98Å; S384-Q387 WeakPolarHBondContact OG-CG 3.35Å; S384-Q387 PolarHBondContact OG-N 3.33Å; S384-Q387 PolarHBondContact OG-OE1 3.21Å; L385-Q387 VanDerWaalsContact C-N 3.25Å; L385-Q387 PolarHBondContact O-N 2.89Å; Q387-N389 PolarHBondContact O-N 2.81Å
388	T	97.2	Very high	93.9	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.135	30%	0.303	C	S	.	.			trans	-67.1	129.5	174.8	-67.5	0	0	0	0	109.4	M355 P373 F383 S384 L385 F390	M355-T388 HydrophobicContact CB-CG2 4.02Å; M355-T388 PolarHBondContact N-OG1 3.3Å; M355-T388 VanDerWaalsContact N-OG1 3.16Å; M355-T388 CarbonylContact O-C 3.56Å; M355-T388 VanDerWaalsContact O-CA 3.23Å; M355-T388 WeakPolarHBondContact O-CA 3.23Å; M355-T388 WeakPolarHBondContact O-CG2 3.4Å; P373-T388 HydrophobicContact CB-CG2 3.92Å; P373-T388 HydrophobicContact CG-CG2 4.17Å; F383-T388 WeakPolarHBondContact CZ-OG1 3.4Å; S384-T388 PolarHBondContact O-N 3.42Å; S384-T388 PolarHBondContact O-OG1 2.87Å; S384-T388 VanDerWaalsContact O-OG1 3.13Å; L385-T388 VanDerWaalsContact O-CB 3.28Å; L385-T388 WeakPolarHBondContact O-CB 3.32Å; L385-T388 PolarHBondContact O-N 2.85Å; T388-F390 HydrophobicContact CG2-CE1 3.96Å; T388-F390 HydrophobicContact CG2-CZ 4.18Å
389	N	96	Very high	94.1	Very high	82 Å²	82	51.9 Å²	51.9	44%	0.439	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.4	-170.7	-177	-37.1	0	0	0	111.5	M355 Y356 G357 Q387	M355-N389 PolarHBondContact O-N 2.8Å; Y356-N389 VanDerWaalsContact CA-O 3.29Å; Y356-N389 WeakPolarHBondContact CA-O 3.31Å; Y356-N389 HydrophobicContact CD1-CB 4.01Å; Y356-N389 HydrophobicContact CE1-CB 4.07Å; G357-N389 PolarHBondContact N-O 2.99Å; G357-N389 VanDerWaalsContact N-O 3.15Å; Q387-N389 PolarHBondContact O-N 2.81Å
390	F	96.7	Very high	94.5	Very high	66 Å²	66	48.7 Å²	48.7	29%	0.289	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126	173.6	-53.2	-38.8	0	0	0	110.4	G357 I359 Q369 A370 P373 T388 Y415	G357-F390 VanDerWaalsContact CA-CD1 3.43Å; G357-F390 VanDerWaalsContact O-CA 3.29Å; G357-F390 WeakPolarHBondContact O-CA 3.34Å; I359-F390 HydrophobicContact CG1-CB 4.35Å; I359-F390 WeakPolarHBondContact CG1-O 3.24Å; Q369-F390 HydrophobicContact CG-CE1 4.05Å; Q369-F390 HydrophobicContact CG-CZ 4.08Å; A370-F390 HydrophobicContact CB-CE2 4.38Å; P373-F390 HydrophobicContact CG-CE1 4.49Å; P373-F390 HydrophobicContact CG-CZ 4.24Å; T388-F390 HydrophobicContact CG2-CE1 3.96Å; T388-F390 HydrophobicContact CG2-CZ 4.18Å; F390-Y415 HydrophobicContact CE1-CE1 4.34Å
391	N	94.9	Very high	94.7	Very high	33 Å²	33	49 Å²	49	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.5	-176.1	64.5	63	0	0	0	113.5	G357 I359 R401 R402	G357-N391 PolarHBondContact O-N 2.59Å; I359-N391 PolarHBondContact N-O 3.46Å; N391-R401 PolarHBondContact O-NH1 3.15Å; N391-R401 PolarHBondContact OD1-NH1 2.64Å; N391-R401 PolarHBondContact OD1-NH2 3Å; N391-R402 PolarHBondContact O-NH1 3.37Å
392	K	92.9	Very high	94.9	Very high	134 Å²	134	48.3 Å²	48.3	58%	0.583	26%	0.258	S	S	*	.			trans	-123.1	33.8	171.5	64.1	-179.9	177.8	179.8	0	113.9	I359 T394 R402	I359-K392 HydrophobicContact CB-CB 4.35Å; I359-K392 HydrophobicContact CD1-CG 4.26Å; K392-T394 PolarHBondContact O-N 2.86Å; K392-R402 VanDerWaalsContact CA-CZ 3.42Å; K392-R402 VanDerWaalsContact CA-NH1 3.34Å
393	D	90.6	Very high	95	Very high	60 Å²	60	48.8 Å²	48.8	32%	0.321	26%	0.261	S	S	.	.			trans	-57.4	126.7	-177.6	-175.7	-4.5	0	0	0	111.6	L395 K396 A397	D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.4Å; D393-L395 WeakPolarHBondContact OD1-CB 3.36Å; D393-L395 PolarHBondContact OD1-N 3.29Å; D393-K396 HydrophobicContact CB-CB 4.24Å; D393-K396 HydrophobicContact CB-CG 3.93Å; D393-K396 PolarHBondContact O-N 2.79Å; D393-K396 VanDerWaalsContact O-N 3.12Å; D393-A397 PolarHBondContact O-N 3.27Å
394	T	90.5	Very high	95	Very high	120 Å²	120	48.4 Å²	48.4	74%	0.736	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-63.7	-34	178.5	47.9	0	0	0	0	111.9	K392 K396 A397	K392-T394 PolarHBondContact O-N 2.86Å; T394-K396 PolarHBondContact O-N 2.8Å; T394-A397 VanDerWaalsContact O-CB 3.25Å; T394-A397 WeakPolarHBondContact O-CB 3.33Å; T394-A397 PolarHBondContact O-N 2.97Å; T394-A397 VanDerWaalsContact O-N 3.12Å
395	L	90.2	Very high	95	Very high	84 Å²	84	48 Å²	48	44%	0.44	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67	-18.4	176.8	-62.5	170.3	0	0	0	112.4	Q22 N23 D393	Q22-L395 WeakPolarHBondContact O-CD2 3.4Å; N23-L395 VanDerWaalsContact O-CD1 3.25Å; N23-L395 WeakPolarHBondContact O-CD1 3.12Å; D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.4Å; D393-L395 WeakPolarHBondContact OD1-CB 3.36Å; D393-L395 PolarHBondContact OD1-N 3.29Å
396	K	92.1	Very high	94.9	Very high	40 Å²	40	47.7 Å²	47.7	17%	0.174	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-101.1	0.2	178.4	-55.6	-60.2	-177.1	164.1	0	112.9	E24 D393 T394 G398 T399 R402	E24-K396 WeakPolarHBondContact OE1-CE 3.44Å; E24-K396 IonicContact OE1-NZ 3.45Å; E24-K396 PolarHBondContact OE1-NZ 2.83Å; E24-K396 IonicContact OE2-NZ 3.81Å; E24-K396 PolarHBondContact OE2-NZ 3.08Å; D393-K396 HydrophobicContact CB-CB 4.24Å; D393-K396 HydrophobicContact CB-CG 3.93Å; D393-K396 PolarHBondContact O-N 2.79Å; D393-K396 VanDerWaalsContact O-N 3.12Å; T394-K396 PolarHBondContact O-N 2.8Å; K396-G398 PolarHBondContact O-N 3.44Å; K396-G398 VanDerWaalsContact O-N 3.15Å; K396-T399 HydrophobicContact CB-CG2 4.16Å; K396-T399 HydrophobicContact CD-CG2 4.25Å; K396-T399 WeakPolarHBondContact O-CB 3.47Å; K396-T399 VanDerWaalsContact O-CG2 3.3Å; K396-T399 WeakPolarHBondContact O-CG2 3.47Å; K396-T399 PolarHBondContact O-N 3.4Å; K396-T399 PolarHBondContact O-OG1 2.8Å; K396-R402 HydrophobicContact CB-CG 4.16Å; K396-R402 VanDerWaalsContact O-CB 3.24Å; K396-R402 WeakPolarHBondContact O-CB 3.31Å; K396-R402 WeakPolarHBondContact O-CG 3.43Å
397	A	92.4	Very high	94.9	Very high	28 Å²	28	45.8 Å²	45.8	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32	-176	0	0	0	0	0	113.4	Q310 D393 T394 T399 T403	Q310-A397 VanDerWaalsContact NE2-C 3.28Å; Q310-A397 PolarHBondContact NE2-O 3.36Å; Q310-A397 VanDerWaalsContact NE2-O 3.16Å; D393-A397 PolarHBondContact O-N 3.27Å; T394-A397 VanDerWaalsContact O-CB 3.25Å; T394-A397 WeakPolarHBondContact O-CB 3.33Å; T394-A397 PolarHBondContact O-N 2.97Å; T394-A397 VanDerWaalsContact O-N 3.12Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.25Å; A397-T403 PolarHBondContact O-OG1 3.22Å; A397-T403 VanDerWaalsContact O-OG1 3.06Å
398	G	94.6	Very high	95	Very high	9 Å²	9	43.7 Å²	43.7	9%	0.093	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.1	176.9	0	0	0	0	0	116	R307 W309 K396	R307-G398 CarbonylContact C-O 3.56Å; R307-G398 WeakPolarHBondContact CA-O 3.09Å; W309-G398 WeakPolarHBondContact CB-O 3.41Å; W309-G398 PolarHBondContact N-O 2.68Å; K396-G398 PolarHBondContact O-N 3.44Å; K396-G398 VanDerWaalsContact O-N 3.15Å
399	T	98.1	Very high	94.8	Very high	5 Å²	5	46 Å²	46	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-73	156.7	178.2	63	0	0	0	0	112	N306 K396 A397 R401 R402 T403	N306-T399 VanDerWaalsContact O-CA 3.25Å; N306-T399 WeakPolarHBondContact O-CA 3.43Å; N306-T399 WeakPolarHBondContact O-CG2 3.45Å; N306-T399 WeakPolarHBondContact OD1-CA 3.29Å; K396-T399 HydrophobicContact CB-CG2 4.16Å; K396-T399 HydrophobicContact CD-CG2 4.25Å; K396-T399 WeakPolarHBondContact O-CB 3.47Å; K396-T399 VanDerWaalsContact O-CG2 3.3Å; K396-T399 WeakPolarHBondContact O-CG2 3.47Å; K396-T399 PolarHBondContact O-N 3.4Å; K396-T399 PolarHBondContact O-OG1 2.8Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.25Å; T399-R401 PolarHBondContact O-N 3Å; T399-R402 PolarHBondContact O-N 3.46Å; T399-R402 WeakPolarHBondContact OG1-CB 3.47Å; T399-R402 WeakPolarHBondContact OG1-CG 3.19Å; T399-R402 PolarHBondContact OG1-N 3.11Å; T399-T403 WeakPolarHBondContact O-CB 3.46Å; T399-T403 PolarHBondContact O-N 3.03Å; T399-T403 PolarHBondContact O-OG1 3.23Å; T399-T403 VanDerWaalsContact O-OG1 3.04Å
400	G	97.7	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.3	-50.8	175.8	0	0	0	0	0	111.4	N306 W309 R402 T403 L404	N306-G400 PolarHBondContact OD1-N 3.26Å; W309-G400 VanDerWaalsContact CD1-CA 3.42Å; W309-G400 VanDerWaalsContact CG-CA 3.41Å; G400-R402 VanDerWaalsContact C-N 3.34Å; G400-R402 PolarHBondContact O-N 3.25Å; G400-T403 PolarHBondContact O-N 2.84Å; G400-L404 WeakPolarHBondContact O-CB 3.49Å; G400-L404 VanDerWaalsContact O-CG 3.28Å; G400-L404 WeakPolarHBondContact O-CG 3.4Å; G400-L404 PolarHBondContact O-N 2.74Å
401	R	97.8	Very high	94.4	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-49.9	-49.8	175.9	176.7	-166.6	60.5	110.5	-9.3	113.3	Y356 G357 N358 N391 T399 G405 C414	Y356-R401 WeakPolarHBondContact O-CD 3.28Å; G357-R401 VanDerWaalsContact C-NH1 3.34Å; G357-R401 PolarHBondContact O-NH1 3.23Å; N358-R401 PolarHBondContact ND2-O 3.46Å; N358-R401 VanDerWaalsContact ND2-O 3.08Å; N358-R401 PolarHBondContact OD1-NH1 3.4Å; N391-R401 PolarHBondContact O-NH1 3.15Å; N391-R401 PolarHBondContact OD1-NH1 2.64Å; N391-R401 PolarHBondContact OD1-NH2 3Å; T399-R401 PolarHBondContact O-N 3Å; R401-G405 PolarHBondContact O-N 3.13Å; R401-G405 VanDerWaalsContact O-N 3.13Å; R401-C414 HydrophobicContact CG-CB 4.41Å; R401-C414 WeakPolarHBondContact O-CB 3.49Å
402	R	96.7	Very high	94.5	Very high	60 Å²	60	45.1 Å²	45.1	23%	0.226	25%	0.252	C	S	.	.	H	α-helix	trans	-77.7	-43.4	-174.1	-73.5	-70.9	-67.4	164	7.3	112.2	N358 N391 K392 K396 T399 G400 G406	N358-R402 WeakPolarHBondContact OD1-CD 3.34Å; N391-R402 PolarHBondContact O-NH1 3.37Å; K392-R402 VanDerWaalsContact CA-CZ 3.42Å; K392-R402 VanDerWaalsContact CA-NH1 3.34Å; K396-R402 HydrophobicContact CB-CG 4.16Å; K396-R402 VanDerWaalsContact O-CB 3.24Å; K396-R402 WeakPolarHBondContact O-CB 3.31Å; K396-R402 WeakPolarHBondContact O-CG 3.43Å; T399-R402 PolarHBondContact O-N 3.46Å; T399-R402 WeakPolarHBondContact OG1-CB 3.47Å; T399-R402 WeakPolarHBondContact OG1-CG 3.19Å; T399-R402 PolarHBondContact OG1-N 3.11Å; G400-R402 VanDerWaalsContact C-N 3.34Å; G400-R402 PolarHBondContact O-N 3.25Å; R402-G406 PolarHBondContact O-N 3.42Å
403	T	97.4	Very high	94.7	Very high	12 Å²	12	38.8 Å²	38.8	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-54.5	179.6	-58.9	0	0	0	0	109.9	W309 Q310 A397 T399 G400 G405 G406 I407	W309-T403 HydrophobicContact CB-CG2 4.15Å; Q310-T403 HydrophobicContact CG-CG2 4.23Å; Q310-T403 WeakPolarHBondContact CG-OG1 3.46Å; A397-T403 PolarHBondContact O-OG1 3.22Å; A397-T403 VanDerWaalsContact O-OG1 3.06Å; T399-T403 WeakPolarHBondContact O-CB 3.46Å; T399-T403 PolarHBondContact O-N 3.03Å; T399-T403 PolarHBondContact O-OG1 3.23Å; T399-T403 VanDerWaalsContact O-OG1 3.04Å; G400-T403 PolarHBondContact O-N 2.84Å; T403-G405 VanDerWaalsContact C-N 3.34Å; T403-G405 PolarHBondContact O-N 3.44Å; T403-G406 PolarHBondContact O-N 3.3Å; T403-G406 VanDerWaalsContact O-N 3.11Å; T403-I407 HydrophobicContact CG2-CD1 4.13Å; T403-I407 WeakPolarHBondContact O-CG1 3.33Å; T403-I407 PolarHBondContact O-N 3.11Å
404	L	97.6	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-176.8	-64.6	171.6	0	0	0	111.8	W309 L327 M328 F341 G400 G406 I407 L408	W309-L404 HydrophobicContact CE3-CD1 4.04Å; W309-L404 HydrophobicContact CE3-CD2 4.24Å; W309-L404 HydrophobicContact CE3-CG 4.15Å; W309-L404 HydrophobicContact CH2-CD1 4.23Å; W309-L404 HydrophobicContact CZ3-CD1 3.77Å; W309-L404 HydrophobicContact CZ3-CD2 4.26Å; W309-L404 HydrophobicContact CZ3-CG 4.29Å; L327-L404 HydrophobicContact CD1-CD1 3.73Å; L327-L404 HydrophobicContact CD1-CD2 4.21Å; M328-L404 HydrophobicContact CE-CD2 4.19Å; F341-L404 HydrophobicContact CD1-CD1 3.67Å; F341-L404 HydrophobicContact CD2-CD1 3.61Å; F341-L404 HydrophobicContact CE1-CD1 3.6Å; F341-L404 HydrophobicContact CE2-CD1 3.53Å; F341-L404 HydrophobicContact CG-CD1 3.68Å; F341-L404 HydrophobicContact CZ-CD1 3.53Å; G400-L404 WeakPolarHBondContact O-CB 3.49Å; G400-L404 VanDerWaalsContact O-CG 3.28Å; G400-L404 WeakPolarHBondContact O-CG 3.4Å; G400-L404 PolarHBondContact O-N 2.74Å; L404-G406 PolarHBondContact O-N 3.04Å; L404-G406 VanDerWaalsContact O-N 3.11Å; L404-I407 HydrophobicContact CD2-CD1 4.29Å; L404-I407 HydrophobicContact CD2-CG1 4.5Å; L404-I407 PolarHBondContact O-N 3.47Å; L404-I407 VanDerWaalsContact O-N 3.15Å; L404-L408 HydrophobicContact CB-CD1 3.8Å; L404-L408 HydrophobicContact CB-CG 4.27Å; L404-L408 HydrophobicContact CD2-CD1 4.24Å; L404-L408 HydrophobicContact CD2-CG 4.39Å; L404-L408 HydrophobicContact CG-CD1 4.48Å; L404-L408 WeakPolarHBondContact O-CB 3.47Å; L404-L408 WeakPolarHBondContact O-CG 3.41Å; L404-L408 PolarHBondContact O-N 3.42Å
405	G	95.5	Very high	95.5	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-14.9	176.2	0	0	0	0	0	114.8	R365 R401 T403 C414	R365-G405 PolarHBondContact NH2-O 2.74Å; R401-G405 PolarHBondContact O-N 3.13Å; R401-G405 VanDerWaalsContact O-N 3.13Å; T403-G405 VanDerWaalsContact C-N 3.34Å; T403-G405 PolarHBondContact O-N 3.44Å; G405-C414 PolarHBondContact N-SG 3.27Å; G405-C414 VanDerWaalsContact N-SG 3.45Å
406	G	93.5	Very high	95.9	Very high	64 Å²	64	26.6 Å²	26.6	66%	0.66	16%	0.156	S	C	*	.	H	α-helix	trans	-105.2	-6.6	175.4	0	0	0	0	0	115.1	R402 T403 L404	R402-G406 PolarHBondContact O-N 3.42Å; T403-G406 PolarHBondContact O-N 3.3Å; T403-G406 VanDerWaalsContact O-N 3.11Å; L404-G406 PolarHBondContact O-N 3.04Å; L404-G406 VanDerWaalsContact O-N 3.11Å
407	I	95.4	Very high	96.2	Very high	79 Å²	79	24.7 Å²	24.7	41%	0.405	15%	0.148	S	C	.	.	H	α-helix	trans	-124.9	-21.4	-178	69.5	174.1	0	0	0	114.4	M328 T403 L404	M328-I407 HydrophobicContact CE-CD1 3.62Å; M328-I407 HydrophobicContact CE-CG1 3.8Å; M328-I407 HydrophobicContact SD-CD1 3.73Å; M328-I407 HydrophobicContact SD-CG1 4.27Å; T403-I407 HydrophobicContact CG2-CD1 4.13Å; T403-I407 WeakPolarHBondContact O-CG1 3.33Å; T403-I407 PolarHBondContact O-N 3.11Å; L404-I407 HydrophobicContact CD2-CD1 4.29Å; L404-I407 HydrophobicContact CD2-CG1 4.5Å; L404-I407 PolarHBondContact O-N 3.47Å; L404-I407 VanDerWaalsContact O-N 3.15Å
408	L	96.6	Very high	96.5	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.042	14%	0.141	C	C	.	.	S	Bend	trans	-79.1	161.8	170	-65.7	174.1	0	0	0	109.7	M328 D331 L404 T412	M328-L408 HydrophobicContact CE-CD2 3.22Å; M328-L408 HydrophobicContact CE-CG 3.94Å; D331-L408 HydrophobicContact CB-CD2 3.58Å; D331-L408 VanDerWaalsContact CG-CD2 3.43Å; D331-L408 WeakPolarHBondContact OD2-CA 3.28Å; L404-L408 HydrophobicContact CB-CD1 3.8Å; L404-L408 HydrophobicContact CB-CG 4.27Å; L404-L408 HydrophobicContact CD2-CD1 4.24Å; L404-L408 HydrophobicContact CD2-CG 4.39Å; L404-L408 HydrophobicContact CG-CD1 4.48Å; L404-L408 WeakPolarHBondContact O-CB 3.47Å; L404-L408 WeakPolarHBondContact O-CG 3.41Å; L404-L408 PolarHBondContact O-N 3.42Å; L408-T412 HydrophobicContact CB-CG2 4.26Å; L408-T412 HydrophobicContact CD1-CG2 3.78Å
409	D	94.3	Very high	96.7	Very high	72 Å²	72	23.8 Å²	23.8	39%	0.385	14%	0.136	S	C	.	.			trans	-50.3	149.5	176.9	-83.4	-11.6	0	0	0	113.5	D331 H411 T412	D331-D409 PolarHBondContact OD1-N 2.78Å; D331-D409 PolarHBondContact OD2-N 3.38Å; D409-H411 WeakPolarHBondContact CB-CE1 3.45Å; D409-H411 VanDerWaalsContact CB-ND1 3.29Å; D409-H411 WeakPolarHBondContact CB-ND1 3.32Å; D409-H411 PolarHBondContact O-N 2.97Å; D409-H411 IonicContact OD2-CE1 3.7Å; D409-H411 PolarHBondContact OD2-CE1 2.82Å; D409-H411 VanDerWaalsContact OD2-CE1 3.23Å; D409-H411 IonicContact OD2-ND1 3.14Å; D409-T412 WeakPolarHBondContact O-CB 3.31Å; D409-T412 PolarHBondContact O-N 3.08Å; D409-T412 PolarHBondContact O-OG1 2.84Å
410	D	92.3	Very high	96.7	Very high	118 Å²	118	23.5 Å²	23.5	63%	0.631	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.9	-176	-80.3	-27.8	0	0	0	114.6	R365 T412	R365-D410 VanDerWaalsContact CD-O 3.28Å; R365-D410 WeakPolarHBondContact CD-O 3.4Å; R365-D410 IonicContact CZ-OD1 3.74Å; R365-D410 PolarHBondContact NE-O 3.07Å; R365-D410 IonicContact NH1-OD1 3.96Å; R365-D410 PolarHBondContact NH1-OD1 3.47Å; D410-T412 VanDerWaalsContact C-N 3.33Å
411	H	91.1	Very high	96.6	Very high	44 Å²	44	23.5 Å²	23.5	20%	0.204	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-19.8	176	71.3	-94.5	0	0	0	112.6	D337 V338 D409	D337-H411 IonicContact OD1-CD2 3.21Å; D337-H411 PolarHBondContact OD1-CD2 2.68Å; D337-H411 IonicContact OD1-CE1 2.6Å; D337-H411 PolarHBondContact OD1-CE1 2.92Å; D337-H411 VanDerWaalsContact OD1-CE1 3.23Å; D337-H411 IonicContact OD1-CG 3.79Å; D337-H411 IonicContact OD1-ND1 3.71Å; D337-H411 IonicContact OD1-NE2 3.57Å; D337-H411 PolarHBondContact OD1-NE2 2.68Å; V338-H411 PolarHBondContact N-NE2 2.83Å; V338-H411 PolarHBondContact O-CD2 3.47Å; V338-H411 PolarHBondContact O-NE2 3.46Å; V338-H411 VanDerWaalsContact O-NE2 3.14Å; D409-H411 WeakPolarHBondContact CB-CE1 3.45Å; D409-H411 VanDerWaalsContact CB-ND1 3.29Å; D409-H411 WeakPolarHBondContact CB-ND1 3.32Å; D409-H411 PolarHBondContact O-N 2.97Å; D409-H411 IonicContact OD2-CE1 3.7Å; D409-H411 PolarHBondContact OD2-CE1 2.82Å; D409-H411 VanDerWaalsContact OD2-CE1 3.23Å; D409-H411 IonicContact OD2-ND1 3.14Å
412	T	96.9	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.			trans	-75.3	127.5	178.6	-48.5	0	0	0	0	110.8	V338 R365 L408 D409 D410	V338-T412 HydrophobicContact CG1-CG2 4.02Å; V338-T412 WeakPolarHBondContact O-CA 3.41Å; V338-T412 VanDerWaalsContact O-CB 3.22Å; V338-T412 WeakPolarHBondContact O-CB 3.36Å; V338-T412 VanDerWaalsContact O-CG2 3.28Å; V338-T412 WeakPolarHBondContact O-CG2 3.39Å; V338-T412 PolarHBondContact O-OG1 3.02Å; R365-T412 PolarHBondContact NH2-O 2.88Å; R365-T412 VanDerWaalsContact NH2-O 3.08Å; L408-T412 HydrophobicContact CB-CG2 4.26Å; L408-T412 HydrophobicContact CD1-CG2 3.78Å; D409-T412 WeakPolarHBondContact O-CB 3.31Å; D409-T412 PolarHBondContact O-N 3.08Å; D409-T412 PolarHBondContact O-OG1 2.84Å; D410-T412 VanDerWaalsContact C-N 3.33Å
413	I	97.9	Very high	96.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.3	174.7	-48.7	-60.8	0	0	0	110.1	N339 F340 F341 R365 Q369 Y415	N339-I413 PolarHBondContact O-N 3.35Å; F340-I413 WeakPolarHBondContact CA-O 3.38Å; F340-I413 HydrophobicContact CD1-CB 4.45Å; F341-I413 PolarHBondContact N-O 3.01Å; R365-I413 HydrophobicContact CG-CD1 3.96Å; Q369-I413 HydrophobicContact CB-CD1 4.44Å; Q369-I413 HydrophobicContact CB-CG2 3.88Å; Q369-I413 HydrophobicContact CG-CG2 3.65Å; I413-Y415 HydrophobicContact CB-CE2 4.05Å; I413-Y415 HydrophobicContact CG2-CD2 4.16Å; I413-Y415 HydrophobicContact CG2-CE1 4.12Å; I413-Y415 HydrophobicContact CG2-CE2 3.36Å; I413-Y415 VanDerWaalsContact CG2-OH 3.32Å; I413-Y415 WeakPolarHBondContact CG2-OH 3.45Å
414	C	98.4	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.6	-178.1	-62.7	0	0	0	0	111.2	F341 R401 G405	F341-C414 HydrophobicContact CB-CB 4.44Å; F341-C414 HydrophobicContact CD1-CB 4.19Å; F341-C414 CarbonylContact O-C 3.52Å; F341-C414 VanDerWaalsContact O-CA 3.29Å; F341-C414 WeakPolarHBondContact O-CA 3.43Å; R401-C414 HydrophobicContact CG-CB 4.41Å; R401-C414 WeakPolarHBondContact O-CB 3.49Å; G405-C414 PolarHBondContact N-SG 3.27Å; G405-C414 VanDerWaalsContact N-SG 3.45Å
415	Y	98.6	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.3	175.6	-59.1	-82.7	0	0	0	112.5	F340 F341 I342 D343 M355 Y356 Q369 F372 P373 F390 I413	F340-Y415 HydrophobicContact CD1-CD2 4.28Å; F340-Y415 AromaticContact CD1-CE2 3.82Å; F340-Y415 HydrophobicContact CD1-CE2 3.82Å; F340-Y415 AromaticContact CE1-CE2 3.84Å; F340-Y415 HydrophobicContact CE1-CE2 3.84Å; F341-Y415 PolarHBondContact O-N 2.99Å; I342-Y415 WeakPolarHBondContact CA-O 3.29Å; I342-Y415 HydrophobicContact CD1-CD2 4.42Å; I342-Y415 HydrophobicContact CG1-CD2 4.15Å; D343-Y415 PolarHBondContact N-O 2.88Å; M355-Y415 HydrophobicContact CB-CD1 4.3Å; M355-Y415 HydrophobicContact SD-CD1 3.89Å; M355-Y415 HydrophobicContact SD-CE1 4.37Å; M355-Y415 HydrophobicContact SD-CG 3.98Å; Y356-Y415 CarbonylContact O-C 3.59Å; Y356-Y415 VanDerWaalsContact O-CA 3.29Å; Y356-Y415 WeakPolarHBondContact O-CA 3.47Å; Q369-Y415 VanDerWaalsContact CA-OH 3.31Å; Q369-Y415 WeakPolarHBondContact CA-OH 3.2Å; Q369-Y415 HydrophobicContact CG-CE1 3.57Å; Q369-Y415 WeakPolarHBondContact CG-OH 3.49Å; Q369-Y415 PolarHBondContact O-OH 3.3Å; F372-Y415 HydrophobicContact CB-CE2 4.43Å; P373-Y415 HydrophobicContact CG-CE1 3.87Å; F390-Y415 HydrophobicContact CE1-CE1 4.34Å; I413-Y415 HydrophobicContact CB-CE2 4.05Å; I413-Y415 HydrophobicContact CG2-CD2 4.16Å; I413-Y415 HydrophobicContact CG2-CE1 4.12Å; I413-Y415 HydrophobicContact CG2-CE2 3.36Å; I413-Y415 VanDerWaalsContact CG2-OH 3.32Å; I413-Y415 WeakPolarHBondContact CG2-OH 3.45Å
416	T	98.7	Very high	95.8	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.049	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.7	153.1	-59.7	0	0	0	0	107.4	D343 H345 M355 Y356 E418	D343-T416 CarbonylContact O-C 3.58Å; D343-T416 VanDerWaalsContact O-CA 3.29Å; D343-T416 WeakPolarHBondContact O-CA 3.22Å; H345-T416 HydrophobicContact CB-CG2 4.19Å; M355-T416 CarbonylContact C-O 3.56Å; M355-T416 VanDerWaalsContact CA-O 3.23Å; M355-T416 WeakPolarHBondContact CA-O 3.28Å; Y356-T416 HydrophobicContact CD2-CG2 4.39Å; Y356-T416 PolarHBondContact N-O 3.39Å; Y356-T416 PolarHBondContact O-N 3.37Å; T416-E418 HydrophobicContact CG2-CG 4.23Å
417	L	98.8	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.4	170.3	174.2	60.4	0	0	0	108.5	V256 I342 D343 I344 H345 M355 L376 F383 L447	V256-L417 HydrophobicContact CG1-CD2 4.26Å; I342-L417 HydrophobicContact CG2-CB 3.87Å; D343-L417 PolarHBondContact O-N 2.96Å; I344-L417 CarbonylContact C-O 3.54Å; I344-L417 WeakPolarHBondContact CA-O 3.47Å; I344-L417 HydrophobicContact CG1-CB 4.49Å; I344-L417 HydrophobicContact CG1-CD2 4.4Å; H345-L417 PolarHBondContact N-O 2.91Å; M355-L417 HydrophobicContact CE-CB 4.18Å; M355-L417 HydrophobicContact CE-CD1 3.91Å; M355-L417 HydrophobicContact CE-CD2 4.47Å; M355-L417 HydrophobicContact CE-CG 4.41Å; M355-L417 HydrophobicContact CG-CB 4.4Å; M355-L417 HydrophobicContact CG-CD1 3.93Å; L376-L417 HydrophobicContact CD2-CD1 4.48Å; F383-L417 HydrophobicContact CD2-CD1 4.36Å; F383-L417 HydrophobicContact CE2-CD1 3.96Å; L417-L447 HydrophobicContact CD2-CD1 4.36Å; L417-L447 HydrophobicContact CD2-CD2 3.98Å
418	E	98.7	Very high	94.2	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.7	176.6	-69.1	-72.9	179.4	0	0	110.1	H345 A346 H347 G353 F354 Y356 T416	H345-E418 VanDerWaalsContact CB-CD 3.5Å; H345-E418 VanDerWaalsContact CB-OE2 3.26Å; H345-E418 WeakPolarHBondContact CB-OE2 3.31Å; A346-E418 VanDerWaalsContact C-OE2 3.27Å; A346-E418 PolarHBondContact N-OE2 3.37Å; H347-E418 HydrophobicContact CB-CB 4.3Å; H347-E418 IonicContact CD2-OE2 3.45Å; H347-E418 PolarHBondContact N-OE2 3.3Å; G353-E418 CarbonylContact C-O 3.54Å; G353-E418 WeakPolarHBondContact CA-O 3.49Å; F354-E418 HydrophobicContact CD1-CB 4.44Å; F354-E418 HydrophobicContact CD2-CB 3.89Å; F354-E418 HydrophobicContact CD2-CG 4.25Å; F354-E418 HydrophobicContact CE1-CB 4.1Å; F354-E418 HydrophobicContact CE2-CB 3.51Å; F354-E418 HydrophobicContact CE2-CG 3.66Å; F354-E418 HydrophobicContact CG-CB 4.34Å; F354-E418 HydrophobicContact CZ-CB 3.61Å; F354-E418 HydrophobicContact CZ-CG 4.07Å; F354-E418 PolarHBondContact N-O 3.2Å; F354-E418 PolarHBondContact O-N 3.45Å; Y356-E418 HydrophobicContact CD2-CG 4Å; Y356-E418 HydrophobicContact CE2-CG 3.75Å; T416-E418 HydrophobicContact CG2-CG 4.23Å
419	V	98.4	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.5	167.8	67.9	0	0	0	0	111.2	P252 V256 H345 A346 H347 Y435 Y440 L443	P252-V419 HydrophobicContact CB-CG1 3.53Å; V256-V419 HydrophobicContact CG2-CB 4.35Å; V256-V419 HydrophobicContact CG2-CG1 3.86Å; H345-V419 PolarHBondContact O-N 3.36Å; A346-V419 CarbonylContact C-O 3.6Å; A346-V419 WeakPolarHBondContact CA-O 3.2Å; A346-V419 HydrophobicContact CB-CG1 4.32Å; A346-V419 WeakPolarHBondContact CB-O 3.45Å; H347-V419 PolarHBondContact N-O 3.27Å; V419-Y435 HydrophobicContact CG2-CE1 4.11Å; V419-Y435 HydrophobicContact CG2-CE2 3.99Å; V419-Y440 HydrophobicContact CG1-CD1 4.31Å; V419-Y440 HydrophobicContact CG1-CE1 4.4Å; V419-Y440 HydrophobicContact CG2-CD1 3.74Å; V419-Y440 HydrophobicContact CG2-CE1 3.8Å; V419-L443 HydrophobicContact CB-CD2 3.9Å; V419-L443 HydrophobicContact CG2-CD2 3.64Å
420	S	98	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	141.9	178.5	171.6	0	0	0	0	113.2	L350 N352 Y422 S423 Y440	L350-S420 VanDerWaalsContact O-CB 3.23Å; L350-S420 WeakPolarHBondContact O-CB 3.29Å; L350-S420 PolarHBondContact O-OG 3.18Å; N352-S420 WeakPolarHBondContact O-CB 3.5Å; N352-S420 PolarHBondContact O-N 2.9Å; S420-Y422 PolarHBondContact O-N 3.46Å; S420-Y422 PolarHBondContact OG-N 3.11Å; S420-S423 VanDerWaalsContact CB-O 3.31Å; S420-S423 WeakPolarHBondContact CB-O 3.41Å; S420-S423 PolarHBondContact OG-N 3.4Å; S420-S423 PolarHBondContact OG-O 3.23Å; S420-S423 VanDerWaalsContact OG-O 3.06Å; S420-Y440 VanDerWaalsContact O-CE1 3.24Å; S420-Y440 WeakPolarHBondContact O-CE1 3.38Å; S420-Y440 PolarHBondContact O-OH 2.84Å; S420-Y440 VanDerWaalsContact O-OH 3.06Å
421	F	97.2	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-70.2	-15.2	169.6	-83.8	-80.3	0	0	0	114.7	L125 M130 R144 Y181 C182 G249 E250 P252 Y296 A346 H347 Y440	L125-F421 HydrophobicContact CD1-CB 4.36Å; M130-F421 HydrophobicContact CE-CB 4.06Å; M130-F421 HydrophobicContact SD-CB 3.88Å; R144-F421 PolarHBondContact NH2-O 2.63Å; Y181-F421 HydrophobicContact CD1-CD1 4.2Å; Y181-F421 AromaticContact CD1-CE1 3.93Å; Y181-F421 HydrophobicContact CD1-CE1 3.93Å; Y181-F421 HydrophobicContact CD1-CZ 4.41Å; Y181-F421 AromaticContact CE1-CD1 3.61Å; Y181-F421 HydrophobicContact CE1-CD1 3.61Å; Y181-F421 HydrophobicContact CE1-CD2 4.26Å; Y181-F421 AromaticContact CE1-CE1 3.48Å; Y181-F421 HydrophobicContact CE1-CE1 3.48Å; Y181-F421 VanDerWaalsContact CE1-CE1 3.48Å; Y181-F421 HydrophobicContact CE1-CE2 4.16Å; Y181-F421 AromaticContact CE1-CG 3.94Å; Y181-F421 HydrophobicContact CE1-CG 3.94Å; Y181-F421 AromaticContact CE1-CZ 3.7Å; Y181-F421 HydrophobicContact CE1-CZ 3.7Å; C182-F421 HydrophobicContact CB-CD1 3.71Å; C182-F421 HydrophobicContact CB-CE1 4.07Å; G249-F421 VanDerWaalsContact O-CE1 3.25Å; G249-F421 WeakPolarHBondContact O-CE1 3.37Å; G249-F421 VanDerWaalsContact O-CZ 3.25Å; G249-F421 WeakPolarHBondContact O-CZ 3.37Å; E250-F421 VanDerWaalsContact CA-CZ 3.41Å; E250-F421 HydrophobicContact CB-CZ 4.24Å; E250-F421 HydrophobicContact CG-CE2 4.14Å; E250-F421 HydrophobicContact CG-CZ 4Å; P252-F421 HydrophobicContact CG-CD1 3.69Å; P252-F421 HydrophobicContact CG-CE1 4.1Å; P252-F421 HydrophobicContact CG-CG 4.32Å; Y296-F421 HydrophobicContact CE2-CZ 4.38Å; A346-F421 HydrophobicContact CB-CD2 4.17Å; A346-F421 HydrophobicContact CB-CE1 4.42Å; A346-F421 HydrophobicContact CB-CE2 3.91Å; A346-F421 HydrophobicContact CB-CZ 4.12Å; H347-F421 WeakPolarHBondContact O-CD2 3.19Å; H347-F421 PolarHBondContact O-N 2.93Å; F421-Y440 VanDerWaalsContact C-OH 3.24Å; F421-Y440 PolarHBondContact O-OH 3.05Å; F421-Y440 VanDerWaalsContact O-OH 3.09Å
422	Y	96.2	Very high	93.3	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.059	20%	0.199	C	C	.	.	S	Bend	trans	-112.2	-79.3	-168.9	178.9	-147	0	0	0	111.8	E128 G129 M130 R144 S420 M432 P434 Y435	E128-Y422 VanDerWaalsContact O-CE1 3.3Å; E128-Y422 WeakPolarHBondContact O-CE1 3.5Å; G129-Y422 PolarHBondContact O-OH 3.16Å; M130-Y422 HydrophobicContact CB-CD1 4.12Å; M130-Y422 HydrophobicContact CB-CD2 3.87Å; M130-Y422 HydrophobicContact CB-CE2 4.43Å; M130-Y422 HydrophobicContact CB-CG 3.69Å; M130-Y422 HydrophobicContact CG-CD2 4.11Å; M130-Y422 HydrophobicContact CG-CG 4.12Å; R144-Y422 PolarHBondContact NH2-O 3.23Å; S420-Y422 PolarHBondContact O-N 3.46Å; S420-Y422 PolarHBondContact OG-N 3.11Å; Y422-M432 HydrophobicContact CD1-SD 4.15Å; Y422-M432 HydrophobicContact CE1-SD 3.33Å; Y422-M432 WeakPolarHBondContact CE1-SD 3.43Å; Y422-P434 HydrophobicContact CE2-CG 4.44Å; Y422-P434 WeakPolarHBondContact O-CA 3.27Å; Y422-Y435 PolarHBondContact O-N 3.47Å
423	S	96.1	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.2	-167.4	57.9	0	0	0	0	111.5	M351 N352 S420 M432 I433	M351-S423 WeakPolarHBondContact CA-O 3.23Å; M351-S423 WeakPolarHBondContact CB-O 3.29Å; M351-S423 PolarHBondContact SD-OG 2.94Å; N352-S423 PolarHBondContact N-O 2.77Å; S420-S423 VanDerWaalsContact CB-O 3.31Å; S420-S423 WeakPolarHBondContact CB-O 3.41Å; S420-S423 PolarHBondContact OG-N 3.4Å; S420-S423 PolarHBondContact OG-O 3.23Å; S420-S423 VanDerWaalsContact OG-O 3.06Å; S423-M432 VanDerWaalsContact CB-CG 3.46Å; S423-M432 WeakPolarHBondContact OG-CG 3.18Å; S423-M432 PolarHBondContact OG-SD 3.26Å; S423-I433 WeakPolarHBondContact CA-O 3.49Å; S423-I433 WeakPolarHBondContact CB-O 3.28Å
424	Y	96.1	Very high	93	Very high	2 Å²	2	42 Å²	42	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.1	161.4	64.9	-83	0	0	0	109.2	N352 E381 D382 I433 Y435 K439 R442	N352-Y424 WeakPolarHBondContact OD1-CA 3.46Å; N352-Y424 WeakPolarHBondContact OD1-CB 3.11Å; E381-Y424 HydrophobicContact CG-CE2 4.12Å; E381-Y424 PolarHBondContact OE1-OH 3.14Å; D382-Y424 HydrophobicContact CB-CD1 3.69Å; D382-Y424 HydrophobicContact CB-CD2 3.45Å; D382-Y424 VanDerWaalsContact CB-CD2 3.45Å; D382-Y424 HydrophobicContact CB-CE1 4.08Å; D382-Y424 HydrophobicContact CB-CE2 3.85Å; D382-Y424 HydrophobicContact CB-CG 3.36Å; Y424-I433 HydrophobicContact CD1-CB 4.45Å; Y424-I433 HydrophobicContact CE1-CB 3.98Å; Y424-I433 HydrophobicContact CE1-CG2 3.78Å; Y424-I433 HydrophobicContact CE2-CB 4.2Å; Y424-I433 HydrophobicContact CE2-CD1 4.18Å; Y424-I433 PolarHBondContact N-O 3.25Å; Y424-I433 VanDerWaalsContact N-O 3.07Å; Y424-I433 PolarHBondContact O-N 2.91Å; Y424-Y435 HydrophobicContact CD1-CD1 4.15Å; Y424-Y435 HydrophobicContact CD1-CD2 4.18Å; Y424-Y435 AromaticContact CD1-CE1 3.77Å; Y424-Y435 HydrophobicContact CD1-CE1 3.77Å; Y424-Y435 AromaticContact CD1-CE2 3.8Å; Y424-Y435 HydrophobicContact CD1-CE2 3.8Å; Y424-Y435 HydrophobicContact CD1-CG 4.34Å; Y424-Y435 AromaticContact CD1-CZ 3.6Å; Y424-Y435 HydrophobicContact CE1-CD1 4.41Å; Y424-Y435 HydrophobicContact CE1-CE1 4.23Å; Y424-Y435 HydrophobicContact CG-CE2 4.37Å; Y424-K439 HydrophobicContact CE1-CD 4.09Å; Y424-R442 PolarHBondContact OH-NH2 3.05Å
425	T	93	Very high	93	Very high	30 Å²	30	42 Å²	42	18%	0.184	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.6	173.2	-52.5	0	0	0	0	107.9	N352 M427 E431	N352-T425 PolarHBondContact OD1-N 3.26Å; T425-M427 PolarHBondContact O-N 2.84Å; T425-E431 WeakPolarHBondContact CA-O 3.33Å
426	N	86.2	Confident	92.9	Very high	16 Å²	16	44.7 Å²	44.7	9%	0.086	24%	0.238	C	C	.	.			trans	-66.6	120.8	172.6	-176.5	-64.7	0	0	0	108.8	E381 L428 T429 N430 E431 I433	E381-N426 PolarHBondContact OE2-ND2 3.39Å; N426-L428 PolarHBondContact O-N 3.22Å; N426-L428 WeakPolarHBondContact OD1-CA 3.28Å; N426-L428 WeakPolarHBondContact OD1-CB 3.47Å; N426-L428 PolarHBondContact OD1-N 2.96Å; N426-T429 WeakPolarHBondContact CB-OG1 3.42Å; N426-T429 PolarHBondContact OD1-N 3.33Å; N426-T429 PolarHBondContact OD1-OG1 3.41Å; N426-N430 WeakPolarHBondContact O-CA 3.43Å; N426-N430 PolarHBondContact O-N 3.07Å; N426-E431 PolarHBondContact N-O 2.65Å; N426-I433 HydrophobicContact CB-CD1 3.82Å; N426-I433 HydrophobicContact CB-CG1 4.47Å
427	M	76.7	Confident	92.8	Very high	145 Å²	145	46.2 Å²	46.2	71%	0.714	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	-174.9	-67	-65.6	-66.3	0	0	113.8	T425	T425-M427 PolarHBondContact O-N 2.84Å
428	L	78.9	Confident	92.7	Very high	163 Å²	163	49 Å²	49	85%	0.853	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-44.9	-178.6	-61.4	171.9	0	0	0	111.8	N426	N426-L428 PolarHBondContact O-N 3.22Å; N426-L428 WeakPolarHBondContact OD1-CA 3.28Å; N426-L428 WeakPolarHBondContact OD1-CB 3.47Å; N426-L428 PolarHBondContact OD1-N 2.96Å
429	T	85.3	Confident	92.6	Very high	86 Å²	86	51 Å²	51	53%	0.528	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.5	-176.6	64.3	0	0	0	0	113.2	N426 E431	N426-T429 WeakPolarHBondContact CB-OG1 3.42Å; N426-T429 PolarHBondContact OD1-N 3.33Å; N426-T429 PolarHBondContact OD1-OG1 3.41Å; T429-E431 PolarHBondContact O-N 2.74Å; T429-E431 VanDerWaalsContact O-N 3.11Å; T429-E431 WeakPolarHBondContact OG1-CB 3.17Å; T429-E431 PolarHBondContact OG1-N 3.09Å
430	N	86.2	Confident	92.6	Very high	133 Å²	133	51 Å²	51	71%	0.711	27%	0.266	S	S	*	.			trans	54.8	19.5	-168.7	-158.7	48.1	0	0	0	113.2	N426	N426-N430 WeakPolarHBondContact O-CA 3.43Å; N426-N430 PolarHBondContact O-N 3.07Å
431	E	91.1	Very high	92.6	Very high	117 Å²	117	51 Å²	51	55%	0.547	27%	0.266	S	S	.	.			trans	-81.9	136.9	179.3	-171.4	-177.1	173.7	0	0	110.1	T425 N426 T429 I433	T425-E431 WeakPolarHBondContact CA-O 3.33Å; N426-E431 PolarHBondContact N-O 2.65Å; T429-E431 PolarHBondContact O-N 2.74Å; T429-E431 VanDerWaalsContact O-N 3.11Å; T429-E431 WeakPolarHBondContact OG1-CB 3.17Å; T429-E431 PolarHBondContact OG1-N 3.09Å; E431-I433 HydrophobicContact CB-CG1 4.43Å; E431-I433 HydrophobicContact CG-CG1 4.26Å; E431-I433 PolarHBondContact O-N 2.85Å
432	M	91.4	Very high	92.6	Very high	74 Å²	74	52.6 Å²	52.6	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.4	172.6	-172	-174.2	-55.7	0	0	109.9	M351 Y422 S423	M351-M432 HydrophobicContact CE-CE 4.15Å; M351-M432 HydrophobicContact SD-CE 3.51Å; M351-M432 VanDerWaalsContact SD-CE 3.51Å; M351-M432 HydrophobicContact SD-CG 4.2Å; M351-M432 HydrophobicContact SD-SD 3.82Å; Y422-M432 HydrophobicContact CD1-SD 4.15Å; Y422-M432 HydrophobicContact CE1-SD 3.33Å; Y422-M432 WeakPolarHBondContact CE1-SD 3.43Å; S423-M432 VanDerWaalsContact CB-CG 3.46Å; S423-M432 WeakPolarHBondContact OG-CG 3.18Å; S423-M432 PolarHBondContact OG-SD 3.26Å
433	I	94.5	Very high	92.7	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.8	-174.8	-61.9	-178.3	0	0	0	109	S423 Y424 N426 E431 Y435 K439	S423-I433 WeakPolarHBondContact CA-O 3.49Å; S423-I433 WeakPolarHBondContact CB-O 3.28Å; Y424-I433 HydrophobicContact CD1-CB 4.45Å; Y424-I433 HydrophobicContact CE1-CB 3.98Å; Y424-I433 HydrophobicContact CE1-CG2 3.78Å; Y424-I433 HydrophobicContact CE2-CB 4.2Å; Y424-I433 HydrophobicContact CE2-CD1 4.18Å; Y424-I433 PolarHBondContact N-O 3.25Å; Y424-I433 VanDerWaalsContact N-O 3.07Å; Y424-I433 PolarHBondContact O-N 2.91Å; N426-I433 HydrophobicContact CB-CD1 3.82Å; N426-I433 HydrophobicContact CB-CG1 4.47Å; E431-I433 HydrophobicContact CB-CG1 4.43Å; E431-I433 HydrophobicContact CG-CG1 4.26Å; E431-I433 PolarHBondContact O-N 2.85Å; I433-Y435 PolarHBondContact O-N 2.92Å; I433-K439 HydrophobicContact CG2-CD 4.24Å
434	P	95.4	Very high	92.8	Very high	55 Å²	55	51.9 Å²	51.9	36%	0.357	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.4	174.5	-23.6	34.4	0	0	0	111.6	Y422	Y422-P434 HydrophobicContact CE2-CG 4.44Å; Y422-P434 WeakPolarHBondContact O-CA 3.27Å
435	Y	97.1	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.			trans	-67.5	135.5	169.3	-80.3	-77.9	0	0	0	110.4	R144 Y183 D382 V419 Y422 Y424 I433 K439 Y440	R144-Y435 PolarHBondContact NE-O 2.92Å; R144-Y435 PolarHBondContact NH2-O 2.85Å; Y183-Y435 WeakPolarHBondContact CE2-O 3.39Å; Y183-Y435 PolarHBondContact OH-O 2.92Å; D382-Y435 HydrophobicContact CB-CE1 4.33Å; D382-Y435 WeakPolarHBondContact CB-OH 3.37Å; D382-Y435 PolarHBondContact O-OH 3.46Å; D382-Y435 VanDerWaalsContact OD2-CE1 3.23Å; D382-Y435 WeakPolarHBondContact OD2-CE1 3.13Å; D382-Y435 PolarHBondContact OD2-OH 3.04Å; V419-Y435 HydrophobicContact CG2-CE1 4.11Å; V419-Y435 HydrophobicContact CG2-CE2 3.99Å; Y422-Y435 PolarHBondContact O-N 3.47Å; Y424-Y435 HydrophobicContact CD1-CD1 4.15Å; Y424-Y435 HydrophobicContact CD1-CD2 4.18Å; Y424-Y435 AromaticContact CD1-CE1 3.77Å; Y424-Y435 HydrophobicContact CD1-CE1 3.77Å; Y424-Y435 AromaticContact CD1-CE2 3.8Å; Y424-Y435 HydrophobicContact CD1-CE2 3.8Å; Y424-Y435 HydrophobicContact CD1-CG 4.34Å; Y424-Y435 AromaticContact CD1-CZ 3.6Å; Y424-Y435 HydrophobicContact CE1-CD1 4.41Å; Y424-Y435 HydrophobicContact CE1-CE1 4.23Å; Y424-Y435 HydrophobicContact CG-CE2 4.37Å; I433-Y435 PolarHBondContact O-N 2.92Å; Y435-K439 HydrophobicContact CD1-CB 3.8Å; Y435-K439 HydrophobicContact CE1-CB 4.46Å; Y435-Y440 WeakPolarHBondContact CB-OH 3.21Å; Y435-Y440 AromaticContact CD1-CD1 3.4Å; Y435-Y440 HydrophobicContact CD1-CD1 3.4Å; Y435-Y440 VanDerWaalsContact CD1-CD1 3.4Å; Y435-Y440 AromaticContact CD1-CE1 3.49Å; Y435-Y440 HydrophobicContact CD1-CE1 3.49Å; Y435-Y440 VanDerWaalsContact CD1-CE1 3.49Å; Y435-Y440 HydrophobicContact CD1-CG 4.14Å; Y435-Y440 HydrophobicContact CD2-CD1 4.32Å; Y435-Y440 AromaticContact CD2-CE1 3.58Å; Y435-Y440 HydrophobicContact CD2-CE1 3.58Å; Y435-Y440 AromaticContact CE1-CD1 3.92Å; Y435-Y440 HydrophobicContact CE1-CD1 3.92Å; Y435-Y440 HydrophobicContact CE1-CE1 4.14Å; Y435-Y440 HydrophobicContact CE2-CE1 4.22Å; Y435-Y440 AromaticContact CG-CD1 3.64Å; Y435-Y440 HydrophobicContact CG-CD1 3.64Å; Y435-Y440 AromaticContact CG-CE1 3.17Å; Y435-Y440 HydrophobicContact CG-CE1 3.17Å; Y435-Y440 HydrophobicContact CG-CG 4.47Å; Y435-Y440 AromaticContact CG-CZ 3.7Å
436	T	96.2	Very high	93.1	Very high	56 Å²	56	50.8 Å²	50.8	34%	0.344	26%	0.262	S	S	.	.			trans	-104.1	169.8	162.6	63.1	0	0	0	0	109.1	E438 K439 Y440	T436-E438 PolarHBondContact O-N 2.87Å; T436-K439 PolarHBondContact O-N 3.34Å; T436-K439 VanDerWaalsContact O-N 3.13Å; T436-K439 WeakPolarHBondContact OG1-CG 3.39Å; T436-K439 PolarHBondContact OG1-N 3.11Å; T436-Y440 VanDerWaalsContact O-CD2 3.29Å; T436-Y440 WeakPolarHBondContact O-CD2 3.38Å; T436-Y440 PolarHBondContact O-N 2.79Å; T436-Y440 VanDerWaalsContact O-N 3.08Å
437	E	96.8	Very high	93.7	Very high	39 Å²	39	50 Å²	50	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-51.3	-45	172.8	-60.3	-171.6	140.5	0	0	111.8	Y183 Y255 Y440 A441	Y183-E437 HydrophobicContact CD1-CG 3.97Å; Y183-E437 HydrophobicContact CD2-CG 4.23Å; Y183-E437 HydrophobicContact CE1-CG 4.49Å; Y183-E437 HydrophobicContact CG-CG 3.82Å; Y255-E437 HydrophobicContact CD1-CB 3.78Å; Y255-E437 HydrophobicContact CD1-CG 4.13Å; Y255-E437 HydrophobicContact CE1-CB 3.61Å; Y255-E437 VanDerWaalsContact CE1-CD 3.5Å; Y255-E437 HydrophobicContact CE1-CG 3.47Å; Y255-E437 VanDerWaalsContact CE1-CG 3.47Å; Y255-E437 WeakPolarHBondContact CE1-OE1 3.34Å; Y255-E437 PolarHBondContact OH-OE1 3.08Å; E437-Y440 PolarHBondContact O-N 3.29Å; E437-A441 PolarHBondContact O-N 2.96Å; E437-A441 VanDerWaalsContact O-N 3.11Å
438	E	96.8	Very high	94.7	Very high	59 Å²	59	43.1 Å²	43.1	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-40.2	178.6	-177.9	52.8	-131.2	0	0	112.7	T436 Y440 A441 R442 R445 I481	T436-E438 PolarHBondContact O-N 2.87Å; E438-Y440 VanDerWaalsContact C-N 3.32Å; E438-Y440 PolarHBondContact O-N 2.9Å; E438-A441 PolarHBondContact O-N 3.46Å; E438-R442 WeakPolarHBondContact O-CB 3.48Å; E438-R442 PolarHBondContact O-N 2.93Å; E438-R445 IonicContact OE1-CZ 3.96Å; E438-R445 IonicContact OE1-NH1 2.92Å; E438-R445 PolarHBondContact OE1-NH1 3.32Å; E438-R445 IonicContact OE1-NH2 2.76Å; E438-R445 PolarHBondContact OE1-NH2 2.95Å; E438-I481 WeakPolarHBondContact OE2-CB 3.34Å; E438-I481 PolarHBondContact OE2-N 3.42Å
439	K	96.6	Very high	95.5	Very high	58 Å²	58	36.1 Å²	36.1	25%	0.252	19%	0.186	S	C	.	.	H	α-helix	trans	-68.3	-32.9	179	-71.4	178.7	179	-178.6	0	112.1	Y424 I433 Y435 T436 R442 L443	Y424-K439 HydrophobicContact CE1-CD 4.09Å; I433-K439 HydrophobicContact CG2-CD 4.24Å; Y435-K439 HydrophobicContact CD1-CB 3.8Å; Y435-K439 HydrophobicContact CE1-CB 4.46Å; T436-K439 PolarHBondContact O-N 3.34Å; T436-K439 VanDerWaalsContact O-N 3.13Å; T436-K439 WeakPolarHBondContact OG1-CG 3.39Å; T436-K439 PolarHBondContact OG1-N 3.11Å; K439-R442 PolarHBondContact O-N 2.92Å; K439-L443 PolarHBondContact O-N 3.15Å
440	Y	98.3	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-45.4	169.2	-68.1	-50.2	0	0	0	111.7	Y183 P252 Y255 V256 V419 S420 F421 Y435 T436 E437 E438 R442 L443 G444	Y183-Y440 HydrophobicContact CD2-CD2 4.46Å; Y183-Y440 AromaticContact CD2-CE2 3.86Å; Y183-Y440 HydrophobicContact CD2-CE2 3.86Å; Y183-Y440 HydrophobicContact CE2-CE2 4.08Å; P252-Y440 HydrophobicContact CB-CD1 3.88Å; P252-Y440 HydrophobicContact CB-CD2 4.22Å; P252-Y440 HydrophobicContact CB-CE1 3.59Å; P252-Y440 HydrophobicContact CB-CE2 3.94Å; P252-Y440 HydrophobicContact CB-CG 4.18Å; P252-Y440 HydrophobicContact CG-CE1 3.97Å; P252-Y440 HydrophobicContact CG-CE2 3.85Å; P252-Y440 WeakPolarHBondContact CG-OH 3.09Å; Y255-Y440 VanDerWaalsContact CB-CB 3.47Å; Y255-Y440 HydrophobicContact CD2-CD2 4.4Å; Y255-Y440 HydrophobicContact CG-CD2 4.45Å; V256-Y440 WeakPolarHBondContact CA-O 3.25Å; V256-Y440 WeakPolarHBondContact CG2-O 3.18Å; V419-Y440 HydrophobicContact CG1-CD1 4.31Å; V419-Y440 HydrophobicContact CG1-CE1 4.4Å; V419-Y440 HydrophobicContact CG2-CD1 3.74Å; V419-Y440 HydrophobicContact CG2-CE1 3.8Å; S420-Y440 VanDerWaalsContact O-CE1 3.24Å; S420-Y440 WeakPolarHBondContact O-CE1 3.38Å; S420-Y440 PolarHBondContact O-OH 2.84Å; S420-Y440 VanDerWaalsContact O-OH 3.06Å; F421-Y440 VanDerWaalsContact C-OH 3.24Å; F421-Y440 PolarHBondContact O-OH 3.05Å; F421-Y440 VanDerWaalsContact O-OH 3.09Å; Y435-Y440 WeakPolarHBondContact CB-OH 3.21Å; Y435-Y440 AromaticContact CD1-CD1 3.4Å; Y435-Y440 HydrophobicContact CD1-CD1 3.4Å; Y435-Y440 VanDerWaalsContact CD1-CD1 3.4Å; Y435-Y440 AromaticContact CD1-CE1 3.49Å; Y435-Y440 HydrophobicContact CD1-CE1 3.49Å; Y435-Y440 VanDerWaalsContact CD1-CE1 3.49Å; Y435-Y440 HydrophobicContact CD1-CG 4.14Å; Y435-Y440 HydrophobicContact CD2-CD1 4.32Å; Y435-Y440 AromaticContact CD2-CE1 3.58Å; Y435-Y440 HydrophobicContact CD2-CE1 3.58Å; Y435-Y440 AromaticContact CE1-CD1 3.92Å; Y435-Y440 HydrophobicContact CE1-CD1 3.92Å; Y435-Y440 HydrophobicContact CE1-CE1 4.14Å; Y435-Y440 HydrophobicContact CE2-CE1 4.22Å; Y435-Y440 AromaticContact CG-CD1 3.64Å; Y435-Y440 HydrophobicContact CG-CD1 3.64Å; Y435-Y440 AromaticContact CG-CE1 3.17Å; Y435-Y440 HydrophobicContact CG-CE1 3.17Å; Y435-Y440 HydrophobicContact CG-CG 4.47Å; Y435-Y440 AromaticContact CG-CZ 3.7Å; T436-Y440 VanDerWaalsContact O-CD2 3.29Å; T436-Y440 WeakPolarHBondContact O-CD2 3.38Å; T436-Y440 PolarHBondContact O-N 2.79Å; T436-Y440 VanDerWaalsContact O-N 3.08Å; E437-Y440 PolarHBondContact O-N 3.29Å; E438-Y440 VanDerWaalsContact C-N 3.32Å; E438-Y440 PolarHBondContact O-N 2.9Å; Y440-R442 VanDerWaalsContact C-N 3.27Å; Y440-R442 PolarHBondContact O-N 2.98Å; Y440-L443 WeakPolarHBondContact O-CB 3.33Å; Y440-L443 PolarHBondContact O-N 2.8Å; Y440-G444 PolarHBondContact O-N 3.26Å
441	A	98.3	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-38.1	176.3	0	0	0	0	0	112.4	Y255 G259 E437 E438 L443 G444 R445 I481	Y255-A441 WeakPolarHBondContact O-CA 3.04Å; G259-A441 WeakPolarHBondContact CA-O 3.35Å; E437-A441 PolarHBondContact O-N 2.96Å; E437-A441 VanDerWaalsContact O-N 3.11Å; E438-A441 PolarHBondContact O-N 3.46Å; A441-L443 VanDerWaalsContact C-N 3.31Å; A441-L443 PolarHBondContact O-N 3.02Å; A441-G444 CarbonylContact O-C 3.5Å; A441-G444 VanDerWaalsContact O-CA 3.31Å; A441-G444 WeakPolarHBondContact O-CA 3.22Å; A441-G444 PolarHBondContact O-N 3.45Å; A441-R445 WeakPolarHBondContact O-CG 3.45Å; A441-R445 PolarHBondContact O-N 2.99Å; A441-I481 HydrophobicContact CB-CB 4.34Å; A441-I481 HydrophobicContact CB-CD1 3.57Å; A441-I481 HydrophobicContact CB-CG1 3.75Å
442	R	97.6	Very high	97	Very high	35 Å²	35	20.3 Å²	20.3	13%	0.132	10%	0.102	C	C	.	.	H	α-helix	trans	-58.2	-40	175.5	-169.5	178.9	61.1	164	6.2	112.8	E381 Y424 E438 K439 Y440 G444 R445 N446 P476	E381-R442 IonicContact OE1-CZ 3.78Å; E381-R442 IonicContact OE1-NH1 2.73Å; E381-R442 PolarHBondContact OE1-NH1 3.13Å; E381-R442 IonicContact OE1-NH2 2.97Å; E381-R442 PolarHBondContact OE1-NH2 3.44Å; Y424-R442 PolarHBondContact OH-NH2 3.05Å; E438-R442 WeakPolarHBondContact O-CB 3.48Å; E438-R442 PolarHBondContact O-N 2.93Å; K439-R442 PolarHBondContact O-N 2.92Å; Y440-R442 VanDerWaalsContact C-N 3.27Å; Y440-R442 PolarHBondContact O-N 2.98Å; R442-G444 VanDerWaalsContact C-N 3.26Å; R442-G444 PolarHBondContact O-N 3.07Å; R442-R445 PolarHBondContact O-N 3.1Å; R442-R445 VanDerWaalsContact O-N 3.12Å; R442-N446 PolarHBondContact O-N 2.84Å; R442-N446 PolarHBondContact O-ND2 3.46Å; R442-P476 HydrophobicContact CG-CB 4.36Å; R442-P476 HydrophobicContact CG-CG 4.03Å
443	L	97.8	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-39.9	172.4	-179.2	58.4	0	0	0	111.3	V256 A380 V419 K439 Y440 A441 N446 L447	V256-L443 HydrophobicContact CG1-CG 4.41Å; V256-L443 HydrophobicContact CG2-CB 4.39Å; V256-L443 HydrophobicContact CG2-CD2 4.17Å; A380-L443 HydrophobicContact CB-CD1 4.13Å; V419-L443 HydrophobicContact CB-CD2 3.9Å; V419-L443 HydrophobicContact CG2-CD2 3.64Å; K439-L443 PolarHBondContact O-N 3.15Å; Y440-L443 WeakPolarHBondContact O-CB 3.33Å; Y440-L443 PolarHBondContact O-N 2.8Å; A441-L443 VanDerWaalsContact C-N 3.31Å; A441-L443 PolarHBondContact O-N 3.02Å; L443-N446 PolarHBondContact O-N 3.24Å; L443-L447 PolarHBondContact O-N 2.87Å
444	G	98.5	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-41.9	172.2	0	0	0	0	0	113.5	V256 F260 Y440 A441 R442 L447 A448	V256-G444 VanDerWaalsContact O-CA 3.25Å; V256-G444 WeakPolarHBondContact O-CA 3.29Å; F260-G444 WeakPolarHBondContact CD2-O 3.37Å; Y440-G444 PolarHBondContact O-N 3.26Å; A441-G444 CarbonylContact O-C 3.5Å; A441-G444 VanDerWaalsContact O-CA 3.31Å; A441-G444 WeakPolarHBondContact O-CA 3.22Å; A441-G444 PolarHBondContact O-N 3.45Å; R442-G444 VanDerWaalsContact C-N 3.26Å; R442-G444 PolarHBondContact O-N 3.07Å; G444-L447 WeakPolarHBondContact O-CB 3.45Å; G444-L447 PolarHBondContact O-N 3.43Å; G444-A448 PolarHBondContact O-N 3.21Å
445	R	98.2	Very high	97.3	Very high	1 Å²	1	15 Å²	15	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-40.3	174.8	-57.6	-162.9	-71.2	-81.2	-2.5	111.7	G259 F263 E438 A441 R442 L447 A448 R449 P476 I479	G259-R445 WeakPolarHBondContact O-CG 3.3Å; F263-R445 HydrophobicContact CB-CB 4.31Å; F263-R445 HydrophobicContact CB-CG 4.03Å; F263-R445 HydrophobicContact CD2-CB 4.08Å; F263-R445 HydrophobicContact CD2-CG 4.34Å; F263-R445 HydrophobicContact CG-CB 4.44Å; E438-R445 IonicContact OE1-CZ 3.96Å; E438-R445 IonicContact OE1-NH1 2.92Å; E438-R445 PolarHBondContact OE1-NH1 3.32Å; E438-R445 IonicContact OE1-NH2 2.76Å; E438-R445 PolarHBondContact OE1-NH2 2.95Å; A441-R445 WeakPolarHBondContact O-CG 3.45Å; A441-R445 PolarHBondContact O-N 2.99Å; R442-R445 PolarHBondContact O-N 3.1Å; R442-R445 VanDerWaalsContact O-N 3.12Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.37Å; R445-A448 WeakPolarHBondContact O-CB 3.46Å; R445-A448 PolarHBondContact O-N 3.46Å; R445-R449 WeakPolarHBondContact O-CG 3.39Å; R445-R449 PolarHBondContact O-N 3.27Å; R445-P476 HydrophobicContact CB-CB 4.45Å; R445-P476 PolarHBondContact NE-O 2.81Å; R445-P476 PolarHBondContact NH2-O 3.17Å; R445-I479 PolarHBondContact NE-O 3.25Å; R445-I479 PolarHBondContact NH1-O 3.46Å; R445-I479 VanDerWaalsContact NH1-O 3.09Å
446	N	98	Very high	97.2	Very high	7 Å²	7	15.2 Å²	15.2	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-67.4	-33	176.4	-67.8	-21	0	0	0	112.2	L376 F379 A380 R442 L443 A448 R449 T450	L376-N446 HydrophobicContact CD1-CB 4.38Å; F379-N446 PolarHBondContact O-ND2 2.88Å; A380-N446 HydrophobicContact CB-CB 3.85Å; R442-N446 PolarHBondContact O-N 2.84Å; R442-N446 PolarHBondContact O-ND2 3.46Å; L443-N446 PolarHBondContact O-N 3.24Å; N446-A448 VanDerWaalsContact C-N 3.35Å; N446-A448 PolarHBondContact O-N 3.2Å; N446-R449 PolarHBondContact O-N 3.11Å; N446-T450 WeakPolarHBondContact O-CB 3.43Å; N446-T450 PolarHBondContact O-N 3.05Å; N446-T450 PolarHBondContact O-OG1 2.71Å
447	L	98.2	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.5	-45	170.7	-179.1	66.1	0	0	0	111.3	F260 I342 I344 M355 F372 L376 L417 L443 G444 R445 T450 F451	F260-L447 HydrophobicContact CD2-CB 4.18Å; F260-L447 HydrophobicContact CD2-CD2 3.95Å; F260-L447 HydrophobicContact CD2-CG 4.07Å; F260-L447 HydrophobicContact CE2-CD2 4.25Å; F260-L447 HydrophobicContact CE2-CG 4.17Å; I342-L447 HydrophobicContact CD1-CD1 4.09Å; I344-L447 HydrophobicContact CD1-CD2 4.48Å; M355-L447 HydrophobicContact CE-CD1 4.11Å; F372-L447 HydrophobicContact CE1-CD1 3.61Å; F372-L447 HydrophobicContact CZ-CD1 3.77Å; L376-L447 HydrophobicContact CD2-CD1 4.49Å; L417-L447 HydrophobicContact CD2-CD1 4.36Å; L417-L447 HydrophobicContact CD2-CD2 3.98Å; L443-L447 PolarHBondContact O-N 2.87Å; G444-L447 WeakPolarHBondContact O-CB 3.45Å; G444-L447 PolarHBondContact O-N 3.43Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.37Å; L447-T450 WeakPolarHBondContact O-CB 3.31Å; L447-T450 PolarHBondContact O-N 3.25Å; L447-F451 HydrophobicContact CD1-CE2 4.34Å; L447-F451 HydrophobicContact CG-CE2 4.15Å; L447-F451 WeakPolarHBondContact O-CD2 3.48Å; L447-F451 PolarHBondContact O-N 3.2Å
448	A	97.9	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-44.7	175.6	0	0	0	0	0	112.5	F260 F263 M264 L274 G444 R445 N446 T450 F451 Y452	F260-A448 HydrophobicContact CD2-CB 3.81Å; F260-A448 HydrophobicContact CE2-CB 3.82Å; F263-A448 HydrophobicContact CB-CB 4.33Å; F263-A448 HydrophobicContact CD1-CB 3.36Å; F263-A448 HydrophobicContact CE1-CB 3.88Å; F263-A448 HydrophobicContact CG-CB 4.02Å; M264-A448 HydrophobicContact CG-CB 4.26Å; M264-A448 HydrophobicContact SD-CB 3.72Å; L274-A448 WeakPolarHBondContact CD1-O 3.5Å; G444-A448 PolarHBondContact O-N 3.21Å; R445-A448 WeakPolarHBondContact O-CB 3.46Å; R445-A448 PolarHBondContact O-N 3.46Å; N446-A448 VanDerWaalsContact C-N 3.35Å; N446-A448 PolarHBondContact O-N 3.2Å; A448-T450 VanDerWaalsContact C-N 3.27Å; A448-T450 PolarHBondContact O-N 3.35Å; A448-F451 WeakPolarHBondContact O-CB 3.45Å; A448-F451 PolarHBondContact O-N 3Å; A448-F451 VanDerWaalsContact O-N 3.17Å; A448-Y452 PolarHBondContact O-N 3.5Å
449	R	96.2	Very high	96.5	Very high	17 Å²	17	19 Å²	19	6%	0.064	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-35	175.5	-70	173.7	172.4	-163.3	-10	112.7	F263 R445 N446 F451 Y452 E453 S472 S475	F263-R449 HydrophobicContact CE1-CG 4.45Å; F263-R449 HydrophobicContact CE2-CG 4.2Å; F263-R449 HydrophobicContact CZ-CG 3.86Å; R445-R449 WeakPolarHBondContact O-CG 3.39Å; R445-R449 PolarHBondContact O-N 3.27Å; N446-R449 PolarHBondContact O-N 3.11Å; R449-F451 VanDerWaalsContact C-N 3.31Å; R449-F451 PolarHBondContact O-N 2.98Å; R449-Y452 WeakPolarHBondContact O-CB 3.18Å; R449-Y452 PolarHBondContact O-N 3.38Å; R449-Y452 VanDerWaalsContact O-N 3.08Å; R449-E453 PolarHBondContact O-N 3.33Å; R449-E453 VanDerWaalsContact O-N 3.09Å; R449-S472 PolarHBondContact NH1-O 2.86Å; R449-S472 PolarHBondContact NH2-O 2.68Å; R449-S472 VanDerWaalsContact NH2-O 3.08Å; R449-S475 PolarHBondContact NH2-O 3.38Å
450	T	97.8	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-37.2	176.6	-56.8	0	0	0	0	111.5	F372 L375 L376 N446 L447 A448 Y452 E453 Y454	F372-T450 HydrophobicContact CD1-CG2 4.15Å; F372-T450 HydrophobicContact CD2-CG2 3.95Å; F372-T450 HydrophobicContact CE1-CG2 3.82Å; F372-T450 HydrophobicContact CE2-CG2 3.61Å; F372-T450 HydrophobicContact CG-CG2 4.21Å; F372-T450 HydrophobicContact CZ-CG2 3.56Å; L375-T450 HydrophobicContact CB-CG2 3.76Å; L376-T450 HydrophobicContact CB-CG2 3.94Å; L376-T450 WeakPolarHBondContact CD1-OG1 3.47Å; N446-T450 WeakPolarHBondContact O-CB 3.43Å; N446-T450 PolarHBondContact O-N 3.05Å; N446-T450 PolarHBondContact O-OG1 2.71Å; L447-T450 WeakPolarHBondContact O-CB 3.31Å; L447-T450 PolarHBondContact O-N 3.25Å; A448-T450 VanDerWaalsContact C-N 3.27Å; A448-T450 PolarHBondContact O-N 3.35Å; T450-Y452 VanDerWaalsContact C-N 3.3Å; T450-Y452 PolarHBondContact O-N 2.97Å; T450-E453 PolarHBondContact O-N 3.35Å; T450-Y454 VanDerWaalsContact O-CB 3.3Å; T450-Y454 WeakPolarHBondContact O-CB 3.45Å; T450-Y454 PolarHBondContact O-N 3.26Å
451	F	98	Very high	95.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-40.1	171.6	-74.6	-64.8	0	0	0	112.1	V240 F260 L274 F280 F340 I342 F372 L447 A448 R449 Y454 Y455	V240-F451 HydrophobicContact CB-CZ 4.48Å; V240-F451 HydrophobicContact CG1-CE1 3.78Å; V240-F451 HydrophobicContact CG1-CE2 3.81Å; V240-F451 HydrophobicContact CG1-CZ 3.34Å; V240-F451 HydrophobicContact CG2-CD1 4.12Å; V240-F451 HydrophobicContact CG2-CE1 3.88Å; V240-F451 HydrophobicContact CG2-CZ 4.31Å; F260-F451 AromaticContact CE2-CD2 3.97Å; F260-F451 HydrophobicContact CE2-CD2 3.97Å; F260-F451 AromaticContact CE2-CE2 3.87Å; F260-F451 HydrophobicContact CE2-CE2 3.87Å; F260-F451 HydrophobicContact CZ-CD2 4.34Å; F260-F451 HydrophobicContact CZ-CE2 4.09Å; L274-F451 HydrophobicContact CD2-CB 3.96Å; F280-F451 HydrophobicContact CE1-CD2 4.25Å; F340-F451 HydrophobicContact CB-CE1 4.24Å; F340-F451 HydrophobicContact CD1-CE1 4.16Å; F340-F451 HydrophobicContact CD2-CD1 4.4Å; F340-F451 AromaticContact CD2-CE1 3.76Å; F340-F451 HydrophobicContact CD2-CE1 3.76Å; F340-F451 HydrophobicContact CE1-CE1 4.45Å; F340-F451 HydrophobicContact CE2-CD1 4.41Å; F340-F451 HydrophobicContact CE2-CE1 4.09Å; F340-F451 AromaticContact CG-CE1 3.8Å; F340-F451 HydrophobicContact CG-CE1 3.8Å; F340-F451 HydrophobicContact CG-CZ 4.49Å; F340-F451 HydrophobicContact CZ-CE1 4.42Å; I342-F451 HydrophobicContact CD1-CE1 4.47Å; I342-F451 HydrophobicContact CD1-CE2 4.37Å; I342-F451 HydrophobicContact CD1-CZ 3.64Å; F372-F451 HydrophobicContact CD2-CD1 4.36Å; F372-F451 HydrophobicContact CD2-CE1 4.32Å; F372-F451 AromaticContact CE2-CD1 3.38Å; F372-F451 HydrophobicContact CE2-CD1 3.38Å; F372-F451 HydrophobicContact CE2-CD2 4.38Å; F372-F451 AromaticContact CE2-CE1 3.44Å; F372-F451 HydrophobicContact CE2-CE1 3.44Å; F372-F451 VanDerWaalsContact CE2-CE1 3.44Å; F372-F451 HydrophobicContact CE2-CE2 4.45Å; F372-F451 AromaticContact CE2-CG 3.87Å; F372-F451 HydrophobicContact CE2-CG 3.87Å; F372-F451 HydrophobicContact CE2-CZ 4.01Å; F372-F451 AromaticContact CZ-CD1 3.9Å; F372-F451 HydrophobicContact CZ-CD1 3.9Å; F372-F451 HydrophobicContact CZ-CD2 4.16Å; F372-F451 AromaticContact CZ-CE1 3.7Å; F372-F451 HydrophobicContact CZ-CE1 3.7Å; F372-F451 AromaticContact CZ-CE2 3.99Å; F372-F451 HydrophobicContact CZ-CE2 3.99Å; F372-F451 HydrophobicContact CZ-CG 4.12Å; F372-F451 AromaticContact CZ-CZ 3.75Å; F372-F451 HydrophobicContact CZ-CZ 3.75Å; L447-F451 HydrophobicContact CD1-CE2 4.34Å; L447-F451 HydrophobicContact CG-CE2 4.15Å; L447-F451 WeakPolarHBondContact O-CD2 3.48Å; L447-F451 PolarHBondContact O-N 3.2Å; A448-F451 WeakPolarHBondContact O-CB 3.45Å; A448-F451 PolarHBondContact O-N 3Å; A448-F451 VanDerWaalsContact O-N 3.17Å; R449-F451 VanDerWaalsContact C-N 3.31Å; R449-F451 PolarHBondContact O-N 2.98Å; F451-Y454 PolarHBondContact O-N 3.13Å; F451-Y455 HydrophobicContact CB-CD2 4.28Å; F451-Y455 HydrophobicContact CB-CE2 4.34Å; F451-Y455 AromaticContact CD1-CE2 3.89Å; F451-Y455 HydrophobicContact CD1-CE2 3.89Å; F451-Y455 WeakPolarHBondContact O-CD2 3.37Å; F451-Y455 PolarHBondContact O-N 3.43Å
452	Y	97	Very high	94.3	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-50.8	177.2	173.6	-97.7	0	0	0	111.2	I270 Q273 A448 R449 T450 Y454 Y455 S456 L461 C462 M464	I270-Y452 HydrophobicContact CB-CD2 4.45Å; I270-Y452 HydrophobicContact CB-CG 4.42Å; I270-Y452 HydrophobicContact CD1-CD1 4.2Å; I270-Y452 HydrophobicContact CG1-CD1 4.21Å; I270-Y452 HydrophobicContact CG1-CD2 4.37Å; I270-Y452 HydrophobicContact CG1-CE1 4.41Å; I270-Y452 HydrophobicContact CG1-CG 4.21Å; I270-Y452 VanDerWaalsContact CG2-CB 3.44Å; I270-Y452 HydrophobicContact CG2-CD1 4.29Å; I270-Y452 HydrophobicContact CG2-CD2 3.87Å; I270-Y452 HydrophobicContact CG2-CG 3.59Å; Q273-Y452 HydrophobicContact CB-CE2 4.38Å; A448-Y452 PolarHBondContact O-N 3.5Å; R449-Y452 WeakPolarHBondContact O-CB 3.18Å; R449-Y452 PolarHBondContact O-N 3.38Å; R449-Y452 VanDerWaalsContact O-N 3.08Å; T450-Y452 VanDerWaalsContact C-N 3.3Å; T450-Y452 PolarHBondContact O-N 2.97Å; Y452-Y454 VanDerWaalsContact C-N 3.32Å; Y452-Y454 PolarHBondContact O-N 2.83Å; Y452-Y455 PolarHBondContact O-N 3.17Å; Y452-S456 VanDerWaalsContact O-CB 3.25Å; Y452-S456 WeakPolarHBondContact O-CB 3.42Å; Y452-S456 PolarHBondContact O-N 3.27Å; Y452-S456 PolarHBondContact O-OG 3.49Å; Y452-L461 HydrophobicContact CD2-CD1 3.73Å; Y452-L461 HydrophobicContact CE2-CB 4.35Å; Y452-L461 HydrophobicContact CE2-CD1 4.27Å; Y452-C462 PolarHBondContact OH-O 3.4Å; Y452-M464 WeakPolarHBondContact OH-CG 3.3Å; Y452-M464 PolarHBondContact OH-N 3.1Å
453	E	96.4	Very high	93	Very high	23 Å²	23	27.3 Å²	27.3	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-37.3	179.6	-66.2	-68.7	162.9	0	0	112.1	L375 F379 R449 T450 N457 R469	L375-E453 HydrophobicContact CD2-CB 4.41Å; F379-E453 HydrophobicContact CD2-CB 4.5Å; F379-E453 HydrophobicContact CD2-CG 4.2Å; F379-E453 HydrophobicContact CE1-CG 4.22Å; F379-E453 HydrophobicContact CE2-CB 3.78Å; F379-E453 HydrophobicContact CE2-CG 3.55Å; F379-E453 HydrophobicContact CZ-CB 4.19Å; F379-E453 HydrophobicContact CZ-CG 3.56Å; R449-E453 PolarHBondContact O-N 3.33Å; R449-E453 VanDerWaalsContact O-N 3.09Å; T450-E453 PolarHBondContact O-N 3.35Å; E453-N457 WeakPolarHBondContact O-CB 3.43Å; E453-N457 PolarHBondContact O-N 3.33Å; E453-N457 PolarHBondContact O-ND2 3.34Å; E453-R469 IonicContact OE1-NH2 3.39Å; E453-R469 PolarHBondContact OE1-NH2 2.92Å; E453-R469 IonicContact OE2-NH2 3.3Å; E453-R469 PolarHBondContact OE2-NH2 3.27Å
454	Y	96.7	Very high	91.2	Very high	16 Å²	16	29.4 Å²	29.4	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-55.5	173.6	-177	-87.4	0	0	0	111.3	F340 R371 F372 L375 T450 F451 Y452 S456 N457 E458	F340-Y454 HydrophobicContact CE2-CD1 4.03Å; F340-Y454 AromaticContact CE2-CE1 3.71Å; F340-Y454 HydrophobicContact CE2-CE1 3.71Å; F340-Y454 AromaticContact CZ-CD1 3.99Å; F340-Y454 HydrophobicContact CZ-CD1 3.99Å; F340-Y454 HydrophobicContact CZ-CD2 4.24Å; F340-Y454 AromaticContact CZ-CE1 3.66Å; F340-Y454 HydrophobicContact CZ-CE1 3.66Å; F340-Y454 AromaticContact CZ-CE2 3.91Å; F340-Y454 HydrophobicContact CZ-CE2 3.91Å; F340-Y454 HydrophobicContact CZ-CG 4.29Å; F340-Y454 AromaticContact CZ-CZ 3.63Å; R371-Y454 HydrophobicContact CB-CD2 4.44Å; R371-Y454 HydrophobicContact CB-CE2 4.12Å; F372-Y454 HydrophobicContact CB-CD2 4.31Å; F372-Y454 AromaticContact CD2-CD2 3.96Å; F372-Y454 HydrophobicContact CD2-CD2 3.96Å; F372-Y454 HydrophobicContact CD2-CG 4.11Å; L375-Y454 HydrophobicContact CD1-CD2 4.13Å; T450-Y454 VanDerWaalsContact O-CB 3.3Å; T450-Y454 WeakPolarHBondContact O-CB 3.45Å; T450-Y454 PolarHBondContact O-N 3.26Å; F451-Y454 PolarHBondContact O-N 3.13Å; Y452-Y454 VanDerWaalsContact C-N 3.32Å; Y452-Y454 PolarHBondContact O-N 2.83Å; Y454-S456 PolarHBondContact O-N 3.07Å; Y454-N457 PolarHBondContact O-N 2.88Å; Y454-N457 VanDerWaalsContact O-N 3.15Å; Y454-E458 HydrophobicContact CD1-CG 4.3Å; Y454-E458 HydrophobicContact CE1-CG 3.95Å; Y454-E458 WeakPolarHBondContact O-CG 3.27Å; Y454-E458 PolarHBondContact O-N 3.28Å
455	Y	96	Very high	89.1	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-74.2	-24.6	-176.5	-71.8	-67.9	0	0	0	113.7	V240 L278 N339 F451 Y452 G459 I460 L461	V240-Y455 HydrophobicContact CG2-CE2 4.29Å; L278-Y455 HydrophobicContact CD1-CD2 3.4Å; L278-Y455 VanDerWaalsContact CD1-CD2 3.4Å; L278-Y455 HydrophobicContact CD1-CE2 3.35Å; L278-Y455 HydrophobicContact CD1-CG 4.23Å; L278-Y455 HydrophobicContact CD2-CD1 4.27Å; L278-Y455 HydrophobicContact CD2-CD2 4.13Å; L278-Y455 HydrophobicContact CD2-CE1 3.95Å; L278-Y455 HydrophobicContact CD2-CE2 3.82Å; L278-Y455 HydrophobicContact CD2-CG 4.35Å; L278-Y455 HydrophobicContact CG-CD2 4.37Å; L278-Y455 HydrophobicContact CG-CE2 4.23Å; N339-Y455 WeakPolarHBondContact CB-OH 3.41Å; N339-Y455 PolarHBondContact OD1-OH 2.69Å; F451-Y455 HydrophobicContact CB-CD2 4.28Å; F451-Y455 HydrophobicContact CB-CE2 4.34Å; F451-Y455 AromaticContact CD1-CE2 3.89Å; F451-Y455 HydrophobicContact CD1-CE2 3.89Å; F451-Y455 WeakPolarHBondContact O-CD2 3.37Å; F451-Y455 PolarHBondContact O-N 3.43Å; Y452-Y455 PolarHBondContact O-N 3.17Å; Y455-G459 PolarHBondContact O-N 2.89Å; Y455-I460 HydrophobicContact CD1-CB 4.48Å; Y455-I460 HydrophobicContact CD1-CD1 3.7Å; Y455-I460 HydrophobicContact CE1-CD1 4.28Å; Y455-I460 PolarHBondContact O-N 3.12Å; Y455-L461 PolarHBondContact O-N 2.84Å
456	S	94.5	Very high	86.9	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-35.7	167.6	-77.1	0	0	0	0	112.1	Y452 Y454 G459 K463	Y452-S456 VanDerWaalsContact O-CB 3.25Å; Y452-S456 WeakPolarHBondContact O-CB 3.42Å; Y452-S456 PolarHBondContact O-N 3.27Å; Y452-S456 PolarHBondContact O-OG 3.49Å; Y454-S456 PolarHBondContact O-N 3.07Å; S456-G459 PolarHBondContact O-N 2.77Å; S456-K463 WeakPolarHBondContact O-CE 3.2Å
457	N	92.8	Very high	84.4	Confident	83 Å²	83	41.8 Å²	41.8	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-72.8	-29.9	175	-73.8	-20.4	0	0	0	112.7	E453 Y454 G459 K463	E453-N457 WeakPolarHBondContact O-CB 3.43Å; E453-N457 PolarHBondContact O-N 3.33Å; E453-N457 PolarHBondContact O-ND2 3.34Å; Y454-N457 PolarHBondContact O-N 2.88Å; Y454-N457 VanDerWaalsContact O-N 3.15Å; N457-G459 PolarHBondContact O-N 2.89Å; N457-K463 WeakPolarHBondContact OD1-CE 3.46Å; N457-K463 PolarHBondContact OD1-NZ 3.5Å
458	E	91.1	Very high	82	Confident	83 Å²	83	43.7 Å²	43.7	39%	0.388	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	1.7	171	-61.3	-65.1	134.1	0	0	113.2	R371 Y454 I460	R371-E458 IonicContact CZ-OE1 3.25Å; R371-E458 IonicContact NH1-OE1 3.62Å; R371-E458 PolarHBondContact NH1-OE1 3.13Å; Y454-E458 HydrophobicContact CD1-CG 4.3Å; Y454-E458 HydrophobicContact CE1-CG 3.95Å; Y454-E458 WeakPolarHBondContact O-CG 3.27Å; Y454-E458 PolarHBondContact O-N 3.28Å; E458-I460 VanDerWaalsContact C-N 3.28Å; E458-I460 HydrophobicContact CB-CD1 4.03Å; E458-I460 HydrophobicContact CB-CG1 4.47Å; E458-I460 PolarHBondContact O-N 3.47Å
459	G	90.1	Very high	79.5	Confident	67 Å²	67	47.5 Å²	47.5	69%	0.691	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	12.8	177.6	0	0	0	0	0	115.3	Y455 S456 N457	Y455-G459 PolarHBondContact O-N 2.89Å; S456-G459 PolarHBondContact O-N 2.77Å; N457-G459 PolarHBondContact O-N 2.89Å
460	I	86.5	Confident	76.6	Confident	40 Å²	40	49.2 Å²	49.2	21%	0.205	31%	0.306	C	S	.	.	S	Bend	trans	-85.2	-32.2	-179	-68.1	159.9	0	0	0	111.5	R238 R277 Y455 E458	R238-I460 VanDerWaalsContact CZ-CD1 3.47Å; R277-I460 HydrophobicContact CB-CG2 4.25Å; R277-I460 HydrophobicContact CG-CG2 4.47Å; Y455-I460 HydrophobicContact CD1-CB 4.48Å; Y455-I460 HydrophobicContact CD1-CD1 3.7Å; Y455-I460 HydrophobicContact CE1-CD1 4.28Å; Y455-I460 PolarHBondContact O-N 3.12Å; E458-I460 VanDerWaalsContact C-N 3.28Å; E458-I460 HydrophobicContact CB-CD1 4.03Å; E458-I460 HydrophobicContact CB-CG1 4.47Å; E458-I460 PolarHBondContact O-N 3.47Å
461	L	84.3	Confident	73.8	Confident	11 Å²	11	56 Å²	56	6%	0.058	34%	0.342	C	S	.	.	S	Bend	trans	-112.1	144.4	177.8	-60.4	177.7	0	0	0	110.9	Q273 L274 R277 Y452 Y455 K463	Q273-L461 WeakPolarHBondContact O-CD2 3.11Å; L274-L461 HydrophobicContact CD2-CD1 3.85Å; R277-L461 HydrophobicContact CB-CD2 3.93Å; R277-L461 HydrophobicContact CG-CD2 3.57Å; Y452-L461 HydrophobicContact CD2-CD1 3.73Å; Y452-L461 HydrophobicContact CE2-CB 4.35Å; Y452-L461 HydrophobicContact CE2-CD1 4.27Å; Y455-L461 PolarHBondContact O-N 2.84Å; L461-K463 PolarHBondContact O-N 3.48Å
462	C	77.5	Confident	71.1	Confident	102 Å²	102	56.7 Å²	56.7	69%	0.689	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-68.3	128.8	175.7	-164.3	0	0	0	0	109.8	Q273 Y452 M464	Q273-C462 PolarHBondContact OE1-O 3.14Å; Y452-C462 PolarHBondContact OH-O 3.4Å; C462-M464 PolarHBondContact O-N 2.76Å
463	K	68.8	Low	68.4	Low	116 Å²	116	61.4 Å²	61.4	50%	0.504	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-70.4	119.1	175	-76.4	-176.1	175.4	-173.5	0	109.1	S456 N457 L461	S456-K463 WeakPolarHBondContact O-CE 3.2Å; N457-K463 WeakPolarHBondContact OD1-CE 3.46Å; N457-K463 PolarHBondContact OD1-NZ 3.5Å; L461-K463 PolarHBondContact O-N 3.48Å
464	M	61.3	Low	65.7	Low	43 Å²	43	67.9 Å²	67.9	21%	0.212	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63.2	142.6	172.6	-74.7	-177.1	96.9	0	0	110.7	S269 I270 Q273 Y452 C462	S269-M464 WeakPolarHBondContact OG-CE 3.43Å; I270-M464 HydrophobicContact CG1-SD 4.31Å; Q273-M464 PolarHBondContact NE2-SD 3.31Å; Q273-M464 VanDerWaalsContact NE2-SD 3.44Å; Y452-M464 WeakPolarHBondContact OH-CG 3.3Å; Y452-M464 PolarHBondContact OH-N 3.1Å; C462-M464 PolarHBondContact O-N 2.76Å
465	S	54.4	Low	63.3	Low	65 Å²	65	69.2 Å²	69.2	46%	0.455	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-59.8	148.8	175.3	62.1	0	0	0	0	110.8	S467 S468 R469	S465-S467 PolarHBondContact O-N 2.84Å; S465-S467 VanDerWaalsContact O-N 3.08Å; S465-S467 PolarHBondContact OG-OG 3.22Å; S465-S468 PolarHBondContact N-OG 3.44Å; S465-S468 PolarHBondContact O-N 3.38Å; S465-S468 PolarHBondContact O-OG 3.06Å; S465-S468 PolarHBondContact OG-OG 3.34Å; S465-R469 PolarHBondContact O-N 3.35Å; S465-R469 VanDerWaalsContact O-N 3.14Å
466	S	52	Low	60.9	Low	103 Å²	103	69.6 Å²	69.6	72%	0.72	42%	0.415	S	S	*	.	H	α-helix	trans	-53.1	-31.9	176	47.2	0	0	0	0	113.2	S468 R469 G470	S466-S468 VanDerWaalsContact C-N 3.32Å; S466-S468 PolarHBondContact O-N 3.47Å; S466-R469 WeakPolarHBondContact O-CB 3.33Å; S466-R469 PolarHBondContact O-N 3.29Å; S466-G470 PolarHBondContact O-N 2.89Å
467	S	44.3	Very low	58.8	Low	100 Å²	100	74.2 Å²	74.2	70%	0.699	44%	0.44	S	S	*	.	H	α-helix	trans	-64.5	-29.8	175.1	54.6	0	0	0	0	114.2	S465	S465-S467 PolarHBondContact O-N 2.84Å; S465-S467 VanDerWaalsContact O-N 3.08Å; S465-S467 PolarHBondContact OG-OG 3.22Å
468	S	48.6	Very low	56.6	Low	41 Å²	41	77.2 Å²	77.2	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-93.2	-11.9	176	49.1	0	0	0	0	113.1	S465 S466	S465-S468 PolarHBondContact N-OG 3.44Å; S465-S468 PolarHBondContact O-N 3.38Å; S465-S468 PolarHBondContact O-OG 3.06Å; S465-S468 PolarHBondContact OG-OG 3.34Å; S466-S468 VanDerWaalsContact C-N 3.32Å; S466-S468 PolarHBondContact O-N 3.47Å
469	R	44.4	Very low	54.7	Low	79 Å²	79	74.9 Å²	74.9	30%	0.298	45%	0.446	S	S	.	.	H	α-helix	trans	-73.5	-27.2	168.3	-71.2	177.9	160	-179.7	-12.4	112.7	E453 S465 S466 D471 S472 I473	E453-R469 IonicContact OE1-NH2 3.39Å; E453-R469 PolarHBondContact OE1-NH2 2.92Å; E453-R469 IonicContact OE2-NH2 3.3Å; E453-R469 PolarHBondContact OE2-NH2 3.27Å; S465-R469 PolarHBondContact O-N 3.35Å; S465-R469 VanDerWaalsContact O-N 3.14Å; S466-R469 WeakPolarHBondContact O-CB 3.33Å; S466-R469 PolarHBondContact O-N 3.29Å; R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 3.32Å; R469-S472 PolarHBondContact O-N 3.49Å; R469-S472 PolarHBondContact O-OG 3.22Å; R469-S472 VanDerWaalsContact O-OG 3.06Å; R469-I473 HydrophobicContact CB-CD1 4.03Å; R469-I473 HydrophobicContact CB-CG1 4.26Å; R469-I473 PolarHBondContact O-N 3.33Å; R469-I473 VanDerWaalsContact O-N 3.16Å
470	G	36.3	Very low	52.9	Low	54 Å²	54	75.7 Å²	75.7	56%	0.557	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.4	-173.9	0	0	0	0	0	115.1	S466 S472	S466-G470 PolarHBondContact O-N 2.89Å; G470-S472 PolarHBondContact O-N 2.82Å
471	D	38.8	Very low	51.2	Low	142 Å²	142	74 Å²	74	76%	0.759	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.6	178.7	-74.1	-21.3	0	0	0	113.7	R469 S475	R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 3.32Å; D471-S475 WeakPolarHBondContact O-CB 3.37Å; D471-S475 PolarHBondContact O-OG 3.27Å; D471-S475 VanDerWaalsContact O-OG 3.09Å
472	S	42.2	Very low	49.9	Very low	14 Å²	14	74.5 Å²	74.5	10%	0.098	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-22.2	-166.4	55.3	0	0	0	0	117	R449 R469 G470 H474 S475	R449-S472 PolarHBondContact NH1-O 2.86Å; R449-S472 PolarHBondContact NH2-O 2.68Å; R449-S472 VanDerWaalsContact NH2-O 3.08Å; R469-S472 PolarHBondContact O-N 3.49Å; R469-S472 PolarHBondContact O-OG 3.22Å; R469-S472 VanDerWaalsContact O-OG 3.06Å; G470-S472 PolarHBondContact O-N 2.82Å; S472-H474 PolarHBondContact O-N 3.3Å; S472-S475 PolarHBondContact O-N 3.16Å
473	I	39.5	Very low	48.6	Very low	102 Å²	102	75.6 Å²	75.6	52%	0.523	43%	0.434	S	S	.	.	S	Bend	trans	-57.9	-37.9	-178.1	-67.2	170	0	0	0	111.6	R469	R469-I473 HydrophobicContact CB-CD1 4.03Å; R469-I473 HydrophobicContact CB-CG1 4.26Å; R469-I473 PolarHBondContact O-N 3.33Å; R469-I473 VanDerWaalsContact O-N 3.16Å
474	H	39.1	Very low	47.5	Very low	159 Å²	159	74.1 Å²	74.1	74%	0.736	43%	0.426	S	S	*	.	S	Bend	trans	-112.8	3.4	176.5	-69.1	-62.4	0	0	0	114.8	S472 P476	S472-H474 PolarHBondContact O-N 3.3Å; H474-P476 WeakPolarHBondContact O-CD 3.39Å
475	S	46	Very low	46.2	Very low	44 Å²	44	75.9 Å²	75.9	31%	0.308	44%	0.442	S	S	.	.			trans	-111.8	46.9	-175.2	-36	0	0	0	0	113.9	R449 D471 S472 D477	R449-S475 PolarHBondContact NH2-O 3.38Å; D471-S475 WeakPolarHBondContact O-CB 3.37Å; D471-S475 PolarHBondContact O-OG 3.27Å; D471-S475 VanDerWaalsContact O-OG 3.09Å; S472-S475 PolarHBondContact O-N 3.16Å; S475-D477 PolarHBondContact O-N 2.69Å
476	P	47.6	Very low	45.3	Very low	10 Å²	10	76.5 Å²	76.5	7%	0.065	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-64.1	-8.5	160	27.9	-25.1	0	0	0	111.3	R442 R445 H474 N478 I479	R442-P476 HydrophobicContact CG-CB 4.36Å; R442-P476 HydrophobicContact CG-CG 4.03Å; R445-P476 HydrophobicContact CB-CB 4.45Å; R445-P476 PolarHBondContact NE-O 2.81Å; R445-P476 PolarHBondContact NH2-O 3.17Å; H474-P476 WeakPolarHBondContact O-CD 3.39Å; P476-N478 VanDerWaalsContact C-N 3.28Å; P476-N478 PolarHBondContact O-N 3.13Å; P476-I479 PolarHBondContact O-N 2.99Å
477	D	49.6	Very low	44.2	Very low	100 Å²	100	79.2 Å²	79.2	54%	0.535	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-69.6	-19.1	-173.3	-62.3	-13.7	0	0	0	114	S475 I479	S475-D477 PolarHBondContact O-N 2.69Å; D477-I479 PolarHBondContact O-N 2.9Å
478	N	47	Very low	43.4	Very low	147 Å²	147	80.4 Å²	80.4	79%	0.786	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-76.1	-8.8	179.5	-74.4	-7.9	0	0	0	113.9	P476	P476-N478 VanDerWaalsContact C-N 3.28Å; P476-N478 PolarHBondContact O-N 3.13Å
479	I	49.6	Very low	42.3	Very low	34 Å²	34	86 Å²	86	17%	0.174	47%	0.467	C	S	.	.	S	Bend	trans	-107.4	86.5	172.3	-57.7	168.7	0	0	0	106.6	D262 F263 H268 R445 P476 D477	D262-I479 HydrophobicContact CB-CG2 4.27Å; F263-I479 HydrophobicContact CD2-CD1 3.69Å; F263-I479 HydrophobicContact CE2-CD1 4.2Å; H268-I479 HydrophobicContact CB-CD1 4.43Å; R445-I479 PolarHBondContact NE-O 3.25Å; R445-I479 PolarHBondContact NH1-O 3.46Å; R445-I479 VanDerWaalsContact NH1-O 3.09Å; P476-I479 PolarHBondContact O-N 2.99Å; D477-I479 PolarHBondContact O-N 2.9Å
480	S	53.2	Low	41.4	Very low	83 Å²	83	90 Å²	90	58%	0.58	49%	0.488	S	S	*	.			trans	-64	147.1	172.2	51.3	0	0	0	0	110.1	S482	S480-S482 PolarHBondContact O-N 3.49Å
481	I	51.2	Low	40.8	Very low	6 Å²	6	94.8 Å²	94.8	3%	0.031	50%	0.501	C	S	.	.			trans	-55.2	134.3	168	-137.8	176.4	0	0	0	107.8	Y255 Q258 E438 A441 I483	Y255-I481 HydrophobicContact CD1-CD1 3.81Å; Q258-I481 HydrophobicContact CG-CD1 4.48Å; Q258-I481 HydrophobicContact CG-CG1 4.2Å; E438-I481 WeakPolarHBondContact OE2-CB 3.34Å; E438-I481 PolarHBondContact OE2-N 3.42Å; A441-I481 HydrophobicContact CB-CB 4.34Å; A441-I481 HydrophobicContact CB-CD1 3.57Å; A441-I481 HydrophobicContact CB-CG1 3.75Å; I481-I483 HydrophobicContact CG2-CG1 3.83Å; I481-I483 WeakPolarHBondContact O-CG1 3.39Å; I481-I483 PolarHBondContact O-N 3.5Å
482	S	56.8	Low	40.2	Very low	20 Å²	20	96.8 Å²	96.8	14%	0.14	51%	0.511	C	S	.	.			trans	-68.1	99	175.3	57.3	0	0	0	0	109.5	Y193 Q258 S480 Y484	Y193-S482 WeakPolarHBondContact CE2-OG 3.37Å; Q258-S482 PolarHBondContact NE2-OG 3.4Å; S480-S482 PolarHBondContact O-N 3.49Å; S482-Y484 PolarHBondContact O-N 3.14Å; S482-Y484 WeakPolarHBondContact OG-CE2 3.44Å
483	I	49.1	Very low	39.5	Very low	126 Å²	126	101 Å²	101	65%	0.646	54%	0.54	S	S	*	.			trans	-76.5	89	-178.9	-54.1	177.1	0	0	0	107.9	I481	I481-I483 HydrophobicContact CG2-CG1 3.83Å; I481-I483 WeakPolarHBondContact O-CG1 3.39Å; I481-I483 PolarHBondContact O-N 3.5Å
484	Y	46.9	Very low	38.8	Very low	84 Å²	84	102.8 Å²	102.8	33%	0.329	55%	0.551	S	S	.	*			trans	-102.4	95.7	169.8	-57.9	-58.9	0	0	0	109	I196 S482 L486	I196-Y484 HydrophobicContact CB-CD2 4.49Å; I196-Y484 HydrophobicContact CB-CE2 4.1Å; I196-Y484 HydrophobicContact CD1-CD1 3.59Å; I196-Y484 HydrophobicContact CD1-CD2 3.34Å; I196-Y484 HydrophobicContact CD1-CE1 3.97Å; I196-Y484 HydrophobicContact CD1-CE2 3.67Å; I196-Y484 HydrophobicContact CD1-CG 3.28Å; I196-Y484 HydrophobicContact CG1-CE2 4.48Å; I196-Y484 HydrophobicContact CG2-CD2 4.42Å; I196-Y484 HydrophobicContact CG2-CE1 4.27Å; I196-Y484 HydrophobicContact CG2-CE2 3.62Å; S482-Y484 PolarHBondContact O-N 3.14Å; S482-Y484 WeakPolarHBondContact OG-CE2 3.44Å; Y484-L486 PolarHBondContact O-N 3.02Å
485	S	34.2	Very low	38.2	Very low	80 Å²	80	103 Å²	103	56%	0.559	56%	0.555	S	S	*	*			trans	-71.6	118.8	171.8	50.9	0	0	0	0	109.7	H487	S485-H487 PolarHBondContact O-N 3.14Å
486	L	35.2	Very low	37.1	Very low	78 Å²	78	107.4 Å²	107.4	41%	0.408	58%	0.576	S	S	.	*			trans	-59	104.9	163.5	-77.6	155.7	0	0	0	108.1	R189 Y484 N488	R189-L486 HydrophobicContact CB-CD1 4.16Å; Y484-L486 PolarHBondContact O-N 3.02Å; L486-N488 PolarHBondContact O-N 3.1Å
487	H	28.1	Very low	36.1	Very low	161 Å²	161	112.3 Å²	112.3	75%	0.745	61%	0.61	S	S	*	*			trans	-69	106.4	154.4	-81.7	73.9	0	0	0	105.5	S485 N489	S485-H487 PolarHBondContact O-N 3.14Å; H487-N489 PolarHBondContact O-N 3.24Å
488	N	28.9	Very low	34.8	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	62%	0.622	S	S	*	*			trans	-59.1	104	173.9	-81.7	-15.8	0	0	0	108.4	L486 H490	L486-N488 PolarHBondContact O-N 3.1Å; N488-H490 VanDerWaalsContact C-N 3.27Å; N488-H490 PolarHBondContact O-N 3.16Å
489	N	25.2	Very low	33.7	Very low	160 Å²	160	114.7 Å²	114.7	86%	0.856	62%	0.617	S	S	*	*			trans	-70.8	92.1	161.2	-85.8	-16.3	0	0	0	107.3	H487 N491	H487-N489 PolarHBondContact O-N 3.24Å; N489-N491 PolarHBondContact O-N 3.2Å
490	H	25	Very low	32.6	Very low	161 Å²	161	121.1 Å²	121.1	75%	0.745	65%	0.652	S	S	*	*			trans	-63.3	102.3	160.6	-82.4	-73.4	0	0	0	107.8	N488	N488-H490 VanDerWaalsContact C-N 3.27Å; N488-H490 PolarHBondContact O-N 3.16Å
491	N	24.1	Very low	31.3	Very low	155 Å²	155	124.9 Å²	124.9	83%	0.829	66%	0.66	S	S	*	*			trans	-166.3	77.3	153.3	-89.7	-25.9	0	0	0	108	N489	N489-N491 PolarHBondContact O-N 3.2Å
492	L	26.5	Very low	30.2	Very low	184 Å²	184	130.4 Å²	130.4	96%	0.963	70%	0.7	S	S	*	*			trans	-107.2	91.8	160.4	-119.6	83.3	0	0	0	107.2
493	S	26.6	Very low	28.6	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	73%	0.73	S	S	*	*			trans	-85.2	119.7	167.9	54.5	0	0	0	0	109.4
494	N	24.3	Very low	27.4	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	73%	0.733	S	S	*	*			trans	45.5	97.9	145.3	-59.9	-10.4	0	0	0	117.7
495	I	26.4	Very low	26.5	Very low	162 Å²	162	143.9 Å²	143.9	83%	0.831	76%	0.76	S	S	*	*			trans	-117.2	101	145.4	-63.6	177.9	0	0	0	106.2
496	N	22.9	Very low	26	Very low	137 Å²	137	146.5 Å²	146.5	73%	0.733	77%	0.767	S	S	*	*			trans	-68.3	126.1	165.1	-69.8	-21.1	0	0	0	108
497	S	27.3	Very low	25.7	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	79%	0.786	S	S	*	*			trans	-129.8	102.5	156.6	47.3	0	0	0	0	106.3
498	E	23.1	Very low	25.6	Very low	169 Å²	169	148.9 Å²	148.9	79%	0.79	79%	0.786	S	S	*	*			trans	-66.4	140	176.1	-69.3	172.2	155.7	0	0	110.7
499	D	23.7	Very low	25.4	Very low	128 Å²	128	148.8 Å²	148.8	68%	0.684	79%	0.79	S	S	*	*			trans	36.5	120.7	138.9	-57.9	-26.2	0	0	0	119.7
500	D	26.8	Very low	25.5	Very low	170 Å²	170	147.8 Å²	147.8	91%	0.909	78%	0.784	S	S	*	*			trans	-144.7	118.4	132	-112.2	-25.3	0	0	0	111.2
501	H	24.4	Very low	25.5	Very low	162 Å²	162	147.5 Å²	147.5	75%	0.75	79%	0.788	S	S	*	*			trans	-70.4	132.7	177.1	-73.1	-76.8	0	0	0	111
502	S	28.6	Very low	25.6	Very low	122 Å²	122	150.3 Å²	150.3	85%	0.853	79%	0.789	S	S	*	*			trans	-143.5	119.6	150.2	51	0	0	0	0	111.1
503	Q	23.4	Very low	25.6	Very low	168 Å²	168	145.3 Å²	145.3	79%	0.785	78%	0.782	S	S	*	*			trans	-82.6	146.7	-174.3	-74.4	177.5	-14.6	0	0	112.1
504	H	24.1	Very low	25.5	Very low	153 Å²	153	148 Å²	148	71%	0.708	79%	0.787	S	S	*	*			trans	39.4	114.5	141.6	-67.9	-67.2	0	0	0	120.2
505	H	28.4	Very low	25.6	Very low	192 Å²	192	149.3 Å²	149.3	89%	0.889	79%	0.793	S	S	*	*			trans	-133.6	107.2	135.3	-99.2	-53.9	0	0	0	110.8
506	N	23.8	Very low	25.7	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	79%	0.791	S	S	*	*			trans	-69	139.7	158.3	-84.7	-24.6	0	0	0	108.9
507	N	28.2	Very low	25.8	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	80%	0.797	S	S	*	*			trans	-165.1	106.9	143	-93.6	-23.4	0	0	0	112.3
508	N	25.8	Very low	25.7	Very low	140 Å²	140	152.1 Å²	152.1	75%	0.749	80%	0.795	S	S	*	*			trans	30.3	109.4	139.8	-67.2	-16.3	0	0	0	121.1
509	V	24.6	Very low	25.9	Very low	121 Å²	121	151.4 Å²	151.4	73%	0.733	80%	0.796	S	S	*	*				27.5	108.9	118.3	-170.4	0	0	0	0	116.5
510	N	28.2	Very low	26	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	80%	0.799	S	S	*	*			trans	-122.8	120.3	152.6	-88.2	-31.6	0	0	0	109.9
511	N	23.5	Very low	25.9	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	79%	0.79	S	S	*	*			trans	-57.5	124.6	173.4	-80.6	-33.4	0	0	0	111
512	Y	27.7	Very low	26.2	Very low	215 Å²	215	148.6 Å²	148.6	84%	0.843	79%	0.792	S	S	*	*			trans	-111.6	119.6	162.1	-78	-81	0	0	0	109.7
513	G	25.7	Very low	26.3	Very low	79 Å²	79	149.1 Å²	149.1	81%	0.814	79%	0.79	S	S	*	*			trans	-64	142.5	-177	0	0	0	0	0	113.1	N515	G513-N515 PolarHBondContact O-N 3.44Å
514	I	24.5	Very low	26.9	Very low	158 Å²	158	145.3 Å²	145.3	81%	0.81	78%	0.782	S	S	*	*			trans	-80.6	110.4	179.7	-62.2	165.6	0	0	0	108.2
515	N	27.2	Very low	27.6	Very low	168 Å²	168	141.7 Å²	141.7	90%	0.898	77%	0.774	S	S	*	*			trans	-87.2	116.7	162.8	-99.4	-12.4	0	0	0	109.3	G513	G513-N515 PolarHBondContact O-N 3.44Å
516	K	26.9	Very low	28.3	Very low	180 Å²	180	139.1 Å²	139.1	78%	0.783	76%	0.763	S	S	*	*			trans	-76.7	158.8	169.3	-72.8	178.2	175.1	176.4	0	109.8
517	E	26.5	Very low	28.9	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	76%	0.762	S	S	*	*			trans	106.2	80.5	161.2	-58.2	-175.6	-178.3	0	0	116.6
518	S	25.7	Very low	29.5	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	74%	0.739	S	S	*	*			trans	-142	85.4	136.9	51.8	0	0	0	0	108.6	V520	S518-V520 VanDerWaalsContact C-N 3.31Å; S518-V520 PolarHBondContact O-N 3.49Å
519	I	25.8	Very low	30	Very low	155 Å²	155	133.9 Å²	133.9	80%	0.795	73%	0.725	S	S	*	*			trans	-72	89.8	172.8	-62	171.3	0	0	0	107.1
520	V	27.4	Very low	31	Very low	126 Å²	126	134.3 Å²	134.3	76%	0.764	72%	0.717	S	S	*	*			trans	-84.5	110.2	162.6	-179.3	0	0	0	0	106.8	S518	S518-V520 VanDerWaalsContact C-N 3.31Å; S518-V520 PolarHBondContact O-N 3.49Å
521	Q	24.5	Very low	31.9	Very low	153 Å²	153	132.9 Å²	132.9	72%	0.715	71%	0.709	S	S	*	*			trans	-59.5	125.8	177.4	-77.5	-176.7	-17.2	0	0	110.7	T523	Q521-T523 PolarHBondContact O-N 3.21Å; Q521-T523 VanDerWaalsContact O-N 3.09Å
522	P	29.8	Very low	32.8	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	70%	0.697	S	S	*	*			trans	-81.7	91.4	178.6	30.8	-30.4	0	0	0	110.1	S524	P522-S524 VanDerWaalsContact C-N 3.28Å; P522-S524 PolarHBondContact O-N 2.96Å; P522-S524 VanDerWaalsContact O-N 3.12Å
523	T	31.2	Very low	33.9	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	68%	0.681	S	S	*	*			trans	-81.7	75.9	164.6	56.6	0	0	0	0	109.8	Q521	Q521-T523 PolarHBondContact O-N 3.21Å; Q521-T523 VanDerWaalsContact O-N 3.09Å
524	S	35.9	Very low	35.2	Very low	87 Å²	87	129.9 Å²	129.9	61%	0.608	67%	0.671	S	S	*	*	S	Bend	trans	-149.7	110.7	156.1	68.4	0	0	0	0	108.9	P522	P522-S524 VanDerWaalsContact C-N 3.28Å; P522-S524 PolarHBondContact O-N 2.96Å; P522-S524 VanDerWaalsContact O-N 3.12Å
525	S	39.1	Very low	36.7	Very low	78 Å²	78	128.2 Å²	128.2	55%	0.545	66%	0.655	S	S	.	*			trans	-51.9	147.6	-169.4	55.9	0	0	0	0	114.5	Y527 C528	S525-Y527 PolarHBondContact O-N 2.76Å; S525-C528 PolarHBondContact O-N 2.94Å
526	E	42.1	Very low	38.4	Very low	138 Å²	138	121.1 Å²	121.1	65%	0.645	62%	0.617	S	S	*	*	H	α-helix	trans	-47.5	-26.1	175.3	-157.3	-177	159.1	0	0	113.9	L529 K530	E526-L529 PolarHBondContact O-N 3.35Å; E526-K530 PolarHBondContact O-N 3.46Å
527	Y	36.8	Very low	40.2	Very low	179 Å²	179	120.3 Å²	120.3	70%	0.702	61%	0.611	S	S	*	*	H	α-helix	trans	-59.2	-42.7	172.9	-77.8	-85.1	0	0	0	113.2	S525 L529 K530 D531	S525-Y527 PolarHBondContact O-N 2.76Å; Y527-L529 VanDerWaalsContact C-N 3.29Å; Y527-L529 PolarHBondContact O-N 3.48Å; Y527-K530 PolarHBondContact O-N 2.88Å; Y527-D531 PolarHBondContact O-N 3.06Å
528	C	41.1	Very low	42.5	Very low	47 Å²	47	114.7 Å²	114.7	32%	0.318	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-31.3	-179.8	-171.5	0	0	0	0	112.4	S525 R532	S525-C528 PolarHBondContact O-N 2.94Å; C528-R532 WeakPolarHBondContact O-CB 3.1Å; C528-R532 VanDerWaalsContact O-CG 3.28Å; C528-R532 WeakPolarHBondContact O-CG 3.4Å; C528-R532 PolarHBondContact O-N 3.4Å; C528-R532 VanDerWaalsContact O-N 3.13Å
529	L	36.3	Very low	44.8	Very low	87 Å²	87	110.4 Å²	110.4	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-70.7	-43.6	175.7	-80.7	161.3	0	0	0	111.6	E526 Y527 R532 L533	E526-L529 PolarHBondContact O-N 3.35Å; Y527-L529 VanDerWaalsContact C-N 3.29Å; Y527-L529 PolarHBondContact O-N 3.48Å; L529-R532 PolarHBondContact O-N 3.37Å; L529-L533 WeakPolarHBondContact O-CB 3.37Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.15Å
530	K	45.4	Very low	47	Very low	130 Å²	130	106 Å²	106	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-61	-44.6	176.1	-74.8	-176.7	-178.7	172.5	0	111.4	E526 Y527 R532 L533 K534	E526-K530 PolarHBondContact O-N 3.46Å; Y527-K530 PolarHBondContact O-N 2.88Å; K530-R532 PolarHBondContact O-N 3.39Å; K530-L533 PolarHBondContact O-N 3.09Å; K530-K534 VanDerWaalsContact O-CB 3.31Å; K530-K534 WeakPolarHBondContact O-CB 3.4Å; K530-K534 PolarHBondContact O-N 3.36Å
531	D	46.4	Very low	49.4	Very low	109 Å²	109	105.4 Å²	105.4	58%	0.583	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-39.7	177.6	-72	-23.4	0	0	0	112.4	Y527 Y535	Y527-D531 PolarHBondContact O-N 3.06Å; D531-Y535 WeakPolarHBondContact O-CB 3.08Å; D531-Y535 PolarHBondContact O-N 3.08Å
532	R	42.3	Very low	52.1	Low	151 Å²	151	103.2 Å²	103.2	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-41.8	176.4	-76.2	178.2	-179.7	-170.4	3	113.1	C528 L529 K530 Y535 N536	C528-R532 WeakPolarHBondContact O-CB 3.1Å; C528-R532 VanDerWaalsContact O-CG 3.28Å; C528-R532 WeakPolarHBondContact O-CG 3.4Å; C528-R532 PolarHBondContact O-N 3.4Å; C528-R532 VanDerWaalsContact O-N 3.13Å; L529-R532 PolarHBondContact O-N 3.37Å; K530-R532 PolarHBondContact O-N 3.39Å; R532-Y535 PolarHBondContact O-N 2.77Å; R532-N536 PolarHBondContact O-N 3.2Å
533	L	50.8	Low	54.6	Low	98 Å²	98	97.6 Å²	97.6	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-42.7	176.2	-75.6	168.5	0	0	0	111	P156 L529 K530 N536 Y537	P156-L533 HydrophobicContact CG-CD2 4.34Å; L529-L533 WeakPolarHBondContact O-CB 3.37Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.15Å; K530-L533 PolarHBondContact O-N 3.09Å; L533-N536 PolarHBondContact O-N 3.26Å; L533-Y537 PolarHBondContact O-N 3.44Å
534	K	54.3	Low	57	Low	137 Å²	137	95.4 Å²	95.4	60%	0.596	45%	0.451	S	S	*	.	H	α-helix	trans	-60.5	-46.3	174.7	-171.8	178.4	179.8	-176.2	0	111.4	K530 N536 Y537 D538	K530-K534 VanDerWaalsContact O-CB 3.31Å; K530-K534 WeakPolarHBondContact O-CB 3.4Å; K530-K534 PolarHBondContact O-N 3.36Å; K534-N536 VanDerWaalsContact C-N 3.32Å; K534-N536 PolarHBondContact O-N 3.34Å; K534-Y537 PolarHBondContact O-N 3.33Å; K534-Y537 VanDerWaalsContact O-N 3.15Å; K534-D538 PolarHBondContact O-N 2.96Å
535	Y	55.4	Low	59.2	Low	123 Å²	123	96.3 Å²	96.3	48%	0.482	45%	0.446	S	S	.	.	H	α-helix	trans	-57.4	-43.6	176.2	-176.6	-94.1	0	0	0	112.5	D531 R532 D538 Q539	D531-Y535 WeakPolarHBondContact O-CB 3.08Å; D531-Y535 PolarHBondContact O-N 3.08Å; R532-Y535 PolarHBondContact O-N 2.77Å; Y535-D538 PolarHBondContact O-N 3.43Å; Y535-Q539 HydrophobicContact CD1-CG 4.16Å; Y535-Q539 HydrophobicContact CE1-CG 3.84Å; Y535-Q539 VanDerWaalsContact O-CG 3.23Å; Y535-Q539 WeakPolarHBondContact O-CG 3.05Å; Y535-Q539 PolarHBondContact O-N 3.08Å; Y535-Q539 PolarHBondContact OH-NE2 3.34Å; Y535-Q539 VanDerWaalsContact OH-NE2 3.08Å
536	N	63.1	Low	61.3	Low	20 Å²	20	93.6 Å²	93.6	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-64.5	-42.3	176.4	-74.2	-21.4	0	0	0	112.2	K154 R532 L533 K534 D538 Q539 L540	K154-N536 VanDerWaalsContact O-CG 3.26Å; K154-N536 PolarHBondContact O-ND2 3.2Å; K154-N536 PolarHBondContact O-OD1 2.92Å; R532-N536 PolarHBondContact O-N 3.2Å; L533-N536 PolarHBondContact O-N 3.26Å; K534-N536 VanDerWaalsContact C-N 3.32Å; K534-N536 PolarHBondContact O-N 3.34Å; N536-D538 VanDerWaalsContact C-N 3.34Å; N536-Q539 PolarHBondContact O-N 2.92Å; N536-L540 PolarHBondContact O-N 3.45Å
537	Y	63.9	Low	63.1	Low	163 Å²	163	87.6 Å²	87.6	64%	0.639	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.5	-170.7	-94.4	0	0	0	111.7	L533 K534 Q539 L540 K541	L533-Y537 PolarHBondContact O-N 3.44Å; K534-Y537 PolarHBondContact O-N 3.33Å; K534-Y537 VanDerWaalsContact O-N 3.15Å; Y537-Q539 VanDerWaalsContact C-N 3.3Å; Y537-Q539 PolarHBondContact O-N 3.23Å; Y537-L540 PolarHBondContact O-N 3.34Å; Y537-K541 WeakPolarHBondContact O-CB 3.39Å; Y537-K541 PolarHBondContact O-N 3.42Å
538	D	74.8	Confident	65.2	Low	63 Å²	63	84.5 Å²	84.5	34%	0.337	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-31.5	176.7	-70.3	-23.8	0	0	0	112.5	K534 Y535 N536 R542	K534-D538 PolarHBondContact O-N 2.96Å; Y535-D538 PolarHBondContact O-N 3.43Å; N536-D538 VanDerWaalsContact C-N 3.34Å; D538-R542 WeakPolarHBondContact O-CB 3.45Å; D538-R542 VanDerWaalsContact O-CG 3.27Å; D538-R542 WeakPolarHBondContact O-CG 3.3Å; D538-R542 PolarHBondContact O-N 3.01Å; D538-R542 VanDerWaalsContact O-N 3.13Å; D538-R542 PolarHBondContact O-NE 3.43Å
539	Q	73.9	Confident	67.1	Low	19 Å²	19	86.1 Å²	86.1	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-69.1	-47.6	173.1	-70.3	-83.9	-29.2	0	0	110.9	F151 Y535 N536 Y537 K541 R542 L543	F151-Q539 HydrophobicContact CD1-CB 4.41Å; F151-Q539 WeakPolarHBondContact CD1-O 3.34Å; F151-Q539 VanDerWaalsContact CD1-OE1 3.26Å; Y535-Q539 HydrophobicContact CD1-CG 4.16Å; Y535-Q539 HydrophobicContact CE1-CG 3.84Å; Y535-Q539 VanDerWaalsContact O-CG 3.23Å; Y535-Q539 WeakPolarHBondContact O-CG 3.05Å; Y535-Q539 PolarHBondContact O-N 3.08Å; Y535-Q539 PolarHBondContact OH-NE2 3.34Å; Y535-Q539 VanDerWaalsContact OH-NE2 3.08Å; N536-Q539 PolarHBondContact O-N 2.92Å; Y537-Q539 VanDerWaalsContact C-N 3.3Å; Y537-Q539 PolarHBondContact O-N 3.23Å; Q539-K541 PolarHBondContact O-N 2.88Å; Q539-R542 PolarHBondContact O-N 3.48Å; Q539-L543 WeakPolarHBondContact O-CB 3.15Å; Q539-L543 PolarHBondContact O-N 3.46Å
540	L	73	Confident	69.1	Low	62 Å²	62	82.6 Å²	82.6	33%	0.325	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.6	-76	160.6	0	0	0	112.4	Y153 N536 Y537 R542 L543 N544	Y153-L540 HydrophobicContact CE2-CD2 4.17Å; Y153-L540 HydrophobicContact CE2-CG 4.31Å; N536-L540 PolarHBondContact O-N 3.45Å; Y537-L540 PolarHBondContact O-N 3.34Å; L540-R542 VanDerWaalsContact C-N 3.35Å; L540-R542 PolarHBondContact O-N 3.26Å; L540-L543 WeakPolarHBondContact O-CB 3.11Å; L540-L543 PolarHBondContact O-N 2.98Å; L540-N544 PolarHBondContact O-N 3.44Å
541	K	78.4	Confident	70.4	Confident	114 Å²	114	78.8 Å²	78.8	50%	0.496	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-44.3	174.8	-172.9	178.9	-179.9	-178	0	111.3	Y537 Q539 N544 Q545	Y537-K541 WeakPolarHBondContact O-CB 3.39Å; Y537-K541 PolarHBondContact O-N 3.42Å; Q539-K541 PolarHBondContact O-N 2.88Å; K541-N544 PolarHBondContact O-N 3.12Å; K541-Q545 VanDerWaalsContact O-CG 3.29Å; K541-Q545 WeakPolarHBondContact O-CG 3.17Å; K541-Q545 PolarHBondContact O-N 3.23Å
542	R	81.2	Confident	71	Confident	107 Å²	107	74.5 Å²	74.5	40%	0.404	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-37.6	175.7	-79.1	-178.7	-79.7	-174.8	-7.4	112.1	F151 D538 Q539 L540 Q545 T546	F151-R542 HydrophobicContact CE1-CB 3.58Å; F151-R542 HydrophobicContact CZ-CB 4.12Å; D538-R542 WeakPolarHBondContact O-CB 3.45Å; D538-R542 VanDerWaalsContact O-CG 3.27Å; D538-R542 WeakPolarHBondContact O-CG 3.3Å; D538-R542 PolarHBondContact O-N 3.01Å; D538-R542 VanDerWaalsContact O-N 3.13Å; D538-R542 PolarHBondContact O-NE 3.43Å; Q539-R542 PolarHBondContact O-N 3.48Å; L540-R542 VanDerWaalsContact C-N 3.35Å; L540-R542 PolarHBondContact O-N 3.26Å; R542-Q545 PolarHBondContact O-N 2.98Å; R542-T546 WeakPolarHBondContact O-CB 3.3Å; R542-T546 PolarHBondContact O-N 3.32Å; R542-T546 PolarHBondContact O-OG1 3.37Å
543	L	82.2	Confident	71.8	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-48	174.7	174.8	65.1	0	0	0	111.3	I113 F151 A167 Q539 L540 T546 L547	I113-L543 HydrophobicContact CD1-CD1 4.2Å; I113-L543 HydrophobicContact CD1-CD2 4.07Å; I113-L543 HydrophobicContact CD1-CG 3.85Å; I113-L543 HydrophobicContact CG1-CD1 4.3Å; I113-L543 HydrophobicContact CG1-CG 4.49Å; I113-L543 HydrophobicContact CG2-CD1 4.31Å; I113-L543 HydrophobicContact CG2-CD2 4.02Å; F151-L543 HydrophobicContact CD1-CB 4.21Å; F151-L543 HydrophobicContact CD2-CB 3.95Å; F151-L543 HydrophobicContact CD2-CD1 3.42Å; F151-L543 VanDerWaalsContact CD2-CD1 3.42Å; F151-L543 HydrophobicContact CD2-CG 4.22Å; F151-L543 HydrophobicContact CE1-CB 4.23Å; F151-L543 HydrophobicContact CE2-CB 3.94Å; F151-L543 HydrophobicContact CE2-CD1 3.59Å; F151-L543 HydrophobicContact CE2-CG 4.38Å; F151-L543 HydrophobicContact CG-CB 4.1Å; F151-L543 HydrophobicContact CG-CD1 4.25Å; F151-L543 HydrophobicContact CZ-CB 4.1Å; A167-L543 HydrophobicContact CB-CD1 4.12Å; Q539-L543 WeakPolarHBondContact O-CB 3.15Å; Q539-L543 PolarHBondContact O-N 3.46Å; L540-L543 WeakPolarHBondContact O-CB 3.11Å; L540-L543 PolarHBondContact O-N 2.98Å; L543-T546 PolarHBondContact O-N 3.09Å; L543-L547 PolarHBondContact O-N 3.43Å
544	N	80.3	Confident	72.1	Confident	87 Å²	87	67.1 Å²	67.1	47%	0.465	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-39.3	176.3	-76.3	-27.1	0	0	0	112.6	L540 K541 L547 N548	L540-N544 PolarHBondContact O-N 3.44Å; K541-N544 PolarHBondContact O-N 3.12Å; N544-L547 PolarHBondContact O-N 2.98Å; N544-N548 WeakPolarHBondContact O-CB 3.33Å; N544-N548 VanDerWaalsContact O-CG 3.27Å; N544-N548 PolarHBondContact O-N 3.4Å; N544-N548 PolarHBondContact O-ND2 3.21Å
545	Q	82.9	Confident	72.2	Confident	107 Å²	107	60.9 Å²	60.9	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-44.4	173.7	-74.2	173.2	-21.8	0	0	111.6	K541 R542 N548 S549	K541-Q545 VanDerWaalsContact O-CG 3.29Å; K541-Q545 WeakPolarHBondContact O-CG 3.17Å; K541-Q545 PolarHBondContact O-N 3.23Å; R542-Q545 PolarHBondContact O-N 2.98Å; Q545-N548 PolarHBondContact O-N 3.4Å; Q545-S549 WeakPolarHBondContact O-CB 3.41Å; Q545-S549 PolarHBondContact O-N 2.79Å; Q545-S549 PolarHBondContact O-OG 3.39Å
546	T	82	Confident	72.2	Confident	21 Å²	21	57.5 Å²	57.5	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-49.7	176.2	-64	0	0	0	0	110.2	K148 C149 A167 R542 L543 N548 S549 L550	K148-T546 PolarHBondContact O-OG1 3.12Å; C149-T546 HydrophobicContact CB-CG2 4.38Å; A167-T546 HydrophobicContact CB-CG2 4.39Å; R542-T546 WeakPolarHBondContact O-CB 3.3Å; R542-T546 PolarHBondContact O-N 3.32Å; R542-T546 PolarHBondContact O-OG1 3.37Å; L543-T546 PolarHBondContact O-N 3.09Å; T546-N548 VanDerWaalsContact C-N 3.29Å; T546-N548 PolarHBondContact O-N 3.23Å; T546-S549 WeakPolarHBondContact CA-OG 3.18Å; T546-S549 CarbonylContact O-C 3.42Å; T546-S549 PolarHBondContact O-N 3.23Å; T546-S549 PolarHBondContact O-OG 3.01Å; T546-L550 HydrophobicContact CG2-CG 4.48Å; T546-L550 WeakPolarHBondContact O-CG 3.35Å; T546-L550 PolarHBondContact O-N 2.87Å
547	L	81.5	Confident	71.8	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-53.5	-47.6	176.4	-174	73.1	0	0	0	111.3	R111 I113 A167 L543 N544 S549 L550	R111-L547 HydrophobicContact CB-CD1 3.77Å; R111-L547 HydrophobicContact CB-CG 4.41Å; R111-L547 WeakPolarHBondContact CD-O 3.28Å; R111-L547 PolarHBondContact NH1-O 3Å; I113-L547 HydrophobicContact CD1-CB 4.41Å; I113-L547 HydrophobicContact CD1-CD2 3.81Å; I113-L547 HydrophobicContact CD1-CG 4.46Å; I113-L547 HydrophobicContact CG1-CD1 3.87Å; I113-L547 HydrophobicContact CG1-CD2 4.01Å; I113-L547 HydrophobicContact CG1-CG 4.35Å; A167-L547 HydrophobicContact CB-CD1 4.29Å; L543-L547 PolarHBondContact O-N 3.43Å; N544-L547 PolarHBondContact O-N 2.98Å; L547-S549 VanDerWaalsContact C-N 3.25Å; L547-S549 PolarHBondContact O-N 3.28Å; L547-L550 HydrophobicContact CD1-CD1 4.49Å; L547-L550 PolarHBondContact O-N 2.81Å
548	N	80.6	Confident	71.6	Confident	113 Å²	113	54.1 Å²	54.1	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-65.6	-27.2	179.3	-72.3	-27.1	0	0	0	113.5	R111 N544 Q545 T546	R111-N548 PolarHBondContact NH1-O 2.98Å; N544-N548 WeakPolarHBondContact O-CB 3.33Å; N544-N548 VanDerWaalsContact O-CG 3.27Å; N544-N548 PolarHBondContact O-N 3.4Å; N544-N548 PolarHBondContact O-ND2 3.21Å; Q545-N548 PolarHBondContact O-N 3.4Å; T546-N548 VanDerWaalsContact C-N 3.29Å; T546-N548 PolarHBondContact O-N 3.23Å
549	S	81.3	Confident	70.7	Confident	81 Å²	81	51.9 Å²	51.9	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-86.9	-13	178.1	73.3	0	0	0	0	114.8	Q545 T546 L547 S551	Q545-S549 WeakPolarHBondContact O-CB 3.41Å; Q545-S549 PolarHBondContact O-N 2.79Å; Q545-S549 PolarHBondContact O-OG 3.39Å; T546-S549 WeakPolarHBondContact CA-OG 3.18Å; T546-S549 CarbonylContact O-C 3.42Å; T546-S549 PolarHBondContact O-N 3.23Å; T546-S549 PolarHBondContact O-OG 3.01Å; L547-S549 VanDerWaalsContact C-N 3.25Å; L547-S549 PolarHBondContact O-N 3.28Å; S549-S551 PolarHBondContact O-N 2.97Å
550	L	78.3	Confident	69.3	Low	13 Å²	13	53.2 Å²	53.2	7%	0.068	29%	0.294	C	S	.	.			trans	-67.7	125.5	-178.9	-77.2	173.2	0	0	0	110.7	R111 A167 T546 L547 T554	R111-L550 HydrophobicContact CG-CB 4.5Å; A167-L550 HydrophobicContact CB-CD1 3.69Å; T546-L550 HydrophobicContact CG2-CG 4.48Å; T546-L550 WeakPolarHBondContact O-CG 3.35Å; T546-L550 PolarHBondContact O-N 2.87Å; L547-L550 HydrophobicContact CD1-CD1 4.49Å; L547-L550 PolarHBondContact O-N 2.81Å; L550-T554 HydrophobicContact CD2-CG2 3.81Å
551	S	71.1	Confident	68	Low	51 Å²	51	55.9 Å²	55.9	36%	0.357	31%	0.313	S	S	.	.			trans	-127.5	164.1	167.3	60.1	0	0	0	0	109.4	S549 S553 T554	S549-S551 PolarHBondContact O-N 2.97Å; S551-S553 PolarHBondContact O-N 3.3Å; S551-S553 VanDerWaalsContact O-N 3.09Å; S551-S553 PolarHBondContact OG-OG 3.16Å; S551-T554 PolarHBondContact N-OG1 3.26Å; S551-T554 VanDerWaalsContact O-CB 3.29Å; S551-T554 WeakPolarHBondContact O-CB 3.41Å; S551-T554 PolarHBondContact O-N 3.06Å; S551-T554 PolarHBondContact O-OG1 3.02Å; S551-T554 VanDerWaalsContact O-OG1 3.12Å; S551-T554 PolarHBondContact OG-OG1 3.29Å
552	C	60.3	Low	66.1	Low	19 Å²	19	53 Å²	53	13%	0.128	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.2	178.1	-70.2	0	0	0	0	113.6	E109 D171 T554 I555 S556	E109-C552 WeakPolarHBondContact CG-SG 3.44Å; D171-C552 HydrophobicContact CB-CB 4.12Å; C552-T554 PolarHBondContact O-N 3.28Å; C552-I555 PolarHBondContact O-N 3.35Å; C552-I555 VanDerWaalsContact O-N 3.13Å; C552-S556 PolarHBondContact O-N 2.83Å; C552-S556 VanDerWaalsContact O-N 3.16Å
553	S	57.9	Low	63.7	Low	71 Å²	71	51.7 Å²	51.7	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-26.3	175.7	58.4	0	0	0	0	113.3	S551 I555 S556 D557	S551-S553 PolarHBondContact O-N 3.3Å; S551-S553 VanDerWaalsContact O-N 3.09Å; S551-S553 PolarHBondContact OG-OG 3.16Å; S553-I555 VanDerWaalsContact C-N 3.25Å; S553-I555 PolarHBondContact O-N 3.27Å; S553-S556 WeakPolarHBondContact CA-OG 3.07Å; S553-S556 PolarHBondContact O-OG 3.39Å; S553-D557 VanDerWaalsContact O-CG 3.3Å; S553-D557 PolarHBondContact O-N 3.18Å
554	T	56.6	Low	61.2	Low	22 Å²	22	59.3 Å²	59.3	14%	0.135	35%	0.349	C	S	.	.	H	α-helix	trans	-72.6	-21.5	-179.4	-42	0	0	0	0	112.3	L550 S551 C552	L550-T554 HydrophobicContact CD2-CG2 3.81Å; S551-T554 PolarHBondContact N-OG1 3.26Å; S551-T554 VanDerWaalsContact O-CB 3.29Å; S551-T554 WeakPolarHBondContact O-CB 3.41Å; S551-T554 PolarHBondContact O-N 3.06Å; S551-T554 PolarHBondContact O-OG1 3.02Å; S551-T554 VanDerWaalsContact O-OG1 3.12Å; S551-T554 PolarHBondContact OG-OG1 3.29Å; C552-T554 PolarHBondContact O-N 3.28Å
555	I	58.3	Low	58.8	Low	7 Å²	7	60.1 Å²	60.1	4%	0.036	36%	0.361	C	S	.	.	H	α-helix	trans	-100	-36.8	-178.1	-69.5	139.5	0	0	0	111.6	F168 S169 C552 S553 D557 S558 F559	F168-I555 HydrophobicContact CE2-CG1 4.46Å; F168-I555 HydrophobicContact CZ-CG2 4.35Å; S169-I555 VanDerWaalsContact CB-CD1 3.45Å; S169-I555 WeakPolarHBondContact O-CD1 3.38Å; C552-I555 PolarHBondContact O-N 3.35Å; C552-I555 VanDerWaalsContact O-N 3.13Å; S553-I555 VanDerWaalsContact C-N 3.25Å; S553-I555 PolarHBondContact O-N 3.27Å; I555-D557 PolarHBondContact O-N 2.8Å; I555-D557 VanDerWaalsContact O-N 3.16Å; I555-S558 WeakPolarHBondContact O-CA 3.5Å; I555-S558 WeakPolarHBondContact O-CB 3.45Å; I555-S558 PolarHBondContact O-N 3.3Å; I555-S558 PolarHBondContact O-OG 3.34Å; I555-F559 HydrophobicContact CG2-CD2 3.55Å; I555-F559 HydrophobicContact CG2-CE2 3.35Å; I555-F559 WeakPolarHBondContact O-CD2 3.41Å; I555-F559 PolarHBondContact O-N 2.91Å
556	S	54.3	Low	56.2	Low	52 Å²	52	62 Å²	62	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-52.2	-37.4	170.6	56.8	0	0	0	0	110.9	C552 S553 F559 S560	C552-S556 PolarHBondContact O-N 2.83Å; C552-S556 VanDerWaalsContact O-N 3.16Å; S553-S556 WeakPolarHBondContact CA-OG 3.07Å; S553-S556 PolarHBondContact O-OG 3.39Å; S556-F559 PolarHBondContact O-N 3.49Å; S556-S560 WeakPolarHBondContact O-CB 3.34Å; S556-S560 PolarHBondContact O-N 3.28Å; S556-S560 PolarHBondContact O-OG 3.17Å; S556-S560 VanDerWaalsContact O-OG 3.14Å
557	D	55.7	Low	53.6	Low	99 Å²	99	72.8 Å²	72.8	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-40.3	174.6	-69.6	-8.7	0	0	0	112.7	S553 I555 F559 S560 V561	S553-D557 VanDerWaalsContact O-CG 3.3Å; S553-D557 PolarHBondContact O-N 3.18Å; I555-D557 PolarHBondContact O-N 2.8Å; I555-D557 VanDerWaalsContact O-N 3.16Å; D557-F559 VanDerWaalsContact C-N 3.32Å; D557-F559 PolarHBondContact O-N 2.99Å; D557-S560 WeakPolarHBondContact CA-OG 3.25Å; D557-S560 PolarHBondContact O-N 3.44Å; D557-S560 PolarHBondContact O-OG 3.09Å; D557-S560 VanDerWaalsContact O-OG 3.12Å; D557-V561 WeakPolarHBondContact O-CG2 3.36Å; D557-V561 PolarHBondContact O-N 3Å
558	S	58.3	Low	51.1	Low	13 Å²	13	77.3 Å²	77.3	9%	0.091	45%	0.445	C	S	.	.	H	α-helix	trans	-66.1	-34.8	177.7	73.5	0	0	0	0	112.7	S143 I555	S143-S558 WeakPolarHBondContact CB-O 3.48Å; I555-S558 WeakPolarHBondContact O-CA 3.5Å; I555-S558 WeakPolarHBondContact O-CB 3.45Å; I555-S558 PolarHBondContact O-N 3.3Å; I555-S558 PolarHBondContact O-OG 3.34Å
559	F	56.4	Low	48.8	Very low	15 Å²	15	77.5 Å²	77.5	7%	0.066	45%	0.451	C	S	.	.	H	α-helix	trans	-81	-35.2	176.1	-72.5	-68.8	0	0	0	112.5	V134 R139 I555 S556 D557 V561 S562	V134-F559 HydrophobicContact CG1-CE1 4.43Å; V134-F559 HydrophobicContact CG1-CZ 4.19Å; V134-F559 HydrophobicContact CG2-CZ 4.37Å; R139-F559 HydrophobicContact CB-CD1 3.95Å; R139-F559 HydrophobicContact CB-CE1 4.12Å; R139-F559 HydrophobicContact CG-CD1 4.48Å; I555-F559 HydrophobicContact CG2-CD2 3.55Å; I555-F559 HydrophobicContact CG2-CE2 3.35Å; I555-F559 WeakPolarHBondContact O-CD2 3.41Å; I555-F559 PolarHBondContact O-N 2.91Å; S556-F559 PolarHBondContact O-N 3.49Å; D557-F559 VanDerWaalsContact C-N 3.32Å; D557-F559 PolarHBondContact O-N 2.99Å; F559-V561 PolarHBondContact O-N 3.38Å; F559-S562 PolarHBondContact O-N 3.26Å; F559-S562 PolarHBondContact O-OG 3.42Å
560	S	45.1	Very low	46.5	Very low	48 Å²	48	79.1 Å²	79.1	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-70.1	-30.7	-174.3	68	0	0	0	0	113.4	S556 D557 S562 S563	S556-S560 WeakPolarHBondContact O-CB 3.34Å; S556-S560 PolarHBondContact O-N 3.28Å; S556-S560 PolarHBondContact O-OG 3.17Å; S556-S560 VanDerWaalsContact O-OG 3.14Å; D557-S560 WeakPolarHBondContact CA-OG 3.25Å; D557-S560 PolarHBondContact O-N 3.44Å; D557-S560 PolarHBondContact O-OG 3.09Å; D557-S560 VanDerWaalsContact O-OG 3.12Å; S560-S562 PolarHBondContact O-N 3.3Å; S560-S563 PolarHBondContact O-N 3.14Å; S560-S563 PolarHBondContact O-OG 3.43Å
561	V	45.5	Very low	44.5	Very low	118 Å²	118	87.4 Å²	87.4	72%	0.715	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.6	178.6	-177.4	0	0	0	0	112.2	D557 F559	D557-V561 WeakPolarHBondContact O-CG2 3.36Å; D557-V561 PolarHBondContact O-N 3Å; F559-V561 PolarHBondContact O-N 3.38Å
562	S	39.3	Very low	42.9	Very low	54 Å²	54	92 Å²	92	38%	0.378	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.4	177.9	69.4	0	0	0	0	114.6	F559 S560	F559-S562 PolarHBondContact O-N 3.26Å; F559-S562 PolarHBondContact O-OG 3.42Å; S560-S562 PolarHBondContact O-N 3.3Å
563	S	30.6	Very low	41.6	Very low	78 Å²	78	101.4 Å²	101.4	55%	0.545	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-86.4	-12.6	-170	67.9	0	0	0	0	115.2	S560 S565	S560-S563 PolarHBondContact O-N 3.14Å; S560-S563 PolarHBondContact O-OG 3.43Å; S563-S565 PolarHBondContact O-N 2.93Å
564	H	28.1	Very low	40.8	Very low	165 Å²	165	106.5 Å²	106.5	76%	0.764	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-84.8	3.2	-173.3	-79.5	-48.1	0	0	0	116.1
565	S	30.6	Very low	40	Very low	103 Å²	103	110.8 Å²	110.8	72%	0.72	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-90.2	7.6	-179.2	80.4	0	0	0	0	116	S563	S563-S565 PolarHBondContact O-N 2.93Å
566	L	28.6	Very low	39.1	Very low	148 Å²	148	116.2 Å²	116.2	78%	0.775	65%	0.646	S	S	*	*			trans	-128.3	15.8	-174.2	-76.2	169.5	0	0	0	116.5	S568	L566-S568 PolarHBondContact O-N 2.99Å
567	R	26.4	Very low	38.2	Very low	247 Å²	247	119.8 Å²	119.8	93%	0.932	66%	0.661	S	S	*	*			trans	-99.4	67.3	168.1	-91.2	-175.8	172.8	178	-1.5	111.5	T569	R567-T569 PolarHBondContact O-N 2.91Å
568	S	30.9	Very low	37.2	Very low	106 Å²	106	121 Å²	121	74%	0.741	67%	0.669	S	S	*	*			trans	-78.5	95.2	162.2	59.2	0	0	0	0	109.6	L566 S570	L566-S568 PolarHBondContact O-N 2.99Å; S568-S570 PolarHBondContact O-N 3.36Å
569	T	32.1	Very low	35.9	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	71%	0.705	S	S	*	*			trans	26	85.9	147.3	57.9	0	0	0	0	117.9	R567 K571	R567-T569 PolarHBondContact O-N 2.91Å; T569-K571 PolarHBondContact O-N 3.5Å
570	S	31.3	Very low	34.5	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	75%	0.748	S	S	*	*			trans	-79.6	89.8	145.7	57.1	0	0	0	0	107.4	S568	S568-S570 PolarHBondContact O-N 3.36Å
571	K	37	Very low	33.8	Very low	188 Å²	188	141.5 Å²	141.5	82%	0.817	78%	0.777	S	S	*	*			trans	-84.3	116.1	165.3	-86.3	-171.4	175.7	-178.4	0	107.9	T569 K573	T569-K571 PolarHBondContact O-N 3.5Å; K571-K573 PolarHBondContact O-N 3.08Å
572	D	38.7	Very low	32.9	Very low	148 Å²	148	143.3 Å²	143.3	79%	0.791	78%	0.782	S	S	*	*			trans	-46.4	128.6	176.8	-65	-53.8	0	0	0	112.2	S574	D572-S574 PolarHBondContact O-N 2.87Å
573	K	31.1	Very low	32.3	Very low	216 Å²	216	150.8 Å²	150.8	94%	0.939	82%	0.816	S	S	*	*			trans	-88.7	87.9	158.5	-75.7	-176.4	176.3	-179.6	0	107.4	K571	K571-K573 PolarHBondContact O-N 3.08Å
574	S	42.8	Very low	32.5	Very low	178 Å²	178	157.4 Å²	157.4	100%	1.245	84%	0.841	S	S	*	*			trans	-95.5	0	144.1	64.3	0	0	0	0	107.2	D572	D572-S574 PolarHBondContact O-N 2.87Å

Retrieved 574 of 574 residues in 1024.2 ms (Link to these results)

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