A0A5K4F650_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F650, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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	42.8	Very low	41.2	Very low	242 Å²	242	170.7 Å²	170.7	100%	1.192	82%	0.823	S	S	*	*				0	121.8	0	-86.5	166	134.4	0	0	108
2	N	36.9	Very low	41.5	Very low	157 Å²	157	168.1 Å²	168.1	84%	0.84	81%	0.813	S	S	*	*			trans	-59.8	132.1	-170.4	-80.9	-31.2	0	0	0	114
3	Y	43	Very low	41.6	Very low	234 Å²	234	168.8 Å²	168.8	92%	0.918	81%	0.811	S	S	*	*			trans	-135.3	96.9	149.8	-87	-81.3	0	0	0	108.9
4	S	42.1	Very low	41.8	Very low	103 Å²	103	166.9 Å²	166.9	72%	0.72	81%	0.805	S	S	*	*			trans	-89.2	113.8	170.2	173.2	0	0	0	0	108.1	R6	S4-R6 PolarHBondContact O-N 2.92Å
5	M	39.5	Very low	41.5	Very low	166 Å²	166	171.1 Å²	171.1	82%	0.818	81%	0.809	S	S	*	*			trans	-68.5	112.6	171.8	-111.4	172.7	136.3	0	0	109.3
6	R	40.9	Very low	41.3	Very low	226 Å²	226	166.6 Å²	166.6	85%	0.853	80%	0.802	S	S	*	*			trans	-93.7	114.8	166.1	-75.8	-174.1	173.8	-171.1	-1.9	109	S4	S4-R6 PolarHBondContact O-N 2.92Å
7	F	41.2	Very low	41.2	Very low	180 Å²	180	160.9 Å²	160.9	79%	0.789	78%	0.784	S	S	*	*			trans	-76.6	114.4	164.6	-88.9	-92.9	0	0	0	108.8
8	T	38.6	Very low	41.2	Very low	121 Å²	121	158.9 Å²	158.9	74%	0.742	78%	0.782	S	S	*	*			trans	-90.2	110	169.2	-53.9	0	0	0	0	108.1	I10	T8-I10 PolarHBondContact O-N 3.22Å
9	I	43	Very low	41	Very low	139 Å²	139	161.5 Å²	161.5	71%	0.713	78%	0.784	S	S	*	*			trans	-79.3	112.4	169.9	-64.2	173.4	0	0	0	107.3	F11	I9-F11 HydrophobicContact CG2-CD2 4.06Å; I9-F11 HydrophobicContact CG2-CE2 4.07Å; I9-F11 PolarHBondContact O-N 3.39Å
10	I	43.7	Very low	41.2	Very low	139 Å²	139	159.6 Å²	159.6	71%	0.713	78%	0.783	S	S	*	*			trans	-83.5	109	172.4	-62.6	173.4	0	0	0	107.5	T8 I12	T8-I10 PolarHBondContact O-N 3.22Å; I10-I12 HydrophobicContact CG2-CG1 4.18Å; I10-I12 PolarHBondContact O-N 3.32Å
11	F	41.8	Very low	41.4	Very low	171 Å²	171	160.5 Å²	160.5	75%	0.75	79%	0.785	S	S	*	*			trans	-78.2	108.5	166.3	-94.1	-88.7	0	0	0	109	I9 F13	I9-F11 HydrophobicContact CG2-CD2 4.06Å; I9-F11 HydrophobicContact CG2-CE2 4.07Å; I9-F11 PolarHBondContact O-N 3.39Å; F11-F13 PolarHBondContact O-N 2.9Å
12	I	44.6	Very low	42.3	Very low	139 Å²	139	153.9 Å²	153.9	71%	0.713	75%	0.75	S	S	*	*			trans	-81.3	104.2	168.1	-60.4	174.2	0	0	0	107	I10 I14	I10-I12 HydrophobicContact CG2-CG1 4.18Å; I10-I12 PolarHBondContact O-N 3.32Å; I12-I14 HydrophobicContact CG2-CG1 4.11Å; I12-I14 PolarHBondContact O-N 3.1Å
13	F	42.5	Very low	43.7	Very low	177 Å²	177	153.3 Å²	153.3	78%	0.776	75%	0.745	S	S	*	*			trans	-74.7	103	166.8	-96.5	-89	0	0	0	108.7	F11 W15	F11-F13 PolarHBondContact O-N 2.9Å; F13-W15 PolarHBondContact O-N 3.23Å; F13-W15 VanDerWaalsContact O-N 3.16Å
14	I	44.4	Very low	45.5	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	73%	0.728	S	S	*	*			trans	-76.9	96.4	166.9	-57.1	174.9	0	0	0	106.7	I12 S16	I12-I14 HydrophobicContact CG2-CG1 4.11Å; I12-I14 PolarHBondContact O-N 3.1Å; I14-S16 PolarHBondContact O-N 2.79Å
15	W	38.2	Very low	47.9	Very low	229 Å²	229	143 Å²	143	87%	0.867	70%	0.702	S	S	*	*			trans	-68.2	98.6	165.2	-112.5	59.9	0	0	0	107.7	F13 S17	F13-W15 PolarHBondContact O-N 3.23Å; F13-W15 VanDerWaalsContact O-N 3.16Å; W15-S17 VanDerWaalsContact C-N 3.32Å; W15-S17 PolarHBondContact O-N 3.12Å; W15-S17 VanDerWaalsContact O-N 3.07Å
16	S	37.8	Very low	50.5	Low	99 Å²	99	135.8 Å²	135.8	69%	0.692	67%	0.669	S	S	*	*			trans	-73.5	93	164.5	26.8	0	0	0	0	107.1	I14 V18	I14-S16 PolarHBondContact O-N 2.79Å; S16-V18 PolarHBondContact O-N 3.46Å
17	S	39.9	Very low	53.1	Low	71 Å²	71	127.4 Å²	127.4	50%	0.497	64%	0.639	S	S	.	*			trans	-58	105.6	161.4	51.3	0	0	0	0	107.2	W15 Y19	W15-S17 VanDerWaalsContact C-N 3.32Å; W15-S17 PolarHBondContact O-N 3.12Å; W15-S17 VanDerWaalsContact O-N 3.07Å; S17-Y19 VanDerWaalsContact C-N 3.28Å; S17-Y19 PolarHBondContact O-N 3.36Å; S17-Y19 WeakPolarHBondContact OG-CE2 2.96Å
18	V	40.7	Very low	55.8	Low	125 Å²	125	119 Å²	119	76%	0.758	60%	0.602	S	S	*	*			trans	-64.4	96.5	169	-178.8	0	0	0	0	105.9	S16 T20	S16-V18 PolarHBondContact O-N 3.46Å; V18-T20 VanDerWaalsContact C-N 3.32Å; V18-T20 HydrophobicContact CG1-CG2 4.4Å; V18-T20 PolarHBondContact O-N 2.99Å
19	Y	38.5	Very low	58.6	Low	207 Å²	207	116.5 Å²	116.5	81%	0.812	58%	0.582	S	S	*	*			trans	-65.2	99.9	163.8	-79.1	-90.2	0	0	0	106	S17 E21	S17-Y19 VanDerWaalsContact C-N 3.28Å; S17-Y19 PolarHBondContact O-N 3.36Å; S17-Y19 WeakPolarHBondContact OG-CE2 2.96Å; Y19-E21 PolarHBondContact O-N 2.82Å
20	T	44.3	Very low	61.2	Low	124 Å²	124	110 Å²	110	76%	0.761	55%	0.548	S	S	*	.			trans	-66.9	102.7	164	45.8	0	0	0	0	106.3	V18 F22	V18-T20 VanDerWaalsContact C-N 3.32Å; V18-T20 HydrophobicContact CG1-CG2 4.4Å; V18-T20 PolarHBondContact O-N 2.99Å; T20-F22 PolarHBondContact O-N 3.36Å
21	E	45.3	Very low	63.6	Low	179 Å²	179	105.2 Å²	105.2	84%	0.836	52%	0.524	S	S	*	.			trans	-53.2	122	175.4	-157.5	168.9	-161.6	0	0	108.4	Y19 I23	Y19-E21 PolarHBondContact O-N 2.82Å; E21-I23 PolarHBondContact O-N 2.94Å; E21-I23 VanDerWaalsContact O-N 3.08Å
22	F	60.9	Low	66.1	Low	103 Å²	103	106 Å²	106	45%	0.452	53%	0.53	S	S	.	.			trans	-63.5	111.6	177.8	172.6	-106.2	0	0	0	108.3	T20 P24 A112 E113	T20-F22 PolarHBondContact O-N 3.36Å; F22-P24 HydrophobicContact CE1-CB 4.18Å; F22-P24 VanDerWaalsContact O-CD 3.29Å; F22-P24 WeakPolarHBondContact O-CD 3.38Å; F22-A112 WeakPolarHBondContact CE2-O 3.34Å; F22-A112 HydrophobicContact CZ-CB 4.25Å; F22-A112 VanDerWaalsContact CZ-O 3.23Å; F22-A112 WeakPolarHBondContact CZ-O 3.4Å; F22-E113 VanDerWaalsContact CE2-CA 3.41Å
23	I	67.3	Low	68.4	Low	144 Å²	144	104.7 Å²	104.7	74%	0.738	52%	0.524	S	S	*	.			trans	-79.8	113.1	172.9	-59.1	176.6	0	0	0	106.5	E21 L25	E21-I23 PolarHBondContact O-N 2.94Å; E21-I23 VanDerWaalsContact O-N 3.08Å; I23-L25 PolarHBondContact O-N 3.4Å
24	P	80.9	Confident	71	Confident	86 Å²	86	96.7 Å²	96.7	56%	0.558	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-62.5	141.1	-179.5	26.2	-33.6	0	0	0	110.1	F22	F22-P24 HydrophobicContact CE1-CB 4.18Å; F22-P24 VanDerWaalsContact O-CD 3.29Å; F22-P24 WeakPolarHBondContact O-CD 3.38Å
25	L	93	Very high	73.5	Confident	34 Å²	34	92.1 Å²	92.1	18%	0.178	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-54.7	143.2	172	-72.8	176.5	0	0	0	110.5	I23 Y117 S207 N208	I23-L25 PolarHBondContact O-N 3.4Å; L25-Y117 HydrophobicContact CB-CE1 4.15Å; L25-Y117 HydrophobicContact CB-CE2 4.36Å; L25-Y117 HydrophobicContact CD1-CD2 3.98Å; L25-Y117 HydrophobicContact CD1-CE1 4.41Å; L25-Y117 HydrophobicContact CD1-CE2 3.88Å; L25-Y117 HydrophobicContact CD1-CG 4.31Å; L25-Y117 HydrophobicContact CD2-CE2 3.76Å; L25-Y117 HydrophobicContact CG-CE2 4.22Å; L25-S207 WeakPolarHBondContact O-CB 3.37Å; L25-S207 PolarHBondContact O-OG 3.3Å; L25-N208 HydrophobicContact CB-CB 4.24Å; L25-N208 HydrophobicContact CD1-CB 3.56Å; L25-N208 HydrophobicContact CG-CB 4.49Å
26	S	93.6	Very high	76.4	Confident	16 Å²	16	81.7 Å²	81.7	11%	0.112	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-69.6	144.3	176.6	-178.6	0	0	0	0	110.9	I28 H39 Y117	S26-I28 PolarHBondContact O-N 2.99Å; S26-H39 WeakPolarHBondContact CB-ND1 3.45Å; S26-H39 PolarHBondContact OG-N 3.42Å; S26-H39 VanDerWaalsContact OG-N 3.09Å; S26-H39 PolarHBondContact OG-ND1 3.02Å; S26-Y117 PolarHBondContact N-OH 2.83Å; S26-Y117 VanDerWaalsContact O-CE1 3.29Å; S26-Y117 WeakPolarHBondContact O-CE1 3.27Å; S26-Y117 PolarHBondContact O-OH 3.12Å
27	K	95.6	Very high	79.2	Confident	50 Å²	50	78.9 Å²	78.9	22%	0.217	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.1	160.7	-160.3	70.2	173.2	173.1	0	108.7	K206 V209 S257 S258	K27-K206 PolarHBondContact NZ-O 2.87Å; K27-V209 PolarHBondContact NZ-O 2.93Å; K27-S257 WeakPolarHBondContact CE-OG 3.24Å; K27-S258 VanDerWaalsContact CE-OG 3.31Å; K27-S258 WeakPolarHBondContact CE-OG 3.15Å; K27-S258 PolarHBondContact NZ-OG 2.85Å
28	I	97.5	Very high	81.8	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.021	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-101.5	141	-178.3	-57.7	-60.9	0	0	0	109.6	S26 F36 M37 D38 K44 F46 Y117 L210 L259	S26-I28 PolarHBondContact O-N 2.99Å; I28-F36 HydrophobicContact CG2-CB 3.8Å; I28-F36 HydrophobicContact CG2-CD1 4Å; I28-F36 HydrophobicContact CG2-CG 4.41Å; I28-M37 WeakPolarHBondContact CA-O 3.49Å; I28-D38 HydrophobicContact CD1-CB 3.96Å; I28-K44 HydrophobicContact CD1-CG 3.88Å; I28-F46 HydrophobicContact CD1-CZ 4.41Å; I28-F46 HydrophobicContact CG1-CZ 4.05Å; I28-F46 HydrophobicContact CG2-CE2 4.47Å; I28-F46 HydrophobicContact CG2-CZ 4.35Å; I28-Y117 HydrophobicContact CD1-CE1 4.22Å; I28-Y117 HydrophobicContact CG1-CD1 4.27Å; I28-Y117 HydrophobicContact CG1-CE1 3.55Å; I28-L210 HydrophobicContact CB-CD1 3.64Å; I28-L210 HydrophobicContact CG1-CD1 3.95Å; I28-L210 HydrophobicContact CG2-CD1 3.79Å; I28-L259 HydrophobicContact CG2-CD1 4.4Å
29	H	96.5	Very high	84.2	Confident	68 Å²	68	76.7 Å²	76.7	32%	0.315	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	177.3	171.3	64.2	-71.8	0	0	0	109.4	F36 M37 D38	H29-F36 CarbonylContact O-C 3.47Å; H29-F36 WeakPolarHBondContact O-CA 3.36Å; H29-M37 PolarHBondContact N-O 2.77Å; H29-M37 PolarHBondContact ND1-O 3.34Å; H29-M37 WeakPolarHBondContact NE2-CE 3.43Å; H29-M37 PolarHBondContact O-N 3.13Å; H29-D38 PolarHBondContact CE1-O 2.65Å
30	L	98.1	Very high	86.6	Confident	3 Å²	3	72 Å²	72	2%	0.016	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.9	176.3	-56	167.7	0	0	0	110.6	M35 F36 L259 P296 S297 S299 V300 G349	L30-M35 WeakPolarHBondContact CA-O 3.35Å; L30-F36 HydrophobicContact CD2-CD1 3.6Å; L30-F36 HydrophobicContact CD2-CE1 3.81Å; L30-F36 HydrophobicContact CD2-CG 3.98Å; L30-F36 HydrophobicContact CD2-CZ 4.32Å; L30-L259 HydrophobicContact CD1-CD2 4.37Å; L30-L259 HydrophobicContact CG-CD2 4.03Å; L30-P296 WeakPolarHBondContact CD1-O 3.29Å; L30-S297 WeakPolarHBondContact CB-O 3.32Å; L30-S297 PolarHBondContact N-O 3.27Å; L30-S297 WeakPolarHBondContact O-CB 3.46Å; L30-S299 WeakPolarHBondContact CD1-O 3.24Å; L30-V300 HydrophobicContact CD1-CG2 4.02Å; L30-V300 HydrophobicContact CD2-CG2 4.4Å; L30-G349 VanDerWaalsContact CD1-N 3.33Å
31	N	95	Very high	88.9	Confident	37 Å²	37	67 Å²	67	20%	0.198	34%	0.341	C	S	.	.			trans	-77.2	-178.7	169.4	79.4	-2.6	0	0	0	111.2	D33 G34 M35 M37	N31-D33 PolarHBondContact O-N 2.77Å; N31-D33 WeakPolarHBondContact OD1-CA 3.08Å; N31-D33 PolarHBondContact OD1-N 3.42Å; N31-G34 PolarHBondContact O-N 3.49Å; N31-G34 VanDerWaalsContact O-N 3.08Å; N31-G34 PolarHBondContact OD1-N 2.86Å; N31-M35 PolarHBondContact N-O 3.16Å; N31-M35 WeakPolarHBondContact OD1-CB 3.32Å; N31-M35 PolarHBondContact OD1-N 3.38Å; N31-M37 HydrophobicContact CB-CE 4.07Å; N31-M37 HydrophobicContact CB-SD 4.13Å
32	Q	93.2	Very high	91.3	Very high	189 Å²	189	59.9 Å²	59.9	88%	0.883	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.6	-179.9	67.8	-172.3	-2.5	0	0	114.5	G34	Q32-G34 VanDerWaalsContact C-N 3.33Å
33	D	93.5	Very high	93	Very high	110 Å²	110	55.5 Å²	55.5	59%	0.588	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	2.1	179.4	-58.5	-50.6	0	0	0	112.2	N31 M35	N31-D33 PolarHBondContact O-N 2.77Å; N31-D33 WeakPolarHBondContact OD1-CA 3.08Å; N31-D33 PolarHBondContact OD1-N 3.42Å; D33-M35 VanDerWaalsContact C-N 3.34Å; D33-M35 HydrophobicContact CB-CG 4.11Å
34	G	96.9	Very high	94.5	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.258	C	S	.	.	S	Bend	trans	79.1	15.7	-178.1	0	0	0	0	0	114.1	N31 Q32 G348 G349	N31-G34 PolarHBondContact O-N 3.49Å; N31-G34 VanDerWaalsContact O-N 3.08Å; N31-G34 PolarHBondContact OD1-N 2.86Å; Q32-G34 VanDerWaalsContact C-N 3.33Å; G34-G348 WeakPolarHBondContact CA-O 3.41Å; G34-G349 WeakPolarHBondContact O-CA 3.33Å
35	M	97.7	Very high	95.3	Very high	48 Å²	48	46 Å²	46	24%	0.236	23%	0.232	C	C	.	.			trans	-88.9	138.6	179.7	-53.6	-62.8	-69.8	0	0	110.6	L30 N31 D33 M37 I43 F383	L30-M35 WeakPolarHBondContact CA-O 3.35Å; N31-M35 PolarHBondContact N-O 3.16Å; N31-M35 WeakPolarHBondContact OD1-CB 3.32Å; N31-M35 PolarHBondContact OD1-N 3.38Å; D33-M35 VanDerWaalsContact C-N 3.34Å; D33-M35 HydrophobicContact CB-CG 4.11Å; M35-M37 PolarHBondContact O-N 3.29Å; M35-I43 HydrophobicContact CB-CD1 3.8Å; M35-I43 HydrophobicContact CB-CG1 4.48Å; M35-I43 HydrophobicContact CB-CG2 4.01Å; M35-I43 HydrophobicContact CE-CG2 3.89Å; M35-F383 HydrophobicContact CE-CD1 3.24Å; M35-F383 HydrophobicContact CE-CE1 3.66Å; M35-F383 HydrophobicContact CE-CG 4.19Å
36	F	98.4	Very high	95.6	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.044	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.5	176.1	-58	-87.9	0	0	0	110.7	I28 H29 L30 I43 K44 F46 L210 L259 F261 V300 R350 F351	I28-F36 HydrophobicContact CG2-CB 3.8Å; I28-F36 HydrophobicContact CG2-CD1 4Å; I28-F36 HydrophobicContact CG2-CG 4.41Å; H29-F36 CarbonylContact O-C 3.47Å; H29-F36 WeakPolarHBondContact O-CA 3.36Å; L30-F36 HydrophobicContact CD2-CD1 3.6Å; L30-F36 HydrophobicContact CD2-CE1 3.81Å; L30-F36 HydrophobicContact CD2-CG 3.98Å; L30-F36 HydrophobicContact CD2-CZ 4.32Å; F36-I43 CarbonylContact O-C 3.59Å; F36-I43 VanDerWaalsContact O-CA 3.23Å; F36-I43 WeakPolarHBondContact O-CA 3.47Å; F36-K44 HydrophobicContact CB-CB 4.39Å; F36-K44 PolarHBondContact O-N 2.92Å; F36-F46 HydrophobicContact CB-CD2 4.39Å; F36-F46 HydrophobicContact CB-CE2 3.59Å; F36-F46 HydrophobicContact CB-CZ 4.47Å; F36-F46 HydrophobicContact CD1-CD2 4.39Å; F36-F46 AromaticContact CD1-CE2 3.84Å; F36-F46 HydrophobicContact CD1-CE2 3.84Å; F36-F46 HydrophobicContact CD2-CD2 4.16Å; F36-F46 HydrophobicContact CD2-CE2 4.15Å; F36-F46 HydrophobicContact CG-CD2 4.07Å; F36-F46 AromaticContact CG-CE2 3.6Å; F36-F46 HydrophobicContact CG-CE2 3.6Å; F36-L210 HydrophobicContact CD1-CD1 4.45Å; F36-L259 HydrophobicContact CD1-CD1 3.71Å; F36-L259 HydrophobicContact CE1-CD1 3.61Å; F36-F261 HydrophobicContact CE1-CZ 4.42Å; F36-V300 HydrophobicContact CE1-CG1 4.48Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 3.99Å; F36-V300 HydrophobicContact CZ-CG2 4.04Å; F36-R350 WeakPolarHBondContact CE2-O 3.27Å; F36-F351 HydrophobicContact CE1-CD2 4.39Å; F36-F351 HydrophobicContact CE2-CD2 4.11Å; F36-F351 HydrophobicContact CZ-CB 4.36Å; F36-F351 AromaticContact CZ-CD2 3.68Å; F36-F351 HydrophobicContact CZ-CD2 3.68Å
37	M	96.9	Very high	95.8	Very high	40 Å²	40	44 Å²	44	20%	0.197	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.3	-173.6	-165.8	166	69.6	0	0	111	I28 H29 N31 M35 Y42 I43	I28-M37 WeakPolarHBondContact CA-O 3.49Å; H29-M37 PolarHBondContact N-O 2.77Å; H29-M37 PolarHBondContact ND1-O 3.34Å; H29-M37 WeakPolarHBondContact NE2-CE 3.43Å; H29-M37 PolarHBondContact O-N 3.13Å; N31-M37 HydrophobicContact CB-CE 4.07Å; N31-M37 HydrophobicContact CB-SD 4.13Å; M35-M37 PolarHBondContact O-N 3.29Å; M37-Y42 VanDerWaalsContact CA-O 3.29Å; M37-Y42 WeakPolarHBondContact CA-O 3.29Å; M37-I43 HydrophobicContact CB-CD1 4.13Å; M37-I43 HydrophobicContact CG-CD1 4.13Å; M37-I43 HydrophobicContact SD-CD1 4.15Å
38	D	94.8	Very high	95.9	Very high	14 Å²	14	41.6 Å²	41.6	8%	0.075	21%	0.209	C	C	.	.			trans	-82.5	176.3	171.6	71	19	0	0	0	112.2	I28 H29 L40 G41 Y42 K44	I28-D38 HydrophobicContact CD1-CB 3.96Å; H29-D38 PolarHBondContact CE1-O 2.65Å; D38-L40 PolarHBondContact O-N 3.22Å; D38-L40 WeakPolarHBondContact OD1-CA 3.12Å; D38-L40 WeakPolarHBondContact OD1-CB 3.22Å; D38-L40 PolarHBondContact OD1-N 2.82Å; D38-G41 PolarHBondContact O-N 3.3Å; D38-G41 PolarHBondContact OD1-N 2.84Å; D38-Y42 PolarHBondContact N-O 2.77Å; D38-Y42 PolarHBondContact OD1-N 2.92Å; D38-K44 HydrophobicContact CB-CD 4.41Å; D38-K44 HydrophobicContact CB-CG 4.39Å
39	H	90.9	Very high	95.8	Very high	136 Å²	136	41.7 Å²	41.7	63%	0.63	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.5	-179.3	71.8	-78.9	0	0	0	114.2	S26	S26-H39 WeakPolarHBondContact CB-ND1 3.45Å; S26-H39 PolarHBondContact OG-N 3.42Å; S26-H39 VanDerWaalsContact OG-N 3.09Å; S26-H39 PolarHBondContact OG-ND1 3.02Å
40	L	89.5	Confident	95.8	Very high	107 Å²	107	38.5 Å²	38.5	56%	0.56	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.6	177.5	-61.4	177.3	0	0	0	112.1	D38 Y42	D38-L40 PolarHBondContact O-N 3.22Å; D38-L40 WeakPolarHBondContact OD1-CA 3.12Å; D38-L40 WeakPolarHBondContact OD1-CB 3.22Å; D38-L40 PolarHBondContact OD1-N 2.82Å; L40-Y42 HydrophobicContact CB-CD2 3.84Å; L40-Y42 HydrophobicContact CB-CE2 4.08Å
41	G	91.6	Very high	95.7	Very high	20 Å²	20	38.6 Å²	38.6	21%	0.206	20%	0.195	C	C	.	.	S	Bend	trans	91.2	9.7	178.9	0	0	0	0	0	114.3	D38	D38-G41 PolarHBondContact O-N 3.3Å; D38-G41 PolarHBondContact OD1-N 2.84Å
42	Y	95.2	Very high	95.7	Very high	30 Å²	30	37.6 Å²	37.6	12%	0.118	19%	0.19	C	C	.	.			trans	-79.2	132.6	173.8	-70.2	-101.3	0	0	0	110.2	M37 D38 L40 N417 L451	M37-Y42 VanDerWaalsContact CA-O 3.29Å; M37-Y42 WeakPolarHBondContact CA-O 3.29Å; D38-Y42 PolarHBondContact N-O 2.77Å; D38-Y42 PolarHBondContact OD1-N 2.92Å; L40-Y42 HydrophobicContact CB-CD2 3.84Å; L40-Y42 HydrophobicContact CB-CE2 4.08Å; Y42-N417 HydrophobicContact CD1-CB 3.83Å; Y42-N417 HydrophobicContact CE1-CB 3.67Å; Y42-N417 HydrophobicContact CG-CB 4.48Å; Y42-L451 HydrophobicContact CE1-CD2 4.46Å; Y42-L451 HydrophobicContact CE1-CG 4.26Å; Y42-L451 WeakPolarHBondContact OH-CB 3.06Å; Y42-L451 PolarHBondContact OH-O 3.09Å
43	I	97.7	Very high	95.8	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.051	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.6	166.8	-57.4	-51.2	0	0	0	109.1	M35 F36 M37 F383 S415 T416	M35-I43 HydrophobicContact CB-CD1 3.8Å; M35-I43 HydrophobicContact CB-CG1 4.48Å; M35-I43 HydrophobicContact CB-CG2 4.01Å; M35-I43 HydrophobicContact CE-CG2 3.89Å; F36-I43 CarbonylContact O-C 3.59Å; F36-I43 VanDerWaalsContact O-CA 3.23Å; F36-I43 WeakPolarHBondContact O-CA 3.47Å; M37-I43 HydrophobicContact CB-CD1 4.13Å; M37-I43 HydrophobicContact CG-CD1 4.13Å; M37-I43 HydrophobicContact SD-CD1 4.15Å; I43-F383 HydrophobicContact CG2-CE1 3.83Å; I43-F383 HydrophobicContact CG2-CZ 4.44Å; I43-S415 CarbonylContact O-C 3.48Å; I43-S415 WeakPolarHBondContact O-CA 3.4Å; I43-T416 PolarHBondContact N-O 3.15Å; I43-T416 PolarHBondContact O-N 3.04Å
44	K	98.1	Very high	95.9	Very high	30 Å²	30	27.8 Å²	27.8	13%	0.13	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.7	179.2	-53.1	-61.3	-68.3	-172.9	0	109.7	I28 F36 D38 F46 Q414 S415	I28-K44 HydrophobicContact CD1-CG 3.88Å; F36-K44 HydrophobicContact CB-CB 4.39Å; F36-K44 PolarHBondContact O-N 2.92Å; D38-K44 HydrophobicContact CB-CD 4.41Å; D38-K44 HydrophobicContact CB-CG 4.39Å; K44-F46 HydrophobicContact CB-CE1 4.37Å; K44-F46 HydrophobicContact CB-CE2 3.98Å; K44-F46 HydrophobicContact CB-CZ 3.73Å; K44-F46 HydrophobicContact CG-CZ 4.48Å; K44-Q414 VanDerWaalsContact CE-O 3.24Å; K44-Q414 WeakPolarHBondContact CE-O 3.17Å; K44-Q414 PolarHBondContact NZ-O 2.81Å; K44-S415 PolarHBondContact NZ-OG 3.28Å
45	L	98.4	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.			trans	-112.7	133.1	170.3	-174	59.5	0	0	0	108.5	N78 F383 Y412 P413	L45-N78 PolarHBondContact O-ND2 3.13Å; L45-F383 HydrophobicContact CB-CE1 3.95Å; L45-F383 HydrophobicContact CB-CZ 3.99Å; L45-F383 HydrophobicContact CD1-CD1 3.87Å; L45-F383 HydrophobicContact CD1-CE1 4.03Å; L45-F383 HydrophobicContact CD1-CG 4.29Å; L45-F383 HydrophobicContact CD2-CD2 4.12Å; L45-F383 HydrophobicContact CD2-CE1 4.36Å; L45-F383 HydrophobicContact CD2-CE2 3.99Å; L45-F383 HydrophobicContact CD2-CG 4.44Å; L45-F383 HydrophobicContact CD2-CZ 4.12Å; L45-F383 HydrophobicContact CG-CE1 4.35Å; L45-F383 HydrophobicContact CG-CZ 4.47Å; L45-Y412 HydrophobicContact CB-CD2 4.28Å; L45-Y412 HydrophobicContact CB-CE2 4.48Å; L45-Y412 HydrophobicContact CD2-CD2 4.01Å; L45-Y412 HydrophobicContact CG-CD2 4.23Å; L45-P413 VanDerWaalsContact CB-O 3.3Å; L45-P413 WeakPolarHBondContact CB-O 3.18Å; L45-P413 HydrophobicContact CD2-CG 4.18Å
46	F	98.7	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.			trans	-110.2	134.2	-177	-57.3	-80.4	0	0	0	112.5	I28 F36 K44 N78 V79 Y117 L210 F351 S385 W386	I28-F46 HydrophobicContact CD1-CZ 4.41Å; I28-F46 HydrophobicContact CG1-CZ 4.05Å; I28-F46 HydrophobicContact CG2-CE2 4.47Å; I28-F46 HydrophobicContact CG2-CZ 4.35Å; F36-F46 HydrophobicContact CB-CD2 4.39Å; F36-F46 HydrophobicContact CB-CE2 3.59Å; F36-F46 HydrophobicContact CB-CZ 4.47Å; F36-F46 HydrophobicContact CD1-CD2 4.39Å; F36-F46 AromaticContact CD1-CE2 3.84Å; F36-F46 HydrophobicContact CD1-CE2 3.84Å; F36-F46 HydrophobicContact CD2-CD2 4.16Å; F36-F46 HydrophobicContact CD2-CE2 4.15Å; F36-F46 HydrophobicContact CG-CD2 4.07Å; F36-F46 AromaticContact CG-CE2 3.6Å; F36-F46 HydrophobicContact CG-CE2 3.6Å; K44-F46 HydrophobicContact CB-CE1 4.37Å; K44-F46 HydrophobicContact CB-CE2 3.98Å; K44-F46 HydrophobicContact CB-CZ 3.73Å; K44-F46 HydrophobicContact CG-CZ 4.48Å; F46-N78 WeakPolarHBondContact CA-OD1 3.47Å; F46-V79 HydrophobicContact CB-CB 4.03Å; F46-V79 HydrophobicContact CB-CG1 3.73Å; F46-V79 HydrophobicContact CD1-CB 4.17Å; F46-V79 HydrophobicContact CG-CB 4.44Å; F46-Y117 HydrophobicContact CD1-CD2 4.31Å; F46-Y117 AromaticContact CE1-CD2 3.6Å; F46-Y117 HydrophobicContact CE1-CD2 3.6Å; F46-Y117 AromaticContact CE1-CE2 3.92Å; F46-Y117 HydrophobicContact CE1-CE2 3.92Å; F46-Y117 AromaticContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CE1-CG 3.95Å; F46-L210 HydrophobicContact CD2-CD2 4.2Å; F46-L210 HydrophobicContact CE2-CD1 4.16Å; F46-L210 HydrophobicContact CE2-CD2 4.13Å; F46-L210 HydrophobicContact CG-CD2 4.42Å; F46-L210 HydrophobicContact CZ-CD1 4.02Å; F46-L210 HydrophobicContact CZ-CD2 4.31Å; F46-F351 HydrophobicContact CB-CE2 3.77Å; F46-F351 HydrophobicContact CB-CZ 4.02Å; F46-F351 HydrophobicContact CD2-CE2 4.16Å; F46-F351 HydrophobicContact CG-CE2 4.27Å; F46-S385 PolarHBondContact N-OG 3.14Å; F46-S385 CarbonylContact O-C 3.21Å; F46-S385 VanDerWaalsContact O-CA 3.23Å; F46-S385 WeakPolarHBondContact O-CA 3.41Å; F46-S385 WeakPolarHBondContact O-CB 3.31Å; F46-W386 PolarHBondContact O-N 3.36Å
47	R	97.9	Very high	95.5	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.5	-179.4	-58.7	-68.7	-169.4	-148.4	2.8	107.9	L77 N78 D380 E384 W386 Y412	R47-L77 WeakPolarHBondContact O-CA 3.26Å; R47-N78 PolarHBondContact N-OD1 2.85Å; R47-N78 PolarHBondContact O-N 2.69Å; R47-N78 PolarHBondContact O-OD1 3.06Å; R47-D380 IonicContact CZ-OD1 3.45Å; R47-D380 IonicContact NH2-OD1 2.67Å; R47-D380 PolarHBondContact NH2-OD1 3.1Å; R47-E384 PolarHBondContact NH1-O 2.94Å; R47-W386 HydrophobicContact CB-CH2 4.21Å; R47-W386 HydrophobicContact CB-CZ2 4.18Å; R47-W386 VanDerWaalsContact CD-CZ2 3.49Å; R47-W386 HydrophobicContact CG-CZ2 4.35Å; R47-Y412 HydrophobicContact CB-CE1 4.23Å; R47-Y412 HydrophobicContact CB-CE2 4.36Å; R47-Y412 HydrophobicContact CG-CD1 4.06Å; R47-Y412 HydrophobicContact CG-CD2 3.79Å; R47-Y412 HydrophobicContact CG-CE1 3.91Å; R47-Y412 HydrophobicContact CG-CE2 3.61Å; R47-Y412 HydrophobicContact CG-CG 3.99Å
48	G	97.3	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-160.8	-168.3	0	0	0	0	0	115.2	V79 W386 T387 F388	G48-V79 WeakPolarHBondContact CA-O 3.42Å; G48-W386 PolarHBondContact N-O 2.68Å; G48-W386 VanDerWaalsContact O-CE3 3.24Å; G48-W386 WeakPolarHBondContact O-CZ3 3.31Å; G48-T387 WeakPolarHBondContact O-CA 3.46Å; G48-F388 PolarHBondContact O-N 2.91Å
49	F	96	Very high	95.4	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167.8	-179.4	62.8	-78.9	0	0	0	111.8	N51 F72 L77 I80 R81 F388 F393	F49-N51 HydrophobicContact CE2-CB 4.14Å; F49-F72 HydrophobicContact CE1-CD1 4.29Å; F49-F72 AromaticContact CE1-CD2 3.79Å; F49-F72 HydrophobicContact CE1-CD2 3.79Å; F49-F72 HydrophobicContact CE1-CE1 4.3Å; F49-F72 AromaticContact CE1-CE2 3.81Å; F49-F72 HydrophobicContact CE1-CE2 3.81Å; F49-F72 HydrophobicContact CE1-CG 4.02Å; F49-F72 HydrophobicContact CE1-CZ 4.04Å; F49-F72 HydrophobicContact CE2-CE2 4.21Å; F49-F72 HydrophobicContact CE2-CZ 4.31Å; F49-F72 AromaticContact CZ-CD2 3.67Å; F49-F72 HydrophobicContact CZ-CD2 3.67Å; F49-F72 HydrophobicContact CZ-CE1 4.35Å; F49-F72 AromaticContact CZ-CE2 3.29Å; F49-F72 HydrophobicContact CZ-CE2 3.29Å; F49-F72 HydrophobicContact CZ-CG 4.34Å; F49-F72 AromaticContact CZ-CZ 3.65Å; F49-F72 HydrophobicContact CZ-CZ 3.65Å; F49-L77 HydrophobicContact CD1-CD1 3.94Å; F49-L77 HydrophobicContact CE1-CD1 4.09Å; F49-I80 HydrophobicContact CD1-CG1 4.38Å; F49-I80 HydrophobicContact CE1-CD1 4.01Å; F49-I80 HydrophobicContact CE1-CG1 3.79Å; F49-I80 HydrophobicContact CE2-CG1 4.48Å; F49-I80 HydrophobicContact CZ-CD1 3.69Å; F49-I80 HydrophobicContact CZ-CG1 3.82Å; F49-I80 WeakPolarHBondContact O-CA 3.48Å; F49-R81 PolarHBondContact O-N 3.35Å; F49-F388 CarbonylContact C-O 3.05Å; F49-F388 VanDerWaalsContact CA-O 3.3Å; F49-F388 WeakPolarHBondContact CA-O 3.31Å; F49-F393 HydrophobicContact CB-CE2 3.86Å; F49-F393 HydrophobicContact CB-CZ 4.48Å; F49-F393 HydrophobicContact CD1-CD2 4.4Å; F49-F393 AromaticContact CD1-CE2 3.89Å; F49-F393 HydrophobicContact CD1-CE2 3.89Å; F49-F393 AromaticContact CG-CE2 3.99Å; F49-F393 HydrophobicContact CG-CE2 3.99Å
50	N	96.8	Very high	95.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.3	173.7	-72.5	-90.5	0	0	0	109.9	R81 T353 T387 F388 W389 D390	N50-R81 CarbonylContact C-O 3.57Å; N50-R81 WeakPolarHBondContact CA-O 3.46Å; N50-R81 WeakPolarHBondContact OD1-CB 3.25Å; N50-R81 VanDerWaalsContact OD1-CD 3.23Å; N50-R81 WeakPolarHBondContact OD1-CD 3.48Å; N50-R81 VanDerWaalsContact OD1-CG 3.3Å; N50-R81 WeakPolarHBondContact OD1-CG 3.49Å; N50-R81 PolarHBondContact OD1-NH1 2.97Å; N50-T353 PolarHBondContact ND2-O 2.75Å; N50-T387 PolarHBondContact ND2-O 2.84Å; N50-F388 PolarHBondContact N-O 3.25Å; N50-F388 PolarHBondContact ND2-O 3.41Å; N50-F388 VanDerWaalsContact ND2-O 3.11Å; N50-W389 HydrophobicContact CB-CD2 4.47Å; N50-W389 HydrophobicContact CB-CE3 3.53Å; N50-W389 HydrophobicContact CB-CZ3 3.84Å; N50-D390 CarbonylContact O-C 3.58Å
51	N	95	Very high	95.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	94.1	169	-172.9	-22.3	0	0	0	107.8	F49 Q60 I80 R81 L82 G83 Y111	F49-N51 HydrophobicContact CE2-CB 4.14Å; N51-Q60 WeakPolarHBondContact OD1-CG 3.5Å; N51-Q60 PolarHBondContact OD1-NE2 3.33Å; N51-I80 HydrophobicContact CB-CG2 3.66Å; N51-R81 PolarHBondContact N-O 3.17Å; N51-L82 HydrophobicContact CB-CD1 4.3Å; N51-L82 WeakPolarHBondContact O-CA 3.42Å; N51-G83 PolarHBondContact O-N 3.08Å; N51-Y111 PolarHBondContact ND2-OH 2.9Å
52	V	95.2	Very high	95	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.091	19%	0.192	C	C	.	.			trans	-125	133.3	-175.7	179.6	0	0	0	0	108.9	K54 Q60 H123 W389	V52-K54 HydrophobicContact CG1-CG 4.13Å; V52-Q60 PolarHBondContact O-NE2 2.95Å; V52-H123 HydrophobicContact CG1-CB 3.93Å; V52-W389 HydrophobicContact CB-CH2 4.1Å; V52-W389 HydrophobicContact CB-CZ3 4.3Å; V52-W389 HydrophobicContact CG1-CH2 4.48Å; V52-W389 HydrophobicContact CG2-CH2 4.26Å; V52-W389 HydrophobicContact CG2-CZ3 3.96Å
53	Q	95.5	Very high	94.7	Very high	57 Å²	57	41.1 Å²	41.1	27%	0.266	19%	0.187	S	C	.	.			trans	-121.1	103.3	171.2	175.6	63.6	30.1	0	0	108.1	Y55 W58 Y59 Q60	Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 VanDerWaalsContact CG-O 3.31Å; Q53-Y55 WeakPolarHBondContact CG-O 3.36Å; Q53-Y55 PolarHBondContact NE2-O 3.36Å; Q53-Y55 PolarHBondContact O-N 3.08Å; Q53-W58 WeakPolarHBondContact O-CA 3.21Å; Q53-Y59 VanDerWaalsContact CB-C 3.49Å; Q53-Q60 HydrophobicContact CB-CG 3.95Å
54	K	95.4	Very high	94.4	Very high	36 Å²	36	45.2 Å²	45.2	16%	0.157	20%	0.202	C	C	.	.			trans	-68.6	-27.1	-171.4	-65.9	175.7	168.9	-165	0	113.5	V52 D125 Y134 E165	V52-K54 HydrophobicContact CG1-CG 4.13Å; K54-D125 WeakPolarHBondContact CE-OD2 3.36Å; K54-D125 IonicContact NZ-OD1 3.49Å; K54-D125 PolarHBondContact NZ-OD1 3.16Å; K54-D125 IonicContact NZ-OD2 2.75Å; K54-D125 PolarHBondContact NZ-OD2 3.39Å; K54-Y134 HydrophobicContact CB-CD1 3.91Å; K54-Y134 HydrophobicContact CB-CD2 4.06Å; K54-Y134 HydrophobicContact CB-CE1 3.81Å; K54-Y134 HydrophobicContact CB-CE2 3.98Å; K54-Y134 HydrophobicContact CB-CG 4.03Å; K54-Y134 HydrophobicContact CD-CD1 4.21Å; K54-Y134 HydrophobicContact CD-CE1 3.54Å; K54-Y134 HydrophobicContact CG-CD1 4.39Å; K54-Y134 HydrophobicContact CG-CE1 3.79Å; K54-Y134 HydrophobicContact CG-CE2 4.28Å; K54-Y134 VanDerWaalsContact O-CD2 3.23Å; K54-Y134 WeakPolarHBondContact O-CD2 3.36Å; K54-E165 IonicContact NZ-OE2 2.95Å; K54-E165 PolarHBondContact NZ-OE2 3.19Å
55	Y	94.9	Very high	94.1	Very high	118 Å²	118	47 Å²	47	46%	0.463	21%	0.213	S	C	.	.	S	Bend	trans	-112.7	161.4	-176.1	-61.1	-89.3	0	0	0	112.3	Q53 W58 Y134	Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 VanDerWaalsContact CG-O 3.31Å; Q53-Y55 WeakPolarHBondContact CG-O 3.36Å; Q53-Y55 PolarHBondContact NE2-O 3.36Å; Q53-Y55 PolarHBondContact O-N 3.08Å; Y55-W58 WeakPolarHBondContact O-CA 3.46Å; Y55-W58 PolarHBondContact O-N 2.83Å; Y55-Y134 VanDerWaalsContact CE1-CB 3.44Å; Y55-Y134 HydrophobicContact CE1-CG 4.48Å
56	F	94.6	Very high	93.9	Very high	156 Å²	156	51 Å²	51	68%	0.684	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	132.3	170	-178.5	-85.6	0	0	0	110.7	W58	F56-W58 HydrophobicContact CB-CD2 4.45Å; F56-W58 HydrophobicContact CB-CH2 4.47Å; F56-W58 HydrophobicContact CB-CZ2 4.16Å; F56-W58 HydrophobicContact CD2-CD2 4.35Å; F56-W58 AromaticContact CD2-CE3 3.79Å; F56-W58 HydrophobicContact CD2-CE3 3.79Å; F56-W58 AromaticContact CD2-CH2 3.42Å; F56-W58 HydrophobicContact CD2-CH2 3.42Å; F56-W58 VanDerWaalsContact CD2-CH2 3.42Å; F56-W58 AromaticContact CD2-CZ2 3.96Å; F56-W58 HydrophobicContact CD2-CZ2 3.96Å; F56-W58 AromaticContact CD2-CZ3 3.29Å; F56-W58 HydrophobicContact CD2-CZ3 3.29Å; F56-W58 HydrophobicContact CE2-CE3 4.33Å; F56-W58 HydrophobicContact CE2-CH2 4.11Å; F56-W58 AromaticContact CE2-CZ3 3.7Å; F56-W58 HydrophobicContact CE2-CZ3 3.7Å; F56-W58 HydrophobicContact CG-CH2 4.42Å; F56-W58 HydrophobicContact CG-CZ3 4.39Å
57	P	94.7	Very high	93.7	Very high	35 Å²	35	55.6 Å²	55.6	23%	0.227	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	14.9	12.9	37.1	-37.6	0	0	0	115.8	Y59	P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 HydrophobicContact CB-CD1 4.26Å; P57-Y59 HydrophobicContact CB-CE1 3.71Å; P57-Y59 HydrophobicContact CG-CD1 4.43Å; P57-Y59 HydrophobicContact CG-CE1 4.04Å; P57-Y59 WeakPolarHBondContact O-CD1 3.49Å; P57-Y59 WeakPolarHBondContact O-CE1 3.19Å; P57-Y59 PolarHBondContact O-N 2.81Å
58	W	95.3	Very high	93.4	Very high	42 Å²	42	56.1 Å²	56.1	16%	0.159	27%	0.265	C	S	.	.	S	Bend	trans	67.1	15.2	175.1	-47.4	-75	0	0	0	116.5	Q53 Y55 F56 M85 Y100	Q53-W58 WeakPolarHBondContact O-CA 3.21Å; Y55-W58 WeakPolarHBondContact O-CA 3.46Å; Y55-W58 PolarHBondContact O-N 2.83Å; F56-W58 HydrophobicContact CB-CD2 4.45Å; F56-W58 HydrophobicContact CB-CH2 4.47Å; F56-W58 HydrophobicContact CB-CZ2 4.16Å; F56-W58 HydrophobicContact CD2-CD2 4.35Å; F56-W58 AromaticContact CD2-CE3 3.79Å; F56-W58 HydrophobicContact CD2-CE3 3.79Å; F56-W58 AromaticContact CD2-CH2 3.42Å; F56-W58 HydrophobicContact CD2-CH2 3.42Å; F56-W58 VanDerWaalsContact CD2-CH2 3.42Å; F56-W58 AromaticContact CD2-CZ2 3.96Å; F56-W58 HydrophobicContact CD2-CZ2 3.96Å; F56-W58 AromaticContact CD2-CZ3 3.29Å; F56-W58 HydrophobicContact CD2-CZ3 3.29Å; F56-W58 HydrophobicContact CE2-CE3 4.33Å; F56-W58 HydrophobicContact CE2-CH2 4.11Å; F56-W58 AromaticContact CE2-CZ3 3.7Å; F56-W58 HydrophobicContact CE2-CZ3 3.7Å; F56-W58 HydrophobicContact CG-CH2 4.42Å; F56-W58 HydrophobicContact CG-CZ3 4.39Å; W58-M85 HydrophobicContact CB-CB 4.17Å; W58-M85 HydrophobicContact CB-CG 3.75Å; W58-M85 HydrophobicContact CG-CB 4.06Å; W58-M85 HydrophobicContact CG-CG 3.96Å; W58-Y100 HydrophobicContact CB-CD2 4.47Å; W58-Y100 HydrophobicContact CB-CE2 3.7Å; W58-Y100 HydrophobicContact CE3-CD2 4.39Å
59	Y	93.9	Very high	93.2	Very high	63 Å²	63	56.2 Å²	56.2	25%	0.247	27%	0.265	C	S	.	.	S	Bend	trans	-142.7	149	164.4	61.2	-87.3	0	0	0	108.1	Q53 P57 W64 V103 L107	Q53-Y59 VanDerWaalsContact CB-C 3.49Å; P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 HydrophobicContact CB-CD1 4.26Å; P57-Y59 HydrophobicContact CB-CE1 3.71Å; P57-Y59 HydrophobicContact CG-CD1 4.43Å; P57-Y59 HydrophobicContact CG-CE1 4.04Å; P57-Y59 WeakPolarHBondContact O-CD1 3.49Å; P57-Y59 WeakPolarHBondContact O-CE1 3.19Å; P57-Y59 PolarHBondContact O-N 2.81Å; Y59-W64 AromaticContact CD2-NE1 3.64Å; Y59-W64 AromaticContact CE2-NE1 3.52Å; Y59-V103 HydrophobicContact CD1-CG1 3.71Å; Y59-V103 HydrophobicContact CD2-CG1 4.5Å; Y59-V103 HydrophobicContact CE1-CG1 3.6Å; Y59-V103 HydrophobicContact CE2-CG1 4.42Å; Y59-V103 HydrophobicContact CG-CG1 4.17Å; Y59-L107 HydrophobicContact CG-CD1 4.47Å
60	Q	90.4	Very high	93.1	Very high	48 Å²	48	61 Å²	61	22%	0.224	29%	0.286	C	S	.	.			trans	-77.2	137.3	177.4	-56.7	-175.1	9.4	0	0	110	N51 V52 Q53 N62 A63	N51-Q60 WeakPolarHBondContact OD1-CG 3.5Å; N51-Q60 PolarHBondContact OD1-NE2 3.33Å; V52-Q60 PolarHBondContact O-NE2 2.95Å; Q53-Q60 HydrophobicContact CB-CG 3.95Å; Q60-N62 VanDerWaalsContact C-N 3.25Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.08Å; Q60-N62 PolarHBondContact O-N 2.9Å; Q60-N62 PolarHBondContact OE1-ND2 2.98Å; Q60-N62 PolarHBondContact OE1-OD1 2.76Å; Q60-A63 WeakPolarHBondContact O-CB 3.44Å; Q60-A63 PolarHBondContact O-N 2.9Å
61	E	87.6	Confident	92.9	Very high	166 Å²	166	62.6 Å²	62.6	78%	0.776	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-61.2	-35.1	-179.6	-67.4	-173.9	169.6	0	0	112.5	A63 W64	E61-A63 PolarHBondContact O-N 3.02Å; E61-W64 PolarHBondContact O-N 3.44Å
62	N	86.4	Confident	92.9	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.9	-13	176.6	67.3	-12.5	0	0	0	113.5	Q60 W64 N65	Q60-N62 VanDerWaalsContact C-N 3.25Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.08Å; Q60-N62 PolarHBondContact O-N 2.9Å; Q60-N62 PolarHBondContact OE1-ND2 2.98Å; Q60-N62 PolarHBondContact OE1-OD1 2.76Å; N62-W64 PolarHBondContact O-N 2.83Å; N62-W64 VanDerWaalsContact O-N 3.08Å; N62-N65 VanDerWaalsContact O-CB 3.28Å; N62-N65 WeakPolarHBondContact O-CB 2.96Å; N62-N65 PolarHBondContact O-N 2.94Å
63	A	88.3	Confident	92.8	Very high	3 Å²	3	65.6 Å²	65.6	3%	0.025	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.7	177.7	0	0	0	0	0	112.7	Q60 E61 L107	Q60-A63 WeakPolarHBondContact O-CB 3.44Å; Q60-A63 PolarHBondContact O-N 2.9Å; E61-A63 PolarHBondContact O-N 3.02Å; A63-L107 HydrophobicContact CB-CD1 4.25Å; A63-L107 HydrophobicContact CB-CD2 3.89Å
64	W	91.3	Very high	92.7	Very high	96 Å²	96	67.1 Å²	67.1	36%	0.364	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-89.1	-7.4	176.8	-61.6	97	0	0	0	114.3	Y59 E61 N62 I66 V103 L107 L110	Y59-W64 AromaticContact CD2-NE1 3.64Å; Y59-W64 AromaticContact CE2-NE1 3.52Å; E61-W64 PolarHBondContact O-N 3.44Å; N62-W64 PolarHBondContact O-N 2.83Å; N62-W64 VanDerWaalsContact O-N 3.08Å; W64-I66 PolarHBondContact O-N 3.2Å; W64-V103 HydrophobicContact CZ2-CG1 3.85Å; W64-L107 HydrophobicContact CD2-CD2 3.5Å; W64-L107 VanDerWaalsContact CD2-CD2 3.5Å; W64-L107 HydrophobicContact CD2-CG 4.32Å; W64-L107 VanDerWaalsContact CE2-CD2 3.44Å; W64-L107 HydrophobicContact CE3-CD2 3.72Å; W64-L107 HydrophobicContact CE3-CG 4.49Å; W64-L107 HydrophobicContact CG-CD2 4.07Å; W64-L107 HydrophobicContact CH2-CD2 3.9Å; W64-L107 HydrophobicContact CH2-CG 3.75Å; W64-L107 HydrophobicContact CZ2-CD1 4.09Å; W64-L107 HydrophobicContact CZ2-CD2 3.65Å; W64-L107 HydrophobicContact CZ2-CG 3.49Å; W64-L107 VanDerWaalsContact CZ2-CG 3.49Å; W64-L107 HydrophobicContact CZ3-CD2 3.92Å; W64-L107 HydrophobicContact CZ3-CG 4.24Å; W64-L110 HydrophobicContact CE3-CD2 4.27Å
65	N	92.7	Very high	92.7	Very high	67 Å²	67	66.2 Å²	66.2	36%	0.358	31%	0.312	S	S	.	.			trans	-73.8	98.2	-173.9	-176.6	-16.9	0	0	0	110.5	N62 T67 Q68 I69	N62-N65 VanDerWaalsContact O-CB 3.28Å; N62-N65 WeakPolarHBondContact O-CB 2.96Å; N62-N65 PolarHBondContact O-N 2.94Å; N65-T67 PolarHBondContact O-N 3.17Å; N65-T67 VanDerWaalsContact OD1-CB 3.29Å; N65-T67 WeakPolarHBondContact OD1-CB 3.29Å; N65-T67 PolarHBondContact OD1-N 2.77Å; N65-Q68 HydrophobicContact CB-CB 3.96Å; N65-Q68 WeakPolarHBondContact O-CA 3.36Å; N65-Q68 WeakPolarHBondContact O-CB 3.29Å; N65-Q68 PolarHBondContact O-N 2.92Å; N65-Q68 PolarHBondContact OD1-N 3.3Å; N65-I69 WeakPolarHBondContact O-CG1 3.33Å; N65-I69 PolarHBondContact O-N 2.78Å
66	I	94.2	Very high	92.7	Very high	84 Å²	84	60.7 Å²	60.7	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-56	-35.2	-179.8	-63.1	173.4	0	0	0	111.9	W64 I69 K70 L110	W64-I66 PolarHBondContact O-N 3.2Å; I66-I69 PolarHBondContact O-N 2.89Å; I66-K70 HydrophobicContact CG2-CD 4.06Å; I66-K70 HydrophobicContact CG2-CG 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.35Å; I66-K70 VanDerWaalsContact O-CG 3.31Å; I66-K70 WeakPolarHBondContact O-CG 3.32Å; I66-K70 PolarHBondContact O-N 2.9Å; I66-L110 HydrophobicContact CG1-CD1 4.42Å
67	T	93.4	Very high	92.8	Very high	97 Å²	97	53.6 Å²	53.6	60%	0.595	26%	0.26	S	S	*	.	H	α-helix	trans	-62.6	-45.2	177	-56.8	0	0	0	0	110.7	N65 K70 M71	N65-T67 PolarHBondContact O-N 3.17Å; N65-T67 VanDerWaalsContact OD1-CB 3.29Å; N65-T67 WeakPolarHBondContact OD1-CB 3.29Å; N65-T67 PolarHBondContact OD1-N 2.77Å; T67-K70 PolarHBondContact O-N 3.04Å; T67-M71 HydrophobicContact CG2-SD 4.49Å; T67-M71 VanDerWaalsContact O-CG 3.31Å; T67-M71 WeakPolarHBondContact O-CG 3.43Å; T67-M71 PolarHBondContact O-N 3.1Å
68	Q	92.5	Very high	92.9	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-42.6	176.1	162.6	169.6	-1.8	0	0	112.1	N65 K70 M71 F72 I394	N65-Q68 HydrophobicContact CB-CB 3.96Å; N65-Q68 WeakPolarHBondContact O-CA 3.36Å; N65-Q68 WeakPolarHBondContact O-CB 3.29Å; N65-Q68 PolarHBondContact O-N 2.92Å; N65-Q68 PolarHBondContact OD1-N 3.3Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 3.22Å; Q68-M71 WeakPolarHBondContact O-CB 3.41Å; Q68-M71 PolarHBondContact O-N 3.36Å; Q68-M71 VanDerWaalsContact O-N 3.1Å; Q68-F72 HydrophobicContact CG-CD2 4.11Å; Q68-F72 HydrophobicContact CG-CE1 4.17Å; Q68-F72 HydrophobicContact CG-CE2 3.35Å; Q68-F72 HydrophobicContact CG-CZ 3.42Å; Q68-F72 VanDerWaalsContact CG-CZ 3.42Å; Q68-F72 WeakPolarHBondContact O-CD2 3.45Å; Q68-F72 WeakPolarHBondContact O-CG 3.48Å; Q68-F72 PolarHBondContact O-N 3.49Å; Q68-I394 HydrophobicContact CB-CD1 4.04Å; Q68-I394 HydrophobicContact CG-CD1 3.53Å
69	I	93.5	Very high	93	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-60.8	173.3	0	0	0	111	N65 I66 M71 F72 Q73 L110 Y111 H114 I116	N65-I69 WeakPolarHBondContact O-CG1 3.33Å; N65-I69 PolarHBondContact O-N 2.78Å; I66-I69 PolarHBondContact O-N 2.89Å; I69-M71 VanDerWaalsContact C-N 3.28Å; I69-M71 PolarHBondContact O-N 3.42Å; I69-F72 WeakPolarHBondContact O-CB 3.43Å; I69-F72 PolarHBondContact O-N 2.89Å; I69-Q73 PolarHBondContact O-N 3.08Å; I69-L110 HydrophobicContact CD1-CD1 4.47Å; I69-L110 HydrophobicContact CD1-CD2 3.41Å; I69-L110 VanDerWaalsContact CD1-CD2 3.41Å; I69-L110 HydrophobicContact CD1-CG 3.65Å; I69-Y111 HydrophobicContact CD1-CD1 4.36Å; I69-Y111 HydrophobicContact CD1-CE1 4.06Å; I69-Y111 HydrophobicContact CG1-CE1 4.16Å; I69-Y111 HydrophobicContact CG2-CD1 4.46Å; I69-H114 HydrophobicContact CG2-CB 3.58Å; I69-H114 VanDerWaalsContact CG2-CG 3.41Å; I69-I116 HydrophobicContact CG2-CD1 4.03Å
70	K	93.7	Very high	93.2	Very high	105 Å²	105	47.6 Å²	47.6	46%	0.457	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-34	173.9	-75.2	176.6	178.1	178.4	0	112.4	I66 T67 Q68 N74	I66-K70 HydrophobicContact CG2-CD 4.06Å; I66-K70 HydrophobicContact CG2-CG 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.35Å; I66-K70 VanDerWaalsContact O-CG 3.31Å; I66-K70 WeakPolarHBondContact O-CG 3.32Å; I66-K70 PolarHBondContact O-N 2.9Å; T67-K70 PolarHBondContact O-N 3.04Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 3.22Å; K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.26Å; K70-N74 PolarHBondContact O-N 2.86Å; K70-N74 PolarHBondContact O-ND2 2.94Å
71	M	93.1	Very high	93.6	Very high	35 Å²	35	45.3 Å²	45.3	17%	0.172	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-47.1	171.9	-70	167.4	57.4	0	0	110.8	T67 Q68 I69 Q73 N74 W75 I394 P400	T67-M71 HydrophobicContact CG2-SD 4.49Å; T67-M71 VanDerWaalsContact O-CG 3.31Å; T67-M71 WeakPolarHBondContact O-CG 3.43Å; T67-M71 PolarHBondContact O-N 3.1Å; Q68-M71 WeakPolarHBondContact O-CB 3.41Å; Q68-M71 PolarHBondContact O-N 3.36Å; Q68-M71 VanDerWaalsContact O-N 3.1Å; I69-M71 VanDerWaalsContact C-N 3.28Å; I69-M71 PolarHBondContact O-N 3.42Å; M71-Q73 PolarHBondContact O-N 2.95Å; M71-N74 CarbonylContact O-C 3.56Å; M71-N74 PolarHBondContact O-N 3.05Å; M71-W75 HydrophobicContact CB-CH2 4.28Å; M71-W75 HydrophobicContact CB-CZ2 4.23Å; M71-W75 HydrophobicContact CB-CZ3 4.45Å; M71-W75 HydrophobicContact CE-CH2 3.37Å; M71-W75 HydrophobicContact CE-CZ2 3.48Å; M71-W75 VanDerWaalsContact CE-CZ2 3.48Å; M71-W75 HydrophobicContact CE-CZ3 4.35Å; M71-W75 WeakPolarHBondContact O-CB 3.19Å; M71-W75 PolarHBondContact O-N 2.87Å; M71-I394 HydrophobicContact CE-CD1 3.84Å; M71-I394 HydrophobicContact CE-CG1 3.99Å; M71-I394 HydrophobicContact SD-CD1 4.39Å; M71-P400 HydrophobicContact CE-CB 4.29Å; M71-P400 HydrophobicContact CE-CG 3.66Å
72	F	93.7	Very high	94.1	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-44.9	176.5	-58.9	-30.1	0	0	0	112.6	F49 Q68 I69 N74 W75 G76 L77 I116 F393 I394	F49-F72 HydrophobicContact CE1-CD1 4.29Å; F49-F72 AromaticContact CE1-CD2 3.79Å; F49-F72 HydrophobicContact CE1-CD2 3.79Å; F49-F72 HydrophobicContact CE1-CE1 4.3Å; F49-F72 AromaticContact CE1-CE2 3.81Å; F49-F72 HydrophobicContact CE1-CE2 3.81Å; F49-F72 HydrophobicContact CE1-CG 4.02Å; F49-F72 HydrophobicContact CE1-CZ 4.04Å; F49-F72 HydrophobicContact CE2-CE2 4.21Å; F49-F72 HydrophobicContact CE2-CZ 4.31Å; F49-F72 AromaticContact CZ-CD2 3.67Å; F49-F72 HydrophobicContact CZ-CD2 3.67Å; F49-F72 HydrophobicContact CZ-CE1 4.35Å; F49-F72 AromaticContact CZ-CE2 3.29Å; F49-F72 HydrophobicContact CZ-CE2 3.29Å; F49-F72 HydrophobicContact CZ-CG 4.34Å; F49-F72 AromaticContact CZ-CZ 3.65Å; F49-F72 HydrophobicContact CZ-CZ 3.65Å; Q68-F72 HydrophobicContact CG-CD2 4.11Å; Q68-F72 HydrophobicContact CG-CE1 4.17Å; Q68-F72 HydrophobicContact CG-CE2 3.35Å; Q68-F72 HydrophobicContact CG-CZ 3.42Å; Q68-F72 VanDerWaalsContact CG-CZ 3.42Å; Q68-F72 WeakPolarHBondContact O-CD2 3.45Å; Q68-F72 WeakPolarHBondContact O-CG 3.48Å; Q68-F72 PolarHBondContact O-N 3.49Å; I69-F72 WeakPolarHBondContact O-CB 3.43Å; I69-F72 PolarHBondContact O-N 2.89Å; F72-N74 PolarHBondContact O-N 3.18Å; F72-W75 AromaticContact CD1-CE3 3.81Å; F72-W75 HydrophobicContact CD1-CE3 3.81Å; F72-W75 AromaticContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CE1-CE3 4.34Å; F72-W75 AromaticContact CE1-CZ3 3.93Å; F72-W75 HydrophobicContact CE1-CZ3 3.93Å; F72-W75 CarbonylContact O-C 3.59Å; F72-W75 PolarHBondContact O-N 3.35Å; F72-G76 PolarHBondContact O-N 3.25Å; F72-L77 HydrophobicContact CB-CB 4.32Å; F72-L77 HydrophobicContact CB-CD1 4.12Å; F72-L77 HydrophobicContact CD1-CD1 3.95Å; F72-L77 HydrophobicContact CG-CD1 4.27Å; F72-L77 WeakPolarHBondContact O-CB 3.43Å; F72-L77 PolarHBondContact O-N 2.86Å; F72-I116 HydrophobicContact CB-CD1 4.44Å; F72-F393 HydrophobicContact CE1-CD2 4.27Å; F72-I394 HydrophobicContact CD1-CD1 4.49Å; F72-I394 HydrophobicContact CE1-CD1 3.61Å; F72-I394 HydrophobicContact CE1-CG1 4.29Å; F72-I394 HydrophobicContact CZ-CD1 3.87Å
73	Q	92.7	Very high	94.6	Very high	82 Å²	82	34.7 Å²	34.7	38%	0.383	17%	0.172	S	C	.	.	H	α-helix	trans	-59.2	-46.7	173.8	-176.7	-176.9	40.2	0	0	111.5	I69 M71 W75 G76 H114	I69-Q73 PolarHBondContact O-N 3.08Å; M71-Q73 PolarHBondContact O-N 2.95Å; Q73-W75 PolarHBondContact O-N 3.47Å; Q73-G76 PolarHBondContact O-N 3.4Å; Q73-H114 WeakPolarHBondContact CG-O 3.29Å; Q73-H114 PolarHBondContact NE2-O 2.91Å
74	N	93.7	Very high	95.1	Very high	89 Å²	89	34.6 Å²	34.6	48%	0.476	17%	0.171	S	C	.	.	H	α-helix	trans	-65	-29.3	177.8	-76.5	-22.5	0	0	0	112.7	K70 M71 F72 G76 Y456 N483	K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.26Å; K70-N74 PolarHBondContact O-N 2.86Å; K70-N74 PolarHBondContact O-ND2 2.94Å; M71-N74 CarbonylContact O-C 3.56Å; M71-N74 PolarHBondContact O-N 3.05Å; F72-N74 PolarHBondContact O-N 3.18Å; N74-G76 PolarHBondContact O-N 2.81Å; N74-Y456 VanDerWaalsContact O-CE2 3.31Å; N74-Y456 WeakPolarHBondContact O-CE2 3.42Å; N74-Y456 PolarHBondContact O-OH 3Å; N74-N483 PolarHBondContact O-ND2 3.04Å
75	W	95.2	Very high	95.4	Very high	17 Å²	17	30 Å²	30	6%	0.064	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	5	172.1	-65.7	-17.9	0	0	0	113.6	M71 F72 Q73 L77 F393 I394 P400 V405 I409 Y456	M71-W75 HydrophobicContact CB-CH2 4.28Å; M71-W75 HydrophobicContact CB-CZ2 4.23Å; M71-W75 HydrophobicContact CB-CZ3 4.45Å; M71-W75 HydrophobicContact CE-CH2 3.37Å; M71-W75 HydrophobicContact CE-CZ2 3.48Å; M71-W75 VanDerWaalsContact CE-CZ2 3.48Å; M71-W75 HydrophobicContact CE-CZ3 4.35Å; M71-W75 WeakPolarHBondContact O-CB 3.19Å; M71-W75 PolarHBondContact O-N 2.87Å; F72-W75 AromaticContact CD1-CE3 3.81Å; F72-W75 HydrophobicContact CD1-CE3 3.81Å; F72-W75 AromaticContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CE1-CE3 4.34Å; F72-W75 AromaticContact CE1-CZ3 3.93Å; F72-W75 HydrophobicContact CE1-CZ3 3.93Å; F72-W75 CarbonylContact O-C 3.59Å; F72-W75 PolarHBondContact O-N 3.35Å; Q73-W75 PolarHBondContact O-N 3.47Å; W75-L77 HydrophobicContact CB-CG 4.36Å; W75-L77 PolarHBondContact O-N 2.99Å; W75-F393 HydrophobicContact CE3-CB 4.35Å; W75-F393 HydrophobicContact CH2-CB 4.24Å; W75-F393 HydrophobicContact CZ3-CB 3.56Å; W75-F393 HydrophobicContact CZ3-CG 4.36Å; W75-I394 HydrophobicContact CH2-CD1 4.33Å; W75-I394 HydrophobicContact CH2-CG1 3.89Å; W75-I394 HydrophobicContact CZ3-CD1 4.34Å; W75-I394 HydrophobicContact CZ3-CG1 4.09Å; W75-P400 HydrophobicContact CH2-CB 3.81Å; W75-P400 HydrophobicContact CH2-CG 4.3Å; W75-P400 HydrophobicContact CZ2-CB 3.63Å; W75-P400 HydrophobicContact CZ2-CG 3.87Å; W75-V405 HydrophobicContact CH2-CG2 3.71Å; W75-V405 HydrophobicContact CZ2-CG1 4.34Å; W75-V405 HydrophobicContact CZ2-CG2 3.77Å; W75-V405 HydrophobicContact CZ3-CG2 4.13Å; W75-I409 HydrophobicContact CB-CD1 3.66Å; W75-I409 HydrophobicContact CB-CG1 3.85Å; W75-I409 HydrophobicContact CB-CG2 3.92Å; W75-I409 HydrophobicContact CD2-CG1 4.31Å; W75-I409 HydrophobicContact CG-CD1 4.22Å; W75-I409 HydrophobicContact CG-CG1 3.96Å; W75-I409 HydrophobicContact CG-CG2 4.29Å; W75-I409 WeakPolarHBondContact O-CG2 3.38Å; W75-Y456 WeakPolarHBondContact CA-OH 3.45Å; W75-Y456 WeakPolarHBondContact O-CE1 3.37Å; W75-Y456 PolarHBondContact O-OH 3.09Å
76	G	95.8	Very high	95.7	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	13	176.6	0	0	0	0	0	113.4	F72 Q73 N74 N78 Y412 Q414 Y456	F72-G76 PolarHBondContact O-N 3.25Å; Q73-G76 PolarHBondContact O-N 3.4Å; N74-G76 PolarHBondContact O-N 2.81Å; G76-N78 PolarHBondContact O-N 3.14Å; G76-Y412 WeakPolarHBondContact O-CE1 3.3Å; G76-Y412 PolarHBondContact O-OH 2.88Å; G76-Q414 PolarHBondContact O-NE2 2.74Å; G76-Y456 VanDerWaalsContact CA-CE2 3.44Å
77	L	96.3	Very high	95.8	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	12%	0.12	C	C	.	.			trans	-70.4	128.2	172.7	-57.8	177.1	0	0	0	108.5	R47 F49 F72 W75 F393 I409	R47-L77 WeakPolarHBondContact O-CA 3.26Å; F49-L77 HydrophobicContact CD1-CD1 3.94Å; F49-L77 HydrophobicContact CE1-CD1 4.09Å; F72-L77 HydrophobicContact CB-CB 4.32Å; F72-L77 HydrophobicContact CB-CD1 4.12Å; F72-L77 HydrophobicContact CD1-CD1 3.95Å; F72-L77 HydrophobicContact CG-CD1 4.27Å; F72-L77 WeakPolarHBondContact O-CB 3.43Å; F72-L77 PolarHBondContact O-N 2.86Å; W75-L77 HydrophobicContact CB-CG 4.36Å; W75-L77 PolarHBondContact O-N 2.99Å; L77-F393 HydrophobicContact CD1-CD2 4.1Å; L77-F393 HydrophobicContact CD1-CE2 3.87Å; L77-I409 HydrophobicContact CD1-CD1 4.43Å; L77-I409 HydrophobicContact CD2-CD1 3.91Å; L77-I409 HydrophobicContact CG-CD1 4.18Å
78	N	97.4	Very high	96	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.064	9%	0.091	C	C	.	.			trans	-127.3	6.2	-170.8	69.2	-3.2	0	0	0	113.6	L45 F46 R47 G76 Y117 Y412	L45-N78 PolarHBondContact O-ND2 3.13Å; F46-N78 WeakPolarHBondContact CA-OD1 3.47Å; R47-N78 PolarHBondContact N-OD1 2.85Å; R47-N78 PolarHBondContact O-N 2.69Å; R47-N78 PolarHBondContact O-OD1 3.06Å; G76-N78 PolarHBondContact O-N 3.14Å; N78-Y117 PolarHBondContact O-N 2.85Å; N78-Y412 VanDerWaalsContact CG-OH 3.31Å; N78-Y412 PolarHBondContact ND2-OH 3.41Å
79	V	98.3	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.2	174.9	68.7	0	0	0	0	110.8	F46 G48 Y117 I119 L210 F351 T387	F46-V79 HydrophobicContact CB-CB 4.03Å; F46-V79 HydrophobicContact CB-CG1 3.73Å; F46-V79 HydrophobicContact CD1-CB 4.17Å; F46-V79 HydrophobicContact CG-CB 4.44Å; G48-V79 WeakPolarHBondContact CA-O 3.42Å; V79-Y117 CarbonylContact C-O 3.56Å; V79-Y117 VanDerWaalsContact CA-O 3.26Å; V79-Y117 WeakPolarHBondContact CA-O 3.47Å; V79-I119 HydrophobicContact CG2-CD1 4.11Å; V79-I119 HydrophobicContact CG2-CG1 4.08Å; V79-L210 HydrophobicContact CG2-CD2 4.13Å; V79-F351 HydrophobicContact CG1-CZ 4.09Å; V79-F351 HydrophobicContact CG2-CZ 4.46Å; V79-T387 HydrophobicContact CG1-CG2 3.75Å
80	I	97.4	Very high	96.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.7	167.9	-68	172.6	0	0	0	108.1	F49 N51 L82 Y111 I116 Y117 V118 I119	F49-I80 HydrophobicContact CD1-CG1 4.38Å; F49-I80 HydrophobicContact CE1-CD1 4.01Å; F49-I80 HydrophobicContact CE1-CG1 3.79Å; F49-I80 HydrophobicContact CE2-CG1 4.48Å; F49-I80 HydrophobicContact CZ-CD1 3.69Å; F49-I80 HydrophobicContact CZ-CG1 3.82Å; F49-I80 WeakPolarHBondContact O-CA 3.48Å; N51-I80 HydrophobicContact CB-CG2 3.66Å; I80-L82 HydrophobicContact CG2-CB 4.24Å; I80-L82 PolarHBondContact O-N 2.98Å; I80-Y111 HydrophobicContact CD1-CD1 3.7Å; I80-Y111 HydrophobicContact CD1-CD2 4.45Å; I80-Y111 HydrophobicContact CD1-CE1 3.31Å; I80-Y111 HydrophobicContact CD1-CE2 4.11Å; I80-Y111 HydrophobicContact CD1-CG 4.27Å; I80-I116 HydrophobicContact CB-CG2 4.34Å; I80-I116 HydrophobicContact CD1-CG2 3.86Å; I80-I116 HydrophobicContact CG1-CG2 3.78Å; I80-Y117 PolarHBondContact N-O 3.05Å; I80-V118 CarbonylContact O-C 3.39Å; I80-V118 VanDerWaalsContact O-CA 3.3Å; I80-V118 WeakPolarHBondContact O-CA 3.43Å; I80-I119 PolarHBondContact O-N 3.27Å
81	R	98.3	Very high	96.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	99.1	165.3	-178.9	163.7	175.9	-91.3	13.1	107.6	F49 N50 N51 I119 D121 D213 N216 E263 E354 T387	F49-R81 PolarHBondContact O-N 3.35Å; N50-R81 CarbonylContact C-O 3.57Å; N50-R81 WeakPolarHBondContact CA-O 3.46Å; N50-R81 WeakPolarHBondContact OD1-CB 3.25Å; N50-R81 VanDerWaalsContact OD1-CD 3.23Å; N50-R81 WeakPolarHBondContact OD1-CD 3.48Å; N50-R81 VanDerWaalsContact OD1-CG 3.3Å; N50-R81 WeakPolarHBondContact OD1-CG 3.49Å; N50-R81 PolarHBondContact OD1-NH1 2.97Å; N51-R81 PolarHBondContact N-O 3.17Å; R81-I119 CarbonylContact C-O 3.33Å; R81-I119 HydrophobicContact CB-CB 4.36Å; R81-I119 HydrophobicContact CG-CB 4.36Å; R81-I119 HydrophobicContact CG-CG2 4.41Å; R81-D121 HydrophobicContact CG-CB 3.78Å; R81-D121 IonicContact CZ-OD1 3.04Å; R81-D121 IonicContact CZ-OD2 2.63Å; R81-D121 VanDerWaalsContact CZ-OD2 3.26Å; R81-D121 IonicContact NE-OD2 3.41Å; R81-D121 IonicContact NH1-OD2 3.65Å; R81-D121 PolarHBondContact NH1-OD2 3.46Å; R81-D121 VanDerWaalsContact NH1-OD2 3.17Å; R81-D121 IonicContact NH2-OD1 3.79Å; R81-D121 PolarHBondContact NH2-OD1 3.25Å; R81-D121 IonicContact NH2-OD2 2.67Å; R81-D213 IonicContact CZ-OD2 2.71Å; R81-D213 IonicContact NE-OD2 3.79Å; R81-D213 PolarHBondContact NE-OD2 3.21Å; R81-D213 IonicContact NH2-OD2 3.17Å; R81-D213 PolarHBondContact NH2-OD2 2.95Å; R81-N216 PolarHBondContact NH2-OD1 2.94Å; R81-E263 IonicContact NH2-OE1 3.03Å; R81-E263 PolarHBondContact NH2-OE1 2.99Å; R81-E354 IonicContact CZ-OE1 3.6Å; R81-E354 IonicContact NH1-OE1 3.23Å; R81-E354 PolarHBondContact NH1-OE1 3.39Å; R81-E354 IonicContact NH2-OE1 2.94Å; R81-T387 HydrophobicContact CB-CG2 4.1Å
82	L	97.7	Very high	96.8	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.9	-170.8	-179	64.6	0	0	0	109.4	N51 I80 I84 M104 I108 Y111 I119 L120 D121	N51-L82 HydrophobicContact CB-CD1 4.3Å; N51-L82 WeakPolarHBondContact O-CA 3.42Å; I80-L82 HydrophobicContact CG2-CB 4.24Å; I80-L82 PolarHBondContact O-N 2.98Å; L82-I84 PolarHBondContact O-N 2.91Å; L82-M104 HydrophobicContact CD1-CE 4.08Å; L82-M104 HydrophobicContact CD2-CE 3.62Å; L82-M104 HydrophobicContact CG-CE 3.67Å; L82-I108 HydrophobicContact CD2-CG1 4.13Å; L82-Y111 HydrophobicContact CD1-CE2 4.38Å; L82-Y111 HydrophobicContact CD2-CE2 4.25Å; L82-I119 PolarHBondContact N-O 3.16Å; L82-L120 HydrophobicContact CB-CD2 4.44Å; L82-L120 HydrophobicContact CD2-CD2 4.21Å; L82-D121 PolarHBondContact O-N 2.99Å
83	G	97.7	Very high	96.9	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.5	177.4	0	0	0	0	0	111.6	N51 M104	N51-G83 PolarHBondContact O-N 3.08Å; G83-M104 VanDerWaalsContact O-CE 3.3Å; G83-M104 WeakPolarHBondContact O-CE 3.34Å
84	I	98.1	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.			trans	-124.6	99.4	172.6	-170.7	151.9	0	0	0	110.2	L82 W86 V89 Y100 L120 D121 F195 I199 Y203	L82-I84 PolarHBondContact O-N 2.91Å; I84-W86 PolarHBondContact O-N 3.45Å; I84-V89 HydrophobicContact CD1-CG2 4.47Å; I84-V89 HydrophobicContact CG1-CG2 4.02Å; I84-Y100 HydrophobicContact CG1-CE1 4.2Å; I84-L120 HydrophobicContact CG2-CB 3.87Å; I84-D121 WeakPolarHBondContact CG2-O 3.12Å; I84-D121 PolarHBondContact N-O 3.36Å; I84-F195 HydrophobicContact CG1-CZ 4.5Å; I84-F195 HydrophobicContact CG2-CZ 4.18Å; I84-I199 HydrophobicContact CD1-CD1 3.32Å; I84-I199 HydrophobicContact CD1-CG1 4.16Å; I84-I199 HydrophobicContact CG1-CD1 4Å; I84-Y203 HydrophobicContact CD1-CD2 4.49Å; I84-Y203 HydrophobicContact CD1-CE2 3.69Å
85	M	98.1	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.			trans	-77.6	130.1	-167.2	-54.2	-51.3	-62.8	0	0	110.9	W58 S87 G88 V89 Y100 H123 Y134	W58-M85 HydrophobicContact CB-CB 4.17Å; W58-M85 HydrophobicContact CB-CG 3.75Å; W58-M85 HydrophobicContact CG-CB 4.06Å; W58-M85 HydrophobicContact CG-CG 3.96Å; M85-S87 VanDerWaalsContact C-N 3.28Å; M85-S87 PolarHBondContact O-N 3.01Å; M85-G88 WeakPolarHBondContact O-CA 3.27Å; M85-G88 PolarHBondContact O-N 2.77Å; M85-V89 PolarHBondContact O-N 2.71Å; M85-Y100 PolarHBondContact N-OH 2.96Å; M85-Y100 VanDerWaalsContact N-OH 3.16Å; M85-H123 HydrophobicContact CE-CB 4.28Å; M85-H123 WeakPolarHBondContact CE-O 3.16Å; M85-H123 HydrophobicContact SD-CB 3.89Å; M85-Y134 HydrophobicContact CE-CD2 4.08Å; M85-Y134 HydrophobicContact CE-CE2 3.4Å
86	W	98.5	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-43.4	176.3	-170.9	-9.2	0	0	0	110.9	I84 G88 V89 K90 M122 G136 I137 P138 L141 H191 W192 F195	I84-W86 PolarHBondContact O-N 3.45Å; W86-G88 PolarHBondContact O-N 2.79Å; W86-V89 PolarHBondContact O-N 3.17Å; W86-K90 PolarHBondContact O-N 3.47Å; W86-M122 HydrophobicContact CB-CG 4.34Å; W86-M122 HydrophobicContact CD2-SD 4.5Å; W86-M122 HydrophobicContact CE3-CE 4.28Å; W86-M122 HydrophobicContact CE3-SD 3.68Å; W86-M122 HydrophobicContact CZ3-SD 4.34Å; W86-G136 WeakPolarHBondContact CB-O 3.17Å; W86-I137 HydrophobicContact CE3-CD1 3.84Å; W86-I137 HydrophobicContact CZ3-CD1 3.88Å; W86-I137 HydrophobicContact CZ3-CG2 4.33Å; W86-P138 HydrophobicContact CB-CG 4.11Å; W86-P138 VanDerWaalsContact CD2-CD 3.5Å; W86-P138 HydrophobicContact CD2-CG 3.96Å; W86-P138 HydrophobicContact CG-CG 3.6Å; W86-L141 HydrophobicContact CH2-CD2 3.62Å; W86-L141 HydrophobicContact CZ2-CD2 3.9Å; W86-L141 HydrophobicContact CZ3-CD2 4.44Å; W86-H191 HydrophobicContact CZ2-CB 3.88Å; W86-H191 WeakPolarHBondContact CZ2-O 3.47Å; W86-W192 HydrophobicContact CH2-CB 3.41Å; W86-W192 VanDerWaalsContact CH2-CB 3.41Å; W86-W192 AromaticContact CH2-CG 3.78Å; W86-W192 HydrophobicContact CH2-CG 3.78Å; W86-W192 VanDerWaalsContact CZ2-CA 3.48Å; W86-W192 HydrophobicContact CZ2-CB 4.07Å; W86-W192 HydrophobicContact CZ3-CB 3.88Å; W86-W192 AromaticContact CZ3-CD1 3.79Å; W86-W192 HydrophobicContact CZ3-CD2 4.16Å; W86-W192 AromaticContact CZ3-CG 3.69Å; W86-W192 HydrophobicContact CZ3-CG 3.69Å; W86-F195 HydrophobicContact CB-CD2 4.01Å; W86-F195 HydrophobicContact CB-CE2 4.06Å; W86-F195 HydrophobicContact CB-CG 4.48Å; W86-F195 AromaticContact CD1-CD2 3.65Å; W86-F195 AromaticContact CD1-CG 3.93Å; W86-F195 HydrophobicContact CD2-CB 4.31Å; W86-F195 HydrophobicContact CD2-CG 4.38Å; W86-F195 HydrophobicContact CG-CB 4.25Å; W86-F195 AromaticContact CG-CD2 3.84Å; W86-F195 HydrophobicContact CG-CD2 3.84Å; W86-F195 HydrophobicContact CG-CE2 4.39Å; W86-F195 HydrophobicContact CG-CG 4.03Å
87	S	97.7	Very high	97.4	Very high	10 Å²	10	25.6 Å²	25.6	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-27.1	173.7	-62	0	0	0	0	113.9	M85 P91 D135 P138	M85-S87 VanDerWaalsContact C-N 3.28Å; M85-S87 PolarHBondContact O-N 3.01Å; S87-P91 VanDerWaalsContact O-CA 3.26Å; S87-P91 WeakPolarHBondContact O-CA 3.44Å; S87-D135 WeakPolarHBondContact CB-O 3.44Å; S87-D135 WeakPolarHBondContact OG-CB 3.41Å; S87-D135 PolarHBondContact OG-O 2.86Å; S87-P138 WeakPolarHBondContact OG-CA 3.3Å
88	G	97.7	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-45.3	172.6	0	0	0	0	0	111.9	M85 W86 N97 Y100	M85-G88 WeakPolarHBondContact O-CA 3.27Å; M85-G88 PolarHBondContact O-N 2.77Å; W86-G88 PolarHBondContact O-N 2.79Å; G88-N97 WeakPolarHBondContact O-CB 3.49Å; G88-N97 PolarHBondContact O-ND2 2.71Å; G88-N97 VanDerWaalsContact O-ND2 3.09Å; G88-Y100 WeakPolarHBondContact O-CD1 3.13Å
89	V	98.5	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74.3	-43.3	-179.4	178.7	0	0	0	0	112.5	I84 M85 W86 V96 N97 Y100 L101 F195 I198 I199	I84-V89 HydrophobicContact CD1-CG2 4.47Å; I84-V89 HydrophobicContact CG1-CG2 4.02Å; M85-V89 PolarHBondContact O-N 2.71Å; W86-V89 PolarHBondContact O-N 3.17Å; V89-V96 WeakPolarHBondContact O-CA 3.42Å; V89-N97 PolarHBondContact O-N 2.92Å; V89-Y100 HydrophobicContact CG2-CD1 3.95Å; V89-Y100 HydrophobicContact CG2-CE1 3.71Å; V89-L101 HydrophobicContact CG1-CD2 4.16Å; V89-L101 HydrophobicContact CG2-CD2 4.1Å; V89-F195 HydrophobicContact CB-CD2 3.8Å; V89-F195 HydrophobicContact CB-CE2 3.83Å; V89-F195 HydrophobicContact CG1-CD2 4.01Å; V89-F195 HydrophobicContact CG1-CE2 4.35Å; V89-F195 HydrophobicContact CG2-CD2 4.01Å; V89-F195 HydrophobicContact CG2-CE2 3.52Å; V89-I198 HydrophobicContact CG1-CB 4.32Å; V89-I198 HydrophobicContact CG1-CD1 4.32Å; V89-I198 HydrophobicContact CG1-CG2 3.79Å; V89-I199 HydrophobicContact CG1-CD1 4.37Å; V89-I199 HydrophobicContact CG2-CD1 3.84Å
90	K	98	Very high	97.4	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.057	20%	0.2	C	C	.	.			trans	-128	78.7	-179.6	-69.9	-166.8	65.4	121.6	0	110.5	W86 N92 I93 I95 W140 I198	W86-K90 PolarHBondContact O-N 3.47Å; K90-N92 PolarHBondContact O-N 3.18Å; K90-N92 VanDerWaalsContact O-N 3.16Å; K90-I93 VanDerWaalsContact CE-O 3.24Å; K90-I93 WeakPolarHBondContact CE-O 3.24Å; K90-I93 PolarHBondContact NZ-O 2.96Å; K90-I95 WeakPolarHBondContact CA-O 3.35Å; K90-W140 HydrophobicContact CB-CZ2 4.32Å; K90-W140 PolarHBondContact O-NE1 3.47Å; K90-I198 HydrophobicContact CD-CD1 3.91Å; K90-I198 HydrophobicContact CG-CD1 4.05Å
91	P	96.9	Very high	97.5	Very high	61 Å²	61	34.1 Å²	34.1	40%	0.396	20%	0.202	S	C	.	.	S	Bend	trans	-64.4	-19.1	177.5	26.4	-35.5	0	0	0	112.8	S87 I95 N97	S87-P91 VanDerWaalsContact O-CA 3.26Å; S87-P91 WeakPolarHBondContact O-CA 3.44Å; P91-I95 HydrophobicContact CG-CG2 4.33Å; P91-N97 HydrophobicContact CG-CB 4.21Å
92	N	95.2	Very high	97.4	Very high	76 Å²	76	38 Å²	38	41%	0.406	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-145	160.5	171.8	-165.8	-17.1	0	0	0	109.5	K90 S94 I95	K90-N92 PolarHBondContact O-N 3.18Å; K90-N92 VanDerWaalsContact O-N 3.16Å; N92-S94 VanDerWaalsContact C-N 3.25Å; N92-S94 PolarHBondContact O-N 3.29Å; N92-S94 VanDerWaalsContact O-N 3.16Å; N92-I95 HydrophobicContact CB-CB 4.4Å; N92-I95 HydrophobicContact CB-CD1 4.34Å; N92-I95 HydrophobicContact CB-CG1 4.44Å; N92-I95 PolarHBondContact O-N 2.79Å
93	I	95.1	Very high	97.4	Very high	58 Å²	58	39.4 Å²	39.4	30%	0.297	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.4	-177.1	-165.4	170.9	0	0	0	113.2	K90 W140	K90-I93 VanDerWaalsContact CE-O 3.24Å; K90-I93 WeakPolarHBondContact CE-O 3.24Å; K90-I93 PolarHBondContact NZ-O 2.96Å; I93-W140 HydrophobicContact CB-CD2 4.19Å; I93-W140 HydrophobicContact CB-CE3 3.77Å; I93-W140 HydrophobicContact CB-CH2 4.36Å; I93-W140 HydrophobicContact CB-CZ3 3.87Å; I93-W140 HydrophobicContact CD1-CE3 4.4Å; I93-W140 HydrophobicContact CD1-CZ3 4.12Å; I93-W140 HydrophobicContact CG1-CE3 4.1Å; I93-W140 HydrophobicContact CG1-CH2 4.23Å; I93-W140 HydrophobicContact CG1-CZ3 3.72Å
94	S	94.7	Very high	97.4	Very high	108 Å²	108	39.2 Å²	39.2	76%	0.755	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.6	-174.8	-53.8	0	0	0	0	114.7	N92	N92-S94 VanDerWaalsContact C-N 3.25Å; N92-S94 PolarHBondContact O-N 3.29Å; N92-S94 VanDerWaalsContact O-N 3.16Å
95	I	96.7	Very high	97.4	Very high	93 Å²	93	41.8 Å²	41.8	48%	0.477	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-114.2	124	-173.1	-60.5	176.3	0	0	0	109.4	K90 P91 N92	K90-I95 WeakPolarHBondContact CA-O 3.35Å; P91-I95 HydrophobicContact CG-CG2 4.33Å; N92-I95 HydrophobicContact CB-CB 4.4Å; N92-I95 HydrophobicContact CB-CD1 4.34Å; N92-I95 HydrophobicContact CB-CG1 4.44Å; N92-I95 PolarHBondContact O-N 2.79Å
96	V	98.1	Very high	97.4	Very high	56 Å²	56	44.7 Å²	44.7	34%	0.339	26%	0.262	S	S	.	.			trans	-96.6	123.8	165.4	-178.4	0	0	0	0	107.7	V89 T98 L101 I198	V89-V96 WeakPolarHBondContact O-CA 3.42Å; V96-T98 PolarHBondContact O-N 2.85Å; V96-L101 HydrophobicContact CG1-CD1 3.59Å; V96-I198 HydrophobicContact CB-CD1 4.46Å; V96-I198 HydrophobicContact CG1-CD1 4.1Å; V96-I198 HydrophobicContact CG1-CG2 3.93Å; V96-I198 HydrophobicContact CG2-CD1 3.54Å; V96-I198 HydrophobicContact CG2-CG1 4.34Å
97	N	98.2	Very high	97.3	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	26%	0.262	C	S	.	.			trans	-81.4	83.7	-179.6	-173.6	-5.5	0	0	0	110.5	G88 V89 P91 T99 Y100 L101	G88-N97 WeakPolarHBondContact O-CB 3.49Å; G88-N97 PolarHBondContact O-ND2 2.71Å; G88-N97 VanDerWaalsContact O-ND2 3.09Å; V89-N97 PolarHBondContact O-N 2.92Å; P91-N97 HydrophobicContact CG-CB 4.21Å; N97-T99 PolarHBondContact O-N 2.92Å; N97-T99 PolarHBondContact OD1-N 3.2Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.34Å; N97-Y100 PolarHBondContact O-N 2.86Å; N97-Y100 PolarHBondContact OD1-N 2.86Å; N97-Y100 VanDerWaalsContact OD1-N 3.1Å; N97-L101 WeakPolarHBondContact O-CG 3.23Å; N97-L101 PolarHBondContact O-N 2.82Å; N97-L101 VanDerWaalsContact O-N 3.11Å
98	T	97.7	Very high	97.3	Very high	87 Å²	87	44.3 Å²	44.3	53%	0.534	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-28.2	179.5	54.8	0	0	0	0	112.7	V96 L101 N102	V96-T98 PolarHBondContact O-N 2.85Å; T98-L101 PolarHBondContact O-N 2.91Å; T98-N102 WeakPolarHBondContact O-CB 3.29Å; T98-N102 PolarHBondContact O-N 3.31Å; T98-N102 PolarHBondContact O-ND2 3.16Å; T98-N102 PolarHBondContact O-OD1 3.24Å
99	T	97.6	Very high	97.3	Very high	97 Å²	97	47 Å²	47	60%	0.595	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-49	175.3	-55.4	0	0	0	0	110.9	N97 L101 N102 V103	N97-T99 PolarHBondContact O-N 2.92Å; N97-T99 PolarHBondContact OD1-N 3.2Å; T99-L101 PolarHBondContact O-N 2.88Å; T99-N102 PolarHBondContact O-N 2.94Å; T99-V103 VanDerWaalsContact O-CG2 3.3Å; T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 2.93Å; T99-V103 VanDerWaalsContact O-N 3.08Å
100	Y	97.8	Very high	97.2	Very high	7 Å²	7	48 Å²	48	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-44.2	175.6	174.5	-112.8	0	0	0	111.7	W58 I84 M85 G88 V89 N97 N102 V103 M104	W58-Y100 HydrophobicContact CB-CD2 4.47Å; W58-Y100 HydrophobicContact CB-CE2 3.7Å; W58-Y100 HydrophobicContact CE3-CD2 4.39Å; I84-Y100 HydrophobicContact CG1-CE1 4.2Å; M85-Y100 PolarHBondContact N-OH 2.96Å; M85-Y100 VanDerWaalsContact N-OH 3.16Å; G88-Y100 WeakPolarHBondContact O-CD1 3.13Å; V89-Y100 HydrophobicContact CG2-CD1 3.95Å; V89-Y100 HydrophobicContact CG2-CE1 3.71Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.34Å; N97-Y100 PolarHBondContact O-N 2.86Å; N97-Y100 PolarHBondContact OD1-N 2.86Å; N97-Y100 VanDerWaalsContact OD1-N 3.1Å; Y100-N102 VanDerWaalsContact C-N 3.34Å; Y100-N102 PolarHBondContact O-N 3.43Å; Y100-V103 WeakPolarHBondContact O-CB 3.32Å; Y100-V103 PolarHBondContact O-N 3.36Å; Y100-M104 HydrophobicContact CD1-CG 4.4Å; Y100-M104 HydrophobicContact CD2-CG 4.02Å; Y100-M104 HydrophobicContact CE1-CG 4.01Å; Y100-M104 HydrophobicContact CE2-CG 3.57Å; Y100-M104 HydrophobicContact CE2-SD 3.7Å; Y100-M104 HydrophobicContact CG-CG 4.42Å; Y100-M104 WeakPolarHBondContact O-CG 3.22Å; Y100-M104 PolarHBondContact O-N 3.27Å
101	L	98.4	Very high	97.1	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-43.5	177.6	-71	174.8	0	0	0	112.6	V89 V96 N97 T98 T99 M104 E105 I198 I199 H202 Y203	V89-L101 HydrophobicContact CG1-CD2 4.16Å; V89-L101 HydrophobicContact CG2-CD2 4.1Å; V96-L101 HydrophobicContact CG1-CD1 3.59Å; N97-L101 WeakPolarHBondContact O-CG 3.23Å; N97-L101 PolarHBondContact O-N 2.82Å; N97-L101 VanDerWaalsContact O-N 3.11Å; T98-L101 PolarHBondContact O-N 2.91Å; T99-L101 PolarHBondContact O-N 2.88Å; L101-M104 PolarHBondContact O-N 3.01Å; L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.21Å; L101-I198 HydrophobicContact CD1-CG2 3.55Å; L101-I198 HydrophobicContact CD2-CG2 4.16Å; L101-I199 HydrophobicContact CD2-CD1 3.97Å; L101-H202 PolarHBondContact O-NE2 3.23Å; L101-Y203 WeakPolarHBondContact CA-OH 3.5Å; L101-Y203 HydrophobicContact CD2-CE2 4.42Å; L101-Y203 PolarHBondContact O-OH 3.27Å
102	N	98	Very high	97	Very high	81 Å²	81	45 Å²	45	43%	0.433	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-36.1	178.1	-67.2	-9.2	0	0	0	112.9	T98 T99 Y100 E105 S106	T98-N102 WeakPolarHBondContact O-CB 3.29Å; T98-N102 PolarHBondContact O-N 3.31Å; T98-N102 PolarHBondContact O-ND2 3.16Å; T98-N102 PolarHBondContact O-OD1 3.24Å; T99-N102 PolarHBondContact O-N 2.94Å; Y100-N102 VanDerWaalsContact C-N 3.34Å; Y100-N102 PolarHBondContact O-N 3.43Å; N102-E105 WeakPolarHBondContact O-CB 3.21Å; N102-E105 PolarHBondContact O-N 3.31Å; N102-S106 PolarHBondContact O-N 2.75Å; N102-S106 PolarHBondContact O-OG 2.83Å
103	V	97.2	Very high	97	Very high	33 Å²	33	47.1 Å²	47.1	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-49.5	174.7	166.3	0	0	0	0	109.9	Y59 W64 T99 Y100 E105 S106 L107	Y59-V103 HydrophobicContact CD1-CG1 3.71Å; Y59-V103 HydrophobicContact CD2-CG1 4.5Å; Y59-V103 HydrophobicContact CE1-CG1 3.6Å; Y59-V103 HydrophobicContact CE2-CG1 4.42Å; Y59-V103 HydrophobicContact CG-CG1 4.17Å; W64-V103 HydrophobicContact CZ2-CG1 3.85Å; T99-V103 VanDerWaalsContact O-CG2 3.3Å; T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 2.93Å; T99-V103 VanDerWaalsContact O-N 3.08Å; Y100-V103 WeakPolarHBondContact O-CB 3.32Å; Y100-V103 PolarHBondContact O-N 3.36Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.85Å; V103-S106 PolarHBondContact O-N 2.95Å; V103-L107 PolarHBondContact O-N 3.17Å; V103-L107 VanDerWaalsContact O-N 3.1Å
104	M	98	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-37.8	176.1	-64.2	-55.8	-71.5	0	0	111.5	L82 G83 Y100 L101 S106 L107 I108 Y203	L82-M104 HydrophobicContact CD1-CE 4.08Å; L82-M104 HydrophobicContact CD2-CE 3.62Å; L82-M104 HydrophobicContact CG-CE 3.67Å; G83-M104 VanDerWaalsContact O-CE 3.3Å; G83-M104 WeakPolarHBondContact O-CE 3.34Å; Y100-M104 HydrophobicContact CD1-CG 4.4Å; Y100-M104 HydrophobicContact CD2-CG 4.02Å; Y100-M104 HydrophobicContact CE1-CG 4.01Å; Y100-M104 HydrophobicContact CE2-CG 3.57Å; Y100-M104 HydrophobicContact CE2-SD 3.7Å; Y100-M104 HydrophobicContact CG-CG 4.42Å; Y100-M104 WeakPolarHBondContact O-CG 3.22Å; Y100-M104 PolarHBondContact O-N 3.27Å; L101-M104 PolarHBondContact O-N 3.01Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 2.76Å; M104-L107 PolarHBondContact O-N 3.07Å; M104-L107 HydrophobicContact SD-CD1 4.19Å; M104-I108 WeakPolarHBondContact O-CD1 3.47Å; M104-I108 WeakPolarHBondContact O-CG1 3.47Å; M104-I108 PolarHBondContact O-N 2.58Å; M104-Y203 WeakPolarHBondContact CB-OH 3.14Å
105	E	97.9	Very high	97	Very high	54 Å²	54	41.6 Å²	41.6	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-55.8	-48	174.9	-160.4	178.8	-170.8	0	0	111.7	L101 N102 V103 L107 I108 D109 H202 Y203 K206	L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.21Å; N102-E105 WeakPolarHBondContact O-CB 3.21Å; N102-E105 PolarHBondContact O-N 3.31Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.85Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-I108 PolarHBondContact O-N 3.38Å; E105-D109 PolarHBondContact O-N 3.49Å; E105-H202 IonicContact OE2-CE1 3.54Å; E105-H202 PolarHBondContact OE2-CE1 2.83Å; E105-H202 IonicContact OE2-NE2 3.69Å; E105-Y203 HydrophobicContact CB-CE1 3.78Å; E105-Y203 HydrophobicContact CG-CD1 4.3Å; E105-Y203 HydrophobicContact CG-CE1 3.95Å; E105-K206 VanDerWaalsContact CG-NZ 3.35Å; E105-K206 VanDerWaalsContact OE1-CE 3.23Å; E105-K206 WeakPolarHBondContact OE1-CE 3.4Å; E105-K206 IonicContact OE1-NZ 3.26Å; E105-K206 PolarHBondContact OE1-NZ 3.12Å
106	S	97.4	Very high	97	Very high	61 Å²	61	37.2 Å²	37.2	43%	0.427	22%	0.215	S	C	.	.	H	α-helix	trans	-66.4	-36	-179.4	-63.4	0	0	0	0	112.2	N102 V103 M104 L110	N102-S106 PolarHBondContact O-N 2.75Å; N102-S106 PolarHBondContact O-OG 2.83Å; V103-S106 PolarHBondContact O-N 2.95Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 2.76Å; S106-L110 WeakPolarHBondContact O-CB 3.39Å; S106-L110 PolarHBondContact O-N 3.06Å
107	L	96.8	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-43.8	171.6	-75.3	175.1	0	0	0	112	Y59 A63 W64 V103 M104 E105 D109 L110 Y111	Y59-L107 HydrophobicContact CG-CD1 4.47Å; A63-L107 HydrophobicContact CB-CD1 4.25Å; A63-L107 HydrophobicContact CB-CD2 3.89Å; W64-L107 HydrophobicContact CD2-CD2 3.5Å; W64-L107 VanDerWaalsContact CD2-CD2 3.5Å; W64-L107 HydrophobicContact CD2-CG 4.32Å; W64-L107 VanDerWaalsContact CE2-CD2 3.44Å; W64-L107 HydrophobicContact CE3-CD2 3.72Å; W64-L107 HydrophobicContact CE3-CG 4.49Å; W64-L107 HydrophobicContact CG-CD2 4.07Å; W64-L107 HydrophobicContact CH2-CD2 3.9Å; W64-L107 HydrophobicContact CH2-CG 3.75Å; W64-L107 HydrophobicContact CZ2-CD1 4.09Å; W64-L107 HydrophobicContact CZ2-CD2 3.65Å; W64-L107 HydrophobicContact CZ2-CG 3.49Å; W64-L107 VanDerWaalsContact CZ2-CG 3.49Å; W64-L107 HydrophobicContact CZ3-CD2 3.92Å; W64-L107 HydrophobicContact CZ3-CG 4.24Å; V103-L107 PolarHBondContact O-N 3.17Å; V103-L107 VanDerWaalsContact O-N 3.1Å; M104-L107 PolarHBondContact O-N 3.07Å; M104-L107 HydrophobicContact SD-CD1 4.19Å; E105-L107 PolarHBondContact O-N 3.14Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 2.91Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-Y111 HydrophobicContact CB-CE2 4.48Å; L107-Y111 WeakPolarHBondContact O-CD2 3.05Å; L107-Y111 PolarHBondContact O-N 3.32Å
108	I	97.6	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-42.6	177.7	-66.4	164.9	0	0	0	110.3	L82 M104 E105 Y111 A112 V118 L120 Y203 K206 N208 V209	L82-I108 HydrophobicContact CD2-CG1 4.13Å; M104-I108 WeakPolarHBondContact O-CD1 3.47Å; M104-I108 WeakPolarHBondContact O-CG1 3.47Å; M104-I108 PolarHBondContact O-N 2.58Å; E105-I108 PolarHBondContact O-N 3.38Å; I108-Y111 PolarHBondContact O-N 3.04Å; I108-A112 PolarHBondContact O-N 3.04Å; I108-V118 HydrophobicContact CG1-CG2 4.15Å; I108-V118 HydrophobicContact CG2-CG2 3.9Å; I108-L120 HydrophobicContact CD1-CD1 4.32Å; I108-L120 HydrophobicContact CD1-CD2 3.89Å; I108-L120 HydrophobicContact CG1-CD2 4.34Å; I108-Y203 HydrophobicContact CD1-CD1 3.89Å; I108-Y203 HydrophobicContact CD1-CD2 4.14Å; I108-Y203 HydrophobicContact CD1-CE1 3.9Å; I108-Y203 HydrophobicContact CD1-CE2 4.15Å; I108-Y203 HydrophobicContact CD1-CG 4.02Å; I108-K206 HydrophobicContact CB-CD 4.42Å; I108-K206 HydrophobicContact CG2-CD 3.65Å; I108-N208 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N208 PolarHBondContact O-ND2 3.09Å; I108-V209 HydrophobicContact CG2-CG2 3.82Å
109	D	96.9	Very high	97.1	Very high	57 Å²	57	29.1 Å²	29.1	31%	0.305	17%	0.166	S	C	.	.	H	α-helix	trans	-66.9	-41.4	177.2	-70.5	-23.8	0	0	0	111.6	E105 L107 Y111 A112 E113 K206	E105-D109 PolarHBondContact O-N 3.49Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 2.91Å; D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 3.46Å; D109-A112 WeakPolarHBondContact O-CA 3.45Å; D109-A112 VanDerWaalsContact O-CB 3.25Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 2.67Å; D109-E113 WeakPolarHBondContact O-CG 3.23Å; D109-E113 PolarHBondContact O-N 3.28Å; D109-K206 WeakPolarHBondContact OD1-CD 3.39Å; D109-K206 WeakPolarHBondContact OD1-CE 3.4Å; D109-K206 IonicContact OD1-NZ 3.26Å; D109-K206 PolarHBondContact OD1-NZ 3.07Å; D109-K206 IonicContact OD2-NZ 2.94Å; D109-K206 PolarHBondContact OD2-NZ 3.34Å
110	L	96.1	Very high	97.2	Very high	20 Å²	20	24.5 Å²	24.5	11%	0.105	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-38.8	175.3	-178.2	61.8	0	0	0	112.4	W64 I66 I69 S106 L107 E113 H114	W64-L110 HydrophobicContact CE3-CD2 4.27Å; I66-L110 HydrophobicContact CG1-CD1 4.42Å; I69-L110 HydrophobicContact CD1-CD1 4.47Å; I69-L110 HydrophobicContact CD1-CD2 3.41Å; I69-L110 VanDerWaalsContact CD1-CD2 3.41Å; I69-L110 HydrophobicContact CD1-CG 3.65Å; S106-L110 WeakPolarHBondContact O-CB 3.39Å; S106-L110 PolarHBondContact O-N 3.06Å; L107-L110 PolarHBondContact O-N 2.89Å; L110-E113 PolarHBondContact O-N 3.42Å; L110-H114 PolarHBondContact O-N 3.26Å; L110-H114 PolarHBondContact O-ND1 2.9Å
111	Y	96.3	Very high	97.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-39.6	172.2	-68.8	-43.8	0	0	0	112	N51 I69 I80 L82 L107 I108 D109 E113 H114 G115 I116 V118	N51-Y111 PolarHBondContact ND2-OH 2.9Å; I69-Y111 HydrophobicContact CD1-CD1 4.36Å; I69-Y111 HydrophobicContact CD1-CE1 4.06Å; I69-Y111 HydrophobicContact CG1-CE1 4.16Å; I69-Y111 HydrophobicContact CG2-CD1 4.46Å; I80-Y111 HydrophobicContact CD1-CD1 3.7Å; I80-Y111 HydrophobicContact CD1-CD2 4.45Å; I80-Y111 HydrophobicContact CD1-CE1 3.31Å; I80-Y111 HydrophobicContact CD1-CE2 4.11Å; I80-Y111 HydrophobicContact CD1-CG 4.27Å; L82-Y111 HydrophobicContact CD1-CE2 4.38Å; L82-Y111 HydrophobicContact CD2-CE2 4.25Å; L107-Y111 HydrophobicContact CB-CE2 4.48Å; L107-Y111 WeakPolarHBondContact O-CD2 3.05Å; L107-Y111 PolarHBondContact O-N 3.32Å; I108-Y111 PolarHBondContact O-N 3.04Å; D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 3.46Å; Y111-E113 VanDerWaalsContact C-N 3.32Å; Y111-E113 PolarHBondContact O-N 2.93Å; Y111-H114 CarbonylContact O-C 3.56Å; Y111-H114 PolarHBondContact O-N 3.34Å; Y111-H114 VanDerWaalsContact O-N 3.12Å; Y111-G115 PolarHBondContact O-N 3.22Å; Y111-I116 CarbonylContact C-O 3.57Å; Y111-I116 HydrophobicContact CD1-CD1 4.35Å; Y111-I116 HydrophobicContact CD1-CG2 4.37Å; Y111-I116 HydrophobicContact CG-CG2 4.38Å; Y111-I116 WeakPolarHBondContact O-CB 3.4Å; Y111-I116 PolarHBondContact O-N 3.2Å; Y111-V118 HydrophobicContact CD2-CG1 3.66Å; Y111-V118 HydrophobicContact CG-CG1 4.26Å
112	A	96.3	Very high	97.2	Very high	11 Å²	11	23.8 Å²	23.8	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-45.9	175	0	0	0	0	0	111.5	F22 I108 D109 H114 G115 N208	F22-A112 WeakPolarHBondContact CE2-O 3.34Å; F22-A112 HydrophobicContact CZ-CB 4.25Å; F22-A112 VanDerWaalsContact CZ-O 3.23Å; F22-A112 WeakPolarHBondContact CZ-O 3.4Å; I108-A112 PolarHBondContact O-N 3.04Å; D109-A112 WeakPolarHBondContact O-CA 3.45Å; D109-A112 VanDerWaalsContact O-CB 3.25Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 2.67Å; A112-H114 PolarHBondContact O-N 3.39Å; A112-H114 VanDerWaalsContact O-N 3.12Å; A112-G115 PolarHBondContact O-N 2.9Å; A112-N208 HydrophobicContact CB-CB 3.92Å; A112-N208 VanDerWaalsContact CB-CG 3.49Å; A112-N208 WeakPolarHBondContact CB-ND2 3.41Å
113	E	95.1	Very high	97.2	Very high	119 Å²	119	19.9 Å²	19.9	56%	0.556	11%	0.114	S	C	*	.	H	α-helix	trans	-55.9	-27.4	177.9	-72.9	177.3	-171.9	0	0	113.3	F22 D109 L110 Y111	F22-E113 VanDerWaalsContact CE2-CA 3.41Å; D109-E113 WeakPolarHBondContact O-CG 3.23Å; D109-E113 PolarHBondContact O-N 3.28Å; L110-E113 PolarHBondContact O-N 3.42Å; Y111-E113 VanDerWaalsContact C-N 3.32Å; Y111-E113 PolarHBondContact O-N 2.93Å
114	H	94.7	Very high	97.2	Very high	20 Å²	20	18.3 Å²	18.3	9%	0.093	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12	179.9	-64.2	80.5	0	0	0	113.3	I69 Q73 L110 Y111 A112 I116	I69-H114 HydrophobicContact CG2-CB 3.58Å; I69-H114 VanDerWaalsContact CG2-CG 3.41Å; Q73-H114 WeakPolarHBondContact CG-O 3.29Å; Q73-H114 PolarHBondContact NE2-O 2.91Å; L110-H114 PolarHBondContact O-N 3.26Å; L110-H114 PolarHBondContact O-ND1 2.9Å; Y111-H114 CarbonylContact O-C 3.56Å; Y111-H114 PolarHBondContact O-N 3.34Å; Y111-H114 VanDerWaalsContact O-N 3.12Å; A112-H114 PolarHBondContact O-N 3.39Å; A112-H114 VanDerWaalsContact O-N 3.12Å; H114-I116 VanDerWaalsContact C-N 3.35Å; H114-I116 HydrophobicContact CB-CD1 4.33Å
115	G	94.8	Very high	97.1	Very high	30 Å²	30	19.1 Å²	19.1	31%	0.309	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	22.9	176.6	0	0	0	0	0	114.2	Y111 A112	Y111-G115 PolarHBondContact O-N 3.22Å; A112-G115 PolarHBondContact O-N 2.9Å
116	I	96.8	Very high	96.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.096	C	C	.	.			trans	-105.2	125.7	-177.4	-62.8	168.1	0	0	0	110	I69 F72 I80 Y111 H114	I69-I116 HydrophobicContact CG2-CD1 4.03Å; F72-I116 HydrophobicContact CB-CD1 4.44Å; I80-I116 HydrophobicContact CB-CG2 4.34Å; I80-I116 HydrophobicContact CD1-CG2 3.86Å; I80-I116 HydrophobicContact CG1-CG2 3.78Å; Y111-I116 CarbonylContact C-O 3.57Å; Y111-I116 HydrophobicContact CD1-CD1 4.35Å; Y111-I116 HydrophobicContact CD1-CG2 4.37Å; Y111-I116 HydrophobicContact CG-CG2 4.38Å; Y111-I116 WeakPolarHBondContact O-CB 3.4Å; Y111-I116 PolarHBondContact O-N 3.2Å; H114-I116 VanDerWaalsContact C-N 3.35Å; H114-I116 HydrophobicContact CB-CD1 4.33Å
117	Y	98.4	Very high	96.9	Very high	9 Å²	9	13.7 Å²	13.7	4%	0.035	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	156.7	170.7	-72.5	-95.4	0	0	0	111.3	L25 S26 I28 F46 N78 V79 I80 N208 L210	L25-Y117 HydrophobicContact CB-CE1 4.15Å; L25-Y117 HydrophobicContact CB-CE2 4.36Å; L25-Y117 HydrophobicContact CD1-CD2 3.98Å; L25-Y117 HydrophobicContact CD1-CE1 4.41Å; L25-Y117 HydrophobicContact CD1-CE2 3.88Å; L25-Y117 HydrophobicContact CD1-CG 4.31Å; L25-Y117 HydrophobicContact CD2-CE2 3.76Å; L25-Y117 HydrophobicContact CG-CE2 4.22Å; S26-Y117 PolarHBondContact N-OH 2.83Å; S26-Y117 VanDerWaalsContact O-CE1 3.29Å; S26-Y117 WeakPolarHBondContact O-CE1 3.27Å; S26-Y117 PolarHBondContact O-OH 3.12Å; I28-Y117 HydrophobicContact CD1-CE1 4.22Å; I28-Y117 HydrophobicContact CG1-CD1 4.27Å; I28-Y117 HydrophobicContact CG1-CE1 3.55Å; F46-Y117 HydrophobicContact CD1-CD2 4.31Å; F46-Y117 AromaticContact CE1-CD2 3.6Å; F46-Y117 HydrophobicContact CE1-CD2 3.6Å; F46-Y117 AromaticContact CE1-CE2 3.92Å; F46-Y117 HydrophobicContact CE1-CE2 3.92Å; F46-Y117 AromaticContact CE1-CG 3.95Å; F46-Y117 HydrophobicContact CE1-CG 3.95Å; N78-Y117 PolarHBondContact O-N 2.85Å; V79-Y117 CarbonylContact C-O 3.56Å; V79-Y117 VanDerWaalsContact CA-O 3.26Å; V79-Y117 WeakPolarHBondContact CA-O 3.47Å; I80-Y117 PolarHBondContact N-O 3.05Å; Y117-N208 CarbonylContact C-O 3.45Å; Y117-N208 VanDerWaalsContact CA-O 3.26Å; Y117-N208 WeakPolarHBondContact CA-O 3.16Å; Y117-N208 WeakPolarHBondContact CD1-O 3.31Å; Y117-L210 HydrophobicContact CD1-CB 4.32Å
118	V	98.5	Very high	96.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.8	175	-60.5	0	0	0	0	111.4	I80 I108 Y111 L120 N208 V209 L210	I80-V118 CarbonylContact O-C 3.39Å; I80-V118 VanDerWaalsContact O-CA 3.3Å; I80-V118 WeakPolarHBondContact O-CA 3.43Å; I108-V118 HydrophobicContact CG1-CG2 4.15Å; I108-V118 HydrophobicContact CG2-CG2 3.9Å; Y111-V118 HydrophobicContact CD2-CG1 3.66Å; Y111-V118 HydrophobicContact CG-CG1 4.26Å; V118-L120 HydrophobicContact CB-CD2 4.45Å; V118-L120 HydrophobicContact CG2-CD2 4.11Å; V118-N208 PolarHBondContact N-O 3.11Å; V118-V209 HydrophobicContact CG2-CB 4.25Å; V118-V209 HydrophobicContact CG2-CG2 3.76Å; V118-L210 WeakPolarHBondContact O-CB 3.45Å; V118-L210 PolarHBondContact O-N 2.96Å
119	I	98.8	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.3	161.3	-57.4	167.6	0	0	0	105.6	V79 I80 R81 L82 D121 L210 D213 F261 F351 T353	V79-I119 HydrophobicContact CG2-CD1 4.11Å; V79-I119 HydrophobicContact CG2-CG1 4.08Å; I80-I119 PolarHBondContact O-N 3.27Å; R81-I119 CarbonylContact C-O 3.33Å; R81-I119 HydrophobicContact CB-CB 4.36Å; R81-I119 HydrophobicContact CG-CB 4.36Å; R81-I119 HydrophobicContact CG-CG2 4.41Å; L82-I119 PolarHBondContact N-O 3.16Å; I119-D121 PolarHBondContact O-N 2.95Å; I119-L210 HydrophobicContact CD1-CD2 4.26Å; I119-L210 HydrophobicContact CG1-CB 4.3Å; I119-L210 HydrophobicContact CG1-CD2 3.92Å; I119-L210 HydrophobicContact CG1-CG 4.42Å; I119-D213 HydrophobicContact CG2-CB 4.1Å; I119-F261 HydrophobicContact CD1-CD1 4.35Å; I119-F261 HydrophobicContact CD1-CE1 3.63Å; I119-F261 HydrophobicContact CD1-CE2 4.48Å; I119-F261 HydrophobicContact CD1-CZ 3.72Å; I119-F261 HydrophobicContact CG1-CE1 4.23Å; I119-F261 HydrophobicContact CG1-CE2 4.19Å; I119-F261 HydrophobicContact CG1-CZ 3.87Å; I119-F261 HydrophobicContact CG2-CD1 4.34Å; I119-F261 HydrophobicContact CG2-CD2 4.12Å; I119-F261 HydrophobicContact CG2-CE1 4.49Å; I119-F261 HydrophobicContact CG2-CE2 4.31Å; I119-F261 HydrophobicContact CG2-CG 4.15Å; I119-F261 HydrophobicContact CG2-CZ 4.49Å; I119-F351 HydrophobicContact CD1-CD1 4.37Å; I119-F351 HydrophobicContact CD1-CD2 4.38Å; I119-F351 HydrophobicContact CD1-CE1 3.99Å; I119-F351 HydrophobicContact CD1-CE2 3.98Å; I119-F351 HydrophobicContact CD1-CZ 3.79Å; I119-T353 HydrophobicContact CD1-CG2 4.49Å
120	L	98.9	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.8	178	-60.2	-177.3	0	0	0	108.9	L82 I84 I108 V118 I199 Y203 V209 G211 Y212 D213	L82-L120 HydrophobicContact CB-CD2 4.44Å; L82-L120 HydrophobicContact CD2-CD2 4.21Å; I84-L120 HydrophobicContact CG2-CB 3.87Å; I108-L120 HydrophobicContact CD1-CD1 4.32Å; I108-L120 HydrophobicContact CD1-CD2 3.89Å; I108-L120 HydrophobicContact CG1-CD2 4.34Å; V118-L120 HydrophobicContact CB-CD2 4.45Å; V118-L120 HydrophobicContact CG2-CD2 4.11Å; L120-I199 HydrophobicContact CD1-CG2 3.79Å; L120-Y203 HydrophobicContact CD1-CD2 3.48Å; L120-Y203 VanDerWaalsContact CD1-CD2 3.48Å; L120-Y203 HydrophobicContact CD1-CE2 4.15Å; L120-Y203 HydrophobicContact CD1-CG 4.21Å; L120-V209 HydrophobicContact CD1-CG1 4.15Å; L120-V209 HydrophobicContact CG-CG1 4.31Å; L120-G211 PolarHBondContact N-O 3.32Å; L120-Y212 HydrophobicContact CB-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CE1 4.05Å; L120-D213 PolarHBondContact O-N 3.45Å
121	D	98.7	Very high	96.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.8	-173.1	161.7	38.5	0	0	0	112.2	R81 L82 I84 I119 H123 D213	R81-D121 HydrophobicContact CG-CB 3.78Å; R81-D121 IonicContact CZ-OD1 3.04Å; R81-D121 IonicContact CZ-OD2 2.63Å; R81-D121 VanDerWaalsContact CZ-OD2 3.26Å; R81-D121 IonicContact NE-OD2 3.41Å; R81-D121 IonicContact NH1-OD2 3.65Å; R81-D121 PolarHBondContact NH1-OD2 3.46Å; R81-D121 VanDerWaalsContact NH1-OD2 3.17Å; R81-D121 IonicContact NH2-OD1 3.79Å; R81-D121 PolarHBondContact NH2-OD1 3.25Å; R81-D121 IonicContact NH2-OD2 2.67Å; L82-D121 PolarHBondContact O-N 2.99Å; I84-D121 WeakPolarHBondContact CG2-O 3.12Å; I84-D121 PolarHBondContact N-O 3.36Å; I119-D121 PolarHBondContact O-N 2.95Å; D121-H123 PolarHBondContact O-N 2.9Å; D121-H123 PolarHBondContact OD1-N 3.47Å; D121-H123 WeakPolarHBondContact OD2-CB 3.29Å; D121-H123 IonicContact OD2-CE1 3.04Å; D121-H123 IonicContact OD2-CG 2.65Å; D121-H123 IonicContact OD2-ND1 3.92Å; D121-H123 PolarHBondContact OD2-ND1 2.98Å; D121-D213 HydrophobicContact CB-CB 4.05Å
122	M	98.7	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.			trans	-74.8	83.7	169.2	-168.1	-141.2	94.7	0	0	109.7	W86 Q124 I137 W192 F195 W196 D213 I215 N216	W86-M122 HydrophobicContact CB-CG 4.34Å; W86-M122 HydrophobicContact CD2-SD 4.5Å; W86-M122 HydrophobicContact CE3-CE 4.28Å; W86-M122 HydrophobicContact CE3-SD 3.68Å; W86-M122 HydrophobicContact CZ3-SD 4.34Å; M122-Q124 HydrophobicContact CE-CB 4.42Å; M122-Q124 HydrophobicContact CE-CG 4.16Å; M122-I137 HydrophobicContact CE-CD1 3.61Å; M122-W192 PolarHBondContact SD-NE1 2.75Å; M122-W192 VanDerWaalsContact SD-NE1 3.4Å; M122-F195 HydrophobicContact CB-CE1 3.81Å; M122-F195 HydrophobicContact CB-CZ 4.09Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.57Å; M122-F195 HydrophobicContact CG-CZ 3.75Å; M122-F195 HydrophobicContact SD-CE1 4.33Å; M122-W196 HydrophobicContact CB-CH2 4.21Å; M122-W196 HydrophobicContact CB-CZ2 3.59Å; M122-D213 PolarHBondContact N-O 3Å; M122-D213 VanDerWaalsContact N-O 3.14Å; M122-I215 HydrophobicContact CE-CB 4.07Å; M122-I215 HydrophobicContact CE-CD1 3.89Å; M122-I215 HydrophobicContact CE-CG1 3.73Å; M122-N216 PolarHBondContact O-N 3.19Å; M122-N216 VanDerWaalsContact O-N 3.12Å
123	H	98.2	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.			trans	-75.9	138.9	-172.6	-149.5	83.4	0	0	0	112.6	V52 M85 D121 D125 Y134 N216 E354 W389	V52-H123 HydrophobicContact CG1-CB 3.93Å; M85-H123 HydrophobicContact CE-CB 4.28Å; M85-H123 WeakPolarHBondContact CE-O 3.16Å; M85-H123 HydrophobicContact SD-CB 3.89Å; D121-H123 PolarHBondContact O-N 2.9Å; D121-H123 PolarHBondContact OD1-N 3.47Å; D121-H123 WeakPolarHBondContact OD2-CB 3.29Å; D121-H123 IonicContact OD2-CE1 3.04Å; D121-H123 IonicContact OD2-CG 2.65Å; D121-H123 IonicContact OD2-ND1 3.92Å; D121-H123 PolarHBondContact OD2-ND1 2.98Å; H123-D125 IonicContact CD2-OD2 2.72Å; H123-D125 IonicContact NE2-OD2 3.58Å; H123-D125 PolarHBondContact NE2-OD2 3.25Å; H123-Y134 PolarHBondContact CD2-OH 3.33Å; H123-Y134 VanDerWaalsContact CD2-OH 3.28Å; H123-N216 HydrophobicContact CB-CB 4.47Å; H123-N216 PolarHBondContact CE1-ND2 2.93Å; H123-N216 PolarHBondContact CE1-OD1 3.17Å; H123-N216 VanDerWaalsContact CE1-OD1 3.32Å; H123-N216 VanDerWaalsContact ND1-CG 3.34Å; H123-N216 PolarHBondContact ND1-OD1 2.9Å; H123-E354 IonicContact CE1-OE1 2.86Å; H123-E354 PolarHBondContact CE1-OE1 3.43Å; H123-W389 AromaticContact CE1-CH2 3.5Å; H123-W389 AromaticContact CE1-CZ3 3.41Å; H123-W389 VanDerWaalsContact CE1-CZ3 3.41Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.34Å; H123-W389 AromaticContact NE2-CH2 3.39Å; H123-W389 WeakPolarHBondContact NE2-CH2 3.18Å; H123-W389 AromaticContact NE2-CZ3 3.83Å
124	Q	96.7	Very high	96.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.078	C	C	.	.			trans	-155.1	147.6	170.9	67.2	80.4	31.6	0	0	109.8	M122 Y134 Y169 I215 N216 E217	M122-Q124 HydrophobicContact CE-CB 4.42Å; M122-Q124 HydrophobicContact CE-CG 4.16Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.34Å; Q124-Y169 PolarHBondContact NE2-OH 2.97Å; Q124-Y169 PolarHBondContact OE1-OH 3.29Å; Q124-I215 HydrophobicContact CG-CD1 4.06Å; Q124-I215 HydrophobicContact CG-CG1 3.91Å; Q124-N216 PolarHBondContact NE2-O 3.5Å; Q124-N216 PolarHBondContact O-ND2 2.86Å; Q124-E217 PolarHBondContact NE2-O 3.06Å
125	D	95.6	Very high	96.5	Very high	16 Å²	16	13.5 Å²	13.5	9%	0.086	9%	0.086	C	C	.	.	S	Bend	trans	-135.9	128.3	166.2	-49.1	-109.2	0	0	0	107.7	K54 H123 L127 T133 Y134 E165 Y169	K54-D125 WeakPolarHBondContact CE-OD2 3.36Å; K54-D125 IonicContact NZ-OD1 3.49Å; K54-D125 PolarHBondContact NZ-OD1 3.16Å; K54-D125 IonicContact NZ-OD2 2.75Å; K54-D125 PolarHBondContact NZ-OD2 3.39Å; H123-D125 IonicContact CD2-OD2 2.72Å; H123-D125 IonicContact NE2-OD2 3.58Å; H123-D125 PolarHBondContact NE2-OD2 3.25Å; D125-L127 PolarHBondContact O-N 2.9Å; D125-T133 WeakPolarHBondContact O-CB 3.47Å; D125-T133 PolarHBondContact O-OG1 2.98Å; D125-Y134 HydrophobicContact CB-CE1 3.94Å; D125-Y134 PolarHBondContact N-OH 2.7Å; D125-Y134 VanDerWaalsContact OD2-CE1 3.31Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.48Å; D125-Y134 PolarHBondContact OD2-OH 3.05Å; D125-E165 HydrophobicContact CB-CB 3.68Å; D125-E165 HydrophobicContact CB-CG 4.45Å; D125-E165 WeakPolarHBondContact CB-OE2 3.47Å; D125-Y169 WeakPolarHBondContact CA-OH 3.43Å
126	G	94.8	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	62.9	21.9	-177.9	0	0	0	0	0	114.8	S128 Y169	G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 2.7Å; G126-Y169 PolarHBondContact N-OH 2.98Å; G126-Y169 VanDerWaalsContact N-OH 3.1Å
127	L	96.8	Very high	96.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.071	C	C	.	.	S	Bend	trans	63.3	-61.9	-179.9	-54.1	172.4	0	0	0	116.3	D125 Y131 G136 I137 Y169 C174 A178 P219	D125-L127 PolarHBondContact O-N 2.9Å; L127-Y131 HydrophobicContact CB-CD2 3.9Å; L127-Y131 HydrophobicContact CB-CE2 3.95Å; L127-Y131 HydrophobicContact CD1-CD2 4.27Å; L127-Y131 HydrophobicContact CD1-CE2 3.85Å; L127-G136 PolarHBondContact O-N 3.1Å; L127-I137 HydrophobicContact CB-CG1 4.18Å; L127-I137 HydrophobicContact CD2-CG1 3.97Å; L127-I137 WeakPolarHBondContact O-CA 3.28Å; L127-I137 WeakPolarHBondContact O-CB 3.06Å; L127-I137 PolarHBondContact O-N 3.47Å; L127-Y169 HydrophobicContact CG-CE1 4.42Å; L127-C174 WeakPolarHBondContact CD1-O 3.15Å; L127-A178 HydrophobicContact CD1-CB 4.04Å; L127-P219 HydrophobicContact CD2-CG 4.02Å
128	S	96.7	Very high	96.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.			trans	-156.4	158.6	-169.7	171.1	0	0	0	0	112.5	G126 R130 Y131 T133 Y134 D135 I137	G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 2.7Å; S128-R130 PolarHBondContact O-N 3.19Å; S128-R130 PolarHBondContact OG-N 3.39Å; S128-Y131 PolarHBondContact O-N 2.66Å; S128-T133 PolarHBondContact O-OG1 2.83Å; S128-Y134 CarbonylContact C-O 3.54Å; S128-Y134 VanDerWaalsContact C-O 3.26Å; S128-Y134 WeakPolarHBondContact CA-O 3.3Å; S128-D135 PolarHBondContact OG-OD1 2.93Å; S128-I137 WeakPolarHBondContact CB-O 3.46Å
129	S	96	Very high	96.6	Very high	49 Å²	49	14.3 Å²	14.3	34%	0.343	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-54.3	-22.7	169.5	67	0	0	0	0	113.6	Y131 G132 T133 Y134 D135	S129-Y131 PolarHBondContact O-N 3.32Å; S129-G132 PolarHBondContact O-N 3.5Å; S129-T133 WeakPolarHBondContact CA-O 3.48Å; S129-Y134 PolarHBondContact N-O 3.18Å; S129-D135 VanDerWaalsContact CB-OD1 3.26Å; S129-D135 WeakPolarHBondContact CB-OD1 3.47Å; S129-D135 PolarHBondContact N-OD1 2.81Å; S129-D135 VanDerWaalsContact OG-CG 3.32Å; S129-D135 PolarHBondContact OG-OD1 3.42Å; S129-D135 PolarHBondContact OG-OD2 3.09Å
130	R	95.8	Very high	96.5	Very high	65 Å²	65	15.8 Å²	15.8	25%	0.245	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-51.8	-37.1	169.9	173.5	60.6	75	82.2	-4.3	112.5	S128 L139 I142 N143	S128-R130 PolarHBondContact O-N 3.19Å; S128-R130 PolarHBondContact OG-N 3.39Å; R130-L139 HydrophobicContact CB-CD1 3.87Å; R130-I142 HydrophobicContact CB-CG2 3.65Å; R130-I142 HydrophobicContact CG-CG2 3.69Å; R130-N143 PolarHBondContact NH2-OD1 3.14Å
131	Y	94.7	Very high	96.5	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.027	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-97.5	-7	-174.9	-53	-56.7	0	0	0	113	L127 S128 S129 I142 E154 Y168 E173 C174 G177	L127-Y131 HydrophobicContact CB-CD2 3.9Å; L127-Y131 HydrophobicContact CB-CE2 3.95Å; L127-Y131 HydrophobicContact CD1-CD2 4.27Å; L127-Y131 HydrophobicContact CD1-CE2 3.85Å; S128-Y131 PolarHBondContact O-N 2.66Å; S129-Y131 PolarHBondContact O-N 3.32Å; Y131-I142 HydrophobicContact CE2-CD1 4.26Å; Y131-I142 HydrophobicContact CE2-CG2 4.03Å; Y131-E154 HydrophobicContact CD1-CG 4.19Å; Y131-Y168 WeakPolarHBondContact O-CD1 3.07Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.26Å; Y131-E173 HydrophobicContact CD1-CB 4.01Å; Y131-E173 HydrophobicContact CD1-CG 4.17Å; Y131-E173 HydrophobicContact CE1-CB 3.96Å; Y131-E173 HydrophobicContact CE1-CG 3.73Å; Y131-E173 WeakPolarHBondContact CE1-O 3.33Å; Y131-C174 HydrophobicContact CD1-CB 4.23Å; Y131-C174 HydrophobicContact CD2-CB 4.22Å; Y131-C174 HydrophobicContact CG-CB 3.92Å; Y131-G177 VanDerWaalsContact OH-CA 3.3Å; Y131-G177 WeakPolarHBondContact OH-CA 3.5Å
132	G	92	Very high	96.4	Very high	36 Å²	36	15.9 Å²	15.9	37%	0.371	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	118.6	4.3	176.4	0	0	0	0	0	115.5	S129	S129-G132 PolarHBondContact O-N 3.5Å
133	T	93.8	Very high	96.4	Very high	16 Å²	16	19.9 Å²	19.9	10%	0.098	11%	0.111	C	C	.	.	S	Bend	trans	-108.3	-132.4	177.2	65.4	0	0	0	0	111.7	D125 S128 S129 E165 Y168	D125-T133 WeakPolarHBondContact O-CB 3.47Å; D125-T133 PolarHBondContact O-OG1 2.98Å; S128-T133 PolarHBondContact O-OG1 2.83Å; S129-T133 WeakPolarHBondContact CA-O 3.48Å; T133-E165 HydrophobicContact CG2-CB 4.06Å; T133-E165 HydrophobicContact CG2-CG 4.06Å; T133-Y168 HydrophobicContact CG2-CD2 3.75Å; T133-Y168 HydrophobicContact CG2-CE2 3.9Å; T133-Y168 HydrophobicContact CG2-CG 4.09Å
134	Y	94.8	Very high	96.3	Very high	6 Å²	6	23.3 Å²	23.3	2%	0.024	13%	0.127	C	C	.	.			trans	-119.5	166.4	175.1	65.8	-86.3	0	0	0	109.6	K54 Y55 M85 H123 Q124 D125 S128 S129 G136	K54-Y134 HydrophobicContact CB-CD1 3.91Å; K54-Y134 HydrophobicContact CB-CD2 4.06Å; K54-Y134 HydrophobicContact CB-CE1 3.81Å; K54-Y134 HydrophobicContact CB-CE2 3.98Å; K54-Y134 HydrophobicContact CB-CG 4.03Å; K54-Y134 HydrophobicContact CD-CD1 4.21Å; K54-Y134 HydrophobicContact CD-CE1 3.54Å; K54-Y134 HydrophobicContact CG-CD1 4.39Å; K54-Y134 HydrophobicContact CG-CE1 3.79Å; K54-Y134 HydrophobicContact CG-CE2 4.28Å; K54-Y134 VanDerWaalsContact O-CD2 3.23Å; K54-Y134 WeakPolarHBondContact O-CD2 3.36Å; Y55-Y134 VanDerWaalsContact CE1-CB 3.44Å; Y55-Y134 HydrophobicContact CE1-CG 4.48Å; M85-Y134 HydrophobicContact CE-CD2 4.08Å; M85-Y134 HydrophobicContact CE-CE2 3.4Å; H123-Y134 PolarHBondContact CD2-OH 3.33Å; H123-Y134 VanDerWaalsContact CD2-OH 3.28Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.34Å; D125-Y134 HydrophobicContact CB-CE1 3.94Å; D125-Y134 PolarHBondContact N-OH 2.7Å; D125-Y134 VanDerWaalsContact OD2-CE1 3.31Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.48Å; D125-Y134 PolarHBondContact OD2-OH 3.05Å; S128-Y134 CarbonylContact C-O 3.54Å; S128-Y134 VanDerWaalsContact C-O 3.26Å; S128-Y134 WeakPolarHBondContact CA-O 3.3Å; S129-Y134 PolarHBondContact N-O 3.18Å; Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.45Å
135	D	96.6	Very high	96.4	Very high	48 Å²	48	23.8 Å²	23.8	26%	0.257	13%	0.129	S	C	.	.			trans	-78.9	71.8	-178.6	-64.5	-33.1	0	0	0	112.5	S87 S128 S129	S87-D135 WeakPolarHBondContact CB-O 3.44Å; S87-D135 WeakPolarHBondContact OG-CB 3.41Å; S87-D135 PolarHBondContact OG-O 2.86Å; S128-D135 PolarHBondContact OG-OD1 2.93Å; S129-D135 VanDerWaalsContact CB-OD1 3.26Å; S129-D135 WeakPolarHBondContact CB-OD1 3.47Å; S129-D135 PolarHBondContact N-OD1 2.81Å; S129-D135 VanDerWaalsContact OG-CG 3.32Å; S129-D135 PolarHBondContact OG-OD1 3.42Å; S129-D135 PolarHBondContact OG-OD2 3.09Å
136	G	96.6	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-64.3	-53.1	166.9	0	0	0	0	0	110.5	W86 L127 Y134	W86-G136 WeakPolarHBondContact CB-O 3.17Å; L127-G136 PolarHBondContact O-N 3.1Å; Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.45Å
137	I	98	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-86.5	129.7	160.6	-49.8	-57	0	0	0	108.2	W86 M122 L127 S128 L139 L141 I142 L181	W86-I137 HydrophobicContact CE3-CD1 3.84Å; W86-I137 HydrophobicContact CZ3-CD1 3.88Å; W86-I137 HydrophobicContact CZ3-CG2 4.33Å; M122-I137 HydrophobicContact CE-CD1 3.61Å; L127-I137 HydrophobicContact CB-CG1 4.18Å; L127-I137 HydrophobicContact CD2-CG1 3.97Å; L127-I137 WeakPolarHBondContact O-CA 3.28Å; L127-I137 WeakPolarHBondContact O-CB 3.06Å; L127-I137 PolarHBondContact O-N 3.47Å; S128-I137 WeakPolarHBondContact CB-O 3.46Å; I137-L139 PolarHBondContact O-N 2.96Å; I137-L141 HydrophobicContact CG2-CD2 4.04Å; I137-I142 HydrophobicContact CB-CD1 4.23Å; I137-I142 HydrophobicContact CB-CG1 4.37Å; I137-I142 HydrophobicContact CG2-CD1 3.78Å; I137-I142 HydrophobicContact CG2-CG1 4.04Å; I137-L181 HydrophobicContact CD1-CD2 4.25Å
138	P	97.9	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.185	C	C	.	.			trans	-62.1	135.4	-174.3	-23.6	32.5	0	0	0	113.8	W86 S87 W140 L141 I142	W86-P138 HydrophobicContact CB-CG 4.11Å; W86-P138 VanDerWaalsContact CD2-CD 3.5Å; W86-P138 HydrophobicContact CD2-CG 3.96Å; W86-P138 HydrophobicContact CG-CG 3.6Å; S87-P138 WeakPolarHBondContact OG-CA 3.3Å; P138-W140 VanDerWaalsContact CB-CD1 3.42Å; P138-W140 HydrophobicContact CB-CD2 4.13Å; P138-W140 HydrophobicContact CB-CG 4.06Å; P138-W140 HydrophobicContact CB-CZ2 4.09Å; P138-W140 HydrophobicContact CG-CZ2 4.07Å; P138-W140 PolarHBondContact O-N 3.39Å; P138-W140 VanDerWaalsContact O-N 3.12Å; P138-L141 WeakPolarHBondContact O-CB 3.4Å; P138-L141 PolarHBondContact O-N 2.65Å; P138-I142 PolarHBondContact O-N 3.34Å
139	L	97.6	Very high	96.5	Very high	56 Å²	56	41.2 Å²	41.2	29%	0.293	21%	0.211	S	C	.	.	H	α-helix	trans	-56	-33.8	179.5	-176.3	60.9	0	0	0	112.6	R130 I137 L141 I142 N143	R130-L139 HydrophobicContact CB-CD1 3.87Å; I137-L139 PolarHBondContact O-N 2.96Å; L139-L141 PolarHBondContact O-N 3.12Å; L139-I142 PolarHBondContact O-N 2.84Å; L139-N143 WeakPolarHBondContact CD1-OD1 3.26Å; L139-N143 VanDerWaalsContact O-CB 3.28Å; L139-N143 WeakPolarHBondContact O-CB 3.43Å; L139-N143 PolarHBondContact O-N 3.12Å; L139-N143 PolarHBondContact O-ND2 3.46Å; L139-N143 PolarHBondContact O-OD1 2.97Å
140	W	97.9	Very high	96.5	Very high	30 Å²	30	44.4 Å²	44.4	11%	0.114	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-27	177.5	63.1	-103.6	0	0	0	113.4	K90 I93 P138 Q144 H191	K90-W140 HydrophobicContact CB-CZ2 4.32Å; K90-W140 PolarHBondContact O-NE1 3.47Å; I93-W140 HydrophobicContact CB-CD2 4.19Å; I93-W140 HydrophobicContact CB-CE3 3.77Å; I93-W140 HydrophobicContact CB-CH2 4.36Å; I93-W140 HydrophobicContact CB-CZ3 3.87Å; I93-W140 HydrophobicContact CD1-CE3 4.4Å; I93-W140 HydrophobicContact CD1-CZ3 4.12Å; I93-W140 HydrophobicContact CG1-CE3 4.1Å; I93-W140 HydrophobicContact CG1-CH2 4.23Å; I93-W140 HydrophobicContact CG1-CZ3 3.72Å; P138-W140 VanDerWaalsContact CB-CD1 3.42Å; P138-W140 HydrophobicContact CB-CD2 4.13Å; P138-W140 HydrophobicContact CB-CG 4.06Å; P138-W140 HydrophobicContact CB-CZ2 4.09Å; P138-W140 HydrophobicContact CG-CZ2 4.07Å; P138-W140 PolarHBondContact O-N 3.39Å; P138-W140 VanDerWaalsContact O-N 3.12Å; W140-Q144 WeakPolarHBondContact O-CG 3.19Å; W140-Q144 PolarHBondContact O-NE2 3.27Å; W140-H191 HydrophobicContact CH2-CB 3.87Å; W140-H191 AromaticContact CH2-CG 3.75Å; W140-H191 AromaticContact CH2-ND1 3.94Å; W140-H191 HydrophobicContact CZ3-CB 4.37Å; W140-H191 AromaticContact CZ3-CD2 3.93Å; W140-H191 AromaticContact CZ3-CG 3.86Å
141	L	98.2	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-81.1	-48.9	174.3	176	56.6	0	0	0	109.9	W86 I137 P138 L139 N143 Q144 F145 A188 H191	W86-L141 HydrophobicContact CH2-CD2 3.62Å; W86-L141 HydrophobicContact CZ2-CD2 3.9Å; W86-L141 HydrophobicContact CZ3-CD2 4.44Å; I137-L141 HydrophobicContact CG2-CD2 4.04Å; P138-L141 WeakPolarHBondContact O-CB 3.4Å; P138-L141 PolarHBondContact O-N 2.65Å; L139-L141 PolarHBondContact O-N 3.12Å; L141-N143 PolarHBondContact O-N 2.96Å; L141-Q144 WeakPolarHBondContact O-CB 3.41Å; L141-Q144 PolarHBondContact O-N 3.44Å; L141-F145 HydrophobicContact CD1-CE1 4.01Å; L141-F145 HydrophobicContact CD1-CZ 4.34Å; L141-F145 HydrophobicContact CG-CE1 4.24Å; L141-F145 HydrophobicContact CG-CZ 4.12Å; L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.36Å; L141-H191 HydrophobicContact CD2-CB 4.44Å
142	I	98	Very high	96.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-34	178.4	-61.7	-59.3	0	0	0	111.8	R130 Y131 I137 P138 L139 Q144 F145	R130-I142 HydrophobicContact CB-CG2 3.65Å; R130-I142 HydrophobicContact CG-CG2 3.69Å; Y131-I142 HydrophobicContact CE2-CD1 4.26Å; Y131-I142 HydrophobicContact CE2-CG2 4.03Å; I137-I142 HydrophobicContact CB-CD1 4.23Å; I137-I142 HydrophobicContact CB-CG1 4.37Å; I137-I142 HydrophobicContact CG2-CD1 3.78Å; I137-I142 HydrophobicContact CG2-CG1 4.04Å; P138-I142 PolarHBondContact O-N 3.34Å; L139-I142 PolarHBondContact O-N 2.84Å; I142-Q144 PolarHBondContact O-N 3.35Å; I142-Q144 VanDerWaalsContact O-N 3.17Å; I142-F145 HydrophobicContact CD1-CD2 3.87Å; I142-F145 HydrophobicContact CD1-CE2 3.62Å; I142-F145 WeakPolarHBondContact O-CB 3.48Å; I142-F145 PolarHBondContact O-N 2.92Å; I142-F145 VanDerWaalsContact O-N 3.08Å
143	N	97.3	Very high	96.8	Very high	85 Å²	85	49.1 Å²	49.1	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.9	175	-72.5	-10.5	0	0	0	113.8	R130 L139 L141	R130-N143 PolarHBondContact NH2-OD1 3.14Å; L139-N143 WeakPolarHBondContact CD1-OD1 3.26Å; L139-N143 VanDerWaalsContact O-CB 3.28Å; L139-N143 WeakPolarHBondContact O-CB 3.43Å; L139-N143 PolarHBondContact O-N 3.12Å; L139-N143 PolarHBondContact O-ND2 3.46Å; L139-N143 PolarHBondContact O-OD1 2.97Å; L141-N143 PolarHBondContact O-N 2.96Å
144	Q	97.5	Very high	96.9	Very high	72 Å²	72	50 Å²	50	34%	0.336	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.4	177.3	-57.5	176.9	30.7	0	0	113	W140 L141 I142 S186	W140-Q144 WeakPolarHBondContact O-CG 3.19Å; W140-Q144 PolarHBondContact O-NE2 3.27Å; L141-Q144 WeakPolarHBondContact O-CB 3.41Å; L141-Q144 PolarHBondContact O-N 3.44Å; I142-Q144 PolarHBondContact O-N 3.35Å; I142-Q144 VanDerWaalsContact O-N 3.17Å; Q144-S186 PolarHBondContact O-OG 2.87Å
145	F	97.9	Very high	96.9	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	26%	0.262	C	S	.	.	S	Bend	trans	-79.2	145.2	175.1	-66	-8.6	0	0	0	110.4	L141 I142 R147 G177 Q180 L181 V185 A188	L141-F145 HydrophobicContact CD1-CE1 4.01Å; L141-F145 HydrophobicContact CD1-CZ 4.34Å; L141-F145 HydrophobicContact CG-CE1 4.24Å; L141-F145 HydrophobicContact CG-CZ 4.12Å; I142-F145 HydrophobicContact CD1-CD2 3.87Å; I142-F145 HydrophobicContact CD1-CE2 3.62Å; I142-F145 WeakPolarHBondContact O-CB 3.48Å; I142-F145 PolarHBondContact O-N 2.92Å; I142-F145 VanDerWaalsContact O-N 3.08Å; F145-R147 PolarHBondContact O-N 2.9Å; F145-G177 WeakPolarHBondContact CE2-O 3.47Å; F145-Q180 HydrophobicContact CB-CB 4.46Å; F145-Q180 HydrophobicContact CD1-CB 4.23Å; F145-Q180 HydrophobicContact CD2-CB 3.95Å; F145-Q180 HydrophobicContact CE1-CB 4.49Å; F145-Q180 HydrophobicContact CE2-CB 4.2Å; F145-Q180 HydrophobicContact CG-CB 3.97Å; F145-Q180 HydrophobicContact CZ-CB 4.47Å; F145-L181 HydrophobicContact CE2-CB 4.19Å; F145-L181 HydrophobicContact CZ-CB 4.16Å; F145-V185 HydrophobicContact CD1-CB 4.34Å; F145-V185 HydrophobicContact CD1-CG1 4.15Å; F145-V185 HydrophobicContact CE1-CB 4.41Å; F145-A188 HydrophobicContact CE1-CB 4.1Å; F145-A188 HydrophobicContact CZ-CB 4.05Å
146	K	96.7	Very high	96.8	Very high	171 Å²	171	53.5 Å²	53.5	74%	0.743	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-68.7	125.3	176.8	-176.8	-179.1	176.4	-174.6	0	108.5	Q180	K146-Q180 PolarHBondContact O-NE2 3.07Å
147	R	96.3	Very high	96.6	Very high	110 Å²	110	56.8 Å²	56.8	42%	0.415	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-75.8	143.7	174.1	-60.3	-167.5	74.8	-155.3	-0.2	110.7	F145 Q153 E173	F145-R147 PolarHBondContact O-N 2.9Å; R147-Q153 VanDerWaalsContact NH1-OE1 3.13Å; R147-E173 IonicContact CZ-OE1 3.3Å; R147-E173 VanDerWaalsContact CZ-OE1 3.3Å; R147-E173 IonicContact NE-OE1 3.64Å; R147-E173 PolarHBondContact NE-OE1 2.92Å; R147-E173 IonicContact NH2-OE1 2.89Å; R147-E173 PolarHBondContact NH2-OE1 2.85Å; R147-E173 IonicContact NH2-OE2 3.17Å; R147-E173 PolarHBondContact NH2-OE2 3.37Å; R147-E173 VanDerWaalsContact NH2-OE2 3.17Å
148	P	96.5	Very high	96.4	Very high	15 Å²	15	61 Å²	61	10%	0.097	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.1	167.4	169.7	33.1	-36.2	0	0	0	110.9	L152 Q153 Y172 E173	P148-L152 HydrophobicContact CB-CB 4.14Å; P148-L152 HydrophobicContact CG-CB 4.49Å; P148-Q153 HydrophobicContact CG-CG 4.04Å; P148-Q153 PolarHBondContact O-NE2 3.05Å; P148-Y172 HydrophobicContact CB-CD1 3.89Å; P148-Y172 HydrophobicContact CB-CE1 3.64Å; P148-Y172 HydrophobicContact CG-CD1 4.03Å; P148-Y172 HydrophobicContact CG-CE1 4.25Å; P148-E173 HydrophobicContact CG-CB 4.34Å; P148-E173 HydrophobicContact CG-CG 3.72Å
149	P	96.8	Very high	96.1	Very high	87 Å²	87	70.5 Å²	70.5	57%	0.565	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-50.8	146	171	-25.5	34.7	0	0	0	111.5	I151 L152 Q153	P149-I151 HydrophobicContact CB-CG2 4.39Å; P149-I151 PolarHBondContact O-N 2.99Å; P149-L152 PolarHBondContact O-N 3.09Å; P149-Q153 PolarHBondContact O-N 2.81Å
150	T	96.2	Very high	95.8	Very high	116 Å²	116	73.9 Å²	73.9	71%	0.712	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-51.9	-32.1	-173.2	-48.2	0	0	0	0	114.2	L152 Q153	T150-L152 PolarHBondContact O-N 3.15Å; T150-Q153 PolarHBondContact O-N 3.1Å
151	I	96.1	Very high	95.4	Very high	137 Å²	137	76.1 Å²	76.1	70%	0.703	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18.4	178.4	-164.7	166.6	0	0	0	114.4	P149	P149-I151 HydrophobicContact CB-CG2 4.39Å; P149-I151 PolarHBondContact O-N 2.99Å
152	L	96.5	Very high	95	Very high	38 Å²	38	76.8 Å²	76.8	20%	0.199	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-109.1	6.4	178.1	-59.1	-179.8	0	0	0	112.3	P148 P149 T150 W156 Y172	P148-L152 HydrophobicContact CB-CB 4.14Å; P148-L152 HydrophobicContact CG-CB 4.49Å; P149-L152 PolarHBondContact O-N 3.09Å; T150-L152 PolarHBondContact O-N 3.15Å; L152-W156 HydrophobicContact CD2-CD2 3.87Å; L152-W156 HydrophobicContact CD2-CE3 4.07Å; L152-W156 HydrophobicContact CD2-CG 4.48Å; L152-W156 HydrophobicContact CD2-CH2 4.12Å; L152-W156 HydrophobicContact CD2-CZ2 3.92Å; L152-W156 HydrophobicContact CD2-CZ3 4.21Å; L152-Y172 HydrophobicContact CB-CD1 3.89Å; L152-Y172 HydrophobicContact CB-CE1 4.33Å; L152-Y172 HydrophobicContact CB-CG 4.08Å; L152-Y172 HydrophobicContact CD1-CD1 4.36Å; L152-Y172 HydrophobicContact CD1-CD2 4.34Å; L152-Y172 HydrophobicContact CD1-CE1 4.07Å; L152-Y172 HydrophobicContact CD1-CE2 4.02Å
153	Q	96.5	Very high	94.4	Very high	32 Å²	32	83.4 Å²	83.4	15%	0.15	41%	0.413	C	S	.	.	S	Bend	trans	-75.8	169.3	172.8	-70.6	175.2	14.5	0	0	109.8	R147 P148 P149 T150 W156 E173	R147-Q153 VanDerWaalsContact NH1-OE1 3.13Å; P148-Q153 HydrophobicContact CG-CG 4.04Å; P148-Q153 PolarHBondContact O-NE2 3.05Å; P149-Q153 PolarHBondContact O-N 2.81Å; T150-Q153 PolarHBondContact O-N 3.1Å; Q153-W156 WeakPolarHBondContact O-CB 3.13Å; Q153-W156 PolarHBondContact O-N 3.3Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.45Å; Q153-E173 VanDerWaalsContact CB-OE2 3.26Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.49Å; Q153-E173 HydrophobicContact CG-CG 4.47Å
154	E	95	Very high	93.9	Very high	36 Å²	36	86.2 Å²	86.2	17%	0.168	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	139.6	175.8	-63.3	-56.5	157.7	0	0	111.9	Y131 L161 T171 E173 C174	Y131-E154 HydrophobicContact CD1-CG 4.19Å; E154-L161 HydrophobicContact CB-CD2 3.87Å; E154-L161 HydrophobicContact CG-CD2 4.5Å; E154-T171 VanDerWaalsContact CD-OG1 3.22Å; E154-T171 WeakPolarHBondContact OE1-CB 3.46Å; E154-T171 PolarHBondContact OE1-OG1 2.91Å; E154-T171 WeakPolarHBondContact OE2-CB 3.34Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.42Å; E154-T171 PolarHBondContact OE2-OG1 2.52Å; E154-T171 VanDerWaalsContact OE2-OG1 3.13Å; E154-E173 HydrophobicContact CG-CB 4.02Å; E154-E173 PolarHBondContact N-OE2 3.14Å; E154-E173 WeakPolarHBondContact OE1-CB 3.46Å; E154-C174 PolarHBondContact OE1-N 2.96Å
155	P	94.1	Very high	93.3	Very high	37 Å²	37	85 Å²	85	24%	0.24	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95	15.8	7.9	36.5	-35.5	0	0	0	115.4	T157 Y158 K160 L161	P155-T157 PolarHBondContact O-N 3.06Å; P155-Y158 WeakPolarHBondContact O-CA 3.45Å; P155-Y158 WeakPolarHBondContact O-CB 3.46Å; P155-Y158 PolarHBondContact O-N 2.92Å; P155-K160 VanDerWaalsContact CB-C 3.41Å; P155-L161 HydrophobicContact CB-CD2 3.78Å; P155-L161 HydrophobicContact CB-CG 4.21Å
156	W	94.8	Very high	92.7	Very high	89 Å²	89	85 Å²	85	34%	0.337	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	131.9	-172.1	-172.7	93.3	0	0	0	112	L152 Q153 T171 Y172 Y224	L152-W156 HydrophobicContact CD2-CD2 3.87Å; L152-W156 HydrophobicContact CD2-CE3 4.07Å; L152-W156 HydrophobicContact CD2-CG 4.48Å; L152-W156 HydrophobicContact CD2-CH2 4.12Å; L152-W156 HydrophobicContact CD2-CZ2 3.92Å; L152-W156 HydrophobicContact CD2-CZ3 4.21Å; Q153-W156 WeakPolarHBondContact O-CB 3.13Å; Q153-W156 PolarHBondContact O-N 3.3Å; W156-T171 VanDerWaalsContact O-CA 3.25Å; W156-T171 WeakPolarHBondContact O-CA 3.09Å; W156-T171 WeakPolarHBondContact O-CB 3.39Å; W156-Y172 HydrophobicContact CE3-CD2 4.29Å; W156-Y172 HydrophobicContact CE3-CG 4.18Å; W156-Y172 HydrophobicContact CH2-CD2 4.39Å; W156-Y172 AromaticContact CZ3-CD2 3.66Å; W156-Y172 HydrophobicContact CZ3-CD2 3.66Å; W156-Y172 HydrophobicContact CZ3-CG 4.01Å; W156-Y172 PolarHBondContact O-N 3.33Å; W156-Y224 AromaticContact CH2-CD1 3.95Å; W156-Y224 HydrophobicContact CH2-CD1 3.95Å; W156-Y224 AromaticContact CH2-CE1 3.83Å; W156-Y224 HydrophobicContact CH2-CE1 3.83Å; W156-Y224 AromaticContact CZ3-CD1 3.94Å; W156-Y224 HydrophobicContact CZ3-CD1 3.94Å; W156-Y224 HydrophobicContact CZ3-CD2 4.44Å; W156-Y224 AromaticContact CZ3-CE1 3.67Å; W156-Y224 HydrophobicContact CZ3-CE1 3.67Å; W156-Y224 HydrophobicContact CZ3-CE2 4.2Å; W156-Y224 HydrophobicContact CZ3-CG 4.32Å; W156-Y224 AromaticContact CZ3-CZ 3.82Å
157	T	93.3	Very high	92.4	Very high	70 Å²	70	77.4 Å²	77.4	43%	0.429	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.4	1.5	15.5	56.7	0	0	0	0	116.5	P155 Y224	P155-T157 PolarHBondContact O-N 3.06Å; T157-Y224 HydrophobicContact CG2-CE1 4.14Å
158	Y	92.8	Very high	92.3	Very high	87 Å²	87	73 Å²	73	34%	0.341	37%	0.367	S	S	.	.	S	Bend	trans	-81.4	160.5	-179.9	-59.2	-81.5	0	0	0	111.8	P155 K160 P162 L170 T171	P155-Y158 WeakPolarHBondContact O-CA 3.45Å; P155-Y158 WeakPolarHBondContact O-CB 3.46Å; P155-Y158 PolarHBondContact O-N 2.92Å; Y158-K160 WeakPolarHBondContact CB-O 3.16Å; Y158-P162 HydrophobicContact CD2-CG 3.72Å; Y158-P162 HydrophobicContact CE2-CG 3.73Å; Y158-P162 HydrophobicContact CG-CG 4.31Å; Y158-L170 HydrophobicContact CE2-CB 4.25Å; Y158-L170 VanDerWaalsContact OH-CD1 3.27Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.12Å; Y158-T171 HydrophobicContact CD2-CG2 3.9Å; Y158-T171 HydrophobicContact CE2-CG2 4.04Å
159	E	91.7	Very high	92.2	Very high	201 Å²	201	73.4 Å²	73.4	94%	0.939	37%	0.367	S	S	*	.	S	Bend	trans	-77.1	-29.9	172.1	-64.4	-176.9	174.6	0	0	112.4
160	K	92.6	Very high	92	Very high	127 Å²	127	73.2 Å²	73.2	55%	0.552	36%	0.36	S	S	*	.	S	Bend	trans	-135.6	161	176.6	65.1	164.4	-171.5	145.4	0	109.9	P155 Y158 D163	P155-K160 VanDerWaalsContact CB-C 3.41Å; Y158-K160 WeakPolarHBondContact CB-O 3.16Å; K160-D163 VanDerWaalsContact NZ-CG 3.34Å; K160-D163 IonicContact NZ-OD1 2.9Å; K160-D163 PolarHBondContact NZ-OD1 3.4Å; K160-D163 IonicContact NZ-OD2 2.84Å; K160-D163 PolarHBondContact NZ-OD2 2.83Å
161	L	89.9	Confident	92	Very high	77 Å²	77	67.7 Å²	67.7	40%	0.403	33%	0.326	S	S	.	.			trans	-57.3	137.3	173.7	-64.2	171	0	0	0	110	E154 P155 Y168	E154-L161 HydrophobicContact CB-CD2 3.87Å; E154-L161 HydrophobicContact CG-CD2 4.5Å; P155-L161 HydrophobicContact CB-CD2 3.78Å; P155-L161 HydrophobicContact CB-CG 4.21Å; L161-Y168 HydrophobicContact CB-CE1 4.17Å; L161-Y168 HydrophobicContact CD2-CE1 3.97Å
162	P	88.2	Confident	92.1	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.091	30%	0.299	C	S	.	.			trans	-61.7	145.7	178	-22.8	33.1	0	0	0	112.9	Y158 W164 A167 Y168	Y158-P162 HydrophobicContact CD2-CG 3.72Å; Y158-P162 HydrophobicContact CE2-CG 3.73Å; Y158-P162 HydrophobicContact CG-CG 4.31Å; P162-W164 VanDerWaalsContact C-N 3.31Å; P162-A167 HydrophobicContact CB-CB 3.51Å; P162-A167 HydrophobicContact CG-CB 3.95Å; P162-Y168 HydrophobicContact CB-CD2 4.34Å; P162-Y168 HydrophobicContact CB-CE2 4.17Å; P162-Y168 HydrophobicContact CG-CD2 4.47Å; P162-Y168 VanDerWaalsContact O-CE2 3.25Å; P162-Y168 WeakPolarHBondContact O-CE2 3.29Å; P162-Y168 VanDerWaalsContact O-CZ 3.31Å; P162-Y168 PolarHBondContact O-OH 3.37Å
163	D	86.5	Confident	92.1	Very high	142 Å²	142	61.2 Å²	61.2	76%	0.759	29%	0.291	S	S	*	.	S	Bend	trans	-77.5	-20.1	178	-57.2	-37.7	0	0	0	111.9	K160	K160-D163 VanDerWaalsContact NZ-CG 3.34Å; K160-D163 IonicContact NZ-OD1 2.9Å; K160-D163 PolarHBondContact NZ-OD1 3.4Å; K160-D163 IonicContact NZ-OD2 2.84Å; K160-D163 PolarHBondContact NZ-OD2 2.83Å
164	W	85.5	Confident	92.2	Very high	143 Å²	143	59.7 Å²	59.7	54%	0.542	28%	0.284	S	S	.	.	S	Bend	trans	-107.5	129.2	179	169.3	50.4	0	0	0	111.5	P162 G166 A167 Y168	P162-W164 VanDerWaalsContact C-N 3.31Å; W164-G166 VanDerWaalsContact C-N 3.29Å; W164-G166 PolarHBondContact O-N 2.89Å; W164-A167 HydrophobicContact CE3-CB 3.79Å; W164-A167 HydrophobicContact CZ3-CB 4.36Å; W164-A167 WeakPolarHBondContact O-CB 3.34Å; W164-A167 PolarHBondContact O-N 3.08Å; W164-Y168 WeakPolarHBondContact O-CD2 3.46Å
165	E	85.8	Confident	92.3	Very high	48 Å²	48	58 Å²	58	22%	0.224	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57	-34.6	-174.9	-60.8	-179	152.7	0	0	113.7	K54 D125 T133 A167 Y168	K54-E165 IonicContact NZ-OE2 2.95Å; K54-E165 PolarHBondContact NZ-OE2 3.19Å; D125-E165 HydrophobicContact CB-CB 3.68Å; D125-E165 HydrophobicContact CB-CG 4.45Å; D125-E165 WeakPolarHBondContact CB-OE2 3.47Å; T133-E165 HydrophobicContact CG2-CB 4.06Å; T133-E165 HydrophobicContact CG2-CG 4.06Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 2.93Å; E165-Y168 WeakPolarHBondContact O-CB 3.4Å; E165-Y168 VanDerWaalsContact O-CD2 3.28Å; E165-Y168 WeakPolarHBondContact O-CD2 3.3Å; E165-Y168 PolarHBondContact O-N 2.79Å
166	G	85.4	Confident	92.5	Very high	9 Å²	9	58.1 Å²	58.1	9%	0.093	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.1	178.3	0	0	0	0	0	114.3	W164 Y168 Y169	W164-G166 VanDerWaalsContact C-N 3.29Å; W164-G166 PolarHBondContact O-N 2.89Å; G166-Y168 PolarHBondContact O-N 3.28Å; G166-Y169 VanDerWaalsContact O-CD2 3.29Å; G166-Y169 WeakPolarHBondContact O-CD2 3.27Å; G166-Y169 PolarHBondContact O-N 3.05Å
167	A	90.8	Very high	92.6	Very high	11 Å²	11	54 Å²	54	9%	0.091	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-71.3	-18.3	178.5	0	0	0	0	0	112.7	P162 W164 E165 Y169 L170	P162-A167 HydrophobicContact CB-CB 3.51Å; P162-A167 HydrophobicContact CG-CB 3.95Å; W164-A167 HydrophobicContact CE3-CB 3.79Å; W164-A167 HydrophobicContact CZ3-CB 4.36Å; W164-A167 WeakPolarHBondContact O-CB 3.34Å; W164-A167 PolarHBondContact O-N 3.08Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 2.93Å; A167-Y169 PolarHBondContact O-N 3.15Å; A167-L170 WeakPolarHBondContact O-CB 3.26Å; A167-L170 PolarHBondContact O-N 3.03Å
168	Y	93.7	Very high	92.9	Very high	18 Å²	18	50.6 Å²	50.6	7%	0.071	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-62.1	-26.3	173.7	-70.6	-93.7	0	0	0	111.9	Y131 T133 L161 P162 W164 E165 G166 L170 T171 C174	Y131-Y168 WeakPolarHBondContact O-CD1 3.07Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.26Å; T133-Y168 HydrophobicContact CG2-CD2 3.75Å; T133-Y168 HydrophobicContact CG2-CE2 3.9Å; T133-Y168 HydrophobicContact CG2-CG 4.09Å; L161-Y168 HydrophobicContact CB-CE1 4.17Å; L161-Y168 HydrophobicContact CD2-CE1 3.97Å; P162-Y168 HydrophobicContact CB-CD2 4.34Å; P162-Y168 HydrophobicContact CB-CE2 4.17Å; P162-Y168 HydrophobicContact CG-CD2 4.47Å; P162-Y168 VanDerWaalsContact O-CE2 3.25Å; P162-Y168 WeakPolarHBondContact O-CE2 3.29Å; P162-Y168 VanDerWaalsContact O-CZ 3.31Å; P162-Y168 PolarHBondContact O-OH 3.37Å; W164-Y168 WeakPolarHBondContact O-CD2 3.46Å; E165-Y168 WeakPolarHBondContact O-CB 3.4Å; E165-Y168 VanDerWaalsContact O-CD2 3.28Å; E165-Y168 WeakPolarHBondContact O-CD2 3.3Å; E165-Y168 PolarHBondContact O-N 2.79Å; G166-Y168 PolarHBondContact O-N 3.28Å; Y168-L170 PolarHBondContact O-N 3.17Å; Y168-T171 PolarHBondContact O-N 3.4Å; Y168-T171 PolarHBondContact O-OG1 3.12Å; Y168-C174 WeakPolarHBondContact O-CB 3.44Å
169	Y	93.9	Very high	93.1	Very high	23 Å²	23	46.7 Å²	46.7	9%	0.09	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.6	-14.5	174.8	-60.6	-44.1	0	0	0	114.3	Q124 D125 G126 L127 G166 A167 E217 P219	Q124-Y169 PolarHBondContact NE2-OH 2.97Å; Q124-Y169 PolarHBondContact OE1-OH 3.29Å; D125-Y169 WeakPolarHBondContact CA-OH 3.43Å; G126-Y169 PolarHBondContact N-OH 2.98Å; G126-Y169 VanDerWaalsContact N-OH 3.1Å; L127-Y169 HydrophobicContact CG-CE1 4.42Å; G166-Y169 VanDerWaalsContact O-CD2 3.29Å; G166-Y169 WeakPolarHBondContact O-CD2 3.27Å; G166-Y169 PolarHBondContact O-N 3.05Å; A167-Y169 PolarHBondContact O-N 3.15Å; Y169-E217 PolarHBondContact OH-O 3.45Å; Y169-P219 HydrophobicContact CD1-CB 3.56Å; Y169-P219 HydrophobicContact CD1-CG 3.97Å; Y169-P219 HydrophobicContact CE1-CB 3.89Å; Y169-P219 HydrophobicContact CE1-CG 3.85Å; Y169-P219 HydrophobicContact CG-CB 3.98Å
170	L	94	Very high	93.5	Very high	82 Å²	82	37.6 Å²	37.6	43%	0.429	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-88.9	-12.8	176.4	-60.3	175.7	0	0	0	112.9	Y158 A167 Y168 F223 Y224	Y158-L170 HydrophobicContact CE2-CB 4.25Å; Y158-L170 VanDerWaalsContact OH-CD1 3.27Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.12Å; A167-L170 WeakPolarHBondContact O-CB 3.26Å; A167-L170 PolarHBondContact O-N 3.03Å; Y168-L170 PolarHBondContact O-N 3.17Å; L170-F223 HydrophobicContact CD2-CE1 4.47Å; L170-F223 HydrophobicContact CD2-CZ 4.2Å; L170-Y224 PolarHBondContact O-OH 3.07Å
171	T	96.2	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-75.4	153.9	177	71.1	0	0	0	0	110.3	E154 W156 Y158 Y168 C174 S175	E154-T171 VanDerWaalsContact CD-OG1 3.22Å; E154-T171 WeakPolarHBondContact OE1-CB 3.46Å; E154-T171 PolarHBondContact OE1-OG1 2.91Å; E154-T171 WeakPolarHBondContact OE2-CB 3.34Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.42Å; E154-T171 PolarHBondContact OE2-OG1 2.52Å; E154-T171 VanDerWaalsContact OE2-OG1 3.13Å; W156-T171 VanDerWaalsContact O-CA 3.25Å; W156-T171 WeakPolarHBondContact O-CA 3.09Å; W156-T171 WeakPolarHBondContact O-CB 3.39Å; Y158-T171 HydrophobicContact CD2-CG2 3.9Å; Y158-T171 HydrophobicContact CE2-CG2 4.04Å; Y168-T171 PolarHBondContact O-N 3.4Å; Y168-T171 PolarHBondContact O-OG1 3.12Å; T171-C174 WeakPolarHBondContact OG1-CB 3.42Å; T171-C174 PolarHBondContact OG1-N 3.3Å; T171-S175 VanDerWaalsContact O-CB 3.27Å; T171-S175 WeakPolarHBondContact O-CB 3.43Å; T171-S175 PolarHBondContact O-N 3.31Å; T171-S175 VanDerWaalsContact O-N 3.09Å; T171-S175 PolarHBondContact O-OG 3.5Å
172	Y	97.1	Very high	94.1	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.133	14%	0.136	C	C	.	.	H	α-helix	trans	-70.2	-42.4	-178.8	-172.1	-74.9	0	0	0	112	P148 L152 W156 S175 E176 Y224	P148-Y172 HydrophobicContact CB-CD1 3.89Å; P148-Y172 HydrophobicContact CB-CE1 3.64Å; P148-Y172 HydrophobicContact CG-CD1 4.03Å; P148-Y172 HydrophobicContact CG-CE1 4.25Å; L152-Y172 HydrophobicContact CB-CD1 3.89Å; L152-Y172 HydrophobicContact CB-CE1 4.33Å; L152-Y172 HydrophobicContact CB-CG 4.08Å; L152-Y172 HydrophobicContact CD1-CD1 4.36Å; L152-Y172 HydrophobicContact CD1-CD2 4.34Å; L152-Y172 HydrophobicContact CD1-CE1 4.07Å; L152-Y172 HydrophobicContact CD1-CE2 4.02Å; W156-Y172 HydrophobicContact CE3-CD2 4.29Å; W156-Y172 HydrophobicContact CE3-CG 4.18Å; W156-Y172 HydrophobicContact CH2-CD2 4.39Å; W156-Y172 AromaticContact CZ3-CD2 3.66Å; W156-Y172 HydrophobicContact CZ3-CD2 3.66Å; W156-Y172 HydrophobicContact CZ3-CG 4.01Å; W156-Y172 PolarHBondContact O-N 3.33Å; Y172-S175 WeakPolarHBondContact CA-OG 3.37Å; Y172-S175 PolarHBondContact O-N 3.5Å; Y172-S175 PolarHBondContact O-OG 2.59Å; Y172-S175 VanDerWaalsContact O-OG 3.13Å; Y172-E176 HydrophobicContact CD1-CB 4.28Å; Y172-E176 HydrophobicContact CE1-CB 4.15Å; Y172-E176 HydrophobicContact CE1-CG 4.43Å; Y172-E176 WeakPolarHBondContact O-CB 3.29Å; Y172-E176 PolarHBondContact O-N 2.84Å; Y172-Y224 HydrophobicContact CD2-CD1 4.46Å; Y172-Y224 AromaticContact CD2-CD2 3.61Å; Y172-Y224 HydrophobicContact CD2-CD2 3.61Å; Y172-Y224 HydrophobicContact CD2-CE2 4.37Å; Y172-Y224 AromaticContact CD2-CG 3.67Å; Y172-Y224 HydrophobicContact CD2-CG 3.67Å; Y172-Y224 HydrophobicContact CE2-CD2 4.35Å; Y172-Y224 HydrophobicContact CE2-CG 4.14Å; Y172-Y224 HydrophobicContact CG-CD2 4.26Å
173	E	97.3	Very high	94.6	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-43.9	-176.4	-146.1	-174.9	165	0	0	111.7	Y131 R147 P148 Q153 E154 G177	Y131-E173 HydrophobicContact CD1-CB 4.01Å; Y131-E173 HydrophobicContact CD1-CG 4.17Å; Y131-E173 HydrophobicContact CE1-CB 3.96Å; Y131-E173 HydrophobicContact CE1-CG 3.73Å; Y131-E173 WeakPolarHBondContact CE1-O 3.33Å; R147-E173 IonicContact CZ-OE1 3.3Å; R147-E173 VanDerWaalsContact CZ-OE1 3.3Å; R147-E173 IonicContact NE-OE1 3.64Å; R147-E173 PolarHBondContact NE-OE1 2.92Å; R147-E173 IonicContact NH2-OE1 2.89Å; R147-E173 PolarHBondContact NH2-OE1 2.85Å; R147-E173 IonicContact NH2-OE2 3.17Å; R147-E173 PolarHBondContact NH2-OE2 3.37Å; R147-E173 VanDerWaalsContact NH2-OE2 3.17Å; P148-E173 HydrophobicContact CG-CB 4.34Å; P148-E173 HydrophobicContact CG-CG 3.72Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.45Å; Q153-E173 VanDerWaalsContact CB-OE2 3.26Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.49Å; Q153-E173 HydrophobicContact CG-CG 4.47Å; E154-E173 HydrophobicContact CG-CB 4.02Å; E154-E173 PolarHBondContact N-OE2 3.14Å; E154-E173 WeakPolarHBondContact OE1-CB 3.46Å; E173-G177 PolarHBondContact O-N 3.3Å
174	C	97.2	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-46.4	175.5	-174	0	0	0	0	112.3	L127 Y131 E154 Y168 T171 E176 G177 A178	L127-C174 WeakPolarHBondContact CD1-O 3.15Å; Y131-C174 HydrophobicContact CD1-CB 4.23Å; Y131-C174 HydrophobicContact CD2-CB 4.22Å; Y131-C174 HydrophobicContact CG-CB 3.92Å; E154-C174 PolarHBondContact OE1-N 2.96Å; Y168-C174 WeakPolarHBondContact O-CB 3.44Å; T171-C174 WeakPolarHBondContact OG1-CB 3.42Å; T171-C174 PolarHBondContact OG1-N 3.3Å; C174-E176 VanDerWaalsContact C-N 3.31Å; C174-E176 PolarHBondContact O-N 2.7Å; C174-G177 WeakPolarHBondContact O-CA 3.36Å; C174-G177 PolarHBondContact O-N 3.4Å; C174-G177 VanDerWaalsContact O-N 3.1Å; C174-A178 PolarHBondContact O-N 2.98Å
175	S	97.5	Very high	95.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-33.8	178.5	64.6	0	0	0	0	112.9	T171 Y172 Q179 G221 N222	T171-S175 VanDerWaalsContact O-CB 3.27Å; T171-S175 WeakPolarHBondContact O-CB 3.43Å; T171-S175 PolarHBondContact O-N 3.31Å; T171-S175 VanDerWaalsContact O-N 3.09Å; T171-S175 PolarHBondContact O-OG 3.5Å; Y172-S175 WeakPolarHBondContact CA-OG 3.37Å; Y172-S175 PolarHBondContact O-N 3.5Å; Y172-S175 PolarHBondContact O-OG 2.59Å; Y172-S175 VanDerWaalsContact O-OG 3.13Å; S175-Q179 PolarHBondContact O-N 3.47Å; S175-G221 CarbonylContact O-C 3.26Å; S175-N222 WeakPolarHBondContact O-CA 3.23Å; S175-N222 WeakPolarHBondContact O-CB 3.32Å; S175-N222 PolarHBondContact O-N 3.31Å; S175-N222 VanDerWaalsContact O-N 3.1Å
176	E	98	Very high	96.3	Very high	40 Å²	40	24.3 Å²	24.3	19%	0.187	13%	0.129	C	C	.	.	H	α-helix	trans	-68.8	-38.9	170.2	-178.8	61	-173	0	0	112.2	Y172 C174 Q179 Q180 N222	Y172-E176 HydrophobicContact CD1-CB 4.28Å; Y172-E176 HydrophobicContact CE1-CB 4.15Å; Y172-E176 HydrophobicContact CE1-CG 4.43Å; Y172-E176 WeakPolarHBondContact O-CB 3.29Å; Y172-E176 PolarHBondContact O-N 2.84Å; C174-E176 VanDerWaalsContact C-N 3.31Å; C174-E176 PolarHBondContact O-N 2.7Å; E176-Q179 PolarHBondContact O-N 3.43Å; E176-Q180 WeakPolarHBondContact O-CG 3.08Å; E176-Q180 PolarHBondContact O-N 3.14Å; E176-N222 PolarHBondContact OE2-ND2 3.03Å
177	G	98.1	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-58	-46.6	171.3	0	0	0	0	0	112.5	Y131 F145 E173 C174 Q179 Q180 L181	Y131-G177 VanDerWaalsContact OH-CA 3.3Å; Y131-G177 WeakPolarHBondContact OH-CA 3.5Å; F145-G177 WeakPolarHBondContact CE2-O 3.47Å; E173-G177 PolarHBondContact O-N 3.3Å; C174-G177 WeakPolarHBondContact O-CA 3.36Å; C174-G177 PolarHBondContact O-N 3.4Å; C174-G177 VanDerWaalsContact O-N 3.1Å; G177-Q179 VanDerWaalsContact C-N 3.35Å; G177-Q179 PolarHBondContact O-N 3.3Å; G177-Q180 PolarHBondContact O-N 3.07Å; G177-L181 PolarHBondContact O-N 2.93Å
178	A	98.1	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-44.9	173.9	0	0	0	0	0	111.6	L127 C174 Q180 L181 Y182 P219	L127-A178 HydrophobicContact CD1-CB 4.04Å; C174-A178 PolarHBondContact O-N 2.98Å; A178-Q180 PolarHBondContact O-N 3.02Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.1Å; A178-Y182 HydrophobicContact CB-CE2 4.09Å; A178-Y182 WeakPolarHBondContact O-CD2 3.24Å; A178-Y182 WeakPolarHBondContact O-CE2 3.48Å; A178-Y182 VanDerWaalsContact O-CG 3.28Å; A178-Y182 PolarHBondContact O-N 3.33Å; A178-P219 HydrophobicContact CB-CB 4Å; A178-P219 HydrophobicContact CB-CG 3.5Å; A178-P219 VanDerWaalsContact CB-CG 3.5Å
179	Q	98.4	Very high	97.4	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-42.9	179.1	-167.6	56.6	38.2	0	0	112.2	S175 E176 G177 L181 Y182 E183 N222 R229 N239	S175-Q179 PolarHBondContact O-N 3.47Å; E176-Q179 PolarHBondContact O-N 3.43Å; G177-Q179 VanDerWaalsContact C-N 3.35Å; G177-Q179 PolarHBondContact O-N 3.3Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 3.42Å; Q179-Y182 PolarHBondContact O-N 3.38Å; Q179-Y182 VanDerWaalsContact O-N 3.17Å; Q179-E183 HydrophobicContact CG-CG 4.38Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.1Å; Q179-E183 PolarHBondContact NE2-OE1 3.02Å; Q179-E183 WeakPolarHBondContact O-CB 3.49Å; Q179-E183 WeakPolarHBondContact O-CG 3.21Å; Q179-E183 PolarHBondContact O-N 3.45Å; Q179-N222 HydrophobicContact CB-CB 3.79Å; Q179-N222 HydrophobicContact CG-CB 4.27Å; Q179-R229 VanDerWaalsContact CD-NE 3.3Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.12Å; Q179-R229 VanDerWaalsContact OE1-CD 3.26Å; Q179-R229 VanDerWaalsContact OE1-NE 3.09Å; Q179-N239 PolarHBondContact NE2-OD1 3.05Å; Q179-N239 PolarHBondContact OE1-ND2 3.11Å; Q179-N239 VanDerWaalsContact OE1-ND2 3.11Å
180	Q	98.5	Very high	97.7	Very high	10 Å²	10	28 Å²	28	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-35.5	177.4	-72.8	-174.3	79.8	0	0	112.3	F145 K146 E176 G177 A178 E183 N184 V185	F145-Q180 HydrophobicContact CB-CB 4.46Å; F145-Q180 HydrophobicContact CD1-CB 4.23Å; F145-Q180 HydrophobicContact CD2-CB 3.95Å; F145-Q180 HydrophobicContact CE1-CB 4.49Å; F145-Q180 HydrophobicContact CE2-CB 4.2Å; F145-Q180 HydrophobicContact CG-CB 3.97Å; F145-Q180 HydrophobicContact CZ-CB 4.47Å; K146-Q180 PolarHBondContact O-NE2 3.07Å; E176-Q180 WeakPolarHBondContact O-CG 3.08Å; E176-Q180 PolarHBondContact O-N 3.14Å; G177-Q180 PolarHBondContact O-N 3.07Å; A178-Q180 PolarHBondContact O-N 3.02Å; Q180-E183 PolarHBondContact O-N 3.43Å; Q180-N184 PolarHBondContact O-N 3.44Å; Q180-V185 HydrophobicContact CB-CB 3.91Å; Q180-V185 HydrophobicContact CB-CG1 4.46Å; Q180-V185 HydrophobicContact CB-CG2 3.82Å; Q180-V185 HydrophobicContact CG-CB 4.36Å; Q180-V185 HydrophobicContact CG-CG2 3.91Å; Q180-V185 WeakPolarHBondContact O-CB 3.15Å; Q180-V185 PolarHBondContact O-N 3.02Å
181	L	98.4	Very high	97.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-46.3	170.6	178.6	62.1	0	0	0	111.2	I137 F145 G177 A178 Q179 N184 A188 W189 W192	I137-L181 HydrophobicContact CD1-CD2 4.25Å; F145-L181 HydrophobicContact CE2-CB 4.19Å; F145-L181 HydrophobicContact CZ-CB 4.16Å; G177-L181 PolarHBondContact O-N 2.93Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.1Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 3.42Å; L181-N184 PolarHBondContact O-N 3.17Å; L181-A188 HydrophobicContact CD1-CB 3.86Å; L181-W189 VanDerWaalsContact O-CD1 3.31Å; L181-W189 PolarHBondContact O-NE1 3.33Å; L181-W192 HydrophobicContact CD1-CE3 4.04Å; L181-W192 HydrophobicContact CD1-CZ3 4.4Å; L181-W192 HydrophobicContact CD2-CZ3 4.23Å; L181-W192 HydrophobicContact CG-CE3 4.34Å; L181-W192 HydrophobicContact CG-CZ3 4.19Å
182	Y	98.4	Very high	98	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-29.5	178.7	-56.7	-39	0	0	0	113.7	A178 Q179 N184 W189 P219 N239 L240 V243	A178-Y182 HydrophobicContact CB-CE2 4.09Å; A178-Y182 WeakPolarHBondContact O-CD2 3.24Å; A178-Y182 WeakPolarHBondContact O-CE2 3.48Å; A178-Y182 VanDerWaalsContact O-CG 3.28Å; A178-Y182 PolarHBondContact O-N 3.33Å; Q179-Y182 PolarHBondContact O-N 3.38Å; Q179-Y182 VanDerWaalsContact O-N 3.17Å; Y182-N184 PolarHBondContact O-N 3Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.49Å; Y182-W189 PolarHBondContact O-NE1 3.35Å; Y182-P219 VanDerWaalsContact CE2-O 3.31Å; Y182-P219 WeakPolarHBondContact CE2-O 3.46Å; Y182-P219 VanDerWaalsContact OH-CD 3.28Å; Y182-P219 WeakPolarHBondContact OH-CD 3.44Å; Y182-P219 PolarHBondContact OH-O 3.26Å; Y182-N239 HydrophobicContact CD1-CB 4.44Å; Y182-N239 HydrophobicContact CD2-CB 3.54Å; Y182-N239 HydrophobicContact CE2-CB 4.14Å; Y182-N239 HydrophobicContact CG-CB 3.73Å; Y182-L240 HydrophobicContact CD1-CD2 4.34Å; Y182-L240 HydrophobicContact CE1-CD2 3.58Å; Y182-L240 HydrophobicContact CE2-CD2 4.38Å; Y182-V243 HydrophobicContact CD1-CG2 4.15Å
183	E	98	Very high	98	Very high	104 Å²	104	23.7 Å²	23.7	49%	0.486	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	8.9	177.8	-71.7	176.3	-179.4	0	0	113.4	Q179 Q180 V185 R229	Q179-E183 HydrophobicContact CG-CG 4.38Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.1Å; Q179-E183 PolarHBondContact NE2-OE1 3.02Å; Q179-E183 WeakPolarHBondContact O-CB 3.49Å; Q179-E183 WeakPolarHBondContact O-CG 3.21Å; Q179-E183 PolarHBondContact O-N 3.45Å; Q180-E183 PolarHBondContact O-N 3.43Å; E183-V185 HydrophobicContact CB-CG2 4.25Å; E183-V185 PolarHBondContact O-N 2.04Å; E183-R229 IonicContact OE1-NH2 3.69Å; E183-R229 PolarHBondContact OE1-NH2 2.95Å
184	N	98.2	Very high	98.1	Very high	57 Å²	57	25.6 Å²	25.6	31%	0.305	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	31.5	179.9	-167.4	26.3	0	0	0	113.1	Q180 L181 Y182 S186 G187 A188 W189	Q180-N184 PolarHBondContact O-N 3.44Å; L181-N184 PolarHBondContact O-N 3.17Å; Y182-N184 PolarHBondContact O-N 3Å; N184-S186 PolarHBondContact O-N 3.47Å; N184-G187 PolarHBondContact O-N 2.6Å; N184-G187 VanDerWaalsContact O-N 3.1Å; N184-G187 VanDerWaalsContact OD1-CA 3.3Å; N184-G187 WeakPolarHBondContact OD1-CA 3.38Å; N184-A188 PolarHBondContact OD1-N 3.25Å; N184-A188 VanDerWaalsContact OD1-N 3.15Å; N184-W189 HydrophobicContact CB-CB 4.31Å; N184-W189 HydrophobicContact CB-CD2 3.84Å; N184-W189 HydrophobicContact CB-CG 3.65Å; N184-W189 VanDerWaalsContact OD1-CB 3.23Å; N184-W189 WeakPolarHBondContact OD1-CB 3.22Å; N184-W189 PolarHBondContact OD1-N 2.94Å
185	V	98.2	Very high	98.2	Very high	41 Å²	41	25.6 Å²	25.6	25%	0.248	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60	136.8	177.7	175.2	0	0	0	0	109.3	F145 Q180 E183 G187 A188	F145-V185 HydrophobicContact CD1-CB 4.34Å; F145-V185 HydrophobicContact CD1-CG1 4.15Å; F145-V185 HydrophobicContact CE1-CB 4.41Å; Q180-V185 HydrophobicContact CB-CB 3.91Å; Q180-V185 HydrophobicContact CB-CG1 4.46Å; Q180-V185 HydrophobicContact CB-CG2 3.82Å; Q180-V185 HydrophobicContact CG-CB 4.36Å; Q180-V185 HydrophobicContact CG-CG2 3.91Å; Q180-V185 WeakPolarHBondContact O-CB 3.15Å; Q180-V185 PolarHBondContact O-N 3.02Å; E183-V185 HydrophobicContact CB-CG2 4.25Å; E183-V185 PolarHBondContact O-N 2.04Å; V185-G187 PolarHBondContact O-N 3.07Å; V185-A188 WeakPolarHBondContact O-CB 3.4Å; V185-A188 PolarHBondContact O-N 3.12Å
186	S	96.7	Very high	98.2	Very high	61 Å²	61	25.5 Å²	25.5	43%	0.427	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	55.8	23.8	-177.7	-55.7	0	0	0	0	114	Q144 N184	Q144-S186 PolarHBondContact O-OG 2.87Å; N184-S186 PolarHBondContact O-N 3.47Å
187	G	97.3	Very high	98.3	Very high	19 Å²	19	24.5 Å²	24.5	20%	0.196	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	75.5	25.3	-179.4	0	0	0	0	0	113.9	N184 V185 W189 N190 H191	N184-G187 PolarHBondContact O-N 2.6Å; N184-G187 VanDerWaalsContact O-N 3.1Å; N184-G187 VanDerWaalsContact OD1-CA 3.3Å; N184-G187 WeakPolarHBondContact OD1-CA 3.38Å; V185-G187 PolarHBondContact O-N 3.07Å; G187-W189 PolarHBondContact O-N 3.12Å; G187-W189 VanDerWaalsContact O-N 3.12Å; G187-N190 WeakPolarHBondContact O-CA 3.37Å; G187-N190 VanDerWaalsContact O-CB 3.31Å; G187-N190 WeakPolarHBondContact O-CB 3.41Å; G187-N190 PolarHBondContact O-N 2.93Å; G187-H191 PolarHBondContact O-CD2 3.1Å; G187-H191 PolarHBondContact O-N 2.9Å
188	A	98.4	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-51	-36.2	-177.7	0	0	0	0	0	114.2	L141 F145 L181 N184 V185 N190 H191 W192	L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.36Å; F145-A188 HydrophobicContact CE1-CB 4.1Å; F145-A188 HydrophobicContact CZ-CB 4.05Å; L181-A188 HydrophobicContact CD1-CB 3.86Å; N184-A188 PolarHBondContact OD1-N 3.25Å; N184-A188 VanDerWaalsContact OD1-N 3.15Å; V185-A188 WeakPolarHBondContact O-CB 3.4Å; V185-A188 PolarHBondContact O-N 3.12Å; A188-N190 VanDerWaalsContact C-N 3.35Å; A188-N190 PolarHBondContact O-N 3.11Å; A188-H191 PolarHBondContact O-N 2.82Å; A188-W192 WeakPolarHBondContact O-CB 3.23Å; A188-W192 PolarHBondContact O-N 3.31Å
189	W	98.5	Very high	98.3	Very high	50 Å²	50	25.7 Å²	25.7	19%	0.189	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-37.6	175.7	-65.9	13	0	0	0	111.9	L181 Y182 N184 G187 H191 W192 G193 P242 V243 Y246	L181-W189 VanDerWaalsContact O-CD1 3.31Å; L181-W189 PolarHBondContact O-NE1 3.33Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.49Å; Y182-W189 PolarHBondContact O-NE1 3.35Å; N184-W189 HydrophobicContact CB-CB 4.31Å; N184-W189 HydrophobicContact CB-CD2 3.84Å; N184-W189 HydrophobicContact CB-CG 3.65Å; N184-W189 VanDerWaalsContact OD1-CB 3.23Å; N184-W189 WeakPolarHBondContact OD1-CB 3.22Å; N184-W189 PolarHBondContact OD1-N 2.94Å; G187-W189 PolarHBondContact O-N 3.12Å; G187-W189 VanDerWaalsContact O-N 3.12Å; W189-H191 VanDerWaalsContact C-N 3.33Å; W189-W192 PolarHBondContact O-N 3.22Å; W189-G193 PolarHBondContact O-N 2.94Å; W189-P242 HydrophobicContact CH2-CB 3.93Å; W189-P242 HydrophobicContact CZ2-CB 4.48Å; W189-V243 HydrophobicContact CD2-CG2 4.49Å; W189-V243 HydrophobicContact CH2-CG2 4.41Å; W189-V243 HydrophobicContact CZ2-CB 4.32Å; W189-V243 HydrophobicContact CZ2-CG2 3.49Å; W189-V243 VanDerWaalsContact CZ2-CG2 3.49Å; W189-Y246 HydrophobicContact CB-CD1 3.86Å; W189-Y246 HydrophobicContact CB-CE1 3.87Å; W189-Y246 HydrophobicContact CE3-CD1 4.28Å; W189-Y246 HydrophobicContact CE3-CD2 4.1Å; W189-Y246 AromaticContact CE3-CG 3.81Å; W189-Y246 HydrophobicContact CE3-CG 3.81Å; W189-Y246 HydrophobicContact CZ3-CG 4.47Å; W189-Y246 VanDerWaalsContact O-CE1 3.23Å; W189-Y246 WeakPolarHBondContact O-CE1 3.36Å
190	N	98.4	Very high	98.3	Very high	69 Å²	69	25.6 Å²	25.6	37%	0.369	14%	0.138	S	C	.	.	H	α-helix	trans	-62.8	-44.5	175.6	-65.8	-29.1	0	0	0	110.6	G187 A188 G193 D194 Y246	G187-N190 WeakPolarHBondContact O-CA 3.37Å; G187-N190 VanDerWaalsContact O-CB 3.31Å; G187-N190 WeakPolarHBondContact O-CB 3.41Å; G187-N190 PolarHBondContact O-N 2.93Å; A188-N190 VanDerWaalsContact C-N 3.35Å; A188-N190 PolarHBondContact O-N 3.11Å; N190-G193 PolarHBondContact O-N 2.79Å; N190-D194 WeakPolarHBondContact O-CB 3.31Å; N190-D194 PolarHBondContact O-N 3.43Å; N190-Y246 PolarHBondContact OD1-OH 2.61Å
191	H	98.3	Very high	98.3	Very high	26 Å²	26	30.4 Å²	30.4	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-38.8	179	-66.9	-43.7	0	0	0	113	W86 W140 L141 G187 A188 W189 D194 F195	W86-H191 HydrophobicContact CZ2-CB 3.88Å; W86-H191 WeakPolarHBondContact CZ2-O 3.47Å; W140-H191 HydrophobicContact CH2-CB 3.87Å; W140-H191 AromaticContact CH2-CG 3.75Å; W140-H191 AromaticContact CH2-ND1 3.94Å; W140-H191 HydrophobicContact CZ3-CB 4.37Å; W140-H191 AromaticContact CZ3-CD2 3.93Å; W140-H191 AromaticContact CZ3-CG 3.86Å; L141-H191 HydrophobicContact CD2-CB 4.44Å; G187-H191 PolarHBondContact O-CD2 3.1Å; G187-H191 PolarHBondContact O-N 2.9Å; A188-H191 PolarHBondContact O-N 2.82Å; W189-H191 VanDerWaalsContact C-N 3.33Å; H191-D194 PolarHBondContact O-N 3Å; H191-F195 PolarHBondContact O-N 2.95Å; H191-F195 VanDerWaalsContact O-N 3.13Å
192	W	98.5	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.4	-39.9	175.5	-163.2	-2.5	0	0	0	111.5	W86 M122 L181 A188 W189 F195 W196 L214 I215 V243 Y244 L247	W86-W192 HydrophobicContact CH2-CB 3.41Å; W86-W192 VanDerWaalsContact CH2-CB 3.41Å; W86-W192 AromaticContact CH2-CG 3.78Å; W86-W192 HydrophobicContact CH2-CG 3.78Å; W86-W192 VanDerWaalsContact CZ2-CA 3.48Å; W86-W192 HydrophobicContact CZ2-CB 4.07Å; W86-W192 HydrophobicContact CZ3-CB 3.88Å; W86-W192 AromaticContact CZ3-CD1 3.79Å; W86-W192 HydrophobicContact CZ3-CD2 4.16Å; W86-W192 AromaticContact CZ3-CG 3.69Å; W86-W192 HydrophobicContact CZ3-CG 3.69Å; M122-W192 PolarHBondContact SD-NE1 2.75Å; M122-W192 VanDerWaalsContact SD-NE1 3.4Å; L181-W192 HydrophobicContact CD1-CE3 4.04Å; L181-W192 HydrophobicContact CD1-CZ3 4.4Å; L181-W192 HydrophobicContact CD2-CZ3 4.23Å; L181-W192 HydrophobicContact CG-CE3 4.34Å; L181-W192 HydrophobicContact CG-CZ3 4.19Å; A188-W192 WeakPolarHBondContact O-CB 3.23Å; A188-W192 PolarHBondContact O-N 3.31Å; W189-W192 PolarHBondContact O-N 3.22Å; W192-F195 WeakPolarHBondContact O-CB 3.34Å; W192-F195 PolarHBondContact O-N 2.65Å; W192-W196 AromaticContact CD1-CD1 3.54Å; W192-W196 AromaticContact CD1-NE1 3.73Å; W192-W196 AromaticContact NE1-CD1 3.58Å; W192-W196 AromaticContact NE1-NE1 3.28Å; W192-W196 PolarHBondContact O-N 3.49Å; W192-W196 VanDerWaalsContact O-N 3.14Å; W192-L214 WeakPolarHBondContact CZ2-O 3.31Å; W192-L214 PolarHBondContact NE1-O 3.21Å; W192-I215 HydrophobicContact CH2-CB 4.14Å; W192-I215 HydrophobicContact CH2-CD1 3.92Å; W192-I215 HydrophobicContact CH2-CG2 3.81Å; W192-I215 HydrophobicContact CZ2-CB 3.62Å; W192-I215 HydrophobicContact CZ2-CD1 4.01Å; W192-I215 HydrophobicContact CZ2-CG1 4.42Å; W192-I215 HydrophobicContact CZ2-CG2 3.65Å; W192-V243 HydrophobicContact CD2-CG1 4.5Å; W192-V243 HydrophobicContact CE3-CG1 3.61Å; W192-V243 HydrophobicContact CH2-CG1 4.1Å; W192-V243 HydrophobicContact CZ3-CB 4.47Å; W192-V243 HydrophobicContact CZ3-CG1 3.41Å; W192-V243 VanDerWaalsContact CZ3-CG1 3.41Å; W192-Y244 HydrophobicContact CH2-CE1 4.17Å; W192-Y244 HydrophobicContact CZ2-CE1 4.41Å; W192-L247 HydrophobicContact CB-CD2 3.83Å; W192-L247 HydrophobicContact CD2-CD1 3.66Å; W192-L247 HydrophobicContact CD2-CD2 4Å; W192-L247 HydrophobicContact CD2-CG 4.4Å; W192-L247 HydrophobicContact CE3-CD1 4.22Å; W192-L247 HydrophobicContact CG-CD1 4.06Å; W192-L247 HydrophobicContact CG-CD2 3.63Å; W192-L247 HydrophobicContact CG-CG 4.48Å; W192-L247 HydrophobicContact CH2-CD1 4.13Å; W192-L247 HydrophobicContact CZ2-CD1 3.54Å; W192-L247 HydrophobicContact CZ3-CD1 4.46Å
193	G	98.6	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-43.7	171.4	0	0	0	0	0	112.3	W189 N190 F195 W196 E197	W189-G193 PolarHBondContact O-N 2.94Å; N190-G193 PolarHBondContact O-N 2.79Å; G193-F195 VanDerWaalsContact C-N 3.32Å; G193-F195 PolarHBondContact O-N 3.03Å; G193-W196 PolarHBondContact O-N 3.04Å; G193-E197 WeakPolarHBondContact O-CB 3.29Å; G193-E197 WeakPolarHBondContact O-CG 3.24Å; G193-E197 PolarHBondContact O-N 2.62Å
194	D	98.5	Very high	98.2	Very high	45 Å²	45	28.2 Å²	28.2	24%	0.241	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-42.3	176.8	-70.7	-14.1	0	0	0	111.4	N190 H191 E197 I198 R250	N190-D194 WeakPolarHBondContact O-CB 3.31Å; N190-D194 PolarHBondContact O-N 3.43Å; H191-D194 PolarHBondContact O-N 3Å; D194-E197 PolarHBondContact O-N 3.11Å; D194-I198 VanDerWaalsContact O-CD1 3.29Å; D194-I198 WeakPolarHBondContact O-CD1 3.46Å; D194-I198 WeakPolarHBondContact O-CG1 3.38Å; D194-I198 PolarHBondContact O-N 3.37Å; D194-R250 IonicContact OD1-NH2 3.73Å; D194-R250 PolarHBondContact OD1-NH2 3.04Å
195	F	98.7	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-55.6	173.8	165.2	-96.7	0	0	0	110.8	I84 W86 V89 M122 H191 W192 G193 E197 I198 I199	I84-F195 HydrophobicContact CG1-CZ 4.5Å; I84-F195 HydrophobicContact CG2-CZ 4.18Å; W86-F195 HydrophobicContact CB-CD2 4.01Å; W86-F195 HydrophobicContact CB-CE2 4.06Å; W86-F195 HydrophobicContact CB-CG 4.48Å; W86-F195 AromaticContact CD1-CD2 3.65Å; W86-F195 AromaticContact CD1-CG 3.93Å; W86-F195 HydrophobicContact CD2-CB 4.31Å; W86-F195 HydrophobicContact CD2-CG 4.38Å; W86-F195 HydrophobicContact CG-CB 4.25Å; W86-F195 AromaticContact CG-CD2 3.84Å; W86-F195 HydrophobicContact CG-CD2 3.84Å; W86-F195 HydrophobicContact CG-CE2 4.39Å; W86-F195 HydrophobicContact CG-CG 4.03Å; V89-F195 HydrophobicContact CB-CD2 3.8Å; V89-F195 HydrophobicContact CB-CE2 3.83Å; V89-F195 HydrophobicContact CG1-CD2 4.01Å; V89-F195 HydrophobicContact CG1-CE2 4.35Å; V89-F195 HydrophobicContact CG2-CD2 4.01Å; V89-F195 HydrophobicContact CG2-CE2 3.52Å; M122-F195 HydrophobicContact CB-CE1 3.81Å; M122-F195 HydrophobicContact CB-CZ 4.09Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.57Å; M122-F195 HydrophobicContact CG-CZ 3.75Å; M122-F195 HydrophobicContact SD-CE1 4.33Å; H191-F195 PolarHBondContact O-N 2.95Å; H191-F195 VanDerWaalsContact O-N 3.13Å; W192-F195 WeakPolarHBondContact O-CB 3.34Å; W192-F195 PolarHBondContact O-N 2.65Å; G193-F195 VanDerWaalsContact C-N 3.32Å; G193-F195 PolarHBondContact O-N 3.03Å; F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 PolarHBondContact O-N 2.69Å; F195-I198 WeakPolarHBondContact O-CB 3.47Å; F195-I198 PolarHBondContact O-N 2.76Å; F195-I198 VanDerWaalsContact O-N 3.15Å; F195-I199 HydrophobicContact CE1-CG1 4.25Å; F195-I199 HydrophobicContact CE2-CD1 4.38Å; F195-I199 HydrophobicContact CE2-CG1 4.2Å; F195-I199 HydrophobicContact CZ-CG1 4.02Å; F195-I199 WeakPolarHBondContact O-CG1 3.28Å; F195-I199 PolarHBondContact O-N 3.11Å; F195-I199 VanDerWaalsContact O-N 3.12Å
196	W	98.8	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-30.2	-177.8	-83.9	120.9	0	0	0	113.8	M122 W192 G193 I199 A200 Y212 D213 L214 I251	M122-W196 HydrophobicContact CB-CH2 4.21Å; M122-W196 HydrophobicContact CB-CZ2 3.59Å; W192-W196 AromaticContact CD1-CD1 3.54Å; W192-W196 AromaticContact CD1-NE1 3.73Å; W192-W196 AromaticContact NE1-CD1 3.58Å; W192-W196 AromaticContact NE1-NE1 3.28Å; W192-W196 PolarHBondContact O-N 3.49Å; W192-W196 VanDerWaalsContact O-N 3.14Å; G193-W196 PolarHBondContact O-N 3.04Å; W196-I199 HydrophobicContact CE3-CB 4.07Å; W196-I199 HydrophobicContact CE3-CG1 4.32Å; W196-I199 HydrophobicContact CE3-CG2 4.1Å; W196-I199 HydrophobicContact CZ3-CB 4.36Å; W196-I199 HydrophobicContact CZ3-CG1 4.49Å; W196-I199 HydrophobicContact CZ3-CG2 3.95Å; W196-I199 PolarHBondContact O-N 3.08Å; W196-A200 VanDerWaalsContact O-CB 3.27Å; W196-A200 WeakPolarHBondContact O-CB 3.23Å; W196-A200 PolarHBondContact O-N 3.04Å; W196-Y212 HydrophobicContact CE3-CD1 4.42Å; W196-Y212 HydrophobicContact CE3-CG 4.06Å; W196-Y212 AromaticContact CZ3-CD1 3.81Å; W196-Y212 HydrophobicContact CZ3-CD1 3.81Å; W196-Y212 AromaticContact CZ3-CG 3.68Å; W196-Y212 HydrophobicContact CZ3-CG 3.68Å; W196-D213 WeakPolarHBondContact CH2-O 3.42Å; W196-D213 WeakPolarHBondContact CZ2-O 3.5Å; W196-L214 HydrophobicContact CD2-CD2 4.44Å; W196-L214 VanDerWaalsContact CZ2-CA 3.45Å; W196-L214 HydrophobicContact CZ2-CD2 4.46Å; W196-L214 PolarHBondContact NE1-O 3.42Å; W196-L214 VanDerWaalsContact NE1-O 3.13Å; W196-I251 HydrophobicContact CB-CD1 3.93Å; W196-I251 HydrophobicContact CB-CG1 3.63Å; W196-I251 HydrophobicContact CD2-CD1 4.1Å; W196-I251 HydrophobicContact CE3-CD1 4.32Å; W196-I251 HydrophobicContact CG-CD1 3.94Å; W196-I251 HydrophobicContact CG-CG1 4.21Å
197	E	98.6	Very high	98	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-40.2	171.6	-78	-171.4	165.9	0	0	112.7	G193 D194 F195 I199 A200 K201 R250 Y254	G193-E197 WeakPolarHBondContact O-CB 3.29Å; G193-E197 WeakPolarHBondContact O-CG 3.24Å; G193-E197 PolarHBondContact O-N 2.62Å; D194-E197 PolarHBondContact O-N 3.11Å; F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 PolarHBondContact O-N 2.69Å; E197-I199 VanDerWaalsContact C-N 3.33Å; E197-A200 PolarHBondContact O-N 2.8Å; E197-K201 VanDerWaalsContact O-CB 3.28Å; E197-K201 WeakPolarHBondContact O-CB 3.36Å; E197-K201 WeakPolarHBondContact O-CD 3.34Å; E197-K201 WeakPolarHBondContact O-CG 3.38Å; E197-K201 PolarHBondContact O-N 2.9Å; E197-R250 VanDerWaalsContact CD-NE 3.33Å; E197-R250 HydrophobicContact CG-CB 3.99Å; E197-R250 IonicContact OE1-CZ 3.32Å; E197-R250 IonicContact OE1-NE 3.99Å; E197-R250 PolarHBondContact OE1-NE 2.63Å; E197-R250 IonicContact OE1-NH2 3.64Å; E197-R250 PolarHBondContact OE1-NH2 3.47Å; E197-R250 IonicContact OE2-CZ 3.52Å; E197-R250 IonicContact OE2-NE 3.41Å; E197-R250 IonicContact OE2-NH2 3.86Å; E197-R250 PolarHBondContact OE2-NH2 2.64Å; E197-Y254 HydrophobicContact CB-CD2 4.22Å; E197-Y254 HydrophobicContact CB-CE2 4.11Å; E197-Y254 VanDerWaalsContact CD-CE2 3.48Å; E197-Y254 HydrophobicContact CG-CD2 3.95Å; E197-Y254 HydrophobicContact CG-CE2 3.7Å
198	I	98.7	Very high	98.1	Very high	26 Å²	26	32.9 Å²	32.9	13%	0.133	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-47.1	175.7	-69.9	159	0	0	0	109.3	V89 K90 V96 L101 D194 F195 K201 H202	V89-I198 HydrophobicContact CG1-CB 4.32Å; V89-I198 HydrophobicContact CG1-CD1 4.32Å; V89-I198 HydrophobicContact CG1-CG2 3.79Å; K90-I198 HydrophobicContact CD-CD1 3.91Å; K90-I198 HydrophobicContact CG-CD1 4.05Å; V96-I198 HydrophobicContact CB-CD1 4.46Å; V96-I198 HydrophobicContact CG1-CD1 4.1Å; V96-I198 HydrophobicContact CG1-CG2 3.93Å; V96-I198 HydrophobicContact CG2-CD1 3.54Å; V96-I198 HydrophobicContact CG2-CG1 4.34Å; L101-I198 HydrophobicContact CD1-CG2 3.55Å; L101-I198 HydrophobicContact CD2-CG2 4.16Å; D194-I198 VanDerWaalsContact O-CD1 3.29Å; D194-I198 WeakPolarHBondContact O-CD1 3.46Å; D194-I198 WeakPolarHBondContact O-CG1 3.38Å; D194-I198 PolarHBondContact O-N 3.37Å; F195-I198 WeakPolarHBondContact O-CB 3.47Å; F195-I198 PolarHBondContact O-N 2.76Å; F195-I198 VanDerWaalsContact O-N 3.15Å; I198-K201 PolarHBondContact O-N 2.91Å; I198-H202 WeakPolarHBondContact O-CB 3.38Å; I198-H202 PolarHBondContact O-N 2.85Å; I198-H202 VanDerWaalsContact O-N 3.07Å
199	I	98.8	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-49.5	176.7	-60.3	-41.6	0	0	0	111.5	I84 V89 L101 L120 F195 W196 E197 K201 H202 Y203 Y212	I84-I199 HydrophobicContact CD1-CD1 3.32Å; I84-I199 HydrophobicContact CD1-CG1 4.16Å; I84-I199 HydrophobicContact CG1-CD1 4Å; V89-I199 HydrophobicContact CG1-CD1 4.37Å; V89-I199 HydrophobicContact CG2-CD1 3.84Å; L101-I199 HydrophobicContact CD2-CD1 3.97Å; L120-I199 HydrophobicContact CD1-CG2 3.79Å; F195-I199 HydrophobicContact CE1-CG1 4.25Å; F195-I199 HydrophobicContact CE2-CD1 4.38Å; F195-I199 HydrophobicContact CE2-CG1 4.2Å; F195-I199 HydrophobicContact CZ-CG1 4.02Å; F195-I199 WeakPolarHBondContact O-CG1 3.28Å; F195-I199 PolarHBondContact O-N 3.11Å; F195-I199 VanDerWaalsContact O-N 3.12Å; W196-I199 HydrophobicContact CE3-CB 4.07Å; W196-I199 HydrophobicContact CE3-CG1 4.32Å; W196-I199 HydrophobicContact CE3-CG2 4.1Å; W196-I199 HydrophobicContact CZ3-CB 4.36Å; W196-I199 HydrophobicContact CZ3-CG1 4.49Å; W196-I199 HydrophobicContact CZ3-CG2 3.95Å; W196-I199 PolarHBondContact O-N 3.08Å; E197-I199 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 3.49Å; I199-H202 PolarHBondContact O-N 3.01Å; I199-Y203 HydrophobicContact CD1-CE2 4.11Å; I199-Y203 HydrophobicContact CG2-CD2 3.84Å; I199-Y203 HydrophobicContact CG2-CE2 4.43Å; I199-Y203 PolarHBondContact O-N 3.1Å; I199-Y212 HydrophobicContact CG2-CD1 4.06Å; I199-Y212 HydrophobicContact CG2-CE1 3.8Å
200	A	98.7	Very high	98.1	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-41	-179.1	0	0	0	0	0	112.6	W196 E197 G204 Y212 I251 D255	W196-A200 VanDerWaalsContact O-CB 3.27Å; W196-A200 WeakPolarHBondContact O-CB 3.23Å; W196-A200 PolarHBondContact O-N 3.04Å; E197-A200 PolarHBondContact O-N 2.8Å; A200-G204 WeakPolarHBondContact O-CA 3.43Å; A200-G204 PolarHBondContact O-N 2.82Å; A200-Y212 HydrophobicContact CB-CE2 4.25Å; A200-I251 HydrophobicContact CB-CG2 4.11Å; A200-D255 HydrophobicContact CB-CB 4.15Å
201	K	98.2	Very high	98.1	Very high	112 Å²	112	27.3 Å²	27.3	49%	0.487	13%	0.131	S	C	.	.	H	α-helix	trans	-61.9	-42.6	175.3	-78.5	168.3	179.9	165	0	112.3	E197 I198 I199 Y254	E197-K201 VanDerWaalsContact O-CB 3.28Å; E197-K201 WeakPolarHBondContact O-CB 3.36Å; E197-K201 WeakPolarHBondContact O-CD 3.34Å; E197-K201 WeakPolarHBondContact O-CG 3.38Å; E197-K201 PolarHBondContact O-N 2.9Å; I198-K201 PolarHBondContact O-N 2.91Å; I199-K201 PolarHBondContact O-N 3.49Å; K201-Y254 HydrophobicContact CD-CD1 4.1Å; K201-Y254 HydrophobicContact CD-CE1 4.11Å; K201-Y254 HydrophobicContact CD-CG 4.31Å; K201-Y254 VanDerWaalsContact CE-CE2 3.43Å; K201-Y254 VanDerWaalsContact CE-OH 3.31Å; K201-Y254 WeakPolarHBondContact CE-OH 3.5Å; K201-Y254 HydrophobicContact CG-CD1 3.46Å; K201-Y254 VanDerWaalsContact CG-CD1 3.46Å; K201-Y254 HydrophobicContact CG-CD2 4.07Å; K201-Y254 HydrophobicContact CG-CE1 3.99Å; K201-Y254 HydrophobicContact CG-CG 3.49Å; K201-Y254 VanDerWaalsContact CG-CG 3.49Å; K201-Y254 PolarHBondContact NZ-OH 3.25Å; K201-Y254 VanDerWaalsContact NZ-OH 3.13Å
202	H	97.9	Very high	98.1	Very high	57 Å²	57	26.1 Å²	26.1	26%	0.264	13%	0.125	S	C	.	.	H	α-helix	trans	-82.9	-40.5	-170.9	-161.6	50.8	0	0	0	111.8	L101 E105 I198 I199	L101-H202 PolarHBondContact O-NE2 3.23Å; E105-H202 IonicContact OE2-CE1 3.54Å; E105-H202 PolarHBondContact OE2-CE1 2.83Å; E105-H202 IonicContact OE2-NE2 3.69Å; I198-H202 WeakPolarHBondContact O-CB 3.38Å; I198-H202 PolarHBondContact O-N 2.85Å; I198-H202 VanDerWaalsContact O-N 3.07Å; I199-H202 PolarHBondContact O-N 3.01Å
203	Y	98.1	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-112.6	-10.1	-172.3	-53	-46.7	0	0	0	115.4	I84 L101 M104 E105 I108 L120 I199 K205 K206	I84-Y203 HydrophobicContact CD1-CD2 4.49Å; I84-Y203 HydrophobicContact CD1-CE2 3.69Å; L101-Y203 WeakPolarHBondContact CA-OH 3.5Å; L101-Y203 HydrophobicContact CD2-CE2 4.42Å; L101-Y203 PolarHBondContact O-OH 3.27Å; M104-Y203 WeakPolarHBondContact CB-OH 3.14Å; E105-Y203 HydrophobicContact CB-CE1 3.78Å; E105-Y203 HydrophobicContact CG-CD1 4.3Å; E105-Y203 HydrophobicContact CG-CE1 3.95Å; I108-Y203 HydrophobicContact CD1-CD1 3.89Å; I108-Y203 HydrophobicContact CD1-CD2 4.14Å; I108-Y203 HydrophobicContact CD1-CE1 3.9Å; I108-Y203 HydrophobicContact CD1-CE2 4.15Å; I108-Y203 HydrophobicContact CD1-CG 4.02Å; L120-Y203 HydrophobicContact CD1-CD2 3.48Å; L120-Y203 VanDerWaalsContact CD1-CD2 3.48Å; L120-Y203 HydrophobicContact CD1-CE2 4.15Å; L120-Y203 HydrophobicContact CD1-CG 4.21Å; I199-Y203 HydrophobicContact CD1-CE2 4.11Å; I199-Y203 HydrophobicContact CG2-CD2 3.84Å; I199-Y203 HydrophobicContact CG2-CE2 4.43Å; I199-Y203 PolarHBondContact O-N 3.1Å; Y203-K205 PolarHBondContact O-N 3.12Å; Y203-K206 WeakPolarHBondContact O-CB 3.44Å; Y203-K206 PolarHBondContact O-N 3.47Å
204	G	96.7	Very high	98.1	Very high	10 Å²	10	26.1 Å²	26.1	10%	0.103	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.3	-171.5	0	0	0	0	0	115.7	A200 Y212 D255	A200-G204 WeakPolarHBondContact O-CA 3.43Å; A200-G204 PolarHBondContact O-N 2.82Å; G204-Y212 VanDerWaalsContact CA-OH 3.29Å; G204-Y212 WeakPolarHBondContact CA-OH 3.38Å; G204-Y212 PolarHBondContact N-OH 2.99Å; G204-D255 WeakPolarHBondContact CA-OD2 3.36Å
205	K	96	Very high	98.1	Very high	209 Å²	209	24 Å²	24	91%	0.909	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.9	174.8	-66.1	-176	-177.7	177.2	0	114	Y203 S207	Y203-K205 PolarHBondContact O-N 3.12Å; K205-S207 PolarHBondContact O-N 3.05Å
206	K	96.9	Very high	98.1	Very high	31 Å²	31	24 Å²	24	14%	0.135	11%	0.114	C	C	.	.			trans	-73.8	126.8	178.3	-63.8	-167.8	-172.7	-72.5	0	109.2	K27 E105 I108 D109 Y203 V209	K27-K206 PolarHBondContact NZ-O 2.87Å; E105-K206 VanDerWaalsContact CG-NZ 3.35Å; E105-K206 VanDerWaalsContact OE1-CE 3.23Å; E105-K206 WeakPolarHBondContact OE1-CE 3.4Å; E105-K206 IonicContact OE1-NZ 3.26Å; E105-K206 PolarHBondContact OE1-NZ 3.12Å; I108-K206 HydrophobicContact CB-CD 4.42Å; I108-K206 HydrophobicContact CG2-CD 3.65Å; D109-K206 WeakPolarHBondContact OD1-CD 3.39Å; D109-K206 WeakPolarHBondContact OD1-CE 3.4Å; D109-K206 IonicContact OD1-NZ 3.26Å; D109-K206 PolarHBondContact OD1-NZ 3.07Å; D109-K206 IonicContact OD2-NZ 2.94Å; D109-K206 PolarHBondContact OD2-NZ 3.34Å; Y203-K206 WeakPolarHBondContact O-CB 3.44Å; Y203-K206 PolarHBondContact O-N 3.47Å; K206-V209 HydrophobicContact CB-CB 4.48Å; K206-V209 HydrophobicContact CB-CG2 3.78Å; K206-V209 PolarHBondContact O-N 2.82Å
207	S	96.4	Very high	98.1	Very high	33 Å²	33	25 Å²	25	23%	0.231	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-28.2	-173.7	57.5	0	0	0	0	113.1	L25 K205 V209	L25-S207 WeakPolarHBondContact O-CB 3.37Å; L25-S207 PolarHBondContact O-OG 3.3Å; K205-S207 PolarHBondContact O-N 3.05Å; S207-V209 VanDerWaalsContact C-N 3.31Å
208	N	97.5	Very high	98	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.1	176.3	75.4	-52.9	0	0	0	113.7	L25 I108 A112 Y117 V118 L210	L25-N208 HydrophobicContact CB-CB 4.24Å; L25-N208 HydrophobicContact CD1-CB 3.56Å; L25-N208 HydrophobicContact CG-CB 4.49Å; I108-N208 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N208 PolarHBondContact O-ND2 3.09Å; A112-N208 HydrophobicContact CB-CB 3.92Å; A112-N208 VanDerWaalsContact CB-CG 3.49Å; A112-N208 WeakPolarHBondContact CB-ND2 3.41Å; Y117-N208 CarbonylContact C-O 3.45Å; Y117-N208 VanDerWaalsContact CA-O 3.26Å; Y117-N208 WeakPolarHBondContact CA-O 3.16Å; Y117-N208 WeakPolarHBondContact CD1-O 3.31Å; V118-N208 PolarHBondContact N-O 3.11Å; N208-L210 PolarHBondContact O-N 3.45Å
209	V	98.5	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	100.4	166.9	177.5	0	0	0	0	107.5	K27 I108 V118 L120 K206 S207 Y212	K27-V209 PolarHBondContact NZ-O 2.93Å; I108-V209 HydrophobicContact CG2-CG2 3.82Å; V118-V209 HydrophobicContact CG2-CB 4.25Å; V118-V209 HydrophobicContact CG2-CG2 3.76Å; L120-V209 HydrophobicContact CD1-CG1 4.15Å; L120-V209 HydrophobicContact CG-CG1 4.31Å; K206-V209 HydrophobicContact CB-CB 4.48Å; K206-V209 HydrophobicContact CB-CG2 3.78Å; K206-V209 PolarHBondContact O-N 2.82Å; S207-V209 VanDerWaalsContact C-N 3.31Å; V209-Y212 HydrophobicContact CG1-CD1 4.41Å; V209-Y212 HydrophobicContact CG1-CE1 3.76Å
210	L	98.6	Very high	97.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-44.1	-179	-177.5	57.4	0	0	0	110.1	I28 F36 F46 V79 Y117 V118 I119 N208 L259 F261 F351	I28-L210 HydrophobicContact CB-CD1 3.64Å; I28-L210 HydrophobicContact CG1-CD1 3.95Å; I28-L210 HydrophobicContact CG2-CD1 3.79Å; F36-L210 HydrophobicContact CD1-CD1 4.45Å; F46-L210 HydrophobicContact CD2-CD2 4.2Å; F46-L210 HydrophobicContact CE2-CD1 4.16Å; F46-L210 HydrophobicContact CE2-CD2 4.13Å; F46-L210 HydrophobicContact CG-CD2 4.42Å; F46-L210 HydrophobicContact CZ-CD1 4.02Å; F46-L210 HydrophobicContact CZ-CD2 4.31Å; V79-L210 HydrophobicContact CG2-CD2 4.13Å; Y117-L210 HydrophobicContact CD1-CB 4.32Å; V118-L210 WeakPolarHBondContact O-CB 3.45Å; V118-L210 PolarHBondContact O-N 2.96Å; I119-L210 HydrophobicContact CD1-CD2 4.26Å; I119-L210 HydrophobicContact CG1-CB 4.3Å; I119-L210 HydrophobicContact CG1-CD2 3.92Å; I119-L210 HydrophobicContact CG1-CG 4.42Å; N208-L210 PolarHBondContact O-N 3.45Å; L210-L259 HydrophobicContact CD1-CD1 3.72Å; L210-L259 HydrophobicContact CG-CD1 4.16Å; L210-L259 VanDerWaalsContact O-CB 3.26Å; L210-L259 WeakPolarHBondContact O-CB 3.39Å; L210-L259 VanDerWaalsContact O-CG 3.28Å; L210-L259 WeakPolarHBondContact O-CG 3.22Å; L210-L259 PolarHBondContact O-N 3.49Å; L210-L259 VanDerWaalsContact O-N 3.11Å; L210-F261 HydrophobicContact CD2-CZ 4.04Å; L210-F261 HydrophobicContact CG-CE2 4.18Å; L210-F261 HydrophobicContact CG-CZ 4.11Å; L210-F351 HydrophobicContact CD2-CE2 4.32Å
211	G	98.7	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-172	178.3	0	0	0	0	0	115.2	L120 L259	L120-G211 PolarHBondContact N-O 3.32Å; G211-L259 CarbonylContact C-O 2.93Å; G211-L259 WeakPolarHBondContact CA-O 3.28Å
212	Y	98.9	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.4	-175.1	-58.3	-36.2	0	0	0	109.7	L120 W196 I199 A200 G204 V209 I251 D255 L259 I260 F261	L120-Y212 HydrophobicContact CB-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CD1 4.28Å; L120-Y212 HydrophobicContact CD1-CE1 4.05Å; W196-Y212 HydrophobicContact CE3-CD1 4.42Å; W196-Y212 HydrophobicContact CE3-CG 4.06Å; W196-Y212 AromaticContact CZ3-CD1 3.81Å; W196-Y212 HydrophobicContact CZ3-CD1 3.81Å; W196-Y212 AromaticContact CZ3-CG 3.68Å; W196-Y212 HydrophobicContact CZ3-CG 3.68Å; I199-Y212 HydrophobicContact CG2-CD1 4.06Å; I199-Y212 HydrophobicContact CG2-CE1 3.8Å; A200-Y212 HydrophobicContact CB-CE2 4.25Å; G204-Y212 VanDerWaalsContact CA-OH 3.29Å; G204-Y212 WeakPolarHBondContact CA-OH 3.38Å; G204-Y212 PolarHBondContact N-OH 2.99Å; V209-Y212 HydrophobicContact CG1-CD1 4.41Å; V209-Y212 HydrophobicContact CG1-CE1 3.76Å; Y212-I251 HydrophobicContact CD2-CD1 4.24Å; Y212-I251 HydrophobicContact CD2-CG2 3.8Å; Y212-I251 HydrophobicContact CE2-CG2 3.76Å; Y212-D255 HydrophobicContact CE2-CB 4.47Å; Y212-D255 PolarHBondContact OH-OD2 3.37Å; Y212-L259 PolarHBondContact N-O 2.91Å; Y212-I260 HydrophobicContact CD2-CD1 4.11Å; Y212-F261 PolarHBondContact O-N 3.2Å
213	D	98.9	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	105.8	173.3	-152.6	-10.6	0	0	0	109.7	R81 I119 L120 D121 M122 W196 I215 F261 S302	R81-D213 IonicContact CZ-OD2 2.71Å; R81-D213 IonicContact NE-OD2 3.79Å; R81-D213 PolarHBondContact NE-OD2 3.21Å; R81-D213 IonicContact NH2-OD2 3.17Å; R81-D213 PolarHBondContact NH2-OD2 2.95Å; I119-D213 HydrophobicContact CG2-CB 4.1Å; L120-D213 PolarHBondContact O-N 3.45Å; D121-D213 HydrophobicContact CB-CB 4.05Å; M122-D213 PolarHBondContact N-O 3Å; M122-D213 VanDerWaalsContact N-O 3.14Å; W196-D213 WeakPolarHBondContact CH2-O 3.42Å; W196-D213 WeakPolarHBondContact CZ2-O 3.5Å; D213-I215 PolarHBondContact O-N 3.35Å; D213-I215 VanDerWaalsContact O-N 3.15Å; D213-F261 HydrophobicContact CB-CB 3.87Å; D213-S302 PolarHBondContact OD1-OG 3.24Å; D213-S302 PolarHBondContact OD2-OG 2.79Å
214	L	98.9	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.			trans	-59.2	-33.6	-160.6	-70.7	-179.1	0	0	0	113.6	W192 W196 Y244 L247 V248 I251 I260 F261	W192-L214 WeakPolarHBondContact CZ2-O 3.31Å; W192-L214 PolarHBondContact NE1-O 3.21Å; W196-L214 HydrophobicContact CD2-CD2 4.44Å; W196-L214 VanDerWaalsContact CZ2-CA 3.45Å; W196-L214 HydrophobicContact CZ2-CD2 4.46Å; W196-L214 PolarHBondContact NE1-O 3.42Å; W196-L214 VanDerWaalsContact NE1-O 3.13Å; L214-Y244 HydrophobicContact CB-CD1 4.26Å; L214-Y244 HydrophobicContact CB-CE1 4.08Å; L214-Y244 HydrophobicContact CD1-CD1 3.66Å; L214-Y244 HydrophobicContact CD1-CD2 4.33Å; L214-Y244 HydrophobicContact CD1-CE1 4.24Å; L214-Y244 HydrophobicContact CD1-CG 3.7Å; L214-L247 HydrophobicContact CD2-CB 4.25Å; L214-L247 HydrophobicContact CD2-CD1 4.37Å; L214-V248 HydrophobicContact CD1-CG2 4.39Å; L214-I251 HydrophobicContact CD2-CD1 3.68Å; L214-I260 HydrophobicContact CD1-CG2 3.67Å; L214-I260 HydrophobicContact CD2-CG2 4.08Å; L214-I260 HydrophobicContact CG-CG2 3.78Å; L214-F261 WeakPolarHBondContact CG-O 3.38Å; L214-F261 PolarHBondContact N-O 3.05Å
215	I	98.7	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.			trans	-170.3	130.1	174.7	177.1	161.1	0	0	0	108.8	M122 Q124 W192 D213 P218 Y244	M122-I215 HydrophobicContact CE-CB 4.07Å; M122-I215 HydrophobicContact CE-CD1 3.89Å; M122-I215 HydrophobicContact CE-CG1 3.73Å; Q124-I215 HydrophobicContact CG-CD1 4.06Å; Q124-I215 HydrophobicContact CG-CG1 3.91Å; W192-I215 HydrophobicContact CH2-CB 4.14Å; W192-I215 HydrophobicContact CH2-CD1 3.92Å; W192-I215 HydrophobicContact CH2-CG2 3.81Å; W192-I215 HydrophobicContact CZ2-CB 3.62Å; W192-I215 HydrophobicContact CZ2-CD1 4.01Å; W192-I215 HydrophobicContact CZ2-CG1 4.42Å; W192-I215 HydrophobicContact CZ2-CG2 3.65Å; D213-I215 PolarHBondContact O-N 3.35Å; D213-I215 VanDerWaalsContact O-N 3.15Å; I215-P218 HydrophobicContact CG2-CB 4.02Å; I215-P218 HydrophobicContact CG2-CG 4.44Å; I215-Y244 HydrophobicContact CG2-CE1 3.68Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.33Å
216	N	98.5	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-64.5	134.8	169.4	-176.1	71.8	0	0	0	111.4	R81 M122 H123 Q124 H304 E354	R81-N216 PolarHBondContact NH2-OD1 2.94Å; M122-N216 PolarHBondContact O-N 3.19Å; M122-N216 VanDerWaalsContact O-N 3.12Å; H123-N216 HydrophobicContact CB-CB 4.47Å; H123-N216 PolarHBondContact CE1-ND2 2.93Å; H123-N216 PolarHBondContact CE1-OD1 3.17Å; H123-N216 VanDerWaalsContact CE1-OD1 3.32Å; H123-N216 VanDerWaalsContact ND1-CG 3.34Å; H123-N216 PolarHBondContact ND1-OD1 2.9Å; Q124-N216 PolarHBondContact NE2-O 3.5Å; Q124-N216 PolarHBondContact O-ND2 2.86Å; N216-H304 PolarHBondContact OD1-CE1 2.67Å; N216-E354 PolarHBondContact OD1-OE1 3.04Å
217	E	97.3	Very high	97.5	Very high	23 Å²	23	19.1 Å²	19.1	11%	0.107	11%	0.106	C	C	.	.	S	Bend	trans	42	61.4	168.3	-61.1	-154.5	148.8	0	0	114.9	Q124 Y169 P219 E263 T266 H304	Q124-E217 PolarHBondContact NE2-O 3.06Å; Y169-E217 PolarHBondContact OH-O 3.45Å; E217-P219 WeakPolarHBondContact O-CD 3.26Å; E217-E263 PolarHBondContact N-OE2 3.22Å; E217-T266 WeakPolarHBondContact CB-OG1 3.36Å; E217-T266 HydrophobicContact CG-CG2 4.37Å; E217-T266 WeakPolarHBondContact OE1-CG2 3.17Å; E217-H304 WeakPolarHBondContact CG-ND1 3.19Å; E217-H304 IonicContact OE1-CE1 3.68Å; E217-H304 IonicContact OE1-ND1 3.53Å; E217-H304 PolarHBondContact OE1-ND1 2.89Å
218	P	97.5	Very high	97.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.109	C	C	.	.			trans	-63.2	127.9	-174.7	26	-35.2	0	0	0	111.7	I215 L240 E263 P264 V265	I215-P218 HydrophobicContact CG2-CB 4.02Å; I215-P218 HydrophobicContact CG2-CG 4.44Å; P218-L240 HydrophobicContact CB-CD1 3.97Å; P218-L240 HydrophobicContact CB-CD2 3.64Å; P218-L240 HydrophobicContact CB-CG 4.48Å; P218-L240 HydrophobicContact CG-CD1 3.67Å; P218-L240 HydrophobicContact CG-CD2 4.27Å; P218-E263 HydrophobicContact CG-CB 4.16Å; P218-P264 WeakPolarHBondContact CD-O 3.27Å; P218-P264 VanDerWaalsContact CG-O 3.24Å; P218-P264 WeakPolarHBondContact CG-O 3.39Å; P218-V265 WeakPolarHBondContact O-CA 3.47Å
219	P	95.9	Very high	97.3	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.019	11%	0.113	C	C	.	.			trans	-66	158.7	176.7	22.1	-31.4	0	0	0	113.4	L127 Y169 A178 Y182 E217 G221	L127-P219 HydrophobicContact CD2-CG 4.02Å; Y169-P219 HydrophobicContact CD1-CB 3.56Å; Y169-P219 HydrophobicContact CD1-CG 3.97Å; Y169-P219 HydrophobicContact CE1-CB 3.89Å; Y169-P219 HydrophobicContact CE1-CG 3.85Å; Y169-P219 HydrophobicContact CG-CB 3.98Å; A178-P219 HydrophobicContact CB-CB 4Å; A178-P219 HydrophobicContact CB-CG 3.5Å; A178-P219 VanDerWaalsContact CB-CG 3.5Å; Y182-P219 VanDerWaalsContact CE2-O 3.31Å; Y182-P219 WeakPolarHBondContact CE2-O 3.46Å; Y182-P219 VanDerWaalsContact OH-CD 3.28Å; Y182-P219 WeakPolarHBondContact OH-CD 3.44Å; Y182-P219 PolarHBondContact OH-O 3.26Å; E217-P219 WeakPolarHBondContact O-CD 3.26Å; P219-G221 VanDerWaalsContact C-N 3.26Å; P219-G221 PolarHBondContact O-N 3.11Å
220	P	95.4	Very high	97.1	Very high	11 Å²	11	22.9 Å²	22.9	7%	0.071	13%	0.128	C	C	.	.			trans	-67.6	-21.6	178.6	23.5	-31.9	0	0	0	114.8	F223 R229 A235 N239 V265 Y267	P220-F223 HydrophobicContact CG-CD1 4.41Å; P220-R229 WeakPolarHBondContact CB-O 3.29Å; P220-A235 HydrophobicContact CB-CB 4.16Å; P220-A235 WeakPolarHBondContact O-CB 3.38Å; P220-N239 PolarHBondContact O-ND2 3.13Å; P220-V265 HydrophobicContact CB-CG1 4.31Å; P220-V265 HydrophobicContact CB-CG2 4.43Å; P220-Y267 WeakPolarHBondContact CB-OH 3.46Å
221	G	97	Very high	97	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	15%	0.147	C	C	.	.			trans	94.5	-171.6	-168.2	0	0	0	0	0	112.8	S175 P219 F223	S175-G221 CarbonylContact O-C 3.26Å; P219-G221 VanDerWaalsContact C-N 3.26Å; P219-G221 PolarHBondContact O-N 3.11Å; G221-F223 PolarHBondContact O-N 3.29Å
222	N	97.6	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.			trans	-80	94.4	-171.9	-169.4	-18.6	0	0	0	111.8	S175 E176 Q179 Y224 T225 N226 R229	S175-N222 WeakPolarHBondContact O-CA 3.23Å; S175-N222 WeakPolarHBondContact O-CB 3.32Å; S175-N222 PolarHBondContact O-N 3.31Å; S175-N222 VanDerWaalsContact O-N 3.1Å; E176-N222 PolarHBondContact OE2-ND2 3.03Å; Q179-N222 HydrophobicContact CB-CB 3.79Å; Q179-N222 HydrophobicContact CG-CB 4.27Å; N222-Y224 VanDerWaalsContact C-N 3.32Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.15Å; N222-Y224 VanDerWaalsContact OD1-CB 3.26Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.09Å; N222-Y224 PolarHBondContact OD1-N 2.75Å; N222-T225 PolarHBondContact O-OG1 2.59Å; N222-T225 PolarHBondContact OD1-N 3.01Å; N222-N226 PolarHBondContact O-N 3.31Å; N222-R229 WeakPolarHBondContact O-CD 3.43Å; N222-R229 PolarHBondContact O-NH1 2.93Å
223	F	96.8	Very high	96.8	Very high	43 Å²	43	27.5 Å²	27.5	19%	0.189	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.8	176.6	58.1	-95.7	0	0	0	113.9	L170 P220 G221 N226 P227 R229	L170-F223 HydrophobicContact CD2-CE1 4.47Å; L170-F223 HydrophobicContact CD2-CZ 4.2Å; P220-F223 HydrophobicContact CG-CD1 4.41Å; G221-F223 PolarHBondContact O-N 3.29Å; F223-N226 WeakPolarHBondContact CA-O 3.42Å; F223-N226 CarbonylContact O-C 3.53Å; F223-P227 WeakPolarHBondContact O-CA 3.33Å; F223-P227 VanDerWaalsContact O-N 3.12Å; F223-R229 HydrophobicContact CB-CB 4.37Å
224	Y	96.8	Very high	96.7	Very high	77 Å²	77	29.7 Å²	29.7	30%	0.302	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-33.2	173.2	-60.8	-81	0	0	0	112.2	W156 T157 L170 Y172 N222	W156-Y224 AromaticContact CH2-CD1 3.95Å; W156-Y224 HydrophobicContact CH2-CD1 3.95Å; W156-Y224 AromaticContact CH2-CE1 3.83Å; W156-Y224 HydrophobicContact CH2-CE1 3.83Å; W156-Y224 AromaticContact CZ3-CD1 3.94Å; W156-Y224 HydrophobicContact CZ3-CD1 3.94Å; W156-Y224 HydrophobicContact CZ3-CD2 4.44Å; W156-Y224 AromaticContact CZ3-CE1 3.67Å; W156-Y224 HydrophobicContact CZ3-CE1 3.67Å; W156-Y224 HydrophobicContact CZ3-CE2 4.2Å; W156-Y224 HydrophobicContact CZ3-CG 4.32Å; W156-Y224 AromaticContact CZ3-CZ 3.82Å; T157-Y224 HydrophobicContact CG2-CE1 4.14Å; L170-Y224 PolarHBondContact O-OH 3.07Å; Y172-Y224 HydrophobicContact CD2-CD1 4.46Å; Y172-Y224 AromaticContact CD2-CD2 3.61Å; Y172-Y224 HydrophobicContact CD2-CD2 3.61Å; Y172-Y224 HydrophobicContact CD2-CE2 4.37Å; Y172-Y224 AromaticContact CD2-CG 3.67Å; Y172-Y224 HydrophobicContact CD2-CG 3.67Å; Y172-Y224 HydrophobicContact CE2-CD2 4.35Å; Y172-Y224 HydrophobicContact CE2-CG 4.14Å; Y172-Y224 HydrophobicContact CG-CD2 4.26Å; N222-Y224 VanDerWaalsContact C-N 3.32Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.15Å; N222-Y224 VanDerWaalsContact OD1-CB 3.26Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.09Å; N222-Y224 PolarHBondContact OD1-N 2.75Å
225	T	96.3	Very high	96.6	Very high	76 Å²	76	29.7 Å²	29.7	47%	0.466	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-24.8	176.4	57.6	0	0	0	0	112.9	N222 R229	N222-T225 PolarHBondContact O-OG1 2.59Å; N222-T225 PolarHBondContact OD1-N 3.01Å; T225-R229 PolarHBondContact OG1-NH1 2.99Å
226	N	96.8	Very high	96.6	Very high	36 Å²	36	29.7 Å²	29.7	19%	0.193	16%	0.157	C	C	.	.			trans	-146.5	101.1	171	-179.3	0	0	0	0	110.2	N222 F223 L228 R229 Y234	N222-N226 PolarHBondContact O-N 3.31Å; F223-N226 WeakPolarHBondContact CA-O 3.42Å; F223-N226 CarbonylContact O-C 3.53Å; N226-L228 PolarHBondContact O-N 2.92Å; N226-L228 VanDerWaalsContact OD1-CB 3.24Å; N226-L228 WeakPolarHBondContact OD1-CB 3.48Å; N226-L228 VanDerWaalsContact OD1-CG 3.23Å; N226-L228 WeakPolarHBondContact OD1-CG 3.37Å; N226-L228 PolarHBondContact OD1-N 2.96Å; N226-R229 HydrophobicContact CB-CG 4.36Å; N226-R229 WeakPolarHBondContact O-CB 3.36Å; N226-R229 PolarHBondContact O-N 3.35Å; N226-Y234 PolarHBondContact ND2-OH 3.18Å
227	P	96	Very high	96.4	Very high	93 Å²	93	33 Å²	33	60%	0.604	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-54.9	-24.6	-176.2	-27.8	35.3	0	0	0	114	F223 R229 G230	F223-P227 WeakPolarHBondContact O-CA 3.33Å; F223-P227 VanDerWaalsContact O-N 3.12Å; P227-R229 PolarHBondContact O-N 3.03Å; P227-G230 PolarHBondContact O-N 3.32Å
228	L	95.2	Very high	96.4	Very high	57 Å²	57	38.1 Å²	38.1	30%	0.298	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-61.9	-27.9	179.8	-55	-175.4	0	0	0	113.2	N226 G230 F231 Y234 W278	N226-L228 PolarHBondContact O-N 2.92Å; N226-L228 VanDerWaalsContact OD1-CB 3.24Å; N226-L228 WeakPolarHBondContact OD1-CB 3.48Å; N226-L228 VanDerWaalsContact OD1-CG 3.23Å; N226-L228 WeakPolarHBondContact OD1-CG 3.37Å; N226-L228 PolarHBondContact OD1-N 2.96Å; L228-G230 PolarHBondContact O-N 3.01Å; L228-F231 WeakPolarHBondContact O-CB 3.34Å; L228-F231 PolarHBondContact O-N 2.84Å; L228-Y234 HydrophobicContact CB-CD1 4.23Å; L228-Y234 HydrophobicContact CB-CD2 3.85Å; L228-Y234 HydrophobicContact CB-CE1 4.26Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CB-CG 4.05Å; L228-Y234 HydrophobicContact CD1-CD2 4.45Å; L228-Y234 HydrophobicContact CD1-CE2 3.97Å; L228-Y234 VanDerWaalsContact O-CB 3.24Å; L228-Y234 WeakPolarHBondContact O-CB 3.28Å; L228-W278 HydrophobicContact CB-CE3 4.48Å; L228-W278 HydrophobicContact CB-CZ3 3.7Å; L228-W278 HydrophobicContact CD1-CH2 3.53Å; L228-W278 HydrophobicContact CD1-CZ3 3.5Å; L228-W278 VanDerWaalsContact CD1-CZ3 3.5Å; L228-W278 HydrophobicContact CD2-CE3 4.16Å; L228-W278 HydrophobicContact CD2-CH2 3.65Å; L228-W278 HydrophobicContact CD2-CZ3 3.15Å; L228-W278 HydrophobicContact CG-CH2 4.03Å; L228-W278 HydrophobicContact CG-CZ3 3.53Å
229	R	95.5	Very high	96.4	Very high	28 Å²	28	38.5 Å²	38.5	11%	0.106	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.4	-23.5	176.3	-67.9	166.3	179.2	146	-6.8	112.6	Q179 E183 P220 N222 F223 T225 N226 P227 F231 Y234	Q179-R229 VanDerWaalsContact CD-NE 3.3Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.12Å; Q179-R229 VanDerWaalsContact OE1-CD 3.26Å; Q179-R229 VanDerWaalsContact OE1-NE 3.09Å; E183-R229 IonicContact OE1-NH2 3.69Å; E183-R229 PolarHBondContact OE1-NH2 2.95Å; P220-R229 WeakPolarHBondContact CB-O 3.29Å; N222-R229 WeakPolarHBondContact O-CD 3.43Å; N222-R229 PolarHBondContact O-NH1 2.93Å; F223-R229 HydrophobicContact CB-CB 4.37Å; T225-R229 PolarHBondContact OG1-NH1 2.99Å; N226-R229 HydrophobicContact CB-CG 4.36Å; N226-R229 WeakPolarHBondContact O-CB 3.36Å; N226-R229 PolarHBondContact O-N 3.35Å; P227-R229 PolarHBondContact O-N 3.03Å; R229-F231 PolarHBondContact O-N 3.3Å; R229-Y234 HydrophobicContact CG-CD1 4.07Å; R229-Y234 HydrophobicContact CG-CE1 3.81Å
230	G	94.9	Very high	96.5	Very high	29 Å²	29	38.4 Å²	38.4	30%	0.299	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.4	-12.1	172.2	0	0	0	0	0	113.6	P227 L228 Y267	P227-G230 PolarHBondContact O-N 3.32Å; L228-G230 PolarHBondContact O-N 3.01Å; G230-Y267 PolarHBondContact O-OH 2.9Å
231	F	96.2	Very high	96.6	Very high	94 Å²	94	38.7 Å²	38.7	41%	0.412	19%	0.191	S	C	.	.	S	Bend	trans	-88	126.7	169.9	-64.8	-74.3	0	0	0	110.1	L228 R229 G233 Y234 A235 W278 L279	L228-F231 WeakPolarHBondContact O-CB 3.34Å; L228-F231 PolarHBondContact O-N 2.84Å; R229-F231 PolarHBondContact O-N 3.3Å; F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.28Å; F231-Y234 WeakPolarHBondContact O-CB 3.3Å; F231-Y234 PolarHBondContact O-N 3.24Å; F231-Y234 VanDerWaalsContact O-N 3.11Å; F231-A235 PolarHBondContact O-N 3.26Å; F231-W278 HydrophobicContact CB-CB 4.32Å; F231-W278 VanDerWaalsContact CB-O 3.29Å; F231-W278 WeakPolarHBondContact CB-O 3.23Å; F231-W278 AromaticContact CD2-CE3 3.89Å; F231-W278 HydrophobicContact CD2-CE3 3.89Å; F231-W278 HydrophobicContact CD2-CZ3 4.48Å; F231-W278 HydrophobicContact CE2-CE3 4.42Å; F231-W278 HydrophobicContact CG-CB 4.45Å; F231-W278 HydrophobicContact CG-CE3 4.42Å; F231-L279 HydrophobicContact CD1-CD2 4.09Å
232	P	96.8	Very high	96.6	Very high	6 Å²	6	41 Å²	41	4%	0.039	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-32.5	-167.1	27.1	-30.8	0	0	0	112.3	A235 G236 V265 Y267 G280	P232-A235 PolarHBondContact O-N 3.14Å; P232-G236 PolarHBondContact O-N 3.34Å; P232-V265 HydrophobicContact CB-CB 4.22Å; P232-Y267 HydrophobicContact CB-CD2 3.94Å; P232-Y267 HydrophobicContact CB-CE2 3.64Å; P232-Y267 HydrophobicContact CG-CD2 3.96Å; P232-Y267 HydrophobicContact CG-CE2 3.8Å; P232-G280 CarbonylContact C-O 3.48Å
233	G	96.7	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-33.4	177	0	0	0	0	0	112.5	F231 R237 G277 W278 G280 G282	F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.28Å; G233-R237 WeakPolarHBondContact O-CB 3.48Å; G233-R237 PolarHBondContact O-N 3.14Å; G233-R237 VanDerWaalsContact O-N 3.1Å; G233-G277 CarbonylContact C-O 3.5Å; G233-G277 WeakPolarHBondContact CA-O 3.31Å; G233-W278 VanDerWaalsContact CA-O 3.24Å; G233-W278 WeakPolarHBondContact CA-O 3.13Å; G233-W278 PolarHBondContact N-O 3.12Å; G233-G280 WeakPolarHBondContact CA-O 3.5Å; G233-G280 PolarHBondContact N-O 2.89Å; G233-G280 VanDerWaalsContact N-O 3.14Å; G233-G282 WeakPolarHBondContact O-CA 3.38Å
234	Y	96.3	Very high	96.8	Very high	45 Å²	45	39 Å²	39	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-50.2	172.7	-176.7	-78.2	0	0	0	110.2	N226 L228 R229 F231 R237 Y238 G277 W278	N226-Y234 PolarHBondContact ND2-OH 3.18Å; L228-Y234 HydrophobicContact CB-CD1 4.23Å; L228-Y234 HydrophobicContact CB-CD2 3.85Å; L228-Y234 HydrophobicContact CB-CE1 4.26Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CB-CG 4.05Å; L228-Y234 HydrophobicContact CD1-CD2 4.45Å; L228-Y234 HydrophobicContact CD1-CE2 3.97Å; L228-Y234 VanDerWaalsContact O-CB 3.24Å; L228-Y234 WeakPolarHBondContact O-CB 3.28Å; R229-Y234 HydrophobicContact CG-CD1 4.07Å; R229-Y234 HydrophobicContact CG-CE1 3.81Å; F231-Y234 WeakPolarHBondContact O-CB 3.3Å; F231-Y234 PolarHBondContact O-N 3.24Å; F231-Y234 VanDerWaalsContact O-N 3.11Å; Y234-R237 PolarHBondContact O-N 2.04Å; Y234-Y238 AromaticContact CD1-CD2 3.87Å; Y234-Y238 HydrophobicContact CD1-CD2 3.87Å; Y234-Y238 AromaticContact CD2-CD2 3.52Å; Y234-Y238 HydrophobicContact CD2-CD2 3.52Å; Y234-Y238 AromaticContact CD2-CE2 3.55Å; Y234-Y238 HydrophobicContact CD2-CE2 3.55Å; Y234-Y238 AromaticContact CE1-CD2 3.83Å; Y234-Y238 HydrophobicContact CE1-CD2 3.83Å; Y234-Y238 HydrophobicContact CE1-CG 4.32Å; Y234-Y238 AromaticContact CE2-CD2 3.48Å; Y234-Y238 HydrophobicContact CE2-CD2 3.48Å; Y234-Y238 VanDerWaalsContact CE2-CD2 3.48Å; Y234-Y238 AromaticContact CE2-CE2 3.53Å; Y234-Y238 HydrophobicContact CE2-CE2 3.53Å; Y234-Y238 HydrophobicContact CE2-CG 4.43Å; Y234-Y238 AromaticContact CG-CD2 3.71Å; Y234-Y238 HydrophobicContact CG-CD2 3.71Å; Y234-Y238 HydrophobicContact CG-CE2 4.16Å; Y234-Y238 AromaticContact CZ-CD2 3.63Å; Y234-Y238 VanDerWaalsContact O-CD2 3.3Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.31Å; Y234-Y238 PolarHBondContact O-N 2.93Å; Y234-G277 PolarHBondContact N-O 2.96Å; Y234-W278 HydrophobicContact CD2-CE3 4.37Å; Y234-W278 HydrophobicContact CD2-CZ3 4.11Å; Y234-W278 PolarHBondContact N-O 3.47Å
235	A	97.2	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-47.6	178	0	0	0	0	0	112	P220 F231 P232 R237 Y238 N239 L240 V265	P220-A235 HydrophobicContact CB-CB 4.16Å; P220-A235 WeakPolarHBondContact O-CB 3.38Å; F231-A235 PolarHBondContact O-N 3.26Å; P232-A235 PolarHBondContact O-N 3.14Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.26Å; A235-Y238 PolarHBondContact O-N 3.47Å; A235-N239 WeakPolarHBondContact O-CA 3.29Å; A235-N239 VanDerWaalsContact O-CB 3.24Å; A235-N239 WeakPolarHBondContact O-CB 3.01Å; A235-N239 PolarHBondContact O-N 2.96Å; A235-L240 PolarHBondContact O-N 3.29Å; A235-V265 HydrophobicContact CB-CG2 3.65Å
236	G	97.1	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-57.9	-39.2	176.6	0	0	0	0	0	112.8	P232 L241 F283	P232-G236 PolarHBondContact O-N 3.34Å; G236-L241 WeakPolarHBondContact O-CB 3.42Å; G236-L241 PolarHBondContact O-N 2.88Å; G236-F283 VanDerWaalsContact O-CE1 3.31Å; G236-F283 WeakPolarHBondContact O-CE1 3.33Å
237	R	95.6	Very high	97.1	Very high	71 Å²	71	33 Å²	33	27%	0.268	16%	0.164	S	C	.	.	I	π-helix	trans	-76.5	-43.1	-178	-172	174.9	-147.4	168.3	-1.4	114.4	G233 Y234 A235 R284	G233-R237 WeakPolarHBondContact O-CB 3.48Å; G233-R237 PolarHBondContact O-N 3.14Å; G233-R237 VanDerWaalsContact O-N 3.1Å; Y234-R237 PolarHBondContact O-N 2.04Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.26Å; R237-R284 VanDerWaalsContact NH2-NE 3.12Å
238	Y	96.4	Very high	97.2	Very high	129 Å²	129	28.9 Å²	28.9	51%	0.506	14%	0.137	S	C	.	.	I	π-helix	trans	-104	-24.4	-169.4	-64.6	-70.3	0	0	0	113.7	Y234 A235	Y234-Y238 AromaticContact CD1-CD2 3.87Å; Y234-Y238 HydrophobicContact CD1-CD2 3.87Å; Y234-Y238 AromaticContact CD2-CD2 3.52Å; Y234-Y238 HydrophobicContact CD2-CD2 3.52Å; Y234-Y238 AromaticContact CD2-CE2 3.55Å; Y234-Y238 HydrophobicContact CD2-CE2 3.55Å; Y234-Y238 AromaticContact CE1-CD2 3.83Å; Y234-Y238 HydrophobicContact CE1-CD2 3.83Å; Y234-Y238 HydrophobicContact CE1-CG 4.32Å; Y234-Y238 AromaticContact CE2-CD2 3.48Å; Y234-Y238 HydrophobicContact CE2-CD2 3.48Å; Y234-Y238 VanDerWaalsContact CE2-CD2 3.48Å; Y234-Y238 AromaticContact CE2-CE2 3.53Å; Y234-Y238 HydrophobicContact CE2-CE2 3.53Å; Y234-Y238 HydrophobicContact CE2-CG 4.43Å; Y234-Y238 AromaticContact CG-CD2 3.71Å; Y234-Y238 HydrophobicContact CG-CD2 3.71Å; Y234-Y238 HydrophobicContact CG-CE2 4.16Å; Y234-Y238 AromaticContact CZ-CD2 3.63Å; Y234-Y238 VanDerWaalsContact O-CD2 3.3Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.31Å; Y234-Y238 PolarHBondContact O-N 2.93Å; A235-Y238 PolarHBondContact O-N 3.47Å
239	N	97.5	Very high	97.3	Very high	10 Å²	10	29 Å²	29	5%	0.053	14%	0.136	C	C	.	.	I	π-helix	trans	-100.1	-60.8	174.7	-72.9	-15.8	0	0	0	110.7	Q179 Y182 P220 A235 V243	Q179-N239 PolarHBondContact NE2-OD1 3.05Å; Q179-N239 PolarHBondContact OE1-ND2 3.11Å; Q179-N239 VanDerWaalsContact OE1-ND2 3.11Å; Y182-N239 HydrophobicContact CD1-CB 4.44Å; Y182-N239 HydrophobicContact CD2-CB 3.54Å; Y182-N239 HydrophobicContact CE2-CB 4.14Å; Y182-N239 HydrophobicContact CG-CB 3.73Å; P220-N239 PolarHBondContact O-ND2 3.13Å; A235-N239 WeakPolarHBondContact O-CA 3.29Å; A235-N239 VanDerWaalsContact O-CB 3.24Å; A235-N239 WeakPolarHBondContact O-CB 3.01Å; A235-N239 PolarHBondContact O-N 2.96Å; N239-V243 WeakPolarHBondContact O-CG2 3.29Å
240	L	98.3	Very high	97.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.141	C	C	.	.	I	π-helix	trans	-75.2	-51.9	-167.4	-55.7	-178.8	0	0	0	114.1	Y182 P218 A235 V243 Y244 V265 F283	Y182-L240 HydrophobicContact CD1-CD2 4.34Å; Y182-L240 HydrophobicContact CE1-CD2 3.58Å; Y182-L240 HydrophobicContact CE2-CD2 4.38Å; P218-L240 HydrophobicContact CB-CD1 3.97Å; P218-L240 HydrophobicContact CB-CD2 3.64Å; P218-L240 HydrophobicContact CB-CG 4.48Å; P218-L240 HydrophobicContact CG-CD1 3.67Å; P218-L240 HydrophobicContact CG-CD2 4.27Å; A235-L240 PolarHBondContact O-N 3.29Å; L240-V243 PolarHBondContact O-N 2.92Å; L240-V243 VanDerWaalsContact O-N 3.12Å; L240-Y244 HydrophobicContact CB-CD2 4.23Å; L240-Y244 HydrophobicContact CB-CE2 3.84Å; L240-Y244 VanDerWaalsContact O-CG 3.3Å; L240-Y244 PolarHBondContact O-N 3.31Å; L240-V265 HydrophobicContact CD1-CG2 3.93Å; L240-F283 HydrophobicContact CB-CE1 4.08Å; L240-F283 HydrophobicContact CB-CZ 4.19Å; L240-F283 HydrophobicContact CD1-CZ 4.31Å
241	L	97.6	Very high	97.7	Very high	17 Å²	17	28.8 Å²	28.8	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-43.8	-173.4	-174.1	62.5	0	0	0	113.8	G236 V243 Y244 D245 F283 R285 P287	G236-L241 WeakPolarHBondContact O-CB 3.42Å; G236-L241 PolarHBondContact O-N 2.88Å; L241-V243 VanDerWaalsContact C-N 3.34Å; L241-V243 PolarHBondContact O-N 3.41Å; L241-Y244 PolarHBondContact O-N 3.05Å; L241-D245 PolarHBondContact O-N 3.26Å; L241-F283 HydrophobicContact CB-CD1 3.96Å; L241-F283 HydrophobicContact CB-CE1 4.04Å; L241-F283 HydrophobicContact CD1-CD1 4.04Å; L241-F283 HydrophobicContact CG-CD1 4.41Å; L241-R285 HydrophobicContact CD2-CG 4.48Å; L241-P287 HydrophobicContact CD1-CG 4.26Å
242	P	98	Very high	97.7	Very high	49 Å²	49	25.5 Å²	25.5	32%	0.318	11%	0.111	S	C	.	.	H	α-helix	trans	-60.9	-41.4	176.3	-24.5	35.8	0	0	0	113.2	W189 Y246	W189-P242 HydrophobicContact CH2-CB 3.93Å; W189-P242 HydrophobicContact CZ2-CB 4.48Å; P242-Y246 PolarHBondContact O-N 3.47Å
243	V	98.3	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-45.9	178.3	-172.8	0	0	0	0	109.5	Y182 W189 W192 N239 L240 L241 D245 Y246 L247	Y182-V243 HydrophobicContact CD1-CG2 4.15Å; W189-V243 HydrophobicContact CD2-CG2 4.49Å; W189-V243 HydrophobicContact CH2-CG2 4.41Å; W189-V243 HydrophobicContact CZ2-CB 4.32Å; W189-V243 HydrophobicContact CZ2-CG2 3.49Å; W189-V243 VanDerWaalsContact CZ2-CG2 3.49Å; W192-V243 HydrophobicContact CD2-CG1 4.5Å; W192-V243 HydrophobicContact CE3-CG1 3.61Å; W192-V243 HydrophobicContact CH2-CG1 4.1Å; W192-V243 HydrophobicContact CZ3-CB 4.47Å; W192-V243 HydrophobicContact CZ3-CG1 3.41Å; W192-V243 VanDerWaalsContact CZ3-CG1 3.41Å; N239-V243 WeakPolarHBondContact O-CG2 3.29Å; L240-V243 PolarHBondContact O-N 2.92Å; L240-V243 VanDerWaalsContact O-N 3.12Å; L241-V243 VanDerWaalsContact C-N 3.34Å; L241-V243 PolarHBondContact O-N 3.41Å; V243-D245 VanDerWaalsContact C-N 3.32Å; V243-D245 PolarHBondContact O-N 3.13Å; V243-Y246 WeakPolarHBondContact O-CA 3.06Å; V243-Y246 VanDerWaalsContact O-CB 3.3Å; V243-Y246 WeakPolarHBondContact O-CB 3.43Å; V243-Y246 PolarHBondContact O-N 2.84Å; V243-L247 HydrophobicContact CG1-CD1 4.23Å; V243-L247 HydrophobicContact CG1-CG 4.27Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 3.25Å
244	Y	98.8	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-37.5	179.1	-65.3	-14.5	0	0	0	112.7	W192 L214 I215 L240 L241 Y246 L247 V248 E263 F283 P287	W192-Y244 HydrophobicContact CH2-CE1 4.17Å; W192-Y244 HydrophobicContact CZ2-CE1 4.41Å; L214-Y244 HydrophobicContact CB-CD1 4.26Å; L214-Y244 HydrophobicContact CB-CE1 4.08Å; L214-Y244 HydrophobicContact CD1-CD1 3.66Å; L214-Y244 HydrophobicContact CD1-CD2 4.33Å; L214-Y244 HydrophobicContact CD1-CE1 4.24Å; L214-Y244 HydrophobicContact CD1-CG 3.7Å; I215-Y244 HydrophobicContact CG2-CE1 3.68Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.33Å; L240-Y244 HydrophobicContact CB-CD2 4.23Å; L240-Y244 HydrophobicContact CB-CE2 3.84Å; L240-Y244 VanDerWaalsContact O-CG 3.3Å; L240-Y244 PolarHBondContact O-N 3.31Å; L241-Y244 PolarHBondContact O-N 3.05Å; Y244-Y246 VanDerWaalsContact C-N 3.29Å; Y244-Y246 PolarHBondContact O-N 3.08Å; Y244-L247 HydrophobicContact CD1-CD1 4.25Å; Y244-L247 PolarHBondContact O-N 2.64Å; Y244-V248 WeakPolarHBondContact O-CB 3.3Å; Y244-V248 VanDerWaalsContact O-CG2 3.29Å; Y244-V248 WeakPolarHBondContact O-CG2 3.28Å; Y244-V248 PolarHBondContact O-N 2.86Å; Y244-E263 VanDerWaalsContact CE2-O 3.3Å; Y244-E263 WeakPolarHBondContact CE2-O 3.41Å; Y244-E263 PolarHBondContact OH-O 2.89Å; Y244-E263 VanDerWaalsContact OH-O 3.12Å; Y244-F283 HydrophobicContact CD2-CE1 4.38Å; Y244-F283 HydrophobicContact CD2-CZ 4.21Å; Y244-F283 HydrophobicContact CE2-CE1 4.46Å; Y244-F283 AromaticContact CE2-CZ 3.91Å; Y244-F283 HydrophobicContact CE2-CZ 3.91Å; Y244-P287 HydrophobicContact CD2-CG 4.04Å; Y244-P287 HydrophobicContact CG-CG 4.31Å
245	D	98.6	Very high	97.9	Very high	16 Å²	16	34 Å²	34	9%	0.086	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-43.2	171.3	-75	-28.8	0	0	0	112.3	L241 V243 E249 R285 P287 G288 N290	L241-D245 PolarHBondContact O-N 3.26Å; V243-D245 VanDerWaalsContact C-N 3.32Å; V243-D245 PolarHBondContact O-N 3.13Å; D245-E249 WeakPolarHBondContact O-CB 3.18Å; D245-E249 PolarHBondContact O-N 3Å; D245-R285 VanDerWaalsContact CG-NH1 3.29Å; D245-R285 IonicContact OD1-CZ 2.7Å; D245-R285 IonicContact OD1-NH1 3.65Å; D245-R285 PolarHBondContact OD1-NH1 2.9Å; D245-R285 IonicContact OD1-NH2 2.98Å; D245-R285 IonicContact OD2-CZ 2.86Å; D245-R285 VanDerWaalsContact OD2-CZ 3.29Å; D245-R285 IonicContact OD2-NH1 3.29Å; D245-R285 PolarHBondContact OD2-NH1 2.86Å; D245-R285 VanDerWaalsContact OD2-NH1 3.11Å; D245-R285 IonicContact OD2-NH2 3.7Å; D245-R285 PolarHBondContact OD2-NH2 2.91Å; D245-P287 WeakPolarHBondContact OD1-CA 3.24Å; D245-G288 PolarHBondContact OD1-N 3.16Å; D245-N290 PolarHBondContact OD2-ND2 3.27Å
246	Y	98.5	Very high	97.9	Very high	48 Å²	48	39.9 Å²	39.9	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-48.5	176.9	-176.8	-93.9	0	0	0	111.1	W189 N190 P242 V243 Y244 V248 E249 R250	W189-Y246 HydrophobicContact CB-CD1 3.86Å; W189-Y246 HydrophobicContact CB-CE1 3.87Å; W189-Y246 HydrophobicContact CE3-CD1 4.28Å; W189-Y246 HydrophobicContact CE3-CD2 4.1Å; W189-Y246 AromaticContact CE3-CG 3.81Å; W189-Y246 HydrophobicContact CE3-CG 3.81Å; W189-Y246 HydrophobicContact CZ3-CG 4.47Å; W189-Y246 VanDerWaalsContact O-CE1 3.23Å; W189-Y246 WeakPolarHBondContact O-CE1 3.36Å; N190-Y246 PolarHBondContact OD1-OH 2.61Å; P242-Y246 PolarHBondContact O-N 3.47Å; V243-Y246 WeakPolarHBondContact O-CA 3.06Å; V243-Y246 VanDerWaalsContact O-CB 3.3Å; V243-Y246 WeakPolarHBondContact O-CB 3.43Å; V243-Y246 PolarHBondContact O-N 2.84Å; Y244-Y246 VanDerWaalsContact C-N 3.29Å; Y244-Y246 PolarHBondContact O-N 3.08Å; Y246-V248 PolarHBondContact O-N 2.66Å; Y246-E249 WeakPolarHBondContact O-CB 3.31Å; Y246-E249 PolarHBondContact O-N 2.7Å; Y246-R250 HydrophobicContact CD1-CG 4.16Å; Y246-R250 HydrophobicContact CE1-CG 3.77Å; Y246-R250 VanDerWaalsContact O-CG 3.31Å; Y246-R250 WeakPolarHBondContact O-CG 3.31Å; Y246-R250 PolarHBondContact O-N 2.99Å; Y246-R250 VanDerWaalsContact O-N 3.08Å; Y246-R250 PolarHBondContact OH-NH1 2.69Å
247	L	98.8	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-44.4	179.1	-60.5	178.6	0	0	0	112	W192 L214 V243 Y244 E249 R250 I251	W192-L247 HydrophobicContact CB-CD2 3.83Å; W192-L247 HydrophobicContact CD2-CD1 3.66Å; W192-L247 HydrophobicContact CD2-CD2 4Å; W192-L247 HydrophobicContact CD2-CG 4.4Å; W192-L247 HydrophobicContact CE3-CD1 4.22Å; W192-L247 HydrophobicContact CG-CD1 4.06Å; W192-L247 HydrophobicContact CG-CD2 3.63Å; W192-L247 HydrophobicContact CG-CG 4.48Å; W192-L247 HydrophobicContact CH2-CD1 4.13Å; W192-L247 HydrophobicContact CZ2-CD1 3.54Å; W192-L247 HydrophobicContact CZ3-CD1 4.46Å; L214-L247 HydrophobicContact CD2-CB 4.25Å; L214-L247 HydrophobicContact CD2-CD1 4.37Å; V243-L247 HydrophobicContact CG1-CD1 4.23Å; V243-L247 HydrophobicContact CG1-CG 4.27Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 3.25Å; Y244-L247 HydrophobicContact CD1-CD1 4.25Å; Y244-L247 PolarHBondContact O-N 2.64Å; L247-E249 VanDerWaalsContact C-N 3.32Å; L247-E249 PolarHBondContact O-N 2.96Å; L247-R250 PolarHBondContact O-N 3.41Å; L247-R250 VanDerWaalsContact O-N 3.16Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.05Å
248	V	98.7	Very high	98	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-41	177.3	171.6	0	0	0	0	111	L214 Y244 Y246 R250 I251 R252 I260 P287	L214-V248 HydrophobicContact CD1-CG2 4.39Å; Y244-V248 WeakPolarHBondContact O-CB 3.3Å; Y244-V248 VanDerWaalsContact O-CG2 3.29Å; Y244-V248 WeakPolarHBondContact O-CG2 3.28Å; Y244-V248 PolarHBondContact O-N 2.86Å; Y246-V248 PolarHBondContact O-N 2.66Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.49Å; V248-I251 PolarHBondContact O-N 3.26Å; V248-R252 HydrophobicContact CG1-CG 3.84Å; V248-R252 WeakPolarHBondContact O-CB 3.12Å; V248-R252 WeakPolarHBondContact O-CG 3.46Å; V248-R252 PolarHBondContact O-N 3.13Å; V248-I260 HydrophobicContact CG2-CB 4.33Å; V248-I260 HydrophobicContact CG2-CD1 4.26Å; V248-I260 HydrophobicContact CG2-CG1 3.89Å; V248-I260 HydrophobicContact CG2-CG2 3.74Å; V248-P287 HydrophobicContact CG2-CB 3.78Å
249	E	98.2	Very high	98.1	Very high	58 Å²	58	32.6 Å²	32.6	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-57.3	-45.7	173.9	177.5	-175.9	-174.1	0	0	112	D245 Y246 L247 Q253 R291	D245-E249 WeakPolarHBondContact O-CB 3.18Å; D245-E249 PolarHBondContact O-N 3Å; Y246-E249 WeakPolarHBondContact O-CB 3.31Å; Y246-E249 PolarHBondContact O-N 2.7Å; L247-E249 VanDerWaalsContact C-N 3.32Å; L247-E249 PolarHBondContact O-N 2.96Å; E249-Q253 PolarHBondContact O-N 2.99Å; E249-Q253 PolarHBondContact O-NE2 2.67Å; E249-R291 IonicContact OE1-CZ 3.11Å; E249-R291 IonicContact OE1-NH1 2.61Å; E249-R291 PolarHBondContact OE1-NH1 2.87Å; E249-R291 IonicContact OE1-NH2 3.94Å; E249-R291 IonicContact OE2-CZ 2.69Å; E249-R291 IonicContact OE2-NE 2.95Å; E249-R291 IonicContact OE2-NH1 2.69Å; E249-R291 PolarHBondContact OE2-NH1 2.84Å; E249-R291 IonicContact OE2-NH2 3.43Å; E249-R291 PolarHBondContact OE2-NH2 3.05Å
250	R	98.4	Very high	98.1	Very high	53 Å²	53	32.1 Å²	32.1	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-50	179.3	-63.6	-65.4	-58.4	-125.5	-5.9	111.4	D194 E197 Y246 L247 V248 R252 Q253	D194-R250 IonicContact OD1-NH2 3.73Å; D194-R250 PolarHBondContact OD1-NH2 3.04Å; E197-R250 VanDerWaalsContact CD-NE 3.33Å; E197-R250 HydrophobicContact CG-CB 3.99Å; E197-R250 IonicContact OE1-CZ 3.32Å; E197-R250 IonicContact OE1-NE 3.99Å; E197-R250 PolarHBondContact OE1-NE 2.63Å; E197-R250 IonicContact OE1-NH2 3.64Å; E197-R250 PolarHBondContact OE1-NH2 3.47Å; E197-R250 IonicContact OE2-CZ 3.52Å; E197-R250 IonicContact OE2-NE 3.41Å; E197-R250 IonicContact OE2-NH2 3.86Å; E197-R250 PolarHBondContact OE2-NH2 2.64Å; Y246-R250 HydrophobicContact CD1-CG 4.16Å; Y246-R250 HydrophobicContact CE1-CG 3.77Å; Y246-R250 VanDerWaalsContact O-CG 3.31Å; Y246-R250 WeakPolarHBondContact O-CG 3.31Å; Y246-R250 PolarHBondContact O-N 2.99Å; Y246-R250 VanDerWaalsContact O-N 3.08Å; Y246-R250 PolarHBondContact OH-NH1 2.69Å; L247-R250 PolarHBondContact O-N 3.41Å; L247-R250 VanDerWaalsContact O-N 3.16Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.49Å; R250-R252 VanDerWaalsContact C-N 3.32Å; R250-R252 PolarHBondContact O-N 3.41Å; R250-Q253 WeakPolarHBondContact O-CB 3.4Å; R250-Q253 PolarHBondContact O-N 3.46Å; R250-Q253 VanDerWaalsContact O-N 3.13Å
251	I	98.8	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55	-49.3	176.1	-71.2	165	0	0	0	110.7	W196 A200 Y212 L214 L247 V248 Q253 Y254 D255 I260	W196-I251 HydrophobicContact CB-CD1 3.93Å; W196-I251 HydrophobicContact CB-CG1 3.63Å; W196-I251 HydrophobicContact CD2-CD1 4.1Å; W196-I251 HydrophobicContact CE3-CD1 4.32Å; W196-I251 HydrophobicContact CG-CD1 3.94Å; W196-I251 HydrophobicContact CG-CG1 4.21Å; A200-I251 HydrophobicContact CB-CG2 4.11Å; Y212-I251 HydrophobicContact CD2-CD1 4.24Å; Y212-I251 HydrophobicContact CD2-CG2 3.8Å; Y212-I251 HydrophobicContact CE2-CG2 3.76Å; L214-I251 HydrophobicContact CD2-CD1 3.68Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.05Å; V248-I251 PolarHBondContact O-N 3.26Å; I251-Q253 PolarHBondContact O-N 3.07Å; I251-Y254 PolarHBondContact O-N 3.01Å; I251-D255 PolarHBondContact O-N 3.43Å; I251-I260 HydrophobicContact CD1-CD1 3.78Å; I251-I260 HydrophobicContact CG2-CD1 4.06Å
252	R	98.1	Very high	98.2	Very high	26 Å²	26	31.3 Å²	31.3	10%	0.098	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.9	-175	-66.9	-76	174.2	-114.6	7.1	112.2	V248 R250 Y254 D255 K256 S258	V248-R252 HydrophobicContact CG1-CG 3.84Å; V248-R252 WeakPolarHBondContact O-CB 3.12Å; V248-R252 WeakPolarHBondContact O-CG 3.46Å; V248-R252 PolarHBondContact O-N 3.13Å; R250-R252 VanDerWaalsContact C-N 3.32Å; R250-R252 PolarHBondContact O-N 3.41Å; R252-Y254 PolarHBondContact O-N 3.42Å; R252-D255 WeakPolarHBondContact CA-O 3.45Å; R252-D255 WeakPolarHBondContact CD-O 3.19Å; R252-D255 PolarHBondContact NH1-O 2.89Å; R252-K256 WeakPolarHBondContact O-CD 3.24Å; R252-K256 WeakPolarHBondContact O-CE 3.46Å; R252-K256 PolarHBondContact O-NZ 3.46Å; R252-S258 VanDerWaalsContact CZ-O 3.3Å; R252-S258 PolarHBondContact NH1-O 2.73Å; R252-S258 PolarHBondContact NH2-O 3.02Å
253	Q	97.7	Very high	98.3	Very high	111 Å²	111	29 Å²	29	52%	0.519	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.1	168.9	-62	-54.3	-40.5	0	0	112.7	E249 R250 I251	E249-Q253 PolarHBondContact O-N 2.99Å; E249-Q253 PolarHBondContact O-NE2 2.67Å; R250-Q253 WeakPolarHBondContact O-CB 3.4Å; R250-Q253 PolarHBondContact O-N 3.46Å; R250-Q253 VanDerWaalsContact O-N 3.13Å; I251-Q253 PolarHBondContact O-N 3.07Å
254	Y	98.3	Very high	98.2	Very high	111 Å²	111	29.2 Å²	29.2	44%	0.435	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-27.5	-172.9	-56.5	-78	0	0	0	113.7	E197 K201 I251 R252	E197-Y254 HydrophobicContact CB-CD2 4.22Å; E197-Y254 HydrophobicContact CB-CE2 4.11Å; E197-Y254 VanDerWaalsContact CD-CE2 3.48Å; E197-Y254 HydrophobicContact CG-CD2 3.95Å; E197-Y254 HydrophobicContact CG-CE2 3.7Å; K201-Y254 HydrophobicContact CD-CD1 4.1Å; K201-Y254 HydrophobicContact CD-CE1 4.11Å; K201-Y254 HydrophobicContact CD-CG 4.31Å; K201-Y254 VanDerWaalsContact CE-CE2 3.43Å; K201-Y254 VanDerWaalsContact CE-OH 3.31Å; K201-Y254 WeakPolarHBondContact CE-OH 3.5Å; K201-Y254 HydrophobicContact CG-CD1 3.46Å; K201-Y254 VanDerWaalsContact CG-CD1 3.46Å; K201-Y254 HydrophobicContact CG-CD2 4.07Å; K201-Y254 HydrophobicContact CG-CE1 3.99Å; K201-Y254 HydrophobicContact CG-CG 3.49Å; K201-Y254 VanDerWaalsContact CG-CG 3.49Å; K201-Y254 PolarHBondContact NZ-OH 3.25Å; K201-Y254 VanDerWaalsContact NZ-OH 3.13Å; I251-Y254 PolarHBondContact O-N 3.01Å; R252-Y254 PolarHBondContact O-N 3.42Å
255	D	98.1	Very high	98.1	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.032	13%	0.133	C	C	.	.			trans	-135	111.9	175.8	-176.7	-9	0	0	0	111.7	A200 G204 Y212 I251 R252 S257 S258	A200-D255 HydrophobicContact CB-CB 4.15Å; G204-D255 WeakPolarHBondContact CA-OD2 3.36Å; Y212-D255 HydrophobicContact CE2-CB 4.47Å; Y212-D255 PolarHBondContact OH-OD2 3.37Å; I251-D255 PolarHBondContact O-N 3.43Å; R252-D255 WeakPolarHBondContact CA-O 3.45Å; R252-D255 WeakPolarHBondContact CD-O 3.19Å; R252-D255 PolarHBondContact NH1-O 2.89Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 PolarHBondContact OD1-OG 2.92Å; D255-S257 VanDerWaalsContact OD1-OG 3.04Å; D255-S258 PolarHBondContact OD1-N 2.48Å; D255-S258 WeakPolarHBondContact OD2-CB 3.42Å; D255-S258 PolarHBondContact OD2-OG 2.93Å
256	K	96.2	Very high	97.9	Very high	125 Å²	125	30.2 Å²	30.2	54%	0.543	14%	0.139	S	C	.	.	S	Bend	trans	-87.3	-5.3	-177.3	-57.9	-67	179.7	-175	0	114.1	R252 K298	R252-K256 WeakPolarHBondContact O-CD 3.24Å; R252-K256 WeakPolarHBondContact O-CE 3.46Å; R252-K256 PolarHBondContact O-NZ 3.46Å; K256-K298 VanDerWaalsContact O-CD 3.3Å; K256-K298 WeakPolarHBondContact O-CD 3.28Å; K256-K298 WeakPolarHBondContact O-CE 3.23Å; K256-K298 PolarHBondContact O-NZ 3.19Å
257	S	95.9	Very high	97.6	Very high	47 Å²	47	32.3 Å²	32.3	33%	0.329	15%	0.147	S	C	.	.	S	Bend	trans	-127.7	-40.5	-159.9	66.3	0	0	0	0	115.2	K27 D255	K27-S257 WeakPolarHBondContact CE-OG 3.24Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 PolarHBondContact OD1-OG 2.92Å; D255-S257 VanDerWaalsContact OD1-OG 3.04Å
258	S	98.1	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-57.8	143	-179.3	-60.6	0	0	0	0	111.2	K27 R252 D255	K27-S258 VanDerWaalsContact CE-OG 3.31Å; K27-S258 WeakPolarHBondContact CE-OG 3.15Å; K27-S258 PolarHBondContact NZ-OG 2.85Å; R252-S258 VanDerWaalsContact CZ-O 3.3Å; R252-S258 PolarHBondContact NH1-O 2.73Å; R252-S258 PolarHBondContact NH2-O 3.02Å; D255-S258 PolarHBondContact OD1-N 2.48Å; D255-S258 WeakPolarHBondContact OD2-CB 3.42Å; D255-S258 PolarHBondContact OD2-OG 2.93Å
259	L	98.8	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146.6	-179.3	-56	178.1	0	0	0	110.3	I28 L30 F36 L210 G211 Y212 F261 K298 V300	I28-L259 HydrophobicContact CG2-CD1 4.4Å; L30-L259 HydrophobicContact CD1-CD2 4.37Å; L30-L259 HydrophobicContact CG-CD2 4.03Å; F36-L259 HydrophobicContact CD1-CD1 3.71Å; F36-L259 HydrophobicContact CE1-CD1 3.61Å; L210-L259 HydrophobicContact CD1-CD1 3.72Å; L210-L259 HydrophobicContact CG-CD1 4.16Å; L210-L259 VanDerWaalsContact O-CB 3.26Å; L210-L259 WeakPolarHBondContact O-CB 3.39Å; L210-L259 VanDerWaalsContact O-CG 3.28Å; L210-L259 WeakPolarHBondContact O-CG 3.22Å; L210-L259 PolarHBondContact O-N 3.49Å; L210-L259 VanDerWaalsContact O-N 3.11Å; G211-L259 CarbonylContact C-O 2.93Å; G211-L259 WeakPolarHBondContact CA-O 3.28Å; Y212-L259 PolarHBondContact N-O 2.91Å; L259-F261 HydrophobicContact CB-CD2 4.23Å; L259-F261 HydrophobicContact CB-CE2 3.84Å; L259-F261 HydrophobicContact CD1-CE2 4.29Å; L259-K298 CarbonylContact C-O 3.46Å; L259-K298 WeakPolarHBondContact CA-O 3.42Å; L259-K298 HydrophobicContact CD2-CB 4.41Å; L259-V300 HydrophobicContact CB-CG2 4.14Å; L259-V300 HydrophobicContact CD1-CG2 3.9Å; L259-V300 HydrophobicContact CG-CG2 4.47Å
260	I	98.9	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.7	169.3	-58	-61.2	0	0	0	107.4	Y212 L214 V248 I251 K298 S299 V300	Y212-I260 HydrophobicContact CD2-CD1 4.11Å; L214-I260 HydrophobicContact CD1-CG2 3.67Å; L214-I260 HydrophobicContact CD2-CG2 4.08Å; L214-I260 HydrophobicContact CG-CG2 3.78Å; V248-I260 HydrophobicContact CG2-CB 4.33Å; V248-I260 HydrophobicContact CG2-CD1 4.26Å; V248-I260 HydrophobicContact CG2-CG1 3.89Å; V248-I260 HydrophobicContact CG2-CG2 3.74Å; I251-I260 HydrophobicContact CD1-CD1 3.78Å; I251-I260 HydrophobicContact CG2-CD1 4.06Å; I260-K298 PolarHBondContact N-O 3.1Å; I260-S299 CarbonylContact O-C 3.54Å; I260-S299 WeakPolarHBondContact O-CA 3.48Å; I260-V300 PolarHBondContact O-N 2.93Å
261	F	98.9	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.1	168.8	-73.9	-108.2	0	0	0	107	F36 I119 L210 Y212 D213 L214 L259 V300 F351 T353	F36-F261 HydrophobicContact CE1-CZ 4.42Å; I119-F261 HydrophobicContact CD1-CD1 4.35Å; I119-F261 HydrophobicContact CD1-CE1 3.63Å; I119-F261 HydrophobicContact CD1-CE2 4.48Å; I119-F261 HydrophobicContact CD1-CZ 3.72Å; I119-F261 HydrophobicContact CG1-CE1 4.23Å; I119-F261 HydrophobicContact CG1-CE2 4.19Å; I119-F261 HydrophobicContact CG1-CZ 3.87Å; I119-F261 HydrophobicContact CG2-CD1 4.34Å; I119-F261 HydrophobicContact CG2-CD2 4.12Å; I119-F261 HydrophobicContact CG2-CE1 4.49Å; I119-F261 HydrophobicContact CG2-CE2 4.31Å; I119-F261 HydrophobicContact CG2-CG 4.15Å; I119-F261 HydrophobicContact CG2-CZ 4.49Å; L210-F261 HydrophobicContact CD2-CZ 4.04Å; L210-F261 HydrophobicContact CG-CE2 4.18Å; L210-F261 HydrophobicContact CG-CZ 4.11Å; Y212-F261 PolarHBondContact O-N 3.2Å; D213-F261 HydrophobicContact CB-CB 3.87Å; L214-F261 WeakPolarHBondContact CG-O 3.38Å; L214-F261 PolarHBondContact N-O 3.05Å; L259-F261 HydrophobicContact CB-CD2 4.23Å; L259-F261 HydrophobicContact CB-CE2 3.84Å; L259-F261 HydrophobicContact CD1-CE2 4.29Å; F261-V300 WeakPolarHBondContact CA-O 3.39Å; F261-V300 HydrophobicContact CD1-CB 3.91Å; F261-V300 HydrophobicContact CD1-CG1 3.73Å; F261-V300 HydrophobicContact CD2-CB 4.37Å; F261-V300 HydrophobicContact CE1-CB 3.99Å; F261-V300 HydrophobicContact CE1-CG1 3.59Å; F261-V300 HydrophobicContact CE1-CG2 4.34Å; F261-V300 HydrophobicContact CE2-CB 4.43Å; F261-V300 HydrophobicContact CE2-CG2 4.21Å; F261-V300 HydrophobicContact CG-CB 4.1Å; F261-V300 HydrophobicContact CG-CG1 4.42Å; F261-V300 HydrophobicContact CZ-CB 4.24Å; F261-V300 HydrophobicContact CZ-CG1 4.17Å; F261-V300 HydrophobicContact CZ-CG2 4.11Å; F261-F351 HydrophobicContact CD1-CB 4.29Å; F261-F351 HydrophobicContact CE1-CB 3.69Å; F261-F351 HydrophobicContact CE1-CD1 4.47Å; F261-F351 AromaticContact CE1-CD2 3.79Å; F261-F351 HydrophobicContact CE1-CD2 3.79Å; F261-F351 AromaticContact CE1-CG 3.75Å; F261-F351 HydrophobicContact CE1-CG 3.75Å; F261-F351 HydrophobicContact CZ-CD2 4.18Å; F261-T353 HydrophobicContact CD1-CG2 4.06Å; F261-T353 HydrophobicContact CE1-CG2 4.37Å
262	Y	98.8	Very high	96.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.8	-178.1	64.3	-80.5	0	0	0	109.5	F283 V286 P287 V300 L301 S302	Y262-F283 AromaticContact CD2-CD2 3.86Å; Y262-F283 HydrophobicContact CD2-CD2 3.86Å; Y262-F283 AromaticContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CZ 4.35Å; Y262-F283 AromaticContact CE2-CD2 3.65Å; Y262-F283 HydrophobicContact CE2-CD2 3.65Å; Y262-F283 HydrophobicContact CE2-CE2 4.01Å; Y262-F283 HydrophobicContact CE2-CG 4.29Å; Y262-V286 HydrophobicContact CE1-CB 4.29Å; Y262-V286 HydrophobicContact CE1-CG1 4.16Å; Y262-P287 HydrophobicContact CD1-CG 4.18Å; Y262-P287 HydrophobicContact CD2-CG 3.97Å; Y262-P287 HydrophobicContact CG-CG 3.73Å; Y262-V300 WeakPolarHBondContact CD1-O 3.47Å; Y262-V300 VanDerWaalsContact CE1-O 3.24Å; Y262-V300 WeakPolarHBondContact CE1-O 3.33Å; Y262-V300 PolarHBondContact N-O 3Å; Y262-L301 HydrophobicContact CD2-CD1 4.31Å; Y262-L301 HydrophobicContact CE2-CB 4.43Å; Y262-L301 HydrophobicContact CE2-CD1 3.86Å; Y262-S302 PolarHBondContact O-N 3Å
263	E	98.7	Very high	95.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	17%	0.169	C	C	.	.			trans	-94.5	142	-178.7	-67.3	-173.3	-148.3	0	0	111.5	R81 E217 P218 Y244 S302 H304	R81-E263 IonicContact NH2-OE1 3.03Å; R81-E263 PolarHBondContact NH2-OE1 2.99Å; E217-E263 PolarHBondContact N-OE2 3.22Å; P218-E263 HydrophobicContact CG-CB 4.16Å; Y244-E263 VanDerWaalsContact CE2-O 3.3Å; Y244-E263 WeakPolarHBondContact CE2-O 3.41Å; Y244-E263 PolarHBondContact OH-O 2.89Å; Y244-E263 VanDerWaalsContact OH-O 3.12Å; E263-S302 WeakPolarHBondContact CA-O 3.48Å; E263-S302 VanDerWaalsContact CG-CB 3.49Å; E263-S302 WeakPolarHBondContact CG-OG 3.23Å; E263-H304 IonicContact OE1-CE1 2.85Å; E263-H304 IonicContact OE1-NE2 2.89Å; E263-H304 PolarHBondContact OE1-NE2 3.07Å; E263-H304 IonicContact OE2-CE1 3.35Å; E263-H304 PolarHBondContact OE2-CE1 2.87Å; E263-H304 IonicContact OE2-ND1 3.17Å; E263-H304 IonicContact OE2-NE2 2.65Å
264	P	97.9	Very high	94.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	16%	0.159	C	C	.	.			trans	-75	175.2	161	35	-32.3	0	0	0	109.6	P218 T266 I269 T281 F283 L301 S302	P218-P264 WeakPolarHBondContact CD-O 3.27Å; P218-P264 VanDerWaalsContact CG-O 3.24Å; P218-P264 WeakPolarHBondContact CG-O 3.39Å; P264-T266 PolarHBondContact O-N 3.36Å; P264-I269 HydrophobicContact CG-CG2 3.9Å; P264-T281 HydrophobicContact CB-CG2 3.86Å; P264-T281 HydrophobicContact CG-CG2 4.03Å; P264-F283 HydrophobicContact CB-CE2 3.95Å; P264-L301 HydrophobicContact CG-CD1 4.46Å; P264-S302 VanDerWaalsContact CD-O 3.31Å; P264-S302 WeakPolarHBondContact CD-O 3.39Å
265	V	96.7	Very high	93.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	18%	0.179	C	C	.	.			trans	-53.7	130.8	159.1	-179.8	0	0	0	0	108	P218 P220 P232 A235 L240 Y267 G268	P218-V265 WeakPolarHBondContact O-CA 3.47Å; P220-V265 HydrophobicContact CB-CG1 4.31Å; P220-V265 HydrophobicContact CB-CG2 4.43Å; P232-V265 HydrophobicContact CB-CB 4.22Å; A235-V265 HydrophobicContact CB-CG2 3.65Å; L240-V265 HydrophobicContact CD1-CG2 3.93Å; V265-Y267 VanDerWaalsContact C-N 3.28Å; V265-Y267 HydrophobicContact CG1-CD1 3.77Å; V265-Y267 HydrophobicContact CG1-CE1 3.28Å; V265-Y267 HydrophobicContact CG1-CE2 4.27Å; V265-Y267 HydrophobicContact CG1-CG 4.43Å; V265-Y267 PolarHBondContact O-N 3.43Å; V265-G268 WeakPolarHBondContact O-CA 3.04Å; V265-G268 PolarHBondContact O-N 3.02Å
266	T	92.6	Very high	93.2	Very high	35 Å²	35	36.1 Å²	36.1	22%	0.215	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-50.3	-42.8	-164.6	-46.2	0	0	0	0	113.6	E217 P264 G268 I269 H304	E217-T266 WeakPolarHBondContact CB-OG1 3.36Å; E217-T266 HydrophobicContact CG-CG2 4.37Å; E217-T266 WeakPolarHBondContact OE1-CG2 3.17Å; P264-T266 PolarHBondContact O-N 3.36Å; T266-G268 PolarHBondContact O-N 2.93Å; T266-I269 WeakPolarHBondContact O-CG1 3.41Å; T266-H304 HydrophobicContact CG2-CB 4.3Å
267	Y	93.4	Very high	92.6	Very high	91 Å²	91	30.4 Å²	30.4	36%	0.357	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-79.6	-1.9	-179.7	59.5	-95.2	0	0	0	114.5	P220 G230 P232 V265 I269 F270	P220-Y267 WeakPolarHBondContact CB-OH 3.46Å; G230-Y267 PolarHBondContact O-OH 2.9Å; P232-Y267 HydrophobicContact CB-CD2 3.94Å; P232-Y267 HydrophobicContact CB-CE2 3.64Å; P232-Y267 HydrophobicContact CG-CD2 3.96Å; P232-Y267 HydrophobicContact CG-CE2 3.8Å; V265-Y267 VanDerWaalsContact C-N 3.28Å; V265-Y267 HydrophobicContact CG1-CD1 3.77Å; V265-Y267 HydrophobicContact CG1-CE1 3.28Å; V265-Y267 HydrophobicContact CG1-CE2 4.27Å; V265-Y267 HydrophobicContact CG1-CG 4.43Å; V265-Y267 PolarHBondContact O-N 3.43Å; Y267-I269 PolarHBondContact O-N 2.91Å; Y267-F270 PolarHBondContact O-N 3.02Å
268	G	94.6	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.8	-26.7	179.6	0	0	0	0	0	114	V265 T266 F270 T271 G280	V265-G268 WeakPolarHBondContact O-CA 3.04Å; V265-G268 PolarHBondContact O-N 3.02Å; T266-G268 PolarHBondContact O-N 2.93Å; G268-F270 VanDerWaalsContact C-N 3.32Å; G268-F270 PolarHBondContact O-N 3.35Å; G268-T271 PolarHBondContact O-OG1 2.88Å; G268-G280 CarbonylContact O-C 3.59Å; G268-G280 VanDerWaalsContact O-CA 3.23Å; G268-G280 WeakPolarHBondContact O-CA 2.98Å
269	I	94.8	Very high	92.1	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-75.1	-17.6	179.4	50.5	77.2	0	0	0	114	P264 T266 Y267 T271 T281 H304 V335 N338 V339	P264-I269 HydrophobicContact CG-CG2 3.9Å; T266-I269 WeakPolarHBondContact O-CG1 3.41Å; Y267-I269 PolarHBondContact O-N 2.91Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.81Å; I269-T281 HydrophobicContact CG2-CG2 4.36Å; I269-H304 WeakPolarHBondContact CD1-O 3.38Å; I269-V335 HydrophobicContact CB-CG1 4.34Å; I269-V335 HydrophobicContact CD1-CB 4.2Å; I269-V335 HydrophobicContact CD1-CG1 3.64Å; I269-V335 HydrophobicContact CD1-CG2 3.51Å; I269-V335 HydrophobicContact CG1-CG1 4.33Å; I269-N338 VanDerWaalsContact O-CB 3.3Å; I269-N338 WeakPolarHBondContact O-CB 3.18Å; I269-N338 PolarHBondContact O-ND2 3.04Å; I269-V339 HydrophobicContact CB-CG2 4.18Å; I269-V339 HydrophobicContact CG2-CG2 3.85Å
270	F	93.8	Very high	91.9	Very high	46 Å²	46	35.2 Å²	35.2	20%	0.202	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-77.4	-13.2	178	-66.7	-82	0	0	0	113.3	Y267 G268 Y305 L331 V335	Y267-F270 PolarHBondContact O-N 3.02Å; G268-F270 VanDerWaalsContact C-N 3.32Å; G268-F270 PolarHBondContact O-N 3.35Å; F270-Y305 HydrophobicContact CE1-CD2 4.33Å; F270-Y305 HydrophobicContact CE1-CE2 4.24Å; F270-L331 HydrophobicContact CD1-CD2 4.21Å; F270-V335 HydrophobicContact CD1-CG2 3.43Å; F270-V335 VanDerWaalsContact CD1-CG2 3.43Å; F270-V335 HydrophobicContact CE1-CG2 3.6Å; F270-V335 HydrophobicContact CG-CG2 4.05Å; F270-V335 HydrophobicContact CZ-CG2 4.33Å
271	T	91.8	Very high	91.8	Very high	40 Å²	40	35.4 Å²	35.4	25%	0.245	19%	0.19	C	C	.	.	S	Bend	trans	-119.1	145.9	-179.6	62.2	0	0	0	0	110.8	G268 I269 L279 G280 N338	G268-T271 PolarHBondContact O-OG1 2.88Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.81Å; T271-L279 HydrophobicContact CG2-CD2 4.48Å; T271-G280 VanDerWaalsContact O-CA 3.28Å; T271-G280 WeakPolarHBondContact O-CA 3.13Å; T271-G280 PolarHBondContact OG1-N 3.37Å; T271-N338 VanDerWaalsContact C-ND2 3.33Å; T271-N338 PolarHBondContact O-ND2 2.97Å
272	P	85.8	Confident	91.6	Very high	56 Å²	56	35.5 Å²	35.5	36%	0.364	19%	0.191	S	C	.	.			trans	-70.8	147.9	-178.2	28.3	-33.9	0	0	0	111.3	I274 L279 G280 N338	P272-I274 HydrophobicContact CB-CG2 4.4Å; P272-I274 HydrophobicContact CG-CG2 4.05Å; P272-I274 PolarHBondContact O-N 2.81Å; P272-I274 VanDerWaalsContact O-N 3.14Å; P272-L279 CarbonylContact O-C 3.59Å; P272-L279 WeakPolarHBondContact O-CB 3.19Å; P272-G280 PolarHBondContact O-N 2.84Å; P272-N338 WeakPolarHBondContact CA-OD1 3.22Å
273	L	82	Confident	91.5	Very high	47 Å²	47	35.5 Å²	35.5	25%	0.246	19%	0.192	C	C	.	.			trans	-67	110.7	166.4	-173.7	70.5	0	0	0	109	T345	L273-T345 HydrophobicContact CD2-CG2 3.93Å
274	I	84	Confident	91.3	Very high	62 Å²	62	41.4 Å²	41.4	32%	0.318	21%	0.214	S	C	.	.			trans	-110.2	158.6	-179.7	60.7	175.5	0	0	0	111.7	P272 S276 G277 L279	P272-I274 HydrophobicContact CB-CG2 4.4Å; P272-I274 HydrophobicContact CG-CG2 4.05Å; P272-I274 PolarHBondContact O-N 2.81Å; P272-I274 VanDerWaalsContact O-N 3.14Å; I274-S276 WeakPolarHBondContact CD1-OG 3.31Å; I274-S276 VanDerWaalsContact CG1-OG 3.28Å; I274-S276 WeakPolarHBondContact CG1-OG 3.37Å; I274-S276 PolarHBondContact O-N 3.48Å; I274-S276 VanDerWaalsContact O-N 3.17Å; I274-G277 PolarHBondContact O-N 3.42Å; I274-L279 HydrophobicContact CD1-CB 4.03Å; I274-L279 HydrophobicContact CD1-CD1 3.88Å; I274-L279 HydrophobicContact CD1-CG 3.89Å; I274-L279 HydrophobicContact CG1-CB 4.04Å; I274-L279 HydrophobicContact CG1-CG 4.45Å
275	T	80.4	Confident	91.2	Very high	137 Å²	137	44.6 Å²	44.6	84%	0.84	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.4	-175.8	50.5	0	0	0	0	113.5	G277 R284	T275-G277 PolarHBondContact O-N 2.94Å; T275-R284 PolarHBondContact O-NH2 2.96Å
276	S	84.3	Confident	91.3	Very high	61 Å²	61	44.4 Å²	44.4	43%	0.427	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.8	178.2	65.4	0	0	0	0	112.5	I274 W278	I274-S276 WeakPolarHBondContact CD1-OG 3.31Å; I274-S276 VanDerWaalsContact CG1-OG 3.28Å; I274-S276 WeakPolarHBondContact CG1-OG 3.37Å; I274-S276 PolarHBondContact O-N 3.48Å; I274-S276 VanDerWaalsContact O-N 3.17Å; S276-W278 VanDerWaalsContact C-CD1 3.41Å; S276-W278 VanDerWaalsContact C-N 3.34Å; S276-W278 PolarHBondContact O-NE1 3.12Å; S276-W278 VanDerWaalsContact OG-CD1 3.28Å
277	G	84.5	Confident	91.6	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	21%	0.214	C	C	.	.	S	Bend	trans	79.5	8.8	174.2	0	0	0	0	0	115.6	G233 Y234 I274 T275	G233-G277 CarbonylContact C-O 3.5Å; G233-G277 WeakPolarHBondContact CA-O 3.31Å; Y234-G277 PolarHBondContact N-O 2.96Å; I274-G277 PolarHBondContact O-N 3.42Å; T275-G277 PolarHBondContact O-N 2.94Å
278	W	89.8	Confident	91.8	Very high	96 Å²	96	38.8 Å²	38.8	36%	0.364	20%	0.201	S	C	.	.	S	Bend	trans	-84.4	-34.8	179.2	-54.7	75.3	0	0	0	111.7	L228 F231 G233 Y234 S276	L228-W278 HydrophobicContact CB-CE3 4.48Å; L228-W278 HydrophobicContact CB-CZ3 3.7Å; L228-W278 HydrophobicContact CD1-CH2 3.53Å; L228-W278 HydrophobicContact CD1-CZ3 3.5Å; L228-W278 VanDerWaalsContact CD1-CZ3 3.5Å; L228-W278 HydrophobicContact CD2-CE3 4.16Å; L228-W278 HydrophobicContact CD2-CH2 3.65Å; L228-W278 HydrophobicContact CD2-CZ3 3.15Å; L228-W278 HydrophobicContact CG-CH2 4.03Å; L228-W278 HydrophobicContact CG-CZ3 3.53Å; F231-W278 HydrophobicContact CB-CB 4.32Å; F231-W278 VanDerWaalsContact CB-O 3.29Å; F231-W278 WeakPolarHBondContact CB-O 3.23Å; F231-W278 AromaticContact CD2-CE3 3.89Å; F231-W278 HydrophobicContact CD2-CE3 3.89Å; F231-W278 HydrophobicContact CD2-CZ3 4.48Å; F231-W278 HydrophobicContact CE2-CE3 4.42Å; F231-W278 HydrophobicContact CG-CB 4.45Å; F231-W278 HydrophobicContact CG-CE3 4.42Å; G233-W278 VanDerWaalsContact CA-O 3.24Å; G233-W278 WeakPolarHBondContact CA-O 3.13Å; G233-W278 PolarHBondContact N-O 3.12Å; Y234-W278 HydrophobicContact CD2-CE3 4.37Å; Y234-W278 HydrophobicContact CD2-CZ3 4.11Å; Y234-W278 PolarHBondContact N-O 3.47Å; S276-W278 VanDerWaalsContact C-CD1 3.41Å; S276-W278 VanDerWaalsContact C-N 3.34Å; S276-W278 PolarHBondContact O-NE1 3.12Å; S276-W278 VanDerWaalsContact OG-CD1 3.28Å
279	L	93.4	Very high	91.9	Very high	50 Å²	50	40 Å²	40	26%	0.262	21%	0.211	S	C	.	.	S	Bend	trans	-104.4	169	-179.6	-56.7	-176.3	0	0	0	111.9	F231 T271 P272 I274	F231-L279 HydrophobicContact CD1-CD2 4.09Å; T271-L279 HydrophobicContact CG2-CD2 4.48Å; P272-L279 CarbonylContact O-C 3.59Å; P272-L279 WeakPolarHBondContact O-CB 3.19Å; I274-L279 HydrophobicContact CD1-CB 4.03Å; I274-L279 HydrophobicContact CD1-CD1 3.88Å; I274-L279 HydrophobicContact CD1-CG 3.89Å; I274-L279 HydrophobicContact CG1-CB 4.04Å; I274-L279 HydrophobicContact CG1-CG 4.45Å
280	G	95.4	Very high	91.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-161.3	-174.9	0	0	0	0	0	112.9	P232 G233 G268 T271 P272 G282	P232-G280 CarbonylContact C-O 3.48Å; G233-G280 WeakPolarHBondContact CA-O 3.5Å; G233-G280 PolarHBondContact N-O 2.89Å; G233-G280 VanDerWaalsContact N-O 3.14Å; G268-G280 CarbonylContact O-C 3.59Å; G268-G280 VanDerWaalsContact O-CA 3.23Å; G268-G280 WeakPolarHBondContact O-CA 2.98Å; T271-G280 VanDerWaalsContact O-CA 3.28Å; T271-G280 WeakPolarHBondContact O-CA 3.13Å; T271-G280 PolarHBondContact OG1-N 3.37Å; P272-G280 PolarHBondContact O-N 2.84Å; G280-G282 VanDerWaalsContact C-N 3.26Å; G280-G282 PolarHBondContact O-N 2.86Å
281	T	96.3	Very high	92	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.9	179.7	63.2	0	0	0	0	113.7	P264 I269 F283 L301 A342	P264-T281 HydrophobicContact CB-CG2 3.86Å; P264-T281 HydrophobicContact CG-CG2 4.03Å; I269-T281 HydrophobicContact CG2-CG2 4.36Å; T281-F283 PolarHBondContact O-N 3.01Å; T281-F283 VanDerWaalsContact O-N 3.17Å; T281-F283 PolarHBondContact OG1-N 2.84Å; T281-L301 HydrophobicContact CG2-CD1 4.38Å; T281-L301 HydrophobicContact CG2-CD2 4.33Å; T281-A342 HydrophobicContact CG2-CB 4.14Å
282	G	95.2	Very high	92.2	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.021	26%	0.255	C	S	.	.			trans	77	-12.8	-174.5	0	0	0	0	0	114.9	G233 G280	G233-G282 WeakPolarHBondContact O-CA 3.38Å; G280-G282 VanDerWaalsContact C-N 3.26Å; G280-G282 PolarHBondContact O-N 2.86Å
283	F	95.9	Very high	92.6	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.28	C	S	.	.			trans	-78.1	127.4	-179.3	-53.9	-45	0	0	0	111.4	G236 L240 L241 Y244 Y262 P264 T281 L301 T346	G236-F283 VanDerWaalsContact O-CE1 3.31Å; G236-F283 WeakPolarHBondContact O-CE1 3.33Å; L240-F283 HydrophobicContact CB-CE1 4.08Å; L240-F283 HydrophobicContact CB-CZ 4.19Å; L240-F283 HydrophobicContact CD1-CZ 4.31Å; L241-F283 HydrophobicContact CB-CD1 3.96Å; L241-F283 HydrophobicContact CB-CE1 4.04Å; L241-F283 HydrophobicContact CD1-CD1 4.04Å; L241-F283 HydrophobicContact CG-CD1 4.41Å; Y244-F283 HydrophobicContact CD2-CE1 4.38Å; Y244-F283 HydrophobicContact CD2-CZ 4.21Å; Y244-F283 HydrophobicContact CE2-CE1 4.46Å; Y244-F283 AromaticContact CE2-CZ 3.91Å; Y244-F283 HydrophobicContact CE2-CZ 3.91Å; Y262-F283 AromaticContact CD2-CD2 3.86Å; Y262-F283 HydrophobicContact CD2-CD2 3.86Å; Y262-F283 AromaticContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CE2 3.73Å; Y262-F283 HydrophobicContact CD2-CZ 4.35Å; Y262-F283 AromaticContact CE2-CD2 3.65Å; Y262-F283 HydrophobicContact CE2-CD2 3.65Å; Y262-F283 HydrophobicContact CE2-CE2 4.01Å; Y262-F283 HydrophobicContact CE2-CG 4.29Å; P264-F283 HydrophobicContact CB-CE2 3.95Å; T281-F283 PolarHBondContact O-N 3.01Å; T281-F283 VanDerWaalsContact O-N 3.17Å; T281-F283 PolarHBondContact OG1-N 2.84Å; F283-L301 HydrophobicContact CD2-CD1 4.46Å; F283-T346 HydrophobicContact CB-CG2 3.92Å; F283-T346 WeakPolarHBondContact O-CG2 3.2Å
284	R	94.2	Very high	93.3	Very high	125 Å²	125	57.8 Å²	57.8	47%	0.472	29%	0.286	S	S	.	.	S	Bend	trans	-107.3	-2.3	173.1	-65.9	-164.6	176.3	-164.2	-0.3	113.7	R237 T275	R237-R284 VanDerWaalsContact NH2-NE 3.12Å; T275-R284 PolarHBondContact O-NH2 2.96Å
285	R	96.4	Very high	94	Very high	70 Å²	70	55.2 Å²	55.2	26%	0.264	27%	0.274	S	S	.	.	S	Bend	trans	-159.4	160	175.3	59.3	178.4	174	78.2	0.7	107.4	L241 D245 A289	L241-R285 HydrophobicContact CD2-CG 4.48Å; D245-R285 VanDerWaalsContact CG-NH1 3.29Å; D245-R285 IonicContact OD1-CZ 2.7Å; D245-R285 IonicContact OD1-NH1 3.65Å; D245-R285 PolarHBondContact OD1-NH1 2.9Å; D245-R285 IonicContact OD1-NH2 2.98Å; D245-R285 IonicContact OD2-CZ 2.86Å; D245-R285 VanDerWaalsContact OD2-CZ 3.29Å; D245-R285 IonicContact OD2-NH1 3.29Å; D245-R285 PolarHBondContact OD2-NH1 2.86Å; D245-R285 VanDerWaalsContact OD2-NH1 3.11Å; D245-R285 IonicContact OD2-NH2 3.7Å; D245-R285 PolarHBondContact OD2-NH2 2.91Å; R285-A289 HydrophobicContact CB-CB 4.09Å; R285-A289 HydrophobicContact CG-CB 4.43Å
286	V	98.2	Very high	94.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.			trans	-66.8	154	168.9	-54	0	0	0	0	110.9	Y262 A289 A295 P296	Y262-V286 HydrophobicContact CE1-CB 4.29Å; Y262-V286 HydrophobicContact CE1-CG1 4.16Å; V286-A289 HydrophobicContact CG2-CB 3.8Å; V286-A289 VanDerWaalsContact O-CB 3.29Å; V286-A289 WeakPolarHBondContact O-CB 3.3Å; V286-A289 PolarHBondContact O-N 3.26Å; V286-A295 HydrophobicContact CG2-CB 3.7Å; V286-P296 HydrophobicContact CG2-CB 4.5Å; V286-P296 HydrophobicContact CG2-CG 3.96Å
287	P	98.4	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	138.4	169.8	-28.6	37.8	0	0	0	112.7	L241 Y244 D245 V248 Y262 A289	L241-P287 HydrophobicContact CD1-CG 4.26Å; Y244-P287 HydrophobicContact CD2-CG 4.04Å; Y244-P287 HydrophobicContact CG-CG 4.31Å; D245-P287 WeakPolarHBondContact OD1-CA 3.24Å; V248-P287 HydrophobicContact CG2-CB 3.78Å; Y262-P287 HydrophobicContact CD1-CG 4.18Å; Y262-P287 HydrophobicContact CD2-CG 3.97Å; Y262-P287 HydrophobicContact CG-CG 3.73Å; P287-A289 VanDerWaalsContact C-N 3.28Å; P287-A289 PolarHBondContact O-N 3.04Å
288	G	97.8	Very high	96	Very high	8 Å²	8	51.3 Å²	51.3	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-11.1	-178.4	0	0	0	0	0	115.6	D245 N290 R291 D292	D245-G288 PolarHBondContact OD1-N 3.16Å; G288-N290 PolarHBondContact O-N 3.5Å; G288-N290 VanDerWaalsContact O-N 3.12Å; G288-N290 PolarHBondContact O-OD1 3.31Å; G288-R291 PolarHBondContact O-N 3.11Å; G288-D292 PolarHBondContact O-N 2.94Å
289	A	97.5	Very high	96.4	Very high	25 Å²	25	46.8 Å²	46.8	21%	0.207	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.8	-178.7	0	0	0	0	0	114.8	R285 V286 P287 R291 D292 A295	R285-A289 HydrophobicContact CB-CB 4.09Å; R285-A289 HydrophobicContact CG-CB 4.43Å; V286-A289 HydrophobicContact CG2-CB 3.8Å; V286-A289 VanDerWaalsContact O-CB 3.29Å; V286-A289 WeakPolarHBondContact O-CB 3.3Å; V286-A289 PolarHBondContact O-N 3.26Å; P287-A289 VanDerWaalsContact C-N 3.28Å; P287-A289 PolarHBondContact O-N 3.04Å; A289-R291 PolarHBondContact O-N 3.12Å; A289-D292 WeakPolarHBondContact CA-O 3.27Å; A289-A295 HydrophobicContact CB-CB 4.08Å
290	N	94.9	Very high	96.7	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.3	169.2	56.9	-7.8	0	0	0	113.3	D245 G288	D245-N290 PolarHBondContact OD2-ND2 3.27Å; G288-N290 PolarHBondContact O-N 3.5Å; G288-N290 VanDerWaalsContact O-N 3.12Å; G288-N290 PolarHBondContact O-OD1 3.31Å
291	R	95.1	Very high	96.9	Very high	167 Å²	167	44.4 Å²	44.4	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-32.7	-177.5	-64	-177.4	-176.4	-152.1	19.7	113.3	E249 G288 A289	E249-R291 IonicContact OE1-CZ 3.11Å; E249-R291 IonicContact OE1-NH1 2.61Å; E249-R291 PolarHBondContact OE1-NH1 2.87Å; E249-R291 IonicContact OE1-NH2 3.94Å; E249-R291 IonicContact OE2-CZ 2.69Å; E249-R291 IonicContact OE2-NE 2.95Å; E249-R291 IonicContact OE2-NH1 2.69Å; E249-R291 PolarHBondContact OE2-NH1 2.84Å; E249-R291 IonicContact OE2-NH2 3.43Å; E249-R291 PolarHBondContact OE2-NH2 3.05Å; G288-R291 PolarHBondContact O-N 3.11Å; A289-R291 PolarHBondContact O-N 3.12Å
292	D	96.3	Very high	97	Very high	60 Å²	60	44.2 Å²	44.2	32%	0.321	21%	0.214	S	C	.	.			trans	-123.4	107.1	178.7	-178.2	-0	0	0	0	110	G288 A289 S294 A295	G288-D292 PolarHBondContact O-N 2.94Å; A289-D292 WeakPolarHBondContact CA-O 3.27Å; D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 PolarHBondContact O-N 3.41Å; D292-S294 VanDerWaalsContact O-N 3.14Å; D292-S294 WeakPolarHBondContact OD1-CA 3.36Å; D292-S294 WeakPolarHBondContact OD1-CB 3.3Å; D292-S294 PolarHBondContact OD1-N 2.94Å; D292-S294 PolarHBondContact OD1-OG 2.93Å; D292-S294 PolarHBondContact OD2-OG 3.35Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; D292-A295 HydrophobicContact CB-CB 4.45Å; D292-A295 WeakPolarHBondContact O-CB 3.4Å; D292-A295 PolarHBondContact O-N 3.26Å
293	K	95.3	Very high	97.1	Very high	204 Å²	204	44.4 Å²	44.4	89%	0.887	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.4	178	-67.7	-174.9	179.4	-179.6	0	113.2	A295 P296	K293-A295 VanDerWaalsContact C-N 3.33Å; K293-P296 WeakPolarHBondContact O-CD 3.42Å
294	S	96	Very high	97.2	Very high	51 Å²	51	44.6 Å²	44.6	36%	0.357	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.8	174.3	77.3	0	0	0	0	113.3	D292 P296 S297	D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 PolarHBondContact O-N 3.41Å; D292-S294 VanDerWaalsContact O-N 3.14Å; D292-S294 WeakPolarHBondContact OD1-CA 3.36Å; D292-S294 WeakPolarHBondContact OD1-CB 3.3Å; D292-S294 PolarHBondContact OD1-N 2.94Å; D292-S294 PolarHBondContact OD1-OG 2.93Å; D292-S294 PolarHBondContact OD2-OG 3.35Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; S294-P296 VanDerWaalsContact C-N 3.26Å; S294-P296 VanDerWaalsContact O-N 3.1Å; S294-S297 PolarHBondContact O-N 3.32Å; S294-S297 PolarHBondContact O-OG 2.81Å
295	A	97.7	Very high	97.3	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-48.6	-39	-179.9	0	0	0	0	0	114.3	V286 A289 D292 K293 S297 K298 S299	V286-A295 HydrophobicContact CG2-CB 3.7Å; A289-A295 HydrophobicContact CB-CB 4.08Å; D292-A295 HydrophobicContact CB-CB 4.45Å; D292-A295 WeakPolarHBondContact O-CB 3.4Å; D292-A295 PolarHBondContact O-N 3.26Å; K293-A295 VanDerWaalsContact C-N 3.33Å; A295-S297 PolarHBondContact O-N 3.41Å; A295-S297 VanDerWaalsContact O-N 3.15Å; A295-K298 CarbonylContact O-C 3.53Å; A295-K298 PolarHBondContact O-N 2.9Å; A295-S299 WeakPolarHBondContact O-CB 3.09Å; A295-S299 PolarHBondContact O-N 3.44Å; A295-S299 PolarHBondContact O-OG 3.18Å; A295-S299 VanDerWaalsContact O-OG 3.1Å
296	P	97.6	Very high	97.1	Very high	37 Å²	37	37.7 Å²	37.7	24%	0.24	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.9	-33.5	175.1	-29.4	37.3	0	0	0	114.7	L30 V286 K293 S294 K298 G348	L30-P296 WeakPolarHBondContact CD1-O 3.29Å; V286-P296 HydrophobicContact CG2-CB 4.5Å; V286-P296 HydrophobicContact CG2-CG 3.96Å; K293-P296 WeakPolarHBondContact O-CD 3.42Å; S294-P296 VanDerWaalsContact C-N 3.26Å; S294-P296 VanDerWaalsContact O-N 3.1Å; P296-K298 PolarHBondContact O-N 2.99Å; P296-G348 WeakPolarHBondContact O-CA 3.23Å
297	S	97.2	Very high	96.9	Very high	41 Å²	41	37.8 Å²	37.8	29%	0.287	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-72.3	-0	178.4	69.6	0	0	0	0	114	L30 S294 A295	L30-S297 WeakPolarHBondContact CB-O 3.32Å; L30-S297 PolarHBondContact N-O 3.27Å; L30-S297 WeakPolarHBondContact O-CB 3.46Å; S294-S297 PolarHBondContact O-N 3.32Å; S294-S297 PolarHBondContact O-OG 2.81Å; A295-S297 PolarHBondContact O-N 3.41Å; A295-S297 VanDerWaalsContact O-N 3.15Å
298	K	97.6	Very high	96.4	Very high	43 Å²	43	45.2 Å²	45.2	19%	0.187	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-139.8	23.3	-176.4	-51.6	173.9	-168.2	165.3	0	112.8	K256 L259 I260 A295 P296	K256-K298 VanDerWaalsContact O-CD 3.3Å; K256-K298 WeakPolarHBondContact O-CD 3.28Å; K256-K298 WeakPolarHBondContact O-CE 3.23Å; K256-K298 PolarHBondContact O-NZ 3.19Å; L259-K298 CarbonylContact C-O 3.46Å; L259-K298 WeakPolarHBondContact CA-O 3.42Å; L259-K298 HydrophobicContact CD2-CB 4.41Å; I260-K298 PolarHBondContact N-O 3.1Å; A295-K298 CarbonylContact O-C 3.53Å; A295-K298 PolarHBondContact O-N 2.9Å; P296-K298 PolarHBondContact O-N 2.99Å
299	S	98.7	Very high	96	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.2	-176.9	-69.7	0	0	0	0	110.9	L30 I260 A295 G348 G349	L30-S299 WeakPolarHBondContact CD1-O 3.24Å; I260-S299 CarbonylContact O-C 3.54Å; I260-S299 WeakPolarHBondContact O-CA 3.48Å; A295-S299 WeakPolarHBondContact O-CB 3.09Å; A295-S299 PolarHBondContact O-N 3.44Å; A295-S299 PolarHBondContact O-OG 3.18Å; A295-S299 VanDerWaalsContact O-OG 3.1Å; S299-G348 CarbonylContact O-C 3.58Å; S299-G348 VanDerWaalsContact O-CA 3.29Å; S299-G348 WeakPolarHBondContact O-CA 3.43Å; S299-G349 PolarHBondContact O-N 3.17Å
300	V	98.9	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.3	-175.3	-177.7	0	0	0	0	108.1	L30 F36 L259 I260 F261 Y262 S302 G349 F351	L30-V300 HydrophobicContact CD1-CG2 4.02Å; L30-V300 HydrophobicContact CD2-CG2 4.4Å; F36-V300 HydrophobicContact CE1-CG1 4.48Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 3.99Å; F36-V300 HydrophobicContact CZ-CG2 4.04Å; L259-V300 HydrophobicContact CB-CG2 4.14Å; L259-V300 HydrophobicContact CD1-CG2 3.9Å; L259-V300 HydrophobicContact CG-CG2 4.47Å; I260-V300 PolarHBondContact O-N 2.93Å; F261-V300 WeakPolarHBondContact CA-O 3.39Å; F261-V300 HydrophobicContact CD1-CB 3.91Å; F261-V300 HydrophobicContact CD1-CG1 3.73Å; F261-V300 HydrophobicContact CD2-CB 4.37Å; F261-V300 HydrophobicContact CE1-CB 3.99Å; F261-V300 HydrophobicContact CE1-CG1 3.59Å; F261-V300 HydrophobicContact CE1-CG2 4.34Å; F261-V300 HydrophobicContact CE2-CB 4.43Å; F261-V300 HydrophobicContact CE2-CG2 4.21Å; F261-V300 HydrophobicContact CG-CB 4.1Å; F261-V300 HydrophobicContact CG-CG1 4.42Å; F261-V300 HydrophobicContact CZ-CB 4.24Å; F261-V300 HydrophobicContact CZ-CG1 4.17Å; F261-V300 HydrophobicContact CZ-CG2 4.11Å; Y262-V300 WeakPolarHBondContact CD1-O 3.47Å; Y262-V300 VanDerWaalsContact CE1-O 3.24Å; Y262-V300 WeakPolarHBondContact CE1-O 3.33Å; Y262-V300 PolarHBondContact N-O 3Å; V300-S302 PolarHBondContact O-N 3.25Å; V300-G349 WeakPolarHBondContact CA-O 3.47Å; V300-F351 HydrophobicContact CG1-CB 3.61Å
301	L	98.7	Very high	95.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	104	167.2	179.1	60.5	0	0	0	107.6	Y262 P264 T281 F283 V339 A342 T343 G349 R350 F351	Y262-L301 HydrophobicContact CD2-CD1 4.31Å; Y262-L301 HydrophobicContact CE2-CB 4.43Å; Y262-L301 HydrophobicContact CE2-CD1 3.86Å; P264-L301 HydrophobicContact CG-CD1 4.46Å; T281-L301 HydrophobicContact CG2-CD1 4.38Å; T281-L301 HydrophobicContact CG2-CD2 4.33Å; F283-L301 HydrophobicContact CD2-CD1 4.46Å; L301-V339 HydrophobicContact CD2-CG1 3.99Å; L301-A342 HydrophobicContact CD2-CB 3.91Å; L301-T343 HydrophobicContact CB-CG2 3.83Å; L301-T343 HydrophobicContact CD2-CG2 3.93Å; L301-G349 PolarHBondContact N-O 3.23Å; L301-R350 WeakPolarHBondContact O-CA 3.29Å; L301-F351 PolarHBondContact O-N 3.47Å
302	S	98.7	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.7	172.6	-174.6	0	0	0	0	107	D213 Y262 E263 P264 V300 T353	D213-S302 PolarHBondContact OD1-OG 3.24Å; D213-S302 PolarHBondContact OD2-OG 2.79Å; Y262-S302 PolarHBondContact O-N 3Å; E263-S302 WeakPolarHBondContact CA-O 3.48Å; E263-S302 VanDerWaalsContact CG-CB 3.49Å; E263-S302 WeakPolarHBondContact CG-OG 3.23Å; P264-S302 VanDerWaalsContact CD-O 3.31Å; P264-S302 WeakPolarHBondContact CD-O 3.39Å; V300-S302 PolarHBondContact O-N 3.25Å; S302-T353 WeakPolarHBondContact OG-CB 3.39Å; S302-T353 WeakPolarHBondContact OG-CG2 3.47Å; S302-T353 PolarHBondContact OG-OG1 2.94Å
303	Y	98.4	Very high	94.2	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.6	-179.1	76.1	-82	0	0	0	112.1	V335 V339 R350 F351 L352 T353 E384	Y303-V335 HydrophobicContact CD2-CG1 4.29Å; Y303-V335 HydrophobicContact CE2-CG1 4.12Å; Y303-V339 HydrophobicContact CD1-CG1 3.7Å; Y303-V339 HydrophobicContact CD1-CG2 4.03Å; Y303-V339 HydrophobicContact CD2-CG2 3.7Å; Y303-V339 HydrophobicContact CE1-CB 4.43Å; Y303-V339 HydrophobicContact CE1-CG1 3.62Å; Y303-V339 HydrophobicContact CE1-CG2 4.26Å; Y303-V339 HydrophobicContact CE2-CG2 3.92Å; Y303-V339 HydrophobicContact CG-CG1 4.27Å; Y303-V339 HydrophobicContact CG-CG2 3.74Å; Y303-R350 HydrophobicContact CE1-CB 4.28Å; Y303-F351 WeakPolarHBondContact CD1-O 3.47Å; Y303-F351 PolarHBondContact N-O 2.65Å; Y303-F351 VanDerWaalsContact N-O 3.11Å; Y303-L352 HydrophobicContact CD2-CD1 3.92Å; Y303-L352 HydrophobicContact CE1-CB 4.13Å; Y303-L352 HydrophobicContact CE2-CB 4.23Å; Y303-L352 HydrophobicContact CE2-CD1 3.54Å; Y303-L352 HydrophobicContact CE2-CG 4.44Å; Y303-L352 CarbonylContact O-C 3.47Å; Y303-L352 WeakPolarHBondContact O-CA 3.38Å; Y303-T353 PolarHBondContact N-OG1 3.4Å; Y303-T353 PolarHBondContact O-N 3.41Å; Y303-T353 PolarHBondContact O-OG1 2.83Å; Y303-E384 WeakPolarHBondContact OH-CG 2.9Å
304	H	97.4	Very high	93.8	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.4	178.5	-57.1	174.1	0	0	0	110.9	N216 E217 E263 T266 I269 Y306 T353 E354	N216-H304 PolarHBondContact OD1-CE1 2.67Å; E217-H304 WeakPolarHBondContact CG-ND1 3.19Å; E217-H304 IonicContact OE1-CE1 3.68Å; E217-H304 IonicContact OE1-ND1 3.53Å; E217-H304 PolarHBondContact OE1-ND1 2.89Å; E263-H304 IonicContact OE1-CE1 2.85Å; E263-H304 IonicContact OE1-NE2 2.89Å; E263-H304 PolarHBondContact OE1-NE2 3.07Å; E263-H304 IonicContact OE2-CE1 3.35Å; E263-H304 PolarHBondContact OE2-CE1 2.87Å; E263-H304 IonicContact OE2-ND1 3.17Å; E263-H304 IonicContact OE2-NE2 2.65Å; T266-H304 HydrophobicContact CG2-CB 4.3Å; I269-H304 WeakPolarHBondContact CD1-O 3.38Å; H304-Y306 HydrophobicContact CB-CD2 4.35Å; H304-Y306 HydrophobicContact CB-CE2 4.16Å; H304-T353 PolarHBondContact CD2-OG1 3.3Å; H304-T353 PolarHBondContact NE2-OG1 2.96Å; H304-T353 VanDerWaalsContact NE2-OG1 3.12Å; H304-E354 CarbonylContact C-O 3.47Å; H304-E354 WeakPolarHBondContact CA-O 3.11Å; H304-E354 HydrophobicContact CB-CB 4.14Å; H304-E354 VanDerWaalsContact CD2-CB 3.49Å; H304-E354 WeakPolarHBondContact CD2-CB 3.23Å; H304-E354 PolarHBondContact CD2-N 3.39Å; H304-E354 IonicContact CE1-OE1 3.18Å; H304-E354 IonicContact CE1-OE2 3.49Å; H304-E354 IonicContact ND1-OE2 3.21Å; H304-E354 WeakPolarHBondContact NE2-CG 3.31Å; H304-E354 IonicContact NE2-OE1 3.79Å
305	Y	96.3	Very high	93.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119.6	170	174.5	-96.5	0	0	0	110.8	F270 C307 L332 V335 E354 F355 E371 V375	F270-Y305 HydrophobicContact CE1-CD2 4.33Å; F270-Y305 HydrophobicContact CE1-CE2 4.24Å; Y305-C307 WeakPolarHBondContact OH-CB 3.2Å; Y305-L332 HydrophobicContact CD1-CD1 3.94Å; Y305-L332 HydrophobicContact CD2-CD1 4.23Å; Y305-L332 HydrophobicContact CE1-CB 4.22Å; Y305-L332 HydrophobicContact CE1-CD1 3.85Å; Y305-L332 HydrophobicContact CE1-CG 4.46Å; Y305-L332 HydrophobicContact CE2-CB 3.95Å; Y305-L332 HydrophobicContact CE2-CD1 4.14Å; Y305-L332 HydrophobicContact CG-CD1 4.13Å; Y305-V335 HydrophobicContact CD2-CB 4.1Å; Y305-V335 HydrophobicContact CD2-CG1 4.07Å; Y305-V335 HydrophobicContact CD2-CG2 3.97Å; Y305-V335 HydrophobicContact CE2-CG2 4.29Å; Y305-E354 PolarHBondContact N-O 2.91Å; Y305-F355 WeakPolarHBondContact O-CA 3.47Å; Y305-F355 WeakPolarHBondContact O-CB 3.44Å; Y305-E371 WeakPolarHBondContact CE1-OE1 3.03Å; Y305-E371 PolarHBondContact OH-OE1 3Å; Y305-V375 HydrophobicContact CD1-CG2 3.65Å; Y305-V375 HydrophobicContact CE1-CG2 3.51Å
306	Y	93.3	Very high	93	Very high	48 Å²	48	46.3 Å²	46.3	19%	0.188	23%	0.231	C	C	.	.			trans	-132.2	125.7	169.3	-67.2	-84.6	0	0	0	108	H304 W308 E354 L357 W389	H304-Y306 HydrophobicContact CB-CD2 4.35Å; H304-Y306 HydrophobicContact CB-CE2 4.16Å; Y306-W308 VanDerWaalsContact C-N 3.33Å; Y306-W308 PolarHBondContact O-N 3.45Å; Y306-E354 HydrophobicContact CE2-CB 4.18Å; Y306-E354 PolarHBondContact OH-OE2 3.18Å; Y306-L357 HydrophobicContact CD1-CD1 4.13Å; Y306-L357 HydrophobicContact CD1-CG 3.91Å; Y306-W389 VanDerWaalsContact OH-CB 3.3Å; Y306-W389 WeakPolarHBondContact OH-CB 3.45Å
307	C	93.1	Very high	92.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.232	C	C	.	.			trans	-71.4	94	170.4	-165.9	0	0	0	0	109.6	Y305 I309 L310 C327 E371	Y305-C307 WeakPolarHBondContact OH-CB 3.2Å; C307-I309 PolarHBondContact O-N 2.88Å; C307-L310 HydrophobicContact CB-CD1 3.82Å; C307-L310 HydrophobicContact CB-CG 3.98Å; C307-L310 WeakPolarHBondContact O-CB 3.23Å; C307-L310 PolarHBondContact O-N 2.96Å; C307-C327 HydrophobicContact CB-CB 3.83Å; C307-C327 WeakPolarHBondContact CB-SG 3.3Å; C307-C327 WeakPolarHBondContact SG-CB 3.14Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 3.45Å; C307-E371 VanDerWaalsContact CB-OE1 3.26Å; C307-E371 WeakPolarHBondContact CB-OE1 3.44Å
308	W	88.3	Confident	92.6	Very high	156 Å²	156	48.9 Å²	48.9	59%	0.591	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.7	-19.5	-179.3	56.4	-79.4	0	0	0	114.2	Y306 L310 Q311	Y306-W308 VanDerWaalsContact C-N 3.33Å; Y306-W308 PolarHBondContact O-N 3.45Å; W308-L310 PolarHBondContact O-N 3.35Å; W308-Q311 WeakPolarHBondContact O-CB 3.06Å; W308-Q311 PolarHBondContact O-N 3.03Å
309	I	89.7	Confident	92.4	Very high	32 Å²	32	47.4 Å²	47.4	16%	0.164	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.6	171.6	-59.7	176.1	0	0	0	111.7	C307 W322 K323 L326 L331	C307-I309 PolarHBondContact O-N 2.88Å; I309-W322 HydrophobicContact CG2-CZ3 4.36Å; I309-K323 HydrophobicContact CG2-CB 4.43Å; I309-K323 HydrophobicContact CG2-CD 4Å; I309-K323 HydrophobicContact CG2-CG 3.94Å; I309-L326 HydrophobicContact CD1-CB 3.59Å; I309-L326 HydrophobicContact CD1-CD1 3.83Å; I309-L326 HydrophobicContact CD1-CG 4.33Å; I309-L331 HydrophobicContact CD1-CD1 3.57Å; I309-L331 HydrophobicContact CG1-CD1 4.01Å
310	L	90	Very high	92.1	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-90.4	-7.5	-177.6	-53.9	177.5	0	0	0	113.2	C307 W308 S312 D313 M319 K323 V367 E371	C307-L310 HydrophobicContact CB-CD1 3.82Å; C307-L310 HydrophobicContact CB-CG 3.98Å; C307-L310 WeakPolarHBondContact O-CB 3.23Å; C307-L310 PolarHBondContact O-N 2.96Å; W308-L310 PolarHBondContact O-N 3.35Å; L310-S312 PolarHBondContact O-N 3.11Å; L310-S312 VanDerWaalsContact O-N 3.08Å; L310-D313 WeakPolarHBondContact CA-OD2 3.11Å; L310-D313 PolarHBondContact O-N 2.86Å; L310-M319 HydrophobicContact CD1-CE 3.71Å; L310-M319 HydrophobicContact CD2-CE 3.89Å; L310-M319 HydrophobicContact CD2-SD 4.48Å; L310-M319 HydrophobicContact CG-CE 4.47Å; L310-K323 HydrophobicContact CD2-CB 4.39Å; L310-K323 HydrophobicContact CD2-CD 4.25Å; L310-V367 HydrophobicContact CB-CG1 4.21Å; L310-V367 HydrophobicContact CD1-CG1 3.96Å; L310-V367 HydrophobicContact CD2-CG1 4.05Å; L310-V367 HydrophobicContact CG-CG1 4.28Å; L310-E371 HydrophobicContact CD1-CB 3.94Å; L310-E371 HydrophobicContact CD1-CG 3.8Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.46Å
311	Q	84.3	Confident	91.9	Very high	94 Å²	94	57.3 Å²	57.3	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	-171.8	-169.1	175	23.6	0	0	113.4	W308 L357	W308-Q311 WeakPolarHBondContact O-CB 3.06Å; W308-Q311 PolarHBondContact O-N 3.03Å; Q311-L357 HydrophobicContact CB-CD1 4.42Å
312	S	84	Confident	91.7	Very high	104 Å²	104	64.3 Å²	64.3	73%	0.727	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.7	178.3	66.7	0	0	0	0	114.2	L310	L310-S312 PolarHBondContact O-N 3.11Å; L310-S312 VanDerWaalsContact O-N 3.08Å
313	D	87.2	Confident	91.5	Very high	36 Å²	36	65.2 Å²	65.2	19%	0.193	32%	0.319	C	S	.	.	S	Bend	trans	-81.6	148.3	-179.2	-70.9	-51.3	0	0	0	111.1	L310 P315 K323 V367	L310-D313 WeakPolarHBondContact CA-OD2 3.11Å; L310-D313 PolarHBondContact O-N 2.86Å; D313-P315 WeakPolarHBondContact O-CD 3.44Å; D313-K323 IonicContact OD1-NZ 3.76Å; D313-K323 PolarHBondContact OD1-NZ 3.08Å; D313-K323 WeakPolarHBondContact OD2-CD 3.48Å; D313-K323 IonicContact OD2-NZ 2.62Å; D313-K323 PolarHBondContact OD2-NZ 3.26Å; D313-V367 HydrophobicContact CB-CG2 4.25Å
314	Y	87.7	Confident	91.2	Very high	184 Å²	184	68.8 Å²	68.8	72%	0.722	33%	0.334	S	S	*	.			trans	-69.2	124.9	165.8	-70	-76.7	0	0	0	108.5	N316 S317	Y314-N316 PolarHBondContact O-N 2.98Å; Y314-N316 VanDerWaalsContact O-N 3.11Å; Y314-S317 VanDerWaalsContact O-CB 3.28Å; Y314-S317 WeakPolarHBondContact O-CB 3.41Å; Y314-S317 PolarHBondContact O-N 3.06Å; Y314-S317 PolarHBondContact O-OG 2.87Å
315	P	85.3	Confident	91.1	Very high	65 Å²	65	71.2 Å²	71.2	42%	0.422	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.7	-171.9	-26.8	34	0	0	0	114.3	D313 V367 N368	D313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-V367 WeakPolarHBondContact O-CB 3.4Å; P315-V367 PolarHBondContact O-N 3.32Å; P315-N368 VanDerWaalsContact CB-CG 3.43Å; P315-N368 VanDerWaalsContact CB-ND2 3.26Å; P315-N368 WeakPolarHBondContact CB-ND2 3.16Å; P315-N368 VanDerWaalsContact CB-OD1 3.29Å; P315-N368 WeakPolarHBondContact CB-OD1 3.45Å; P315-N368 VanDerWaalsContact O-CB 3.29Å; P315-N368 WeakPolarHBondContact O-CB 3.07Å; P315-N368 PolarHBondContact O-N 3.36Å
316	N	90	Very high	91	Very high	110 Å²	110	74.1 Å²	74.1	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.3	178.6	66.1	-4.7	0	0	0	114.8	Y314 D361	Y314-N316 PolarHBondContact O-N 2.98Å; Y314-N316 VanDerWaalsContact O-N 3.11Å; N316-D361 VanDerWaalsContact CA-OD2 3.3Å; N316-D361 WeakPolarHBondContact CA-OD2 3.29Å; N316-D361 WeakPolarHBondContact CB-OD2 3.36Å
317	S	93.1	Very high	91	Very high	37 Å²	37	71.9 Å²	71.9	26%	0.259	36%	0.356	S	S	.	.	S	Bend	trans	-73.8	152.8	177.8	68.7	0	0	0	0	111	Y314 M319 S366 V367	Y314-S317 VanDerWaalsContact O-CB 3.28Å; Y314-S317 WeakPolarHBondContact O-CB 3.41Å; Y314-S317 PolarHBondContact O-N 3.06Å; Y314-S317 PolarHBondContact O-OG 2.87Å; S317-M319 PolarHBondContact O-N 2.75Å; S317-S366 CarbonylContact O-C 3.57Å; S317-S366 VanDerWaalsContact O-CA 3.23Å; S317-S366 WeakPolarHBondContact O-CA 3.48Å; S317-V367 PolarHBondContact O-N 3.42Å
318	T	94.3	Very high	91	Very high	95 Å²	95	73.2 Å²	73.2	58%	0.583	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-65.6	124.5	174.1	-60.5	0	0	0	0	110.2	P320 S365	T318-P320 VanDerWaalsContact O-CD 3.28Å; T318-P320 WeakPolarHBondContact O-CD 3.3Å; T318-S365 CarbonylContact C-O 3.58Å; T318-S365 VanDerWaalsContact CA-O 3.29Å; T318-S365 WeakPolarHBondContact CA-O 3.42Å
319	M	93.1	Very high	91.2	Very high	11 Å²	11	69.9 Å²	69.9	5%	0.054	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-70.1	121.1	-179.9	-167.3	-174.6	-77.8	0	0	110.3	L310 S317 F321 K323 K324 S365 V367 L370 E371	L310-M319 HydrophobicContact CD1-CE 3.71Å; L310-M319 HydrophobicContact CD2-CE 3.89Å; L310-M319 HydrophobicContact CD2-SD 4.48Å; L310-M319 HydrophobicContact CG-CE 4.47Å; S317-M319 PolarHBondContact O-N 2.75Å; M319-F321 PolarHBondContact O-N 3.33Å; M319-K323 HydrophobicContact CG-CB 4.15Å; M319-K324 HydrophobicContact CG-CB 4.33Å; M319-K324 WeakPolarHBondContact SD-CA 3.49Å; M319-K324 HydrophobicContact SD-CB 3.59Å; M319-K324 VanDerWaalsContact SD-CB 3.59Å; M319-K324 HydrophobicContact SD-CG 4.05Å; M319-S365 PolarHBondContact N-O 2.84Å; M319-V367 HydrophobicContact CB-CG2 3.78Å; M319-V367 HydrophobicContact CE-CB 4.22Å; M319-V367 HydrophobicContact CE-CG1 4.03Å; M319-V367 HydrophobicContact CE-CG2 4.32Å; M319-V367 HydrophobicContact CG-CG2 4.03Å; M319-L370 HydrophobicContact CB-CD1 3.76Å; M319-L370 HydrophobicContact CE-CB 4.12Å; M319-L370 HydrophobicContact SD-CB 4.4Å; M319-L370 HydrophobicContact SD-CD1 4.44Å; M319-E371 HydrophobicContact CE-CB 4.13Å
320	P	93.4	Very high	91.4	Very high	49 Å²	49	74.2 Å²	74.2	32%	0.318	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.3	138.4	172.6	-23.3	34.4	0	0	0	111.2	T318 W322 K323 K324	T318-P320 VanDerWaalsContact O-CD 3.28Å; T318-P320 WeakPolarHBondContact O-CD 3.3Å; P320-W322 PolarHBondContact O-N 2.89Å; P320-W322 VanDerWaalsContact O-N 3.12Å; P320-K323 HydrophobicContact CB-CG 4.41Å; P320-K323 HydrophobicContact CG-CD 4.32Å; P320-K323 HydrophobicContact CG-CG 4.47Å; P320-K323 WeakPolarHBondContact O-CB 3.26Å; P320-K323 PolarHBondContact O-N 2.97Å; P320-K324 PolarHBondContact O-N 2.66Å; P320-K324 VanDerWaalsContact O-N 3.12Å
321	F	93.3	Very high	91.6	Very high	162 Å²	162	74.9 Å²	74.9	71%	0.711	39%	0.385	S	S	*	.	H	α-helix	trans	-52.1	-40	-177.5	175.4	-102.2	0	0	0	113.7	M319 K323 K324 V325	M319-F321 PolarHBondContact O-N 3.33Å; F321-K323 VanDerWaalsContact C-N 3.35Å; F321-K323 PolarHBondContact O-N 3.09Å; F321-K324 WeakPolarHBondContact O-CB 2.99Å; F321-K324 PolarHBondContact O-N 3.48Å; F321-V325 HydrophobicContact CD1-CG2 4.22Å; F321-V325 HydrophobicContact CD2-CG2 4.39Å; F321-V325 HydrophobicContact CE1-CG2 3.72Å; F321-V325 HydrophobicContact CE2-CG2 3.91Å; F321-V325 HydrophobicContact CZ-CG2 3.54Å; F321-V325 WeakPolarHBondContact O-CG2 3.45Å; F321-V325 PolarHBondContact O-N 3.11Å
322	W	94.6	Very high	92.1	Very high	147 Å²	147	70.8 Å²	70.8	56%	0.557	37%	0.366	S	S	*	.	H	α-helix	trans	-66.9	-34	179.6	70.5	-93.3	0	0	0	112.8	I309 P320 L326	I309-W322 HydrophobicContact CG2-CZ3 4.36Å; P320-W322 PolarHBondContact O-N 2.89Å; P320-W322 VanDerWaalsContact O-N 3.12Å; W322-L326 HydrophobicContact CE3-CD1 3.61Å; W322-L326 HydrophobicContact CZ3-CD1 3.7Å; W322-L326 WeakPolarHBondContact O-CG 3.21Å; W322-L326 PolarHBondContact O-N 3.23Å; W322-L326 VanDerWaalsContact O-N 3.1Å
323	K	94.4	Very high	92.7	Very high	20 Å²	20	67.6 Å²	67.6	9%	0.087	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-45.2	174.2	-70.7	-166	172.4	-169.5	0	110.4	I309 L310 D313 M319 P320 F321 V325 L326 C327	I309-K323 HydrophobicContact CG2-CB 4.43Å; I309-K323 HydrophobicContact CG2-CD 4Å; I309-K323 HydrophobicContact CG2-CG 3.94Å; L310-K323 HydrophobicContact CD2-CB 4.39Å; L310-K323 HydrophobicContact CD2-CD 4.25Å; D313-K323 IonicContact OD1-NZ 3.76Å; D313-K323 PolarHBondContact OD1-NZ 3.08Å; D313-K323 WeakPolarHBondContact OD2-CD 3.48Å; D313-K323 IonicContact OD2-NZ 2.62Å; D313-K323 PolarHBondContact OD2-NZ 3.26Å; M319-K323 HydrophobicContact CG-CB 4.15Å; P320-K323 HydrophobicContact CB-CG 4.41Å; P320-K323 HydrophobicContact CG-CD 4.32Å; P320-K323 HydrophobicContact CG-CG 4.47Å; P320-K323 WeakPolarHBondContact O-CB 3.26Å; P320-K323 PolarHBondContact O-N 2.97Å; F321-K323 VanDerWaalsContact C-N 3.35Å; F321-K323 PolarHBondContact O-N 3.09Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.95Å; K323-L326 PolarHBondContact O-N 3.37Å; K323-L326 VanDerWaalsContact O-N 3.09Å; K323-C327 PolarHBondContact O-N 3.48Å
324	K	93.1	Very high	93.1	Very high	81 Å²	81	67.8 Å²	67.8	35%	0.352	35%	0.345	S	S	.	.	H	α-helix	trans	-53.5	-49.3	174	-170.4	-169.1	176.2	-163.9	0	111.8	M319 P320 F321 L326 C327 D328	M319-K324 HydrophobicContact CG-CB 4.33Å; M319-K324 WeakPolarHBondContact SD-CA 3.49Å; M319-K324 HydrophobicContact SD-CB 3.59Å; M319-K324 VanDerWaalsContact SD-CB 3.59Å; M319-K324 HydrophobicContact SD-CG 4.05Å; P320-K324 PolarHBondContact O-N 2.66Å; P320-K324 VanDerWaalsContact O-N 3.12Å; F321-K324 WeakPolarHBondContact O-CB 2.99Å; F321-K324 PolarHBondContact O-N 3.48Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.4Å; K324-C327 PolarHBondContact O-N 2.93Å; K324-D328 WeakPolarHBondContact CE-OD2 3.3Å; K324-D328 WeakPolarHBondContact CG-OD2 3.46Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.25Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 3.08Å
325	V	94.2	Very high	93.6	Very high	56 Å²	56	59 Å²	59	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177.7	171.7	0	0	0	0	111.5	F321 K323 S329 F330	F321-V325 HydrophobicContact CD1-CG2 4.22Å; F321-V325 HydrophobicContact CD2-CG2 4.39Å; F321-V325 HydrophobicContact CE1-CG2 3.72Å; F321-V325 HydrophobicContact CE2-CG2 3.91Å; F321-V325 HydrophobicContact CZ-CG2 3.54Å; F321-V325 WeakPolarHBondContact O-CG2 3.45Å; F321-V325 PolarHBondContact O-N 3.11Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.95Å; V325-S329 WeakPolarHBondContact O-CA 3.26Å; V325-S329 WeakPolarHBondContact O-CB 3.48Å; V325-S329 PolarHBondContact O-N 3.16Å; V325-F330 PolarHBondContact O-N 3.46Å
326	L	94.4	Very high	94.1	Very high	64 Å²	64	56.2 Å²	56.2	34%	0.335	29%	0.293	S	S	.	.	H	α-helix	trans	-68.3	-42.8	179.2	-71	176.7	0	0	0	113.1	I309 W322 K323 K324 F330 L331	I309-L326 HydrophobicContact CD1-CB 3.59Å; I309-L326 HydrophobicContact CD1-CD1 3.83Å; I309-L326 HydrophobicContact CD1-CG 4.33Å; W322-L326 HydrophobicContact CE3-CD1 3.61Å; W322-L326 HydrophobicContact CZ3-CD1 3.7Å; W322-L326 WeakPolarHBondContact O-CG 3.21Å; W322-L326 PolarHBondContact O-N 3.23Å; W322-L326 VanDerWaalsContact O-N 3.1Å; K323-L326 PolarHBondContact O-N 3.37Å; K323-L326 VanDerWaalsContact O-N 3.09Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.4Å; L326-F330 WeakPolarHBondContact O-CB 3.44Å; L326-L331 WeakPolarHBondContact O-CB 3.24Å; L326-L331 WeakPolarHBondContact O-CG 3.35Å; L326-L331 PolarHBondContact O-N 2.87Å
327	C	94.3	Very high	94.4	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-70.5	-63.1	177.1	-63	0	0	0	0	110.6	C307 K323 K324 L331 L332	C307-C327 HydrophobicContact CB-CB 3.83Å; C307-C327 WeakPolarHBondContact CB-SG 3.3Å; C307-C327 WeakPolarHBondContact SG-CB 3.14Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 3.45Å; K323-C327 PolarHBondContact O-N 3.48Å; K324-C327 PolarHBondContact O-N 2.93Å; C327-L331 PolarHBondContact O-N 3.47Å; C327-L332 WeakPolarHBondContact O-CB 3.12Å; C327-L332 PolarHBondContact O-N 2.89Å
328	D	92.8	Very high	94.6	Very high	29 Å²	29	51.8 Å²	51.8	16%	0.155	27%	0.269	C	S	.	.	I	π-helix	trans	-72.9	-39	-168.6	-53.5	4.4	0	0	0	113.1	K324 P333 A374	K324-D328 WeakPolarHBondContact CE-OD2 3.3Å; K324-D328 WeakPolarHBondContact CG-OD2 3.46Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.25Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 3.08Å; D328-P333 WeakPolarHBondContact O-CD 3.23Å; D328-P333 VanDerWaalsContact O-CG 3.3Å; D328-P333 WeakPolarHBondContact O-CG 3.24Å; D328-A374 HydrophobicContact CB-CB 4.15Å
329	S	92.3	Very high	94.8	Very high	86 Å²	86	47.2 Å²	47.2	60%	0.601	24%	0.242	S	C	*	.	I	π-helix	trans	-101.2	-12.1	-170.7	-50.8	0	0	0	0	113.6	V325	V325-S329 WeakPolarHBondContact O-CA 3.26Å; V325-S329 WeakPolarHBondContact O-CB 3.48Å; V325-S329 PolarHBondContact O-N 3.16Å
330	F	93.2	Very high	94.9	Very high	124 Å²	124	48.1 Å²	48.1	54%	0.544	25%	0.246	S	C	.	.	I	π-helix	trans	-125	-64.7	-178.5	-174.6	-97.6	0	0	0	113	V325 L326 T334	V325-F330 PolarHBondContact O-N 3.46Å; L326-F330 WeakPolarHBondContact O-CB 3.44Å; F330-T334 WeakPolarHBondContact O-CB 3.3Å; F330-T334 PolarHBondContact O-N 3.44Å; F330-T334 PolarHBondContact O-OG1 3.46Å
331	L	94.5	Very high	95	Very high	18 Å²	18	51 Å²	51	9%	0.094	25%	0.254	C	S	.	.	I	π-helix	trans	-65.2	-53.3	-173	-73.3	176.2	0	0	0	112	F270 I309 L326 C327 T334 V335	F270-L331 HydrophobicContact CD1-CD2 4.21Å; I309-L331 HydrophobicContact CD1-CD1 3.57Å; I309-L331 HydrophobicContact CG1-CD1 4.01Å; L326-L331 WeakPolarHBondContact O-CB 3.24Å; L326-L331 WeakPolarHBondContact O-CG 3.35Å; L326-L331 PolarHBondContact O-N 2.87Å; C327-L331 PolarHBondContact O-N 3.47Å; L331-T334 WeakPolarHBondContact O-CB 3.37Å; L331-T334 PolarHBondContact O-N 2.86Å; L331-V335 WeakPolarHBondContact O-CG2 3.14Å; L331-V335 PolarHBondContact O-N 3.49Å
332	L	95.9	Very high	95.2	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-52.6	-178.2	172.6	61.2	0	0	0	112.3	Y305 C327 T334 V335 T336 A374 V375 E378	Y305-L332 HydrophobicContact CD1-CD1 3.94Å; Y305-L332 HydrophobicContact CD2-CD1 4.23Å; Y305-L332 HydrophobicContact CE1-CB 4.22Å; Y305-L332 HydrophobicContact CE1-CD1 3.85Å; Y305-L332 HydrophobicContact CE1-CG 4.46Å; Y305-L332 HydrophobicContact CE2-CB 3.95Å; Y305-L332 HydrophobicContact CE2-CD1 4.14Å; Y305-L332 HydrophobicContact CG-CD1 4.13Å; C327-L332 WeakPolarHBondContact O-CB 3.12Å; C327-L332 PolarHBondContact O-N 2.89Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.02Å; L332-T336 PolarHBondContact O-N 2.89Å; L332-T336 PolarHBondContact O-OG1 3.25Å; L332-A374 HydrophobicContact CD2-CB 4.19Å; L332-A374 WeakPolarHBondContact CD2-O 3.44Å; L332-V375 HydrophobicContact CD1-CG2 4.44Å; L332-V375 HydrophobicContact CD2-CG2 4.19Å; L332-E378 HydrophobicContact CD1-CB 4.23Å; L332-E378 HydrophobicContact CD1-CG 4.08Å; L332-E378 HydrophobicContact CD2-CB 3.73Å; L332-E378 HydrophobicContact CD2-CG 4.23Å; L332-E378 HydrophobicContact CG-CB 3.95Å; L332-E378 HydrophobicContact CG-CG 3.87Å
333	P	96	Very high	95.2	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-32.6	175.3	-25.7	35.1	0	0	0	113.7	D328 S337	D328-P333 WeakPolarHBondContact O-CD 3.23Å; D328-P333 VanDerWaalsContact O-CG 3.3Å; D328-P333 WeakPolarHBondContact O-CG 3.24Å; P333-S337 VanDerWaalsContact O-CB 3.24Å; P333-S337 WeakPolarHBondContact O-CB 3.48Å; P333-S337 PolarHBondContact O-N 2.89Å
334	T	95.8	Very high	95.3	Very high	41 Å²	41	44.2 Å²	44.2	25%	0.252	23%	0.23	S	C	.	.	H	α-helix	trans	-65.9	-46.5	176.4	-66.1	0	0	0	0	111	F330 L331 L332 S337 N338	F330-T334 WeakPolarHBondContact O-CB 3.3Å; F330-T334 PolarHBondContact O-N 3.44Å; F330-T334 PolarHBondContact O-OG1 3.46Å; L331-T334 WeakPolarHBondContact O-CB 3.37Å; L331-T334 PolarHBondContact O-N 2.86Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 3.44Å; T334-S337 PolarHBondContact O-N 2.85Å; T334-N338 WeakPolarHBondContact O-CB 3.44Å; T334-N338 PolarHBondContact O-N 2.71Å; T334-N338 PolarHBondContact O-ND2 3.28Å
335	V	97.1	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-52	175.6	163.6	0	0	0	0	110.6	I269 F270 Y303 Y305 L331 L332 S337 N338 V339	I269-V335 HydrophobicContact CB-CG1 4.34Å; I269-V335 HydrophobicContact CD1-CB 4.2Å; I269-V335 HydrophobicContact CD1-CG1 3.64Å; I269-V335 HydrophobicContact CD1-CG2 3.51Å; I269-V335 HydrophobicContact CG1-CG1 4.33Å; F270-V335 HydrophobicContact CD1-CG2 3.43Å; F270-V335 VanDerWaalsContact CD1-CG2 3.43Å; F270-V335 HydrophobicContact CE1-CG2 3.6Å; F270-V335 HydrophobicContact CG-CG2 4.05Å; F270-V335 HydrophobicContact CZ-CG2 4.33Å; Y303-V335 HydrophobicContact CD2-CG1 4.29Å; Y303-V335 HydrophobicContact CE2-CG1 4.12Å; Y305-V335 HydrophobicContact CD2-CB 4.1Å; Y305-V335 HydrophobicContact CD2-CG1 4.07Å; Y305-V335 HydrophobicContact CD2-CG2 3.97Å; Y305-V335 HydrophobicContact CE2-CG2 4.29Å; L331-V335 WeakPolarHBondContact O-CG2 3.14Å; L331-V335 PolarHBondContact O-N 3.49Å; L332-V335 PolarHBondContact O-N 3.02Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 2.99Å; V335-N338 PolarHBondContact O-N 3.16Å; V335-V339 HydrophobicContact CG1-CG2 4.4Å; V335-V339 WeakPolarHBondContact O-CG2 3.38Å; V335-V339 PolarHBondContact O-N 2.94Å
336	T	96.9	Very high	95.4	Very high	6 Å²	6	42 Å²	42	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-43.9	178.7	-57.5	0	0	0	0	111.4	L332 N338 V339 I340 E378 H382	L332-T336 PolarHBondContact O-N 2.89Å; L332-T336 PolarHBondContact O-OG1 3.25Å; T336-N338 PolarHBondContact O-N 3Å; T336-V339 PolarHBondContact O-N 3.45Å; T336-I340 HydrophobicContact CG2-CD1 3.92Å; T336-I340 WeakPolarHBondContact O-CB 3.46Å; T336-I340 WeakPolarHBondContact O-CD1 3.49Å; T336-I340 VanDerWaalsContact O-CG1 3.26Å; T336-I340 WeakPolarHBondContact O-CG1 3.47Å; T336-I340 PolarHBondContact O-N 3.41Å; T336-E378 HydrophobicContact CG2-CG 4.39Å; T336-E378 WeakPolarHBondContact OG1-CG 3.35Å; T336-H382 HydrophobicContact CG2-CB 4.19Å; T336-H382 VanDerWaalsContact CG2-CD2 3.42Å; T336-H382 WeakPolarHBondContact CG2-CD2 3.27Å
337	S	96.8	Very high	95.5	Very high	43 Å²	43	40.2 Å²	40.2	30%	0.301	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-42.5	175.3	-168.1	0	0	0	0	112.6	P333 T334 V335 K341	P333-S337 VanDerWaalsContact O-CB 3.24Å; P333-S337 WeakPolarHBondContact O-CB 3.48Å; P333-S337 PolarHBondContact O-N 2.89Å; T334-S337 PolarHBondContact O-N 2.85Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 2.99Å; S337-K341 WeakPolarHBondContact O-CB 3.44Å; S337-K341 WeakPolarHBondContact O-CD 3.37Å; S337-K341 VanDerWaalsContact O-CG 3.25Å; S337-K341 WeakPolarHBondContact O-CG 3.41Å; S337-K341 PolarHBondContact O-N 2.85Å; S337-K341 WeakPolarHBondContact OG-CE 3.47Å; S337-K341 PolarHBondContact OG-NZ 3.24Å; S337-K341 VanDerWaalsContact OG-NZ 3.1Å
338	N	97	Very high	95.6	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-42.9	-179.1	-71.4	-22.1	0	0	0	111.8	I269 T271 P272 T334 V335 T336 K341 A342	I269-N338 VanDerWaalsContact O-CB 3.3Å; I269-N338 WeakPolarHBondContact O-CB 3.18Å; I269-N338 PolarHBondContact O-ND2 3.04Å; T271-N338 VanDerWaalsContact C-ND2 3.33Å; T271-N338 PolarHBondContact O-ND2 2.97Å; P272-N338 WeakPolarHBondContact CA-OD1 3.22Å; T334-N338 WeakPolarHBondContact O-CB 3.44Å; T334-N338 PolarHBondContact O-N 2.71Å; T334-N338 PolarHBondContact O-ND2 3.28Å; V335-N338 PolarHBondContact O-N 3.16Å; T336-N338 PolarHBondContact O-N 3Å; N338-K341 PolarHBondContact O-N 3.37Å; N338-A342 WeakPolarHBondContact O-CB 3.44Å; N338-A342 PolarHBondContact O-N 3.15Å
339	V	97.2	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-46.6	175.9	173.2	0	0	0	0	110.6	I269 L301 Y303 V335 T336 K341 A342 T343 R350	I269-V339 HydrophobicContact CB-CG2 4.18Å; I269-V339 HydrophobicContact CG2-CG2 3.85Å; L301-V339 HydrophobicContact CD2-CG1 3.99Å; Y303-V339 HydrophobicContact CD1-CG1 3.7Å; Y303-V339 HydrophobicContact CD1-CG2 4.03Å; Y303-V339 HydrophobicContact CD2-CG2 3.7Å; Y303-V339 HydrophobicContact CE1-CB 4.43Å; Y303-V339 HydrophobicContact CE1-CG1 3.62Å; Y303-V339 HydrophobicContact CE1-CG2 4.26Å; Y303-V339 HydrophobicContact CE2-CG2 3.92Å; Y303-V339 HydrophobicContact CG-CG1 4.27Å; Y303-V339 HydrophobicContact CG-CG2 3.74Å; V335-V339 HydrophobicContact CG1-CG2 4.4Å; V335-V339 WeakPolarHBondContact O-CG2 3.38Å; V335-V339 PolarHBondContact O-N 2.94Å; T336-V339 PolarHBondContact O-N 3.45Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 2.99Å; V339-A342 WeakPolarHBondContact O-CB 3.49Å; V339-A342 PolarHBondContact O-N 3.13Å; V339-A342 VanDerWaalsContact O-N 3.16Å; V339-T343 PolarHBondContact O-N 3.4Å; V339-T343 PolarHBondContact O-OG1 3.14Å; V339-R350 HydrophobicContact CG1-CB 3.77Å; V339-R350 HydrophobicContact CG1-CG 4.41Å
340	I	96.6	Very high	96.2	Very high	30 Å²	30	37.5 Å²	37.5	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-41.5	175.9	-70	166.9	0	0	0	111.4	T336 T343 K344	T336-I340 HydrophobicContact CG2-CD1 3.92Å; T336-I340 WeakPolarHBondContact O-CB 3.46Å; T336-I340 WeakPolarHBondContact O-CD1 3.49Å; T336-I340 VanDerWaalsContact O-CG1 3.26Å; T336-I340 WeakPolarHBondContact O-CG1 3.47Å; T336-I340 PolarHBondContact O-N 3.41Å; I340-T343 PolarHBondContact O-OG1 3.37Å; I340-K344 HydrophobicContact CG2-CD 4.23Å; I340-K344 WeakPolarHBondContact O-CB 3.3Å; I340-K344 VanDerWaalsContact O-CG 3.26Å; I340-K344 WeakPolarHBondContact O-CG 3.34Å; I340-K344 PolarHBondContact O-N 3.41Å
341	K	95.6	Very high	96.5	Very high	108 Å²	108	31.6 Å²	31.6	47%	0.47	17%	0.174	S	C	.	.	H	α-helix	trans	-68.9	-37.7	177.3	-73.7	166.6	-176.3	159.4	0	112	S337 N338 V339 T345	S337-K341 WeakPolarHBondContact O-CB 3.44Å; S337-K341 WeakPolarHBondContact O-CD 3.37Å; S337-K341 VanDerWaalsContact O-CG 3.25Å; S337-K341 WeakPolarHBondContact O-CG 3.41Å; S337-K341 PolarHBondContact O-N 2.85Å; S337-K341 WeakPolarHBondContact OG-CE 3.47Å; S337-K341 PolarHBondContact OG-NZ 3.24Å; S337-K341 VanDerWaalsContact OG-NZ 3.1Å; N338-K341 PolarHBondContact O-N 3.37Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 2.99Å; K341-T345 PolarHBondContact O-N 3.5Å; K341-T345 PolarHBondContact O-OG1 2.96Å
342	A	95.7	Very high	96.7	Very high	3 Å²	3	31 Å²	31	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-50.4	176.5	0	0	0	0	0	110.5	T281 L301 N338 V339 K344 T345 T346	T281-A342 HydrophobicContact CG2-CB 4.14Å; L301-A342 HydrophobicContact CD2-CB 3.91Å; N338-A342 WeakPolarHBondContact O-CB 3.44Å; N338-A342 PolarHBondContact O-N 3.15Å; V339-A342 WeakPolarHBondContact O-CB 3.49Å; V339-A342 PolarHBondContact O-N 3.13Å; V339-A342 VanDerWaalsContact O-N 3.16Å; A342-K344 PolarHBondContact O-N 3.33Å; A342-T345 WeakPolarHBondContact O-CA 3.31Å; A342-T345 VanDerWaalsContact O-CB 3.31Å; A342-T345 WeakPolarHBondContact O-CB 3.33Å; A342-T345 PolarHBondContact O-N 2.96Å; A342-T346 PolarHBondContact O-N 2.86Å; A342-T346 PolarHBondContact O-OG1 2.76Å
343	T	96.3	Very high	96.8	Very high	16 Å²	16	30.7 Å²	30.7	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-31.9	178.9	56.5	0	0	0	0	113.5	L301 V339 I340 T345 T346 G347 G349 R350	L301-T343 HydrophobicContact CB-CG2 3.83Å; L301-T343 HydrophobicContact CD2-CG2 3.93Å; V339-T343 PolarHBondContact O-N 3.4Å; V339-T343 PolarHBondContact O-OG1 3.14Å; I340-T343 PolarHBondContact O-OG1 3.37Å; T343-T345 PolarHBondContact O-N 2.78Å; T343-T346 WeakPolarHBondContact CA-OG1 3.47Å; T343-T346 PolarHBondContact O-N 3.17Å; T343-G347 CarbonylContact O-C 3.52Å; T343-G347 WeakPolarHBondContact O-CA 3.3Å; T343-G347 PolarHBondContact O-N 3.05Å; T343-G349 WeakPolarHBondContact CG2-O 3.4Å; T343-R350 HydrophobicContact CG2-CB 3.98Å
344	K	95.1	Very high	96.9	Very high	169 Å²	169	29.1 Å²	29.1	74%	0.735	16%	0.159	S	C	*	.	H	α-helix	trans	-60.1	-30.5	168	-78.5	176.1	-179.6	-177.8	0	113.1	I340 A342	I340-K344 HydrophobicContact CG2-CD 4.23Å; I340-K344 WeakPolarHBondContact O-CB 3.3Å; I340-K344 VanDerWaalsContact O-CG 3.26Å; I340-K344 WeakPolarHBondContact O-CG 3.34Å; I340-K344 PolarHBondContact O-N 3.41Å; A342-K344 PolarHBondContact O-N 3.33Å
345	T	94	Very high	96.8	Very high	78 Å²	78	27.2 Å²	27.2	48%	0.479	15%	0.147	S	C	.	.	H	α-helix	trans	-82.1	-45.2	179	-56.5	0	0	0	0	111.5	L273 K341 A342 T343	L273-T345 HydrophobicContact CD2-CG2 3.93Å; K341-T345 PolarHBondContact O-N 3.5Å; K341-T345 PolarHBondContact O-OG1 2.96Å; A342-T345 WeakPolarHBondContact O-CA 3.31Å; A342-T345 VanDerWaalsContact O-CB 3.31Å; A342-T345 WeakPolarHBondContact O-CB 3.33Å; A342-T345 PolarHBondContact O-N 2.96Å; T343-T345 PolarHBondContact O-N 2.78Å
346	T	95.6	Very high	96.5	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-84.2	-22.7	-175.3	55.7	0	0	0	0	113.5	F283 A342 T343	F283-T346 HydrophobicContact CB-CG2 3.92Å; F283-T346 WeakPolarHBondContact O-CG2 3.2Å; A342-T346 PolarHBondContact O-N 2.86Å; A342-T346 PolarHBondContact O-OG1 2.76Å; T343-T346 WeakPolarHBondContact CA-OG1 3.47Å; T343-T346 PolarHBondContact O-N 3.17Å
347	G	96.3	Very high	95.7	Very high	27 Å²	27	30.8 Å²	30.8	28%	0.278	17%	0.166	S	C	.	.			trans	73.9	-176.5	-156.3	0	0	0	0	0	111.7	T343	T343-G347 CarbonylContact O-C 3.52Å; T343-G347 WeakPolarHBondContact O-CA 3.3Å; T343-G347 PolarHBondContact O-N 3.05Å
348	G	97.8	Very high	95.1	Very high	14 Å²	14	29.3 Å²	29.3	14%	0.144	16%	0.155	C	C	.	.	S	Bend	trans	82	-175.8	178.1	0	0	0	0	0	114.5	G34 P296 S299	G34-G348 WeakPolarHBondContact CA-O 3.41Å; P296-G348 WeakPolarHBondContact O-CA 3.23Å; S299-G348 CarbonylContact O-C 3.58Å; S299-G348 VanDerWaalsContact O-CA 3.29Å; S299-G348 WeakPolarHBondContact O-CA 3.43Å
349	G	98.4	Very high	94.5	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	178.7	-176.8	0	0	0	0	0	112.2	L30 G34 S299 V300 L301 T343	L30-G349 VanDerWaalsContact CD1-N 3.33Å; G34-G349 WeakPolarHBondContact O-CA 3.33Å; S299-G349 PolarHBondContact O-N 3.17Å; V300-G349 WeakPolarHBondContact CA-O 3.47Å; L301-G349 PolarHBondContact N-O 3.23Å; T343-G349 WeakPolarHBondContact CG2-O 3.4Å
350	R	98.3	Very high	94	Very high	43 Å²	43	29.9 Å²	29.9	16%	0.162	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.1	171.9	48.9	179	179.7	122.9	10	109.3	F36 L301 Y303 V339 T343 H382 E384	F36-R350 WeakPolarHBondContact CE2-O 3.27Å; L301-R350 WeakPolarHBondContact O-CA 3.29Å; Y303-R350 HydrophobicContact CE1-CB 4.28Å; V339-R350 HydrophobicContact CG1-CB 3.77Å; V339-R350 HydrophobicContact CG1-CG 4.41Å; T343-R350 HydrophobicContact CG2-CB 3.98Å; R350-H382 PolarHBondContact NH2-O 3.12Å; R350-E384 WeakPolarHBondContact CD-OE2 3.41Å; R350-E384 VanDerWaalsContact CG-OE2 3.26Å; R350-E384 WeakPolarHBondContact CG-OE2 3.26Å; R350-E384 IonicContact CZ-OE2 3.57Å; R350-E384 IonicContact NE-OE2 3.58Å; R350-E384 PolarHBondContact NE-OE2 2.85Å; R350-E384 IonicContact NH1-OE2 3.52Å; R350-E384 PolarHBondContact NH1-OE2 3.3Å; R350-E384 IonicContact NH2-OE2 2.81Å
351	F	98.8	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127.1	177.5	-160.4	-66.4	0	0	0	109.2	F36 F46 V79 I119 L210 F261 V300 L301 Y303 T353 E384 S385 T387	F36-F351 HydrophobicContact CE1-CD2 4.39Å; F36-F351 HydrophobicContact CE2-CD2 4.11Å; F36-F351 HydrophobicContact CZ-CB 4.36Å; F36-F351 AromaticContact CZ-CD2 3.68Å; F36-F351 HydrophobicContact CZ-CD2 3.68Å; F46-F351 HydrophobicContact CB-CE2 3.77Å; F46-F351 HydrophobicContact CB-CZ 4.02Å; F46-F351 HydrophobicContact CD2-CE2 4.16Å; F46-F351 HydrophobicContact CG-CE2 4.27Å; V79-F351 HydrophobicContact CG1-CZ 4.09Å; V79-F351 HydrophobicContact CG2-CZ 4.46Å; I119-F351 HydrophobicContact CD1-CD1 4.37Å; I119-F351 HydrophobicContact CD1-CD2 4.38Å; I119-F351 HydrophobicContact CD1-CE1 3.99Å; I119-F351 HydrophobicContact CD1-CE2 3.98Å; I119-F351 HydrophobicContact CD1-CZ 3.79Å; L210-F351 HydrophobicContact CD2-CE2 4.32Å; F261-F351 HydrophobicContact CD1-CB 4.29Å; F261-F351 HydrophobicContact CE1-CB 3.69Å; F261-F351 HydrophobicContact CE1-CD1 4.47Å; F261-F351 AromaticContact CE1-CD2 3.79Å; F261-F351 HydrophobicContact CE1-CD2 3.79Å; F261-F351 AromaticContact CE1-CG 3.75Å; F261-F351 HydrophobicContact CE1-CG 3.75Å; F261-F351 HydrophobicContact CZ-CD2 4.18Å; V300-F351 HydrophobicContact CG1-CB 3.61Å; L301-F351 PolarHBondContact O-N 3.47Å; Y303-F351 WeakPolarHBondContact CD1-O 3.47Å; Y303-F351 PolarHBondContact N-O 2.65Å; Y303-F351 VanDerWaalsContact N-O 3.11Å; F351-T353 HydrophobicContact CB-CG2 4.34Å; F351-T353 HydrophobicContact CD1-CG2 3.62Å; F351-T353 HydrophobicContact CE1-CG2 4.3Å; F351-T353 HydrophobicContact CG-CG2 4.27Å; F351-T353 PolarHBondContact O-N 3.17Å; F351-T353 VanDerWaalsContact O-N 3.09Å; F351-E384 WeakPolarHBondContact CA-OE1 3.28Å; F351-E384 PolarHBondContact N-OE1 2.91Å; F351-E384 VanDerWaalsContact N-OE1 3.15Å; F351-S385 VanDerWaalsContact CD2-CB 3.46Å; F351-T387 HydrophobicContact CE1-CG2 3.96Å; F351-T387 HydrophobicContact CZ-CG2 4.16Å
352	L	98.6	Very high	93.1	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	85.9	172	177.5	64.7	0	0	0	109.2	Y303 E354 F355 V375 E384 S385 W386 T387	Y303-L352 HydrophobicContact CD2-CD1 3.92Å; Y303-L352 HydrophobicContact CE1-CB 4.13Å; Y303-L352 HydrophobicContact CE2-CB 4.23Å; Y303-L352 HydrophobicContact CE2-CD1 3.54Å; Y303-L352 HydrophobicContact CE2-CG 4.44Å; Y303-L352 CarbonylContact O-C 3.47Å; Y303-L352 WeakPolarHBondContact O-CA 3.38Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-E354 VanDerWaalsContact CD1-O 3.28Å; L352-E354 WeakPolarHBondContact CD1-O 3.3Å; L352-F355 HydrophobicContact CD1-CB 4.35Å; L352-F355 HydrophobicContact CD2-CB 4.18Å; L352-F355 HydrophobicContact CD2-CD1 3.65Å; L352-F355 HydrophobicContact CD2-CE1 4.27Å; L352-F355 HydrophobicContact CD2-CG 4.03Å; L352-F355 HydrophobicContact CG-CB 4.41Å; L352-F355 HydrophobicContact CG-CD1 3.94Å; L352-V375 HydrophobicContact CD2-CG1 3.83Å; L352-E384 HydrophobicContact CB-CG 4.13Å; L352-E384 PolarHBondContact N-OE1 3.13Å; L352-S385 PolarHBondContact N-O 3.23Å; L352-W386 HydrophobicContact CB-CB 3.96Å; L352-W386 HydrophobicContact CD2-CB 4.08Å; L352-W386 HydrophobicContact CG-CB 4.22Å; L352-W386 CarbonylContact O-C 3.57Å; L352-W386 WeakPolarHBondContact O-CA 3.5Å; L352-T387 PolarHBondContact O-N 3.37Å
353	T	98.5	Very high	92.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-23.1	-171.2	39.2	0	0	0	0	113.3	N50 I119 F261 S302 Y303 H304 F351 T387	N50-T353 PolarHBondContact ND2-O 2.75Å; I119-T353 HydrophobicContact CD1-CG2 4.49Å; F261-T353 HydrophobicContact CD1-CG2 4.06Å; F261-T353 HydrophobicContact CE1-CG2 4.37Å; S302-T353 WeakPolarHBondContact OG-CB 3.39Å; S302-T353 WeakPolarHBondContact OG-CG2 3.47Å; S302-T353 PolarHBondContact OG-OG1 2.94Å; Y303-T353 PolarHBondContact N-OG1 3.4Å; Y303-T353 PolarHBondContact O-N 3.41Å; Y303-T353 PolarHBondContact O-OG1 2.83Å; H304-T353 PolarHBondContact CD2-OG1 3.3Å; H304-T353 PolarHBondContact NE2-OG1 2.96Å; H304-T353 VanDerWaalsContact NE2-OG1 3.12Å; F351-T353 HydrophobicContact CB-CG2 4.34Å; F351-T353 HydrophobicContact CD1-CG2 3.62Å; F351-T353 HydrophobicContact CE1-CG2 4.3Å; F351-T353 HydrophobicContact CG-CG2 4.27Å; F351-T353 PolarHBondContact O-N 3.17Å; F351-T353 VanDerWaalsContact O-N 3.09Å; T353-T387 CarbonylContact C-O 3.57Å; T353-T387 VanDerWaalsContact C-OG1 3.24Å; T353-T387 VanDerWaalsContact CA-OG1 3.27Å; T353-T387 WeakPolarHBondContact CA-OG1 3.28Å; T353-T387 PolarHBondContact O-OG1 3.46Å
354	E	97.5	Very high	92.6	Very high	5 Å²	5	34 Å²	34	2%	0.023	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.1	168.9	-61.2	-174.9	-169.7	0	0	112.3	R81 H123 N216 H304 Y305 Y306 L352 T387 W389	R81-E354 IonicContact CZ-OE1 3.6Å; R81-E354 IonicContact NH1-OE1 3.23Å; R81-E354 PolarHBondContact NH1-OE1 3.39Å; R81-E354 IonicContact NH2-OE1 2.94Å; H123-E354 IonicContact CE1-OE1 2.86Å; H123-E354 PolarHBondContact CE1-OE1 3.43Å; N216-E354 PolarHBondContact OD1-OE1 3.04Å; H304-E354 CarbonylContact C-O 3.47Å; H304-E354 WeakPolarHBondContact CA-O 3.11Å; H304-E354 HydrophobicContact CB-CB 4.14Å; H304-E354 VanDerWaalsContact CD2-CB 3.49Å; H304-E354 WeakPolarHBondContact CD2-CB 3.23Å; H304-E354 PolarHBondContact CD2-N 3.39Å; H304-E354 IonicContact CE1-OE1 3.18Å; H304-E354 IonicContact CE1-OE2 3.49Å; H304-E354 IonicContact ND1-OE2 3.21Å; H304-E354 WeakPolarHBondContact NE2-CG 3.31Å; H304-E354 IonicContact NE2-OE1 3.79Å; Y305-E354 PolarHBondContact N-O 2.91Å; Y306-E354 HydrophobicContact CE2-CB 4.18Å; Y306-E354 PolarHBondContact OH-OE2 3.18Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-E354 VanDerWaalsContact CD1-O 3.28Å; L352-E354 WeakPolarHBondContact CD1-O 3.3Å; E354-T387 WeakPolarHBondContact CA-O 3.17Å; E354-W389 HydrophobicContact CB-CB 4.48Å; E354-W389 VanDerWaalsContact CD-CE3 3.49Å; E354-W389 HydrophobicContact CG-CE3 4.04Å; E354-W389 WeakPolarHBondContact OE1-CZ3 3.33Å
355	F	95.4	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155	161	67	-76.1	0	0	0	107.5	Y305 L352 V375 L376 W386 F388 W389 F408	Y305-F355 WeakPolarHBondContact O-CA 3.47Å; Y305-F355 WeakPolarHBondContact O-CB 3.44Å; L352-F355 HydrophobicContact CD1-CB 4.35Å; L352-F355 HydrophobicContact CD2-CB 4.18Å; L352-F355 HydrophobicContact CD2-CD1 3.65Å; L352-F355 HydrophobicContact CD2-CE1 4.27Å; L352-F355 HydrophobicContact CD2-CG 4.03Å; L352-F355 HydrophobicContact CG-CB 4.41Å; L352-F355 HydrophobicContact CG-CD1 3.94Å; F355-V375 HydrophobicContact CB-CG1 4.14Å; F355-V375 HydrophobicContact CD1-CG1 4.4Å; F355-V375 HydrophobicContact CD2-CB 4.03Å; F355-V375 HydrophobicContact CD2-CG1 3.46Å; F355-V375 VanDerWaalsContact CD2-CG1 3.46Å; F355-V375 HydrophobicContact CD2-CG2 4.46Å; F355-V375 HydrophobicContact CE2-CB 4.3Å; F355-V375 HydrophobicContact CE2-CG1 3.85Å; F355-V375 HydrophobicContact CG-CG1 3.74Å; F355-V375 HydrophobicContact CZ-CG1 4.47Å; F355-L376 HydrophobicContact CE2-CD2 4.37Å; F355-L376 HydrophobicContact CZ-CD2 3.98Å; F355-W386 HydrophobicContact CD1-CB 4.38Å; F355-W386 HydrophobicContact CE1-CB 3.82Å; F355-W386 AromaticContact CE1-CD2 3.89Å; F355-W386 HydrophobicContact CE1-CD2 3.89Å; F355-W386 AromaticContact CE1-CE3 3.82Å; F355-W386 HydrophobicContact CE1-CE3 3.82Å; F355-W386 AromaticContact CE1-CG 3.88Å; F355-W386 HydrophobicContact CE1-CG 3.88Å; F355-W386 HydrophobicContact CZ-CD2 4.09Å; F355-W386 HydrophobicContact CZ-CE3 4.04Å; F355-W386 HydrophobicContact CZ-CG 4.37Å; F355-F388 HydrophobicContact CD2-CD2 4.08Å; F355-F388 HydrophobicContact CE1-CB 3.92Å; F355-F388 HydrophobicContact CE1-CD2 4.39Å; F355-F388 AromaticContact CE2-CD2 3.75Å; F355-F388 HydrophobicContact CE2-CD2 3.75Å; F355-F388 HydrophobicContact CE2-CE2 4.49Å; F355-F388 HydrophobicContact CZ-CB 3.87Å; F355-F388 AromaticContact CZ-CD2 3.93Å; F355-F388 HydrophobicContact CZ-CD2 3.93Å; F355-F388 HydrophobicContact CZ-CG 4.31Å; F355-F388 VanDerWaalsContact O-CD2 3.31Å; F355-F388 WeakPolarHBondContact O-CD2 3.34Å; F355-W389 WeakPolarHBondContact O-CB 3.29Å; F355-W389 PolarHBondContact O-N 3.4Å; F355-F408 AromaticContact CE2-CE1 3.77Å; F355-F408 HydrophobicContact CE2-CE1 3.77Å; F355-F408 HydrophobicContact CE2-CZ 4.3Å; F355-F408 HydrophobicContact CZ-CD1 4.43Å; F355-F408 AromaticContact CZ-CE1 3.68Å; F355-F408 HydrophobicContact CZ-CE1 3.68Å
356	G	89.3	Confident	92.4	Very high	2 Å²	2	25 Å²	25	2%	0.021	16%	0.164	C	C	.	.			trans	-177.7	-147.9	-176.2	0	0	0	0	0	111.3	C358	G356-C358 PolarHBondContact O-N 2.85Å
357	L	81	Confident	92.1	Very high	79 Å²	79	24.6 Å²	24.6	41%	0.414	16%	0.161	S	C	.	.	S	Bend	trans	55.5	27.7	-163.3	-58.8	173.7	0	0	0	112.2	Y306 Q311	Y306-L357 HydrophobicContact CD1-CD1 4.13Å; Y306-L357 HydrophobicContact CD1-CG 3.91Å; Q311-L357 HydrophobicContact CB-CD1 4.42Å
358	C	84.7	Confident	91.8	Very high	11 Å²	11	24.6 Å²	24.6	7%	0.074	16%	0.155	C	C	.	.			trans	-148.8	158.3	178.8	81.6	0	0	0	0	108.6	G356 N368 E371 C372 F388	G356-C358 PolarHBondContact O-N 2.85Å; C358-N368 VanDerWaalsContact CA-OD1 3.3Å; C358-N368 WeakPolarHBondContact CA-OD1 3.27Å; C358-N368 WeakPolarHBondContact CB-O 3.29Å; C358-E371 HydrophobicContact CB-CB 3.75Å; C358-E371 HydrophobicContact CB-CG 3.83Å; C358-C372 HydrophobicContact CB-CB 3.78Å; C358-C372 WeakPolarHBondContact CB-SG 3.48Å; C358-C372 WeakPolarHBondContact SG-CA 3.31Å; C358-C372 WeakPolarHBondContact SG-CB 3.41Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 3.48Å; C358-F388 WeakPolarHBondContact O-CZ 3.45Å
359	G	84.6	Confident	91.5	Very high	7 Å²	7	24.2 Å²	24.2	7%	0.072	15%	0.15	C	C	.	.			trans	172.8	102.2	179.2	0	0	0	0	0	108.9	D361 N368 C372	G359-D361 PolarHBondContact O-N 3.1Å; G359-D361 VanDerWaalsContact O-N 3.08Å; G359-N368 PolarHBondContact N-O 2.99Å; G359-N368 PolarHBondContact N-OD1 3.4Å; G359-N368 VanDerWaalsContact O-CB 3.23Å; G359-N368 WeakPolarHBondContact O-CB 3.33Å; G359-N368 VanDerWaalsContact O-CG 3.23Å; G359-N368 PolarHBondContact O-ND2 3.26Å; G359-C372 PolarHBondContact N-SG 3.13Å
360	D	85.3	Confident	91.2	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.08	16%	0.158	C	C	.	.			trans	-47.6	119.1	-171.3	-176.9	8.9	0	0	0	111.5	G362 T369 T403 S407	D360-G362 WeakPolarHBondContact OD1-CA 3.43Å; D360-G362 PolarHBondContact OD1-N 3.04Å; D360-T369 WeakPolarHBondContact CA-OG1 3.05Å; D360-T369 WeakPolarHBondContact OD1-CG2 3.31Å; D360-T369 PolarHBondContact OD1-OG1 2.63Å; D360-T403 WeakPolarHBondContact O-CB 3.35Å; D360-T403 PolarHBondContact O-OG1 3.21Å; D360-T403 VanDerWaalsContact OD2-O 3.09Å; D360-S407 WeakPolarHBondContact CB-OG 3.43Å; D360-S407 VanDerWaalsContact CG-OG 3.25Å; D360-S407 PolarHBondContact OD2-OG 2.68Å
361	D	87.9	Confident	91	Very high	53 Å²	53	23.8 Å²	23.8	28%	0.283	15%	0.15	S	C	.	.			trans	-104.9	7.6	-178.3	64.8	5.8	0	0	0	112.2	N316 G359 N363 S366 T369	N316-D361 VanDerWaalsContact CA-OD2 3.3Å; N316-D361 WeakPolarHBondContact CA-OD2 3.29Å; N316-D361 WeakPolarHBondContact CB-OD2 3.36Å; G359-D361 PolarHBondContact O-N 3.1Å; G359-D361 VanDerWaalsContact O-N 3.08Å; D361-N363 PolarHBondContact O-N 3.28Å; D361-N363 WeakPolarHBondContact OD1-CB 3.23Å; D361-N363 PolarHBondContact OD1-N 3.47Å; D361-S366 VanDerWaalsContact CG-OG 3.27Å; D361-S366 WeakPolarHBondContact OD1-CB 3.18Å; D361-S366 PolarHBondContact OD1-OG 2.79Å; D361-S366 WeakPolarHBondContact OD2-CB 3.47Å; D361-S366 PolarHBondContact OD2-OG 3.1Å; D361-T369 PolarHBondContact N-OG1 2.82Å; D361-T369 PolarHBondContact OD1-OG1 3.43Å; D361-T369 VanDerWaalsContact OD1-OG1 3.13Å
362	G	86.5	Confident	90.6	Very high	48 Å²	48	23.8 Å²	23.8	50%	0.495	15%	0.15	S	C	.	.	S	Bend	trans	80.8	-5.2	-178.6	0	0	0	0	0	114.3	D360 P364	D360-G362 WeakPolarHBondContact OD1-CA 3.43Å; D360-G362 PolarHBondContact OD1-N 3.04Å; G362-P364 WeakPolarHBondContact O-CD 3.33Å
363	N	91.2	Very high	90.3	Very high	59 Å²	59	24 Å²	24	32%	0.316	15%	0.151	S	C	.	.			trans	-93	108.5	172.6	176.2	3.8	0	0	0	109.5	D361 S365 S366 T369	D361-N363 PolarHBondContact O-N 3.28Å; D361-N363 WeakPolarHBondContact OD1-CB 3.23Å; D361-N363 PolarHBondContact OD1-N 3.47Å; N363-S365 PolarHBondContact O-N 3.06Å; N363-S365 PolarHBondContact OD1-N 2.74Å; N363-S365 VanDerWaalsContact OD1-N 3.11Å; N363-S366 WeakPolarHBondContact O-CB 3.19Å; N363-S366 PolarHBondContact O-N 2.86Å; N363-S366 PolarHBondContact O-OG 3.01Å; N363-T369 WeakPolarHBondContact O-CB 3.41Å; N363-T369 PolarHBondContact O-OG1 3.3Å
364	P	89.6	Confident	90.1	Very high	84 Å²	84	24.8 Å²	24.8	55%	0.545	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.2	-174.8	28.2	-36.5	0	0	0	114.3	G362 L370	G362-P364 WeakPolarHBondContact O-CD 3.33Å; P364-L370 WeakPolarHBondContact O-CD2 3.39Å
365	S	91.6	Very high	90.1	Very high	58 Å²	58	24.7 Å²	24.7	41%	0.406	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-2	177.6	-53	0	0	0	0	113.3	T318 M319 N363	T318-S365 CarbonylContact C-O 3.58Å; T318-S365 VanDerWaalsContact CA-O 3.29Å; T318-S365 WeakPolarHBondContact CA-O 3.42Å; M319-S365 PolarHBondContact N-O 2.84Å; N363-S365 PolarHBondContact O-N 3.06Å; N363-S365 PolarHBondContact OD1-N 2.74Å; N363-S365 VanDerWaalsContact OD1-N 3.11Å
366	S	92.9	Very high	90.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-70.8	154.5	-179	70.1	0	0	0	0	111.6	S317 D361 N363 N368 T369 L370	S317-S366 CarbonylContact O-C 3.57Å; S317-S366 VanDerWaalsContact O-CA 3.23Å; S317-S366 WeakPolarHBondContact O-CA 3.48Å; D361-S366 VanDerWaalsContact CG-OG 3.27Å; D361-S366 WeakPolarHBondContact OD1-CB 3.18Å; D361-S366 PolarHBondContact OD1-OG 2.79Å; D361-S366 WeakPolarHBondContact OD2-CB 3.47Å; D361-S366 PolarHBondContact OD2-OG 3.1Å; N363-S366 WeakPolarHBondContact O-CB 3.19Å; N363-S366 PolarHBondContact O-N 2.86Å; N363-S366 PolarHBondContact O-OG 3.01Å; S366-N368 PolarHBondContact O-N 3.49Å; S366-T369 PolarHBondContact O-N 3.24Å; S366-T369 WeakPolarHBondContact OG-CB 3.5Å; S366-T369 PolarHBondContact OG-N 2.89Å; S366-T369 PolarHBondContact OG-OG1 2.83Å; S366-L370 WeakPolarHBondContact O-CB 3.28Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å; S366-L370 PolarHBondContact O-N 2.62Å; S366-L370 VanDerWaalsContact O-N 3.1Å
367	V	90.6	Very high	90.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-53.5	-46.5	170.3	168.9	0	0	0	0	110.1	L310 D313 P315 S317 M319 E371	L310-V367 HydrophobicContact CB-CG1 4.21Å; L310-V367 HydrophobicContact CD1-CG1 3.96Å; L310-V367 HydrophobicContact CD2-CG1 4.05Å; L310-V367 HydrophobicContact CG-CG1 4.28Å; D313-V367 HydrophobicContact CB-CG2 4.25Å; P315-V367 WeakPolarHBondContact O-CB 3.4Å; P315-V367 PolarHBondContact O-N 3.32Å; S317-V367 PolarHBondContact O-N 3.42Å; M319-V367 HydrophobicContact CB-CG2 3.78Å; M319-V367 HydrophobicContact CE-CB 4.22Å; M319-V367 HydrophobicContact CE-CG1 4.03Å; M319-V367 HydrophobicContact CE-CG2 4.32Å; M319-V367 HydrophobicContact CG-CG2 4.03Å; V367-E371 VanDerWaalsContact O-CB 3.3Å; V367-E371 WeakPolarHBondContact O-CB 3.48Å; V367-E371 PolarHBondContact O-N 3.07Å; V367-E371 VanDerWaalsContact O-N 3.07Å
368	N	88.9	Confident	91.1	Very high	27 Å²	27	24.2 Å²	24.2	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-56.3	-51.3	180	-102.5	-11.6	0	0	0	114.5	P315 C358 G359 S366 C372	P315-N368 VanDerWaalsContact CB-CG 3.43Å; P315-N368 VanDerWaalsContact CB-ND2 3.26Å; P315-N368 WeakPolarHBondContact CB-ND2 3.16Å; P315-N368 VanDerWaalsContact CB-OD1 3.29Å; P315-N368 WeakPolarHBondContact CB-OD1 3.45Å; P315-N368 VanDerWaalsContact O-CB 3.29Å; P315-N368 WeakPolarHBondContact O-CB 3.07Å; P315-N368 PolarHBondContact O-N 3.36Å; C358-N368 VanDerWaalsContact CA-OD1 3.3Å; C358-N368 WeakPolarHBondContact CA-OD1 3.27Å; C358-N368 WeakPolarHBondContact CB-O 3.29Å; G359-N368 PolarHBondContact N-O 2.99Å; G359-N368 PolarHBondContact N-OD1 3.4Å; G359-N368 VanDerWaalsContact O-CB 3.23Å; G359-N368 WeakPolarHBondContact O-CB 3.33Å; G359-N368 VanDerWaalsContact O-CG 3.23Å; G359-N368 PolarHBondContact O-ND2 3.26Å; S366-N368 PolarHBondContact O-N 3.49Å; N368-C372 WeakPolarHBondContact O-CB 3.21Å; N368-C372 PolarHBondContact O-N 3.21Å
369	T	91.1	Very high	91.7	Very high	6 Å²	6	24 Å²	24	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-41.7	-175.2	-61.1	0	0	0	0	111.2	D360 D361 N363 S366 N373	D360-T369 WeakPolarHBondContact CA-OG1 3.05Å; D360-T369 WeakPolarHBondContact OD1-CG2 3.31Å; D360-T369 PolarHBondContact OD1-OG1 2.63Å; D361-T369 PolarHBondContact N-OG1 2.82Å; D361-T369 PolarHBondContact OD1-OG1 3.43Å; D361-T369 VanDerWaalsContact OD1-OG1 3.13Å; N363-T369 WeakPolarHBondContact O-CB 3.41Å; N363-T369 PolarHBondContact O-OG1 3.3Å; S366-T369 PolarHBondContact O-N 3.24Å; S366-T369 WeakPolarHBondContact OG-CB 3.5Å; S366-T369 PolarHBondContact OG-N 2.89Å; S366-T369 PolarHBondContact OG-OG1 2.83Å; T369-N373 WeakPolarHBondContact O-CB 3.5Å; T369-N373 PolarHBondContact O-N 3.36Å; T369-N373 PolarHBondContact O-ND2 3.21Å
370	L	92.6	Very high	92.3	Very high	36 Å²	36	23.8 Å²	23.8	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-47.2	-178.4	-72.1	171.5	0	0	0	112.3	M319 P364 S366 N373 A374	M319-L370 HydrophobicContact CB-CD1 3.76Å; M319-L370 HydrophobicContact CE-CB 4.12Å; M319-L370 HydrophobicContact SD-CB 4.4Å; M319-L370 HydrophobicContact SD-CD1 4.44Å; P364-L370 WeakPolarHBondContact O-CD2 3.39Å; S366-L370 WeakPolarHBondContact O-CB 3.28Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å; S366-L370 PolarHBondContact O-N 2.62Å; S366-L370 VanDerWaalsContact O-N 3.1Å; L370-N373 PolarHBondContact O-N 2.76Å; L370-A374 WeakPolarHBondContact O-CB 3.47Å; L370-A374 PolarHBondContact O-N 3.23Å
371	E	93.3	Very high	92.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-45.6	-178.2	-179.6	67.8	-175.7	0	0	111.4	Y305 C307 L310 M319 C358 V367 N373 A374 V375	Y305-E371 WeakPolarHBondContact CE1-OE1 3.03Å; Y305-E371 PolarHBondContact OH-OE1 3Å; C307-E371 VanDerWaalsContact CB-OE1 3.26Å; C307-E371 WeakPolarHBondContact CB-OE1 3.44Å; L310-E371 HydrophobicContact CD1-CB 3.94Å; L310-E371 HydrophobicContact CD1-CG 3.8Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.46Å; M319-E371 HydrophobicContact CE-CB 4.13Å; C358-E371 HydrophobicContact CB-CB 3.75Å; C358-E371 HydrophobicContact CB-CG 3.83Å; V367-E371 VanDerWaalsContact O-CB 3.3Å; V367-E371 WeakPolarHBondContact O-CB 3.48Å; V367-E371 PolarHBondContact O-N 3.07Å; V367-E371 VanDerWaalsContact O-N 3.07Å; E371-N373 PolarHBondContact O-N 3.05Å; E371-A374 PolarHBondContact O-N 3.32Å; E371-V375 WeakPolarHBondContact O-CG2 3.39Å; E371-V375 PolarHBondContact O-N 2.86Å
372	C	91.8	Very high	93.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-46.5	179	-92	0	0	0	0	111.8	C358 G359 N368 A374 V375 L376 F408	C358-C372 HydrophobicContact CB-CB 3.78Å; C358-C372 WeakPolarHBondContact CB-SG 3.48Å; C358-C372 WeakPolarHBondContact SG-CA 3.31Å; C358-C372 WeakPolarHBondContact SG-CB 3.41Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 3.48Å; G359-C372 PolarHBondContact N-SG 3.13Å; N368-C372 WeakPolarHBondContact O-CB 3.21Å; N368-C372 PolarHBondContact O-N 3.21Å; C372-A374 VanDerWaalsContact C-N 3.32Å; C372-A374 PolarHBondContact O-N 3.23Å; C372-V375 PolarHBondContact O-N 3.04Å; C372-L376 WeakPolarHBondContact O-CB 3.41Å; C372-L376 WeakPolarHBondContact O-CG 3.29Å; C372-L376 PolarHBondContact O-N 2.65Å; C372-F408 HydrophobicContact CB-CE2 4.43Å; C372-F408 HydrophobicContact CB-CZ 4.36Å; C372-F408 WeakPolarHBondContact SG-CZ 3.36Å
373	N	92.5	Very high	93.8	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.059	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-41.4	178.1	-75.5	-27.3	0	0	0	111.6	T369 L370 E371 L376 D377 H427	T369-N373 WeakPolarHBondContact O-CB 3.5Å; T369-N373 PolarHBondContact O-N 3.36Å; T369-N373 PolarHBondContact O-ND2 3.21Å; L370-N373 PolarHBondContact O-N 2.76Å; E371-N373 PolarHBondContact O-N 3.05Å; N373-L376 PolarHBondContact O-N 3.45Å; N373-D377 VanDerWaalsContact O-CB 3.29Å; N373-D377 WeakPolarHBondContact O-CB 3.44Å; N373-D377 PolarHBondContact O-N 2.82Å; N373-H427 PolarHBondContact ND2-NE2 3.13Å
374	A	94.5	Very high	94.1	Very high	15 Å²	15	24 Å²	24	12%	0.124	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-46.7	177.1	0	0	0	0	0	112.3	D328 L332 L370 E371 C372 D377 E378	D328-A374 HydrophobicContact CB-CB 4.15Å; L332-A374 HydrophobicContact CD2-CB 4.19Å; L332-A374 WeakPolarHBondContact CD2-O 3.44Å; L370-A374 WeakPolarHBondContact O-CB 3.47Å; L370-A374 PolarHBondContact O-N 3.23Å; E371-A374 PolarHBondContact O-N 3.32Å; C372-A374 VanDerWaalsContact C-N 3.32Å; C372-A374 PolarHBondContact O-N 3.23Å; A374-D377 PolarHBondContact O-N 3.36Å; A374-E378 WeakPolarHBondContact O-CB 3.29Å; A374-E378 PolarHBondContact O-N 3.03Å
375	V	95.8	Very high	94.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-43.7	178.7	178.4	0	0	0	0	111.6	Y305 L332 L352 F355 E371 C372 E378 A379	Y305-V375 HydrophobicContact CD1-CG2 3.65Å; Y305-V375 HydrophobicContact CE1-CG2 3.51Å; L332-V375 HydrophobicContact CD1-CG2 4.44Å; L332-V375 HydrophobicContact CD2-CG2 4.19Å; L352-V375 HydrophobicContact CD2-CG1 3.83Å; F355-V375 HydrophobicContact CB-CG1 4.14Å; F355-V375 HydrophobicContact CD1-CG1 4.4Å; F355-V375 HydrophobicContact CD2-CB 4.03Å; F355-V375 HydrophobicContact CD2-CG1 3.46Å; F355-V375 VanDerWaalsContact CD2-CG1 3.46Å; F355-V375 HydrophobicContact CD2-CG2 4.46Å; F355-V375 HydrophobicContact CE2-CB 4.3Å; F355-V375 HydrophobicContact CE2-CG1 3.85Å; F355-V375 HydrophobicContact CG-CG1 3.74Å; F355-V375 HydrophobicContact CZ-CG1 4.47Å; E371-V375 WeakPolarHBondContact O-CG2 3.39Å; E371-V375 PolarHBondContact O-N 2.86Å; C372-V375 PolarHBondContact O-N 3.04Å; V375-E378 PolarHBondContact O-N 3.25Å; V375-A379 WeakPolarHBondContact O-CB 2.84Å; V375-A379 PolarHBondContact O-N 3.42Å
376	L	95.6	Very high	94.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.9	-42.6	178.8	-66.9	171.9	0	0	0	111.8	F355 C372 N373 A379 D380 W386 S407 F408	F355-L376 HydrophobicContact CE2-CD2 4.37Å; F355-L376 HydrophobicContact CZ-CD2 3.98Å; C372-L376 WeakPolarHBondContact O-CB 3.41Å; C372-L376 WeakPolarHBondContact O-CG 3.29Å; C372-L376 PolarHBondContact O-N 2.65Å; N373-L376 PolarHBondContact O-N 3.45Å; L376-A379 PolarHBondContact O-N 3.12Å; L376-D380 WeakPolarHBondContact O-CB 2.81Å; L376-D380 PolarHBondContact O-N 3.07Å; L376-W386 HydrophobicContact CD2-CD2 4.33Å; L376-W386 VanDerWaalsContact CD2-CE2 3.48Å; L376-W386 HydrophobicContact CD2-CH2 4.16Å; L376-W386 HydrophobicContact CD2-CZ2 3.42Å; L376-W386 VanDerWaalsContact CD2-CZ2 3.42Å; L376-S407 WeakPolarHBondContact CD1-O 3.26Å; L376-F408 HydrophobicContact CD1-CD1 4.12Å; L376-F408 HydrophobicContact CD1-CE1 4.38Å; L376-F408 HydrophobicContact CD1-CG 4.25Å; L376-F408 HydrophobicContact CD2-CD1 4.06Å; L376-F408 HydrophobicContact CD2-CE1 4.3Å
377	D	95.6	Very high	95.1	Very high	54 Å²	54	17.4 Å²	17.4	29%	0.289	9%	0.088	S	C	.	.	H	α-helix	trans	-66.3	-40.5	177.9	-72.6	-11.6	0	0	0	111.9	N373 A374 D380 K381 R410	N373-D377 VanDerWaalsContact O-CB 3.29Å; N373-D377 WeakPolarHBondContact O-CB 3.44Å; N373-D377 PolarHBondContact O-N 2.82Å; A374-D377 PolarHBondContact O-N 3.36Å; D377-D380 PolarHBondContact O-N 3.15Å; D377-K381 WeakPolarHBondContact O-CB 2.79Å; D377-K381 PolarHBondContact O-N 3.4Å; D377-R410 IonicContact OD1-CZ 2.58Å; D377-R410 IonicContact OD1-NH1 3.37Å; D377-R410 IonicContact OD1-NH2 3.61Å; D377-R410 PolarHBondContact OD1-NH2 2.88Å
378	E	97	Very high	95.4	Very high	18 Å²	18	17.6 Å²	17.6	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-38.7	175.4	-174.4	74	174	0	0	111.2	L332 T336 A374 V375 K381 H382	L332-E378 HydrophobicContact CD1-CB 4.23Å; L332-E378 HydrophobicContact CD1-CG 4.08Å; L332-E378 HydrophobicContact CD2-CB 3.73Å; L332-E378 HydrophobicContact CD2-CG 4.23Å; L332-E378 HydrophobicContact CG-CB 3.95Å; L332-E378 HydrophobicContact CG-CG 3.87Å; T336-E378 HydrophobicContact CG2-CG 4.39Å; T336-E378 WeakPolarHBondContact OG1-CG 3.35Å; A374-E378 WeakPolarHBondContact O-CB 3.29Å; A374-E378 PolarHBondContact O-N 3.03Å; V375-E378 PolarHBondContact O-N 3.25Å; E378-K381 PolarHBondContact O-N 2.87Å; E378-K381 IonicContact OE1-NZ 2.81Å; E378-K381 WeakPolarHBondContact OE2-CD 3.31Å; E378-K381 IonicContact OE2-NZ 3.4Å; E378-K381 PolarHBondContact OE2-NZ 3.48Å; E378-H382 PolarHBondContact O-CD2 3.45Å; E378-H382 PolarHBondContact O-N 2.8Å; E378-H382 IonicContact OE1-CD2 3.87Å; E378-H382 PolarHBondContact OE1-CD2 2.79Å; E378-H382 IonicContact OE1-NE2 3.49Å; E378-H382 PolarHBondContact OE1-NE2 3.35Å
379	A	97.4	Very high	95.6	Very high	6 Å²	6	19.1 Å²	19.1	5%	0.05	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-41.8	174.4	0	0	0	0	0	112.1	V375 L376 H382 F383 E384	V375-A379 WeakPolarHBondContact O-CB 2.84Å; V375-A379 PolarHBondContact O-N 3.42Å; L376-A379 PolarHBondContact O-N 3.12Å; A379-H382 CarbonylContact O-C 3.55Å; A379-H382 PolarHBondContact O-N 3.12Å; A379-F383 PolarHBondContact O-N 2.81Å; A379-E384 HydrophobicContact CB-CB 4.08Å; A379-E384 PolarHBondContact O-N 3.42Å
380	D	96.9	Very high	94.9	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-52.3	174.6	-81	-15.6	0	0	0	110.9	R47 L376 D377 H382 F383 R410 Q423	R47-D380 IonicContact CZ-OD1 3.45Å; R47-D380 IonicContact NH2-OD1 2.67Å; R47-D380 PolarHBondContact NH2-OD1 3.1Å; L376-D380 WeakPolarHBondContact O-CB 2.81Å; L376-D380 PolarHBondContact O-N 3.07Å; D377-D380 PolarHBondContact O-N 3.15Å; D380-H382 PolarHBondContact O-N 3.15Å; D380-H382 VanDerWaalsContact O-N 3.08Å; D380-F383 PolarHBondContact O-N 3.47Å; D380-R410 IonicContact OD2-CZ 3.07Å; D380-R410 IonicContact OD2-NE 3.54Å; D380-R410 PolarHBondContact OD2-NE 3.03Å; D380-R410 IonicContact OD2-NH2 2.67Å; D380-R410 PolarHBondContact OD2-NH2 3.1Å; D380-Q423 HydrophobicContact CB-CG 4.02Å; D380-Q423 WeakPolarHBondContact O-CG 3.28Å; D380-Q423 PolarHBondContact O-NE2 3.49Å
381	K	96.8	Very high	93.8	Very high	113 Å²	113	19.4 Å²	19.4	49%	0.491	10%	0.096	S	C	.	.	H	α-helix	trans	-53.2	-32.9	178.6	174.2	-178.9	157.8	-152.3	0	113.3	D377 E378	D377-K381 WeakPolarHBondContact O-CB 2.79Å; D377-K381 PolarHBondContact O-N 3.4Å; E378-K381 PolarHBondContact O-N 2.87Å; E378-K381 IonicContact OE1-NZ 2.81Å; E378-K381 WeakPolarHBondContact OE2-CD 3.31Å; E378-K381 IonicContact OE2-NZ 3.4Å; E378-K381 PolarHBondContact OE2-NZ 3.48Å
382	H	96.9	Very high	93.1	Very high	51 Å²	51	26.3 Å²	26.3	24%	0.236	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	7.5	-177.5	-74.5	-73.2	0	0	0	114.8	T336 R350 E378 A379 D380 E384	T336-H382 HydrophobicContact CG2-CB 4.19Å; T336-H382 VanDerWaalsContact CG2-CD2 3.42Å; T336-H382 WeakPolarHBondContact CG2-CD2 3.27Å; R350-H382 PolarHBondContact NH2-O 3.12Å; E378-H382 PolarHBondContact O-CD2 3.45Å; E378-H382 PolarHBondContact O-N 2.8Å; E378-H382 IonicContact OE1-CD2 3.87Å; E378-H382 PolarHBondContact OE1-CD2 2.79Å; E378-H382 IonicContact OE1-NE2 3.49Å; E378-H382 PolarHBondContact OE1-NE2 3.35Å; A379-H382 CarbonylContact O-C 3.55Å; A379-H382 PolarHBondContact O-N 3.12Å; D380-H382 PolarHBondContact O-N 3.15Å; D380-H382 VanDerWaalsContact O-N 3.08Å; H382-E384 PolarHBondContact O-N 3.07Å
383	F	97.3	Very high	93	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.048	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.4	-175	-153.6	-94.7	0	0	0	112.4	M35 I43 L45 A379 D380 P413 F420 F434	M35-F383 HydrophobicContact CE-CD1 3.24Å; M35-F383 HydrophobicContact CE-CE1 3.66Å; M35-F383 HydrophobicContact CE-CG 4.19Å; I43-F383 HydrophobicContact CG2-CE1 3.83Å; I43-F383 HydrophobicContact CG2-CZ 4.44Å; L45-F383 HydrophobicContact CB-CE1 3.95Å; L45-F383 HydrophobicContact CB-CZ 3.99Å; L45-F383 HydrophobicContact CD1-CD1 3.87Å; L45-F383 HydrophobicContact CD1-CE1 4.03Å; L45-F383 HydrophobicContact CD1-CG 4.29Å; L45-F383 HydrophobicContact CD2-CD2 4.12Å; L45-F383 HydrophobicContact CD2-CE1 4.36Å; L45-F383 HydrophobicContact CD2-CE2 3.99Å; L45-F383 HydrophobicContact CD2-CG 4.44Å; L45-F383 HydrophobicContact CD2-CZ 4.12Å; L45-F383 HydrophobicContact CG-CE1 4.35Å; L45-F383 HydrophobicContact CG-CZ 4.47Å; A379-F383 PolarHBondContact O-N 2.81Å; D380-F383 PolarHBondContact O-N 3.47Å; F383-P413 HydrophobicContact CD2-CG 4.48Å; F383-P413 HydrophobicContact CE2-CG 3.42Å; F383-P413 VanDerWaalsContact CE2-CG 3.42Å; F383-P413 HydrophobicContact CZ-CG 3.87Å; F383-F420 HydrophobicContact CB-CD1 3.73Å; F383-F420 HydrophobicContact CB-CD2 4.14Å; F383-F420 HydrophobicContact CB-CE1 3.82Å; F383-F420 HydrophobicContact CB-CE2 4.21Å; F383-F420 HydrophobicContact CB-CG 3.87Å; F383-F420 HydrophobicContact CB-CZ 4.04Å; F383-F420 HydrophobicContact CD2-CB 4.09Å; F383-F420 HydrophobicContact CD2-CD1 4.3Å; F383-F420 AromaticContact CD2-CD2 3.17Å; F383-F420 HydrophobicContact CD2-CD2 3.17Å; F383-F420 AromaticContact CD2-CE2 3.48Å; F383-F420 HydrophobicContact CD2-CE2 3.48Å; F383-F420 VanDerWaalsContact CD2-CE2 3.48Å; F383-F420 AromaticContact CD2-CG 3.6Å; F383-F420 HydrophobicContact CD2-CG 3.6Å; F383-F420 HydrophobicContact CD2-CZ 4.17Å; F383-F420 HydrophobicContact CE2-CB 4.38Å; F383-F420 AromaticContact CE2-CD2 3.69Å; F383-F420 HydrophobicContact CE2-CD2 3.69Å; F383-F420 HydrophobicContact CE2-CE2 4.25Å; F383-F420 HydrophobicContact CE2-CG 4.25Å; F383-F420 HydrophobicContact CG-CB 4.21Å; F383-F420 HydrophobicContact CG-CD1 4.26Å; F383-F420 AromaticContact CG-CD2 3.92Å; F383-F420 HydrophobicContact CG-CD2 3.92Å; F383-F420 HydrophobicContact CG-CE2 4.28Å; F383-F420 AromaticContact CG-CG 3.87Å; F383-F420 HydrophobicContact CG-CG 3.87Å; F383-F434 HydrophobicContact CE2-CE2 4.1Å
384	E	98.1	Very high	92.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	13%	0.125	C	C	.	.			trans	-85.2	134.1	-175.5	-175.4	59.2	-139.8	0	0	109.7	R47 Y303 R350 F351 L352 A379 H382	R47-E384 PolarHBondContact NH1-O 2.94Å; Y303-E384 WeakPolarHBondContact OH-CG 2.9Å; R350-E384 WeakPolarHBondContact CD-OE2 3.41Å; R350-E384 VanDerWaalsContact CG-OE2 3.26Å; R350-E384 WeakPolarHBondContact CG-OE2 3.26Å; R350-E384 IonicContact CZ-OE2 3.57Å; R350-E384 IonicContact NE-OE2 3.58Å; R350-E384 PolarHBondContact NE-OE2 2.85Å; R350-E384 IonicContact NH1-OE2 3.52Å; R350-E384 PolarHBondContact NH1-OE2 3.3Å; R350-E384 IonicContact NH2-OE2 2.81Å; F351-E384 WeakPolarHBondContact CA-OE1 3.28Å; F351-E384 PolarHBondContact N-OE1 2.91Å; F351-E384 VanDerWaalsContact N-OE1 3.15Å; L352-E384 HydrophobicContact CB-CG 4.13Å; L352-E384 PolarHBondContact N-OE1 3.13Å; A379-E384 HydrophobicContact CB-CB 4.08Å; A379-E384 PolarHBondContact O-N 3.42Å; H382-E384 PolarHBondContact O-N 3.07Å
385	S	98.7	Very high	92.6	Very high	3 Å²	3	29 Å²	29	2%	0.021	14%	0.136	C	C	.	.			trans	-79.4	148.2	170.9	-65.7	0	0	0	0	110.6	F46 F351 L352	F46-S385 PolarHBondContact N-OG 3.14Å; F46-S385 CarbonylContact O-C 3.21Å; F46-S385 VanDerWaalsContact O-CA 3.23Å; F46-S385 WeakPolarHBondContact O-CA 3.41Å; F46-S385 WeakPolarHBondContact O-CB 3.31Å; F351-S385 VanDerWaalsContact CD2-CB 3.46Å; L352-S385 PolarHBondContact N-O 3.23Å
386	W	98.2	Very high	92.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.1	179.5	58.8	-118.1	0	0	0	115.7	F46 R47 G48 L352 F355 L376 F388 F408	F46-W386 PolarHBondContact O-N 3.36Å; R47-W386 HydrophobicContact CB-CH2 4.21Å; R47-W386 HydrophobicContact CB-CZ2 4.18Å; R47-W386 VanDerWaalsContact CD-CZ2 3.49Å; R47-W386 HydrophobicContact CG-CZ2 4.35Å; G48-W386 PolarHBondContact N-O 2.68Å; G48-W386 VanDerWaalsContact O-CE3 3.24Å; G48-W386 WeakPolarHBondContact O-CZ3 3.31Å; L352-W386 HydrophobicContact CB-CB 3.96Å; L352-W386 HydrophobicContact CD2-CB 4.08Å; L352-W386 HydrophobicContact CG-CB 4.22Å; L352-W386 CarbonylContact O-C 3.57Å; L352-W386 WeakPolarHBondContact O-CA 3.5Å; F355-W386 HydrophobicContact CD1-CB 4.38Å; F355-W386 HydrophobicContact CE1-CB 3.82Å; F355-W386 AromaticContact CE1-CD2 3.89Å; F355-W386 HydrophobicContact CE1-CD2 3.89Å; F355-W386 AromaticContact CE1-CE3 3.82Å; F355-W386 HydrophobicContact CE1-CE3 3.82Å; F355-W386 AromaticContact CE1-CG 3.88Å; F355-W386 HydrophobicContact CE1-CG 3.88Å; F355-W386 HydrophobicContact CZ-CD2 4.09Å; F355-W386 HydrophobicContact CZ-CE3 4.04Å; F355-W386 HydrophobicContact CZ-CG 4.37Å; L376-W386 HydrophobicContact CD2-CD2 4.33Å; L376-W386 VanDerWaalsContact CD2-CE2 3.48Å; L376-W386 HydrophobicContact CD2-CH2 4.16Å; L376-W386 HydrophobicContact CD2-CZ2 3.42Å; L376-W386 VanDerWaalsContact CD2-CZ2 3.42Å; W386-F388 HydrophobicContact CE3-CB 4.41Å; W386-F388 HydrophobicContact CZ3-CB 4.3Å; W386-F408 HydrophobicContact CH2-CB 4.46Å; W386-F408 AromaticContact CH2-CD1 3.9Å; W386-F408 HydrophobicContact CH2-CD1 3.9Å; W386-F408 HydrophobicContact CZ3-CD1 4.11Å
387	T	98.2	Very high	91.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.3	165.2	39.3	0	0	0	0	109.8	G48 N50 V79 R81 F351 L352 T353 E354	G48-T387 WeakPolarHBondContact O-CA 3.46Å; N50-T387 PolarHBondContact ND2-O 2.84Å; V79-T387 HydrophobicContact CG1-CG2 3.75Å; R81-T387 HydrophobicContact CB-CG2 4.1Å; F351-T387 HydrophobicContact CE1-CG2 3.96Å; F351-T387 HydrophobicContact CZ-CG2 4.16Å; L352-T387 PolarHBondContact O-N 3.37Å; T353-T387 CarbonylContact C-O 3.57Å; T353-T387 VanDerWaalsContact C-OG1 3.24Å; T353-T387 VanDerWaalsContact CA-OG1 3.27Å; T353-T387 WeakPolarHBondContact CA-OG1 3.28Å; T353-T387 PolarHBondContact O-OG1 3.46Å; E354-T387 WeakPolarHBondContact CA-O 3.17Å
388	F	96.5	Very high	91.3	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.7	178.6	174.8	-124.3	0	0	0	111.8	G48 F49 N50 F355 C358 W386 F393 F408	G48-F388 PolarHBondContact O-N 2.91Å; F49-F388 CarbonylContact C-O 3.05Å; F49-F388 VanDerWaalsContact CA-O 3.3Å; F49-F388 WeakPolarHBondContact CA-O 3.31Å; N50-F388 PolarHBondContact N-O 3.25Å; N50-F388 PolarHBondContact ND2-O 3.41Å; N50-F388 VanDerWaalsContact ND2-O 3.11Å; F355-F388 HydrophobicContact CD2-CD2 4.08Å; F355-F388 HydrophobicContact CE1-CB 3.92Å; F355-F388 HydrophobicContact CE1-CD2 4.39Å; F355-F388 AromaticContact CE2-CD2 3.75Å; F355-F388 HydrophobicContact CE2-CD2 3.75Å; F355-F388 HydrophobicContact CE2-CE2 4.49Å; F355-F388 HydrophobicContact CZ-CB 3.87Å; F355-F388 AromaticContact CZ-CD2 3.93Å; F355-F388 HydrophobicContact CZ-CD2 3.93Å; F355-F388 HydrophobicContact CZ-CG 4.31Å; F355-F388 VanDerWaalsContact O-CD2 3.31Å; F355-F388 WeakPolarHBondContact O-CD2 3.34Å; C358-F388 WeakPolarHBondContact O-CZ 3.45Å; W386-F388 HydrophobicContact CE3-CB 4.41Å; W386-F388 HydrophobicContact CZ3-CB 4.3Å; F388-F393 HydrophobicContact CD1-CE1 4.15Å; F388-F393 AromaticContact CD1-CZ 3.92Å; F388-F393 HydrophobicContact CD1-CZ 3.92Å; F388-F408 HydrophobicContact CB-CD1 4.29Å; F388-F408 HydrophobicContact CB-CE1 3.73Å; F388-F408 HydrophobicContact CD1-CD1 4.45Å; F388-F408 AromaticContact CD1-CE1 3.79Å; F388-F408 HydrophobicContact CD1-CE1 3.79Å; F388-F408 AromaticContact CD1-CZ 3.81Å; F388-F408 HydrophobicContact CD1-CZ 3.81Å; F388-F408 AromaticContact CD2-CE1 3.46Å; F388-F408 HydrophobicContact CD2-CE1 3.46Å; F388-F408 VanDerWaalsContact CD2-CE1 3.46Å; F388-F408 AromaticContact CD2-CZ 3.48Å; F388-F408 HydrophobicContact CD2-CZ 3.48Å; F388-F408 VanDerWaalsContact CD2-CZ 3.48Å; F388-F408 HydrophobicContact CE1-CE1 4.25Å; F388-F408 HydrophobicContact CE1-CE2 4.26Å; F388-F408 AromaticContact CE1-CZ 3.79Å; F388-F408 HydrophobicContact CE1-CZ 3.79Å; F388-F408 AromaticContact CE2-CE1 3.96Å; F388-F408 HydrophobicContact CE2-CE1 3.96Å; F388-F408 HydrophobicContact CE2-CE2 4.46Å; F388-F408 AromaticContact CE2-CZ 3.45Å; F388-F408 HydrophobicContact CE2-CZ 3.45Å; F388-F408 VanDerWaalsContact CE2-CZ 3.45Å; F388-F408 HydrophobicContact CG-CD1 4.24Å; F388-F408 AromaticContact CG-CE1 3.37Å; F388-F408 HydrophobicContact CG-CE1 3.37Å; F388-F408 AromaticContact CG-CZ 3.67Å; F388-F408 HydrophobicContact CG-CZ 3.67Å; F388-F408 HydrophobicContact CZ-CE1 4.33Å; F388-F408 HydrophobicContact CZ-CE2 4.24Å; F388-F408 AromaticContact CZ-CZ 3.61Å; F388-F408 HydrophobicContact CZ-CZ 3.61Å
389	W	94	Very high	91	Very high	59 Å²	59	43.6 Å²	43.6	22%	0.223	23%	0.233	C	C	.	.	S	Bend	trans	-93.1	116.5	170.1	-174.3	-90.2	0	0	0	109.5	N50 V52 H123 Y306 E354 F355	N50-W389 HydrophobicContact CB-CD2 4.47Å; N50-W389 HydrophobicContact CB-CE3 3.53Å; N50-W389 HydrophobicContact CB-CZ3 3.84Å; V52-W389 HydrophobicContact CB-CH2 4.1Å; V52-W389 HydrophobicContact CB-CZ3 4.3Å; V52-W389 HydrophobicContact CG1-CH2 4.48Å; V52-W389 HydrophobicContact CG2-CH2 4.26Å; V52-W389 HydrophobicContact CG2-CZ3 3.96Å; H123-W389 AromaticContact CE1-CH2 3.5Å; H123-W389 AromaticContact CE1-CZ3 3.41Å; H123-W389 VanDerWaalsContact CE1-CZ3 3.41Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.34Å; H123-W389 AromaticContact NE2-CH2 3.39Å; H123-W389 WeakPolarHBondContact NE2-CH2 3.18Å; H123-W389 AromaticContact NE2-CZ3 3.83Å; Y306-W389 VanDerWaalsContact OH-CB 3.3Å; Y306-W389 WeakPolarHBondContact OH-CB 3.45Å; E354-W389 HydrophobicContact CB-CB 4.48Å; E354-W389 VanDerWaalsContact CD-CE3 3.49Å; E354-W389 HydrophobicContact CG-CE3 4.04Å; E354-W389 WeakPolarHBondContact OE1-CZ3 3.33Å; F355-W389 WeakPolarHBondContact O-CB 3.29Å; F355-W389 PolarHBondContact O-N 3.4Å
390	D	74.7	Confident	90.8	Very high	37 Å²	37	45.3 Å²	45.3	20%	0.198	24%	0.243	C	C	.	.	S	Bend	cis	-130.9	24.4	12.9	51.2	6.2	0	0	0	112	N50 Y392	N50-D390 CarbonylContact O-C 3.58Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.19Å; D390-Y392 WeakPolarHBondContact OD1-CE2 3.33Å; D390-Y392 VanDerWaalsContact OD1-CG 3.31Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.44Å; D390-Y392 PolarHBondContact OD2-OH 3.23Å
391	G	69.4	Low	90.6	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	26%	0.255	C	S	.	.			trans	78.8	26.4	172.8	0	0	0	0	0	115.7	F393	G391-F393 PolarHBondContact O-N 3.48Å
392	Y	80.2	Confident	90.4	Very high	146 Å²	146	48.3 Å²	48.3	57%	0.573	26%	0.26	S	S	*	.			trans	-67.8	48.7	173.8	-65.5	-42.6	0	0	0	115	D390 I394 I401 Q404	D390-Y392 WeakPolarHBondContact OD1-CD2 3.19Å; D390-Y392 WeakPolarHBondContact OD1-CE2 3.33Å; D390-Y392 VanDerWaalsContact OD1-CG 3.31Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.44Å; D390-Y392 PolarHBondContact OD2-OH 3.23Å; Y392-I394 PolarHBondContact O-N 3.29Å; Y392-I401 VanDerWaalsContact O-CD1 3.31Å; Y392-I401 WeakPolarHBondContact O-CD1 3.23Å; Y392-Q404 VanDerWaalsContact O-CD 3.25Å; Y392-Q404 PolarHBondContact O-NE2 3.45Å; Y392-Q404 PolarHBondContact O-OE1 3.24Å
393	F	88.5	Confident	90	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-71.6	-12.7	171.6	-55.7	-58.1	0	0	0	113.1	F49 F72 W75 L77 F388 G391 P400 I401 Q404 V405 F408	F49-F393 HydrophobicContact CB-CE2 3.86Å; F49-F393 HydrophobicContact CB-CZ 4.48Å; F49-F393 HydrophobicContact CD1-CD2 4.4Å; F49-F393 AromaticContact CD1-CE2 3.89Å; F49-F393 HydrophobicContact CD1-CE2 3.89Å; F49-F393 AromaticContact CG-CE2 3.99Å; F49-F393 HydrophobicContact CG-CE2 3.99Å; F72-F393 HydrophobicContact CE1-CD2 4.27Å; W75-F393 HydrophobicContact CE3-CB 4.35Å; W75-F393 HydrophobicContact CH2-CB 4.24Å; W75-F393 HydrophobicContact CZ3-CB 3.56Å; W75-F393 HydrophobicContact CZ3-CG 4.36Å; L77-F393 HydrophobicContact CD1-CD2 4.1Å; L77-F393 HydrophobicContact CD1-CE2 3.87Å; F388-F393 HydrophobicContact CD1-CE1 4.15Å; F388-F393 AromaticContact CD1-CZ 3.92Å; F388-F393 HydrophobicContact CD1-CZ 3.92Å; G391-F393 PolarHBondContact O-N 3.48Å; F393-P400 CarbonylContact O-C 3.43Å; F393-P400 WeakPolarHBondContact O-CA 3.3Å; F393-I401 PolarHBondContact O-N 3.1Å; F393-Q404 HydrophobicContact CD1-CB 4.35Å; F393-V405 HydrophobicContact CB-CG2 4.47Å; F393-F408 HydrophobicContact CD1-CB 4.49Å; F393-F408 HydrophobicContact CE1-CB 3.62Å; F393-F408 HydrophobicContact CE1-CD1 4.02Å; F393-F408 AromaticContact CE1-CD2 3.89Å; F393-F408 HydrophobicContact CE1-CD2 3.89Å; F393-F408 AromaticContact CE1-CG 3.58Å; F393-F408 HydrophobicContact CE1-CG 3.58Å; F393-F408 HydrophobicContact CZ-CB 4.22Å; F393-F408 HydrophobicContact CZ-CD1 4.22Å; F393-F408 HydrophobicContact CZ-CG 4.2Å
394	I	89.4	Confident	89.7	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.108	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-130.8	134.5	-171.1	-60.3	174.1	0	0	0	108.9	Q68 M71 F72 W75 Y392 G398 N399	Q68-I394 HydrophobicContact CB-CD1 4.04Å; Q68-I394 HydrophobicContact CG-CD1 3.53Å; M71-I394 HydrophobicContact CE-CD1 3.84Å; M71-I394 HydrophobicContact CE-CG1 3.99Å; M71-I394 HydrophobicContact SD-CD1 4.39Å; F72-I394 HydrophobicContact CD1-CD1 4.49Å; F72-I394 HydrophobicContact CE1-CD1 3.61Å; F72-I394 HydrophobicContact CE1-CG1 4.29Å; F72-I394 HydrophobicContact CZ-CD1 3.87Å; W75-I394 HydrophobicContact CH2-CD1 4.33Å; W75-I394 HydrophobicContact CH2-CG1 3.89Å; W75-I394 HydrophobicContact CZ3-CD1 4.34Å; W75-I394 HydrophobicContact CZ3-CG1 4.09Å; Y392-I394 PolarHBondContact O-N 3.29Å; I394-G398 VanDerWaalsContact CG2-CA 3.42Å; I394-N399 CarbonylContact C-O 3.45Å; I394-N399 VanDerWaalsContact CA-O 3.31Å; I394-N399 WeakPolarHBondContact CA-O 3.44Å
395	D	88.7	Confident	89.4	Confident	63 Å²	63	48.7 Å²	48.7	34%	0.337	27%	0.266	S	S	.	.			trans	-75.8	173	176.5	72.8	17.1	0	0	0	112.4	A397 G398 N399 I401	D395-A397 PolarHBondContact O-N 3.05Å; D395-A397 VanDerWaalsContact OD1-C 3.31Å; D395-A397 VanDerWaalsContact OD1-CA 3.29Å; D395-A397 WeakPolarHBondContact OD1-CA 3.36Å; D395-A397 WeakPolarHBondContact OD1-CB 3.47Å; D395-A397 PolarHBondContact OD1-N 3.32Å; D395-G398 PolarHBondContact O-N 3.25Å; D395-G398 PolarHBondContact OD1-N 3.4Å; D395-N399 PolarHBondContact N-O 3.16Å; D395-N399 PolarHBondContact OD1-N 3.48Å; D395-N399 WeakPolarHBondContact OD2-CB 3.45Å; D395-N399 PolarHBondContact OD2-ND2 2.99Å; D395-I401 HydrophobicContact CB-CD1 4.49Å; D395-I401 HydrophobicContact CB-CG1 4.21Å
396	N	85.4	Confident	89	Confident	181 Å²	181	54.2 Å²	54.2	97%	0.968	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.2	179.5	-67.6	-21.5	0	0	0	114.1
397	A	87.6	Confident	88.6	Confident	78 Å²	78	54.2 Å²	54.2	65%	0.645	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.2	176.4	0	0	0	0	0	112.6	D395 N399	D395-A397 PolarHBondContact O-N 3.05Å; D395-A397 VanDerWaalsContact OD1-C 3.31Å; D395-A397 VanDerWaalsContact OD1-CA 3.29Å; D395-A397 WeakPolarHBondContact OD1-CA 3.36Å; D395-A397 WeakPolarHBondContact OD1-CB 3.47Å; D395-A397 PolarHBondContact OD1-N 3.32Å; A397-N399 WeakPolarHBondContact CB-ND2 3.44Å
398	G	87.1	Confident	88.3	Confident	34 Å²	34	54.4 Å²	54.4	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	85	10.6	-179	0	0	0	0	0	114.1	I394 D395	I394-G398 VanDerWaalsContact CG2-CA 3.42Å; D395-G398 PolarHBondContact O-N 3.25Å; D395-G398 PolarHBondContact OD1-N 3.4Å
399	N	91.6	Very high	88.2	Confident	88 Å²	88	54.1 Å²	54.1	47%	0.471	29%	0.286	S	S	.	.			trans	-92.8	146.8	178.7	-52.4	-70	0	0	0	111.5	I394 D395 A397 I401	I394-N399 CarbonylContact C-O 3.45Å; I394-N399 VanDerWaalsContact CA-O 3.31Å; I394-N399 WeakPolarHBondContact CA-O 3.44Å; D395-N399 PolarHBondContact N-O 3.16Å; D395-N399 PolarHBondContact OD1-N 3.48Å; D395-N399 WeakPolarHBondContact OD2-CB 3.45Å; D395-N399 PolarHBondContact OD2-ND2 2.99Å; A397-N399 WeakPolarHBondContact CB-ND2 3.44Å; N399-I401 PolarHBondContact O-N 2.94Å
400	P	92.6	Very high	88.3	Confident	41 Å²	41	51.7 Å²	51.7	27%	0.266	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-62.9	132.7	174.4	-6.7	14.1	0	0	0	112.9	M71 W75 F393 Q402 V405	M71-P400 HydrophobicContact CE-CB 4.29Å; M71-P400 HydrophobicContact CE-CG 3.66Å; W75-P400 HydrophobicContact CH2-CB 3.81Å; W75-P400 HydrophobicContact CH2-CG 4.3Å; W75-P400 HydrophobicContact CZ2-CB 3.63Å; W75-P400 HydrophobicContact CZ2-CG 3.87Å; F393-P400 CarbonylContact O-C 3.43Å; F393-P400 WeakPolarHBondContact O-CA 3.3Å; P400-Q402 PolarHBondContact O-N 3.46Å; P400-Q402 VanDerWaalsContact O-N 3.09Å; P400-Q402 PolarHBondContact O-NE2 3.34Å; P400-V405 HydrophobicContact CB-CG2 3.92Å
401	I	92.9	Very high	89.4	Confident	51 Å²	51	49.9 Å²	49.9	26%	0.262	27%	0.267	S	S	.	.			trans	-76.4	95	166.8	-53.6	-171	0	0	0	107.7	Y392 F393 D395 N399 T403 Q404 V405	Y392-I401 VanDerWaalsContact O-CD1 3.31Å; Y392-I401 WeakPolarHBondContact O-CD1 3.23Å; F393-I401 PolarHBondContact O-N 3.1Å; D395-I401 HydrophobicContact CB-CD1 4.49Å; D395-I401 HydrophobicContact CB-CG1 4.21Å; N399-I401 PolarHBondContact O-N 2.94Å; I401-T403 VanDerWaalsContact C-N 3.25Å; I401-T403 PolarHBondContact O-N 3.46Å; I401-T403 VanDerWaalsContact O-N 3.13Å; I401-Q404 HydrophobicContact CB-CB 4.39Å; I401-Q404 HydrophobicContact CB-CG 4.45Å; I401-Q404 HydrophobicContact CG2-CB 4.32Å; I401-Q404 HydrophobicContact CG2-CG 3.98Å; I401-Q404 PolarHBondContact O-N 3.28Å; I401-Q404 VanDerWaalsContact O-N 3.11Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.04Å
402	Q	91.6	Very high	90.8	Very high	128 Å²	128	49.7 Å²	49.7	60%	0.598	26%	0.263	S	S	*	.	H	α-helix	trans	-55.1	-36.3	-167	-64.4	-61.3	-38.4	0	0	114.3	P400 R406	P400-Q402 PolarHBondContact O-N 3.46Å; P400-Q402 VanDerWaalsContact O-N 3.09Å; P400-Q402 PolarHBondContact O-NE2 3.34Å; Q402-R406 VanDerWaalsContact O-CB 3.27Å; Q402-R406 WeakPolarHBondContact O-CB 3.35Å; Q402-R406 PolarHBondContact O-N 2.96Å
403	T	90.1	Very high	91.6	Very high	46 Å²	46	42.8 Å²	42.8	28%	0.282	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-50	178.7	51.3	0	0	0	0	111.1	D360 I401 V405 R406 S407	D360-T403 WeakPolarHBondContact O-CB 3.35Å; D360-T403 PolarHBondContact O-OG1 3.21Å; D360-T403 VanDerWaalsContact OD2-O 3.09Å; I401-T403 VanDerWaalsContact C-N 3.25Å; I401-T403 PolarHBondContact O-N 3.46Å; I401-T403 VanDerWaalsContact O-N 3.13Å; T403-V405 PolarHBondContact O-N 3.01Å; T403-R406 PolarHBondContact O-N 3.08Å; T403-S407 PolarHBondContact O-N 3.49Å; T403-S407 VanDerWaalsContact O-N 3.14Å
404	Q	90.6	Very high	92.1	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.4	-64.8	-167.1	34.9	0	0	111.8	Y392 F393 I401 R406 S407 F408	Y392-Q404 VanDerWaalsContact O-CD 3.25Å; Y392-Q404 PolarHBondContact O-NE2 3.45Å; Y392-Q404 PolarHBondContact O-OE1 3.24Å; F393-Q404 HydrophobicContact CD1-CB 4.35Å; I401-Q404 HydrophobicContact CB-CB 4.39Å; I401-Q404 HydrophobicContact CB-CG 4.45Å; I401-Q404 HydrophobicContact CG2-CB 4.32Å; I401-Q404 HydrophobicContact CG2-CG 3.98Å; I401-Q404 PolarHBondContact O-N 3.28Å; I401-Q404 VanDerWaalsContact O-N 3.11Å; Q404-R406 VanDerWaalsContact C-N 3.3Å; Q404-R406 PolarHBondContact O-N 2.99Å; Q404-S407 PolarHBondContact O-N 3.47Å; Q404-S407 VanDerWaalsContact O-N 3.14Å; Q404-F408 VanDerWaalsContact O-CD2 3.31Å; Q404-F408 WeakPolarHBondContact O-CD2 3.41Å; Q404-F408 PolarHBondContact O-N 3.24Å
405	V	91.9	Very high	92.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-45.6	177.1	172.3	0	0	0	0	110.8	W75 F393 P400 I401 T403 S407 I409 V461	W75-V405 HydrophobicContact CH2-CG2 3.71Å; W75-V405 HydrophobicContact CZ2-CG1 4.34Å; W75-V405 HydrophobicContact CZ2-CG2 3.77Å; W75-V405 HydrophobicContact CZ3-CG2 4.13Å; F393-V405 HydrophobicContact CB-CG2 4.47Å; P400-V405 HydrophobicContact CB-CG2 3.92Å; I401-V405 WeakPolarHBondContact O-CG2 3.37Å; I401-V405 PolarHBondContact O-N 3.04Å; T403-V405 PolarHBondContact O-N 3.01Å; V405-S407 VanDerWaalsContact C-N 3.29Å; V405-S407 PolarHBondContact O-N 2.97Å; V405-I409 HydrophobicContact CB-CG1 4.45Å; V405-I409 HydrophobicContact CG1-CB 4.32Å; V405-I409 HydrophobicContact CG1-CG1 3.83Å; V405-I409 WeakPolarHBondContact O-CB 3.43Å; V405-I409 VanDerWaalsContact O-CG1 3.23Å; V405-I409 WeakPolarHBondContact O-CG1 3.44Å; V405-I409 PolarHBondContact O-N 3.38Å; V405-V461 HydrophobicContact CG1-CG1 4.19Å; V405-V461 HydrophobicContact CG1-CG2 3.82Å
406	R	90	Very high	92.9	Very high	118 Å²	118	40.6 Å²	40.6	45%	0.445	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-31.4	179.4	-175	177.6	175.5	-179.5	-1.5	113.6	Q402 T403 Q404 V461 H462	Q402-R406 VanDerWaalsContact O-CB 3.27Å; Q402-R406 WeakPolarHBondContact O-CB 3.35Å; Q402-R406 PolarHBondContact O-N 2.96Å; T403-R406 PolarHBondContact O-N 3.08Å; Q404-R406 VanDerWaalsContact C-N 3.3Å; Q404-R406 PolarHBondContact O-N 2.99Å; R406-V461 HydrophobicContact CB-CG1 4.35Å; R406-H462 PolarHBondContact O-CE1 2.8Å; R406-H462 PolarHBondContact O-NE2 3.31Å
407	S	89.4	Confident	93.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-82.6	-42.9	179.8	-83.9	0	0	0	0	113.1	D360 L376 T403 Q404 V405 R410	D360-S407 WeakPolarHBondContact CB-OG 3.43Å; D360-S407 VanDerWaalsContact CG-OG 3.25Å; D360-S407 PolarHBondContact OD2-OG 2.68Å; L376-S407 WeakPolarHBondContact CD1-O 3.26Å; T403-S407 PolarHBondContact O-N 3.49Å; T403-S407 VanDerWaalsContact O-N 3.14Å; Q404-S407 PolarHBondContact O-N 3.47Å; Q404-S407 VanDerWaalsContact O-N 3.14Å; V405-S407 VanDerWaalsContact C-N 3.29Å; V405-S407 PolarHBondContact O-N 2.97Å; S407-R410 WeakPolarHBondContact O-CG 3.43Å
408	F	93	Very high	93.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-86.7	-28.3	-174.1	-75.7	-96.6	0	0	0	114.2	F355 C372 L376 W386 F388 F393 Q404 R410	F355-F408 AromaticContact CE2-CE1 3.77Å; F355-F408 HydrophobicContact CE2-CE1 3.77Å; F355-F408 HydrophobicContact CE2-CZ 4.3Å; F355-F408 HydrophobicContact CZ-CD1 4.43Å; F355-F408 AromaticContact CZ-CE1 3.68Å; F355-F408 HydrophobicContact CZ-CE1 3.68Å; C372-F408 HydrophobicContact CB-CE2 4.43Å; C372-F408 HydrophobicContact CB-CZ 4.36Å; C372-F408 WeakPolarHBondContact SG-CZ 3.36Å; L376-F408 HydrophobicContact CD1-CD1 4.12Å; L376-F408 HydrophobicContact CD1-CE1 4.38Å; L376-F408 HydrophobicContact CD1-CG 4.25Å; L376-F408 HydrophobicContact CD2-CD1 4.06Å; L376-F408 HydrophobicContact CD2-CE1 4.3Å; W386-F408 HydrophobicContact CH2-CB 4.46Å; W386-F408 AromaticContact CH2-CD1 3.9Å; W386-F408 HydrophobicContact CH2-CD1 3.9Å; W386-F408 HydrophobicContact CZ3-CD1 4.11Å; F388-F408 HydrophobicContact CB-CD1 4.29Å; F388-F408 HydrophobicContact CB-CE1 3.73Å; F388-F408 HydrophobicContact CD1-CD1 4.45Å; F388-F408 AromaticContact CD1-CE1 3.79Å; F388-F408 HydrophobicContact CD1-CE1 3.79Å; F388-F408 AromaticContact CD1-CZ 3.81Å; F388-F408 HydrophobicContact CD1-CZ 3.81Å; F388-F408 AromaticContact CD2-CE1 3.46Å; F388-F408 HydrophobicContact CD2-CE1 3.46Å; F388-F408 VanDerWaalsContact CD2-CE1 3.46Å; F388-F408 AromaticContact CD2-CZ 3.48Å; F388-F408 HydrophobicContact CD2-CZ 3.48Å; F388-F408 VanDerWaalsContact CD2-CZ 3.48Å; F388-F408 HydrophobicContact CE1-CE1 4.25Å; F388-F408 HydrophobicContact CE1-CE2 4.26Å; F388-F408 AromaticContact CE1-CZ 3.79Å; F388-F408 HydrophobicContact CE1-CZ 3.79Å; F388-F408 AromaticContact CE2-CE1 3.96Å; F388-F408 HydrophobicContact CE2-CE1 3.96Å; F388-F408 HydrophobicContact CE2-CE2 4.46Å; F388-F408 AromaticContact CE2-CZ 3.45Å; F388-F408 HydrophobicContact CE2-CZ 3.45Å; F388-F408 VanDerWaalsContact CE2-CZ 3.45Å; F388-F408 HydrophobicContact CG-CD1 4.24Å; F388-F408 AromaticContact CG-CE1 3.37Å; F388-F408 HydrophobicContact CG-CE1 3.37Å; F388-F408 AromaticContact CG-CZ 3.67Å; F388-F408 HydrophobicContact CG-CZ 3.67Å; F388-F408 HydrophobicContact CZ-CE1 4.33Å; F388-F408 HydrophobicContact CZ-CE2 4.24Å; F388-F408 AromaticContact CZ-CZ 3.61Å; F388-F408 HydrophobicContact CZ-CZ 3.61Å; F393-F408 HydrophobicContact CD1-CB 4.49Å; F393-F408 HydrophobicContact CE1-CB 3.62Å; F393-F408 HydrophobicContact CE1-CD1 4.02Å; F393-F408 AromaticContact CE1-CD2 3.89Å; F393-F408 HydrophobicContact CE1-CD2 3.89Å; F393-F408 AromaticContact CE1-CG 3.58Å; F393-F408 HydrophobicContact CE1-CG 3.58Å; F393-F408 HydrophobicContact CZ-CB 4.22Å; F393-F408 HydrophobicContact CZ-CD1 4.22Å; F393-F408 HydrophobicContact CZ-CG 4.2Å; Q404-F408 VanDerWaalsContact O-CD2 3.31Å; Q404-F408 WeakPolarHBondContact O-CD2 3.41Å; Q404-F408 PolarHBondContact O-N 3.24Å; F408-R410 PolarHBondContact O-N 2.87Å; F408-R410 VanDerWaalsContact O-N 3.14Å
409	I	94.6	Very high	94	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.166	C	C	.	.			trans	-89.9	84.2	-174.2	-54.7	-42.8	0	0	0	110.2	W75 L77 V405 Y456 P458 V461 H462	W75-I409 HydrophobicContact CB-CD1 3.66Å; W75-I409 HydrophobicContact CB-CG1 3.85Å; W75-I409 HydrophobicContact CB-CG2 3.92Å; W75-I409 HydrophobicContact CD2-CG1 4.31Å; W75-I409 HydrophobicContact CG-CD1 4.22Å; W75-I409 HydrophobicContact CG-CG1 3.96Å; W75-I409 HydrophobicContact CG-CG2 4.29Å; W75-I409 WeakPolarHBondContact O-CG2 3.38Å; L77-I409 HydrophobicContact CD1-CD1 4.43Å; L77-I409 HydrophobicContact CD2-CD1 3.91Å; L77-I409 HydrophobicContact CG-CD1 4.18Å; V405-I409 HydrophobicContact CB-CG1 4.45Å; V405-I409 HydrophobicContact CG1-CB 4.32Å; V405-I409 HydrophobicContact CG1-CG1 3.83Å; V405-I409 WeakPolarHBondContact O-CB 3.43Å; V405-I409 VanDerWaalsContact O-CG1 3.23Å; V405-I409 WeakPolarHBondContact O-CG1 3.44Å; V405-I409 PolarHBondContact O-N 3.38Å; I409-Y456 HydrophobicContact CG2-CE1 3.93Å; I409-P458 HydrophobicContact CG2-CB 3.85Å; I409-V461 HydrophobicContact CB-CG2 4.4Å; I409-V461 HydrophobicContact CG2-CG2 4.05Å; I409-H462 PolarHBondContact O-CD2 2.59Å; I409-H462 PolarHBondContact O-NE2 3.3Å; I409-H462 VanDerWaalsContact O-NE2 3.07Å
410	R	95.8	Very high	94.2	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.026	15%	0.154	C	C	.	.			trans	-106.1	152.2	-170.8	-56.1	165.7	72.7	92.4	-8.9	110.9	D377 D380 S407 F408 Y412 F425 Y456	D377-R410 IonicContact OD1-CZ 2.58Å; D377-R410 IonicContact OD1-NH1 3.37Å; D377-R410 IonicContact OD1-NH2 3.61Å; D377-R410 PolarHBondContact OD1-NH2 2.88Å; D380-R410 IonicContact OD2-CZ 3.07Å; D380-R410 IonicContact OD2-NE 3.54Å; D380-R410 PolarHBondContact OD2-NE 3.03Å; D380-R410 IonicContact OD2-NH2 2.67Å; D380-R410 PolarHBondContact OD2-NH2 3.1Å; S407-R410 WeakPolarHBondContact O-CG 3.43Å; F408-R410 PolarHBondContact O-N 2.87Å; F408-R410 VanDerWaalsContact O-N 3.14Å; R410-Y412 WeakPolarHBondContact O-CD1 3.43Å; R410-F425 HydrophobicContact CB-CD1 3.79Å; R410-F425 HydrophobicContact CB-CE1 4.09Å; R410-F425 HydrophobicContact CB-CG 4.45Å; R410-F425 HydrophobicContact CG-CD1 3.67Å; R410-F425 HydrophobicContact CG-CE1 3.87Å; R410-F425 VanDerWaalsContact CZ-CD1 3.46Å; R410-F425 PolarHBondContact NH2-O 3Å; R410-Y456 WeakPolarHBondContact O-CD1 3.49Å
411	P	97.7	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.			trans	-62.8	136.4	165.5	28.4	-33.9	0	0	0	110.3	F425 Y432 Y456	P411-F425 VanDerWaalsContact CD-CE2 3.44Å; P411-F425 HydrophobicContact CG-CD2 3.43Å; P411-F425 VanDerWaalsContact CG-CD2 3.43Å; P411-F425 HydrophobicContact CG-CE2 3.64Å; P411-F425 HydrophobicContact CG-CG 3.97Å; P411-F425 HydrophobicContact CG-CZ 4.36Å; P411-Y432 HydrophobicContact CB-CD1 3.71Å; P411-Y432 HydrophobicContact CB-CD2 4.23Å; P411-Y432 HydrophobicContact CB-CE1 4.03Å; P411-Y432 HydrophobicContact CB-CG 3.8Å; P411-Y432 HydrophobicContact CG-CD1 3.91Å; P411-Y432 HydrophobicContact CG-CD2 3.69Å; P411-Y432 HydrophobicContact CG-CE2 4.34Å; P411-Y432 HydrophobicContact CG-CG 3.44Å; P411-Y432 VanDerWaalsContact CG-CG 3.44Å; P411-Y432 WeakPolarHBondContact O-CE2 3.27Å; P411-Y456 WeakPolarHBondContact CA-O 3.47Å
412	Y	98.2	Very high	94.7	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	156.5	179.8	79.6	-83	0	0	0	112	L45 R47 G76 N78 R410 Q414 I455 Y456	L45-Y412 HydrophobicContact CB-CD2 4.28Å; L45-Y412 HydrophobicContact CB-CE2 4.48Å; L45-Y412 HydrophobicContact CD2-CD2 4.01Å; L45-Y412 HydrophobicContact CG-CD2 4.23Å; R47-Y412 HydrophobicContact CB-CE1 4.23Å; R47-Y412 HydrophobicContact CB-CE2 4.36Å; R47-Y412 HydrophobicContact CG-CD1 4.06Å; R47-Y412 HydrophobicContact CG-CD2 3.79Å; R47-Y412 HydrophobicContact CG-CE1 3.91Å; R47-Y412 HydrophobicContact CG-CE2 3.61Å; R47-Y412 HydrophobicContact CG-CG 3.99Å; G76-Y412 WeakPolarHBondContact O-CE1 3.3Å; G76-Y412 PolarHBondContact O-OH 2.88Å; N78-Y412 VanDerWaalsContact CG-OH 3.31Å; N78-Y412 PolarHBondContact ND2-OH 3.41Å; R410-Y412 WeakPolarHBondContact O-CD1 3.43Å; Y412-Q414 HydrophobicContact CD2-CG 4.28Å; Y412-Q414 HydrophobicContact CE1-CG 4.15Å; Y412-Q414 HydrophobicContact CE2-CB 4.37Å; Y412-Q414 HydrophobicContact CE2-CG 3.49Å; Y412-Q414 VanDerWaalsContact CE2-CG 3.49Å; Y412-Q414 VanDerWaalsContact CZ-CG 3.41Å; Y412-Q414 PolarHBondContact O-N 2.85Å; Y412-Q414 WeakPolarHBondContact OH-CG 3.38Å; Y412-Q414 PolarHBondContact OH-NE2 3.2Å; Y412-Q414 VanDerWaalsContact OH-NE2 3.12Å; Y412-I455 WeakPolarHBondContact O-CA 3.24Å; Y412-I455 WeakPolarHBondContact O-CG2 3.5Å; Y412-Y456 AromaticContact CD1-CD1 3.91Å; Y412-Y456 HydrophobicContact CD1-CD1 3.91Å; Y412-Y456 HydrophobicContact CD1-CG 4.36Å; Y412-Y456 AromaticContact CE1-CD1 3.83Å; Y412-Y456 HydrophobicContact CE1-CD1 3.83Å; Y412-Y456 HydrophobicContact CE1-CG 4.07Å; Y412-Y456 PolarHBondContact N-O 3.18Å; Y412-Y456 PolarHBondContact O-N 2.81Å
413	P	98	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105.3	179.5	31.6	-30.6	0	0	0	111.3	L45 F383 S415 Y432 F434 E454 I455	L45-P413 VanDerWaalsContact CB-O 3.3Å; L45-P413 WeakPolarHBondContact CB-O 3.18Å; L45-P413 HydrophobicContact CD2-CG 4.18Å; F383-P413 HydrophobicContact CD2-CG 4.48Å; F383-P413 HydrophobicContact CE2-CG 3.42Å; F383-P413 VanDerWaalsContact CE2-CG 3.42Å; F383-P413 HydrophobicContact CZ-CG 3.87Å; P413-S415 VanDerWaalsContact C-N 3.34Å; P413-Y432 WeakPolarHBondContact CD-OH 3.39Å; P413-F434 HydrophobicContact CB-CD1 4.32Å; P413-F434 HydrophobicContact CB-CE1 3.7Å; P413-F434 HydrophobicContact CB-CE2 4.09Å; P413-F434 HydrophobicContact CB-CZ 3.57Å; P413-F434 HydrophobicContact CG-CD2 4.18Å; P413-F434 HydrophobicContact CG-CE1 4.18Å; P413-F434 HydrophobicContact CG-CE2 3.64Å; P413-F434 HydrophobicContact CG-CZ 3.64Å; P413-E454 CarbonylContact C-O 3.53Å; P413-I455 HydrophobicContact CB-CD1 3.57Å
414	Q	97.7	Very high	95.4	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.154	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-31.7	175.8	-76.5	-175.2	-33.5	0	0	112.6	K44 G76 Y412 E454	K44-Q414 VanDerWaalsContact CE-O 3.24Å; K44-Q414 WeakPolarHBondContact CE-O 3.17Å; K44-Q414 PolarHBondContact NZ-O 2.81Å; G76-Q414 PolarHBondContact O-NE2 2.74Å; Y412-Q414 HydrophobicContact CD2-CG 4.28Å; Y412-Q414 HydrophobicContact CE1-CG 4.15Å; Y412-Q414 HydrophobicContact CE2-CB 4.37Å; Y412-Q414 HydrophobicContact CE2-CG 3.49Å; Y412-Q414 VanDerWaalsContact CE2-CG 3.49Å; Y412-Q414 VanDerWaalsContact CZ-CG 3.41Å; Y412-Q414 PolarHBondContact O-N 2.85Å; Y412-Q414 WeakPolarHBondContact OH-CG 3.38Å; Y412-Q414 PolarHBondContact OH-NE2 3.2Å; Y412-Q414 VanDerWaalsContact OH-NE2 3.12Å; Q414-E454 PolarHBondContact N-O 2.98Å
415	S	97.2	Very high	95.7	Very high	2 Å²	2	33 Å²	33	1%	0.014	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.5	179	-47.4	0	0	0	0	109.6	I43 K44 P413 A453 E454	I43-S415 CarbonylContact O-C 3.48Å; I43-S415 WeakPolarHBondContact O-CA 3.4Å; K44-S415 PolarHBondContact NZ-OG 3.28Å; P413-S415 VanDerWaalsContact C-N 3.34Å; S415-A453 CarbonylContact O-C 3.6Å; S415-A453 VanDerWaalsContact O-CA 3.26Å; S415-A453 WeakPolarHBondContact O-CA 3.29Å; S415-E454 WeakPolarHBondContact CB-OE2 3.21Å; S415-E454 PolarHBondContact N-O 3.02Å; S415-E454 PolarHBondContact O-N 2.56Å; S415-E454 PolarHBondContact OG-OE2 2.72Å
416	T	97.1	Very high	95.7	Very high	3 Å²	3	35 Å²	35	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.7	174.4	-59.2	0	0	0	0	111.5	I43 G418 F434 F436	I43-T416 PolarHBondContact N-O 3.15Å; I43-T416 PolarHBondContact O-N 3.04Å; T416-G418 PolarHBondContact O-N 3.49Å; T416-F434 HydrophobicContact CG2-CZ 4.17Å; T416-F436 HydrophobicContact CG2-CB 3.99Å; T416-F436 HydrophobicContact CG2-CD1 4.09Å; T416-F436 HydrophobicContact CG2-CD2 3.38Å; T416-F436 HydrophobicContact CG2-CE1 4.41Å; T416-F436 HydrophobicContact CG2-CE2 3.76Å; T416-F436 HydrophobicContact CG2-CG 3.55Å; T416-F436 HydrophobicContact CG2-CZ 4.26Å
417	N	94.7	Very high	95.5	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	15%	0.145	C	C	.	.	S	Bend	trans	-92.5	75.9	172.6	-167.8	-15.2	0	0	0	110.3	Y42 T438 N439 L441 I452	Y42-N417 HydrophobicContact CD1-CB 3.83Å; Y42-N417 HydrophobicContact CE1-CB 3.67Å; Y42-N417 HydrophobicContact CG-CB 4.48Å; N417-T438 WeakPolarHBondContact O-CA 3.47Å; N417-N439 PolarHBondContact O-N 3.49Å; N417-N439 WeakPolarHBondContact OD1-CB 3.12Å; N417-N439 PolarHBondContact OD1-ND2 2.88Å; N417-N439 VanDerWaalsContact OD1-ND2 3.13Å; N417-L441 WeakPolarHBondContact ND2-CD2 3.32Å; N417-I452 PolarHBondContact N-O 3.38Å
418	G	93.7	Very high	95.4	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-172.6	-177.5	0	0	0	0	0	113.1	T416 I437	T416-G418 PolarHBondContact O-N 3.49Å; G418-I437 CarbonylContact C-O 3.49Å; G418-I437 WeakPolarHBondContact CA-O 3.32Å
419	R	95.2	Very high	95.4	Very high	160 Å²	160	40.1 Å²	40.1	60%	0.604	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.3	179	-173	178.4	67.7	-172	-1.1	110.5	F436 I437	R419-F436 CarbonylContact O-C 3.42Å; R419-F436 WeakPolarHBondContact O-CA 3.13Å; R419-F436 WeakPolarHBondContact O-CB 3.4Å; R419-I437 PolarHBondContact N-O 3.34Å; R419-I437 PolarHBondContact O-N 2.86Å
420	F	97.2	Very high	95.3	Very high	48 Å²	48	40 Å²	40	21%	0.211	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	139.9	172	173.3	-109.5	0	0	0	112.4	F383 K422 Q423 F434	F383-F420 HydrophobicContact CB-CD1 3.73Å; F383-F420 HydrophobicContact CB-CD2 4.14Å; F383-F420 HydrophobicContact CB-CE1 3.82Å; F383-F420 HydrophobicContact CB-CE2 4.21Å; F383-F420 HydrophobicContact CB-CG 3.87Å; F383-F420 HydrophobicContact CB-CZ 4.04Å; F383-F420 HydrophobicContact CD2-CB 4.09Å; F383-F420 HydrophobicContact CD2-CD1 4.3Å; F383-F420 AromaticContact CD2-CD2 3.17Å; F383-F420 HydrophobicContact CD2-CD2 3.17Å; F383-F420 AromaticContact CD2-CE2 3.48Å; F383-F420 HydrophobicContact CD2-CE2 3.48Å; F383-F420 VanDerWaalsContact CD2-CE2 3.48Å; F383-F420 AromaticContact CD2-CG 3.6Å; F383-F420 HydrophobicContact CD2-CG 3.6Å; F383-F420 HydrophobicContact CD2-CZ 4.17Å; F383-F420 HydrophobicContact CE2-CB 4.38Å; F383-F420 AromaticContact CE2-CD2 3.69Å; F383-F420 HydrophobicContact CE2-CD2 3.69Å; F383-F420 HydrophobicContact CE2-CE2 4.25Å; F383-F420 HydrophobicContact CE2-CG 4.25Å; F383-F420 HydrophobicContact CG-CB 4.21Å; F383-F420 HydrophobicContact CG-CD1 4.26Å; F383-F420 AromaticContact CG-CD2 3.92Å; F383-F420 HydrophobicContact CG-CD2 3.92Å; F383-F420 HydrophobicContact CG-CE2 4.28Å; F383-F420 AromaticContact CG-CG 3.87Å; F383-F420 HydrophobicContact CG-CG 3.87Å; F420-K422 VanDerWaalsContact CZ-CA 3.46Å; F420-Q423 HydrophobicContact CE2-CB 3.95Å; F420-Q423 HydrophobicContact CE2-CG 3.84Å; F420-Q423 HydrophobicContact CZ-CG 4.12Å; F420-F434 AromaticContact CD2-CE2 3.98Å; F420-F434 HydrophobicContact CD2-CE2 3.98Å; F420-F434 HydrophobicContact CE2-CE2 4.36Å
421	V	97.8	Very high	95.4	Very high	68 Å²	68	43.5 Å²	43.5	41%	0.412	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-59	172.2	176.7	0	0	0	0	110.8	S435 I437 L499	V421-S435 WeakPolarHBondContact CB-O 3.5Å; V421-S435 PolarHBondContact N-O 3.13Å; V421-I437 HydrophobicContact CG2-CD1 3.99Å; V421-I437 HydrophobicContact CG2-CG1 3.82Å; V421-L499 HydrophobicContact CG2-CD1 4.17Å
422	K	97.7	Very high	95.4	Very high	112 Å²	112	43.5 Å²	43.5	49%	0.487	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	152.9	177	56.8	172.9	-178.2	-177.5	0	110.5	F420 S435 E501	F420-K422 VanDerWaalsContact CZ-CA 3.46Å; K422-S435 WeakPolarHBondContact CE-OG 3.5Å; K422-S435 WeakPolarHBondContact CG-OG 3.14Å; K422-S435 PolarHBondContact N-O 2.8Å; K422-S435 PolarHBondContact N-OG 3.45Å; K422-S435 PolarHBondContact O-N 3Å; K422-S435 PolarHBondContact O-OG 3.36Å; K422-E501 IonicContact NZ-OE1 3.94Å
423	Q	98	Very high	95.4	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.3	162.7	68	-176.1	-27.7	0	0	109.5	D380 F420 Y432 S433 F434	D380-Q423 HydrophobicContact CB-CG 4.02Å; D380-Q423 WeakPolarHBondContact O-CG 3.28Å; D380-Q423 PolarHBondContact O-NE2 3.49Å; F420-Q423 HydrophobicContact CE2-CB 3.95Å; F420-Q423 HydrophobicContact CE2-CG 3.84Å; F420-Q423 HydrophobicContact CZ-CG 4.12Å; Q423-Y432 HydrophobicContact CB-CE2 4.35Å; Q423-S433 CarbonylContact C-O 3.48Å; Q423-S433 WeakPolarHBondContact CA-O 3.16Å; Q423-F434 HydrophobicContact CB-CD2 3.99Å
424	H	97.2	Very high	95.4	Very high	92 Å²	92	44.9 Å²	44.9	43%	0.426	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	134.5	172.8	177.9	63.8	0	0	0	109.4	Y432 S433	H424-Y432 WeakPolarHBondContact O-CA 3.18Å; H424-Y432 VanDerWaalsContact O-CD2 3.27Å; H424-Y432 WeakPolarHBondContact O-CD2 3.49Å; H424-S433 PolarHBondContact N-O 2.75Å; H424-S433 PolarHBondContact O-N 3.42Å
425	F	96.8	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.6	171.1	177.5	-122	0	0	0	109.8	R410 P411 H427 E431 Y432 H462	R410-F425 HydrophobicContact CB-CD1 3.79Å; R410-F425 HydrophobicContact CB-CE1 4.09Å; R410-F425 HydrophobicContact CB-CG 4.45Å; R410-F425 HydrophobicContact CG-CD1 3.67Å; R410-F425 HydrophobicContact CG-CE1 3.87Å; R410-F425 VanDerWaalsContact CZ-CD1 3.46Å; R410-F425 PolarHBondContact NH2-O 3Å; P411-F425 VanDerWaalsContact CD-CE2 3.44Å; P411-F425 HydrophobicContact CG-CD2 3.43Å; P411-F425 VanDerWaalsContact CG-CD2 3.43Å; P411-F425 HydrophobicContact CG-CE2 3.64Å; P411-F425 HydrophobicContact CG-CG 3.97Å; P411-F425 HydrophobicContact CG-CZ 4.36Å; F425-H427 HydrophobicContact CE1-CB 4.15Å; F425-E431 WeakPolarHBondContact CA-O 3.46Å; F425-E431 WeakPolarHBondContact CD2-O 3Å; F425-Y432 HydrophobicContact CB-CD2 3.91Å; F425-Y432 HydrophobicContact CD2-CD2 4.38Å; F425-H462 AromaticContact CE1-CE1 3.88Å; F425-H462 AromaticContact CE1-NE2 3.71Å; F425-H462 HydrophobicContact CZ-CB 4.47Å; F425-H462 AromaticContact CZ-CD2 3.68Å; F425-H462 AromaticContact CZ-CE1 3.63Å; F425-H462 AromaticContact CZ-CG 3.74Å; F425-H462 AromaticContact CZ-ND1 3.73Å; F425-H462 AromaticContact CZ-NE2 3.6Å
426	N	93.8	Very high	95.5	Very high	45 Å²	45	43.3 Å²	43.3	24%	0.241	21%	0.209	C	C	.	.			trans	-95.5	109.2	170.7	-176.6	-40.4	0	0	0	109	E428 T429 G430 E431	N426-E428 VanDerWaalsContact C-N 3.27Å; N426-E428 PolarHBondContact O-N 2.85Å; N426-E428 WeakPolarHBondContact OD1-CB 3.36Å; N426-E428 PolarHBondContact OD1-N 3.45Å; N426-T429 WeakPolarHBondContact CB-OG1 3.32Å; N426-T429 PolarHBondContact OD1-N 2.58Å; N426-T429 PolarHBondContact OD1-OG1 3.26Å; N426-G430 VanDerWaalsContact O-CA 3.27Å; N426-G430 WeakPolarHBondContact O-CA 3.3Å; N426-G430 PolarHBondContact O-N 3.26Å; N426-E431 HydrophobicContact CB-CB 4.39Å; N426-E431 PolarHBondContact N-O 3.09Å
427	H	85.5	Confident	95.5	Very high	43 Å²	43	45 Å²	45	20%	0.199	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	-176.2	68	-84.3	0	0	0	113.8	N373 F425	N373-H427 PolarHBondContact ND2-NE2 3.13Å; F425-H427 HydrophobicContact CE1-CB 4.15Å
428	E	86.4	Confident	95.4	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-56	178.6	-58.7	-174.5	164.1	0	0	110.4	N426 R506	N426-E428 VanDerWaalsContact C-N 3.27Å; N426-E428 PolarHBondContact O-N 2.85Å; N426-E428 WeakPolarHBondContact OD1-CB 3.36Å; N426-E428 PolarHBondContact OD1-N 3.45Å; E428-R506 PolarHBondContact O-NH1 3.06Å
429	T	92.6	Very high	95.2	Very high	65 Å²	65	46.9 Å²	46.9	40%	0.399	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-25.7	-174.5	66.7	0	0	0	0	112.7	N426 E431	N426-T429 WeakPolarHBondContact CB-OG1 3.32Å; N426-T429 PolarHBondContact OD1-N 2.58Å; N426-T429 PolarHBondContact OD1-OG1 3.26Å; T429-E431 VanDerWaalsContact OG1-CB 3.29Å; T429-E431 WeakPolarHBondContact OG1-CB 2.97Å; T429-E431 PolarHBondContact OG1-N 3.05Å; T429-E431 VanDerWaalsContact OG1-N 3.13Å
430	G	93.4	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.			trans	77.4	8	-169.5	0	0	0	0	0	113.4	N426 Y463	N426-G430 VanDerWaalsContact O-CA 3.27Å; N426-G430 WeakPolarHBondContact O-CA 3.3Å; N426-G430 PolarHBondContact O-N 3.26Å; G430-Y463 VanDerWaalsContact O-CE1 3.22Å; G430-Y463 WeakPolarHBondContact O-CE1 3.13Å; G430-Y463 PolarHBondContact O-OH 3.04Å
431	E	97.1	Very high	93.1	Very high	79 Å²	79	43.8 Å²	43.8	37%	0.369	22%	0.22	S	C	.	.			trans	-68.3	130.4	175.6	-171.4	-175.7	150.1	0	0	110	F425 N426 T429 L504	F425-E431 WeakPolarHBondContact CA-O 3.46Å; F425-E431 WeakPolarHBondContact CD2-O 3Å; N426-E431 HydrophobicContact CB-CB 4.39Å; N426-E431 PolarHBondContact N-O 3.09Å; T429-E431 VanDerWaalsContact OG1-CB 3.29Å; T429-E431 WeakPolarHBondContact OG1-CB 2.97Å; T429-E431 PolarHBondContact OG1-N 3.05Å; T429-E431 VanDerWaalsContact OG1-N 3.13Å; E431-L504 VanDerWaalsContact CA-O 3.32Å; E431-L504 WeakPolarHBondContact CA-O 3.31Å
432	Y	98.1	Very high	91.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.8	178.4	177.4	-121.8	0	0	0	110.3	P411 P413 Q423 H424 F425 F434 I455 M502 E503 L504	P411-Y432 HydrophobicContact CB-CD1 3.71Å; P411-Y432 HydrophobicContact CB-CD2 4.23Å; P411-Y432 HydrophobicContact CB-CE1 4.03Å; P411-Y432 HydrophobicContact CB-CG 3.8Å; P411-Y432 HydrophobicContact CG-CD1 3.91Å; P411-Y432 HydrophobicContact CG-CD2 3.69Å; P411-Y432 HydrophobicContact CG-CE2 4.34Å; P411-Y432 HydrophobicContact CG-CG 3.44Å; P411-Y432 VanDerWaalsContact CG-CG 3.44Å; P411-Y432 WeakPolarHBondContact O-CE2 3.27Å; P413-Y432 WeakPolarHBondContact CD-OH 3.39Å; Q423-Y432 HydrophobicContact CB-CE2 4.35Å; H424-Y432 WeakPolarHBondContact O-CA 3.18Å; H424-Y432 VanDerWaalsContact O-CD2 3.27Å; H424-Y432 WeakPolarHBondContact O-CD2 3.49Å; F425-Y432 HydrophobicContact CB-CD2 3.91Å; F425-Y432 HydrophobicContact CD2-CD2 4.38Å; Y432-F434 HydrophobicContact CE1-CB 3.92Å; Y432-I455 HydrophobicContact CE1-CG2 3.93Å; Y432-M502 HydrophobicContact CD1-CE 3.47Å; Y432-M502 VanDerWaalsContact CD1-CE 3.47Å; Y432-M502 HydrophobicContact CE1-CE 3.3Å; Y432-E503 CarbonylContact O-C 3.53Å; Y432-E503 VanDerWaalsContact O-CA 3.29Å; Y432-E503 WeakPolarHBondContact O-CA 3.37Å; Y432-L504 HydrophobicContact CD1-CD1 3.78Å; Y432-L504 HydrophobicContact CD1-CG 4.22Å; Y432-L504 PolarHBondContact N-O 3.38Å; Y432-L504 PolarHBondContact O-N 2.92Å
433	S	98.2	Very high	89.1	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.6	171.8	63.7	0	0	0	0	110.8	Q423 H424 M502	Q423-S433 CarbonylContact C-O 3.48Å; Q423-S433 WeakPolarHBondContact CA-O 3.16Å; H424-S433 PolarHBondContact N-O 2.75Å; H424-S433 PolarHBondContact O-N 3.42Å; S433-M502 CarbonylContact C-O 3.5Å; S433-M502 VanDerWaalsContact CA-O 3.29Å; S433-M502 WeakPolarHBondContact CA-O 3.26Å
434	F	98.6	Very high	87	Confident	3 Å²	3	51.6 Å²	51.6	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.7	176.4	178.2	-129.7	0	0	0	110.3	F383 P413 T416 F420 Q423 Y432 F436 I455 M502	F383-F434 HydrophobicContact CE2-CE2 4.1Å; P413-F434 HydrophobicContact CB-CD1 4.32Å; P413-F434 HydrophobicContact CB-CE1 3.7Å; P413-F434 HydrophobicContact CB-CE2 4.09Å; P413-F434 HydrophobicContact CB-CZ 3.57Å; P413-F434 HydrophobicContact CG-CD2 4.18Å; P413-F434 HydrophobicContact CG-CE1 4.18Å; P413-F434 HydrophobicContact CG-CE2 3.64Å; P413-F434 HydrophobicContact CG-CZ 3.64Å; T416-F434 HydrophobicContact CG2-CZ 4.17Å; F420-F434 AromaticContact CD2-CE2 3.98Å; F420-F434 HydrophobicContact CD2-CE2 3.98Å; F420-F434 HydrophobicContact CE2-CE2 4.36Å; Q423-F434 HydrophobicContact CB-CD2 3.99Å; Y432-F434 HydrophobicContact CE1-CB 3.92Å; F434-F436 AromaticContact CD1-CD1 3.92Å; F434-F436 HydrophobicContact CD1-CD1 3.92Å; F434-F436 HydrophobicContact CD1-CE1 4.21Å; F434-F436 AromaticContact CE1-CD1 3.28Å; F434-F436 HydrophobicContact CE1-CD1 3.28Å; F434-F436 AromaticContact CE1-CE1 3.66Å; F434-F436 HydrophobicContact CE1-CE1 3.66Å; F434-F436 HydrophobicContact CE1-CG 4.2Å; F434-F436 HydrophobicContact CZ-CB 4.13Å; F434-F436 AromaticContact CZ-CD1 3.67Å; F434-F436 HydrophobicContact CZ-CD1 3.67Å; F434-F436 HydrophobicContact CZ-CE1 4.43Å; F434-F436 HydrophobicContact CZ-CG 4.17Å; F434-I455 HydrophobicContact CD1-CD1 3.64Å; F434-I455 HydrophobicContact CE1-CD1 3.7Å; F434-M502 HydrophobicContact CB-CE 4.12Å; F434-M502 PolarHBondContact N-O 3.06Å; F434-M502 PolarHBondContact O-N 2.95Å
435	S	98.4	Very high	84.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145.3	172.7	60.5	0	0	0	0	112.8	V421 K422 V500	V421-S435 WeakPolarHBondContact CB-O 3.5Å; V421-S435 PolarHBondContact N-O 3.13Å; K422-S435 WeakPolarHBondContact CE-OG 3.5Å; K422-S435 WeakPolarHBondContact CG-OG 3.14Å; K422-S435 PolarHBondContact N-O 2.8Å; K422-S435 PolarHBondContact N-OG 3.45Å; K422-S435 PolarHBondContact O-N 3Å; K422-S435 PolarHBondContact O-OG 3.36Å; S435-V500 WeakPolarHBondContact CA-O 3.33Å; S435-V500 WeakPolarHBondContact CB-O 3.26Å
436	F	97.8	Very high	82.9	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.9	-179.9	66.7	-80.3	0	0	0	109.8	T416 R419 F434 T438 I452 A453 V500	T416-F436 HydrophobicContact CG2-CB 3.99Å; T416-F436 HydrophobicContact CG2-CD1 4.09Å; T416-F436 HydrophobicContact CG2-CD2 3.38Å; T416-F436 HydrophobicContact CG2-CE1 4.41Å; T416-F436 HydrophobicContact CG2-CE2 3.76Å; T416-F436 HydrophobicContact CG2-CG 3.55Å; T416-F436 HydrophobicContact CG2-CZ 4.26Å; R419-F436 CarbonylContact O-C 3.42Å; R419-F436 WeakPolarHBondContact O-CA 3.13Å; R419-F436 WeakPolarHBondContact O-CB 3.4Å; F434-F436 AromaticContact CD1-CD1 3.92Å; F434-F436 HydrophobicContact CD1-CD1 3.92Å; F434-F436 HydrophobicContact CD1-CE1 4.21Å; F434-F436 AromaticContact CE1-CD1 3.28Å; F434-F436 HydrophobicContact CE1-CD1 3.28Å; F434-F436 AromaticContact CE1-CE1 3.66Å; F434-F436 HydrophobicContact CE1-CE1 3.66Å; F434-F436 HydrophobicContact CE1-CG 4.2Å; F434-F436 HydrophobicContact CZ-CB 4.13Å; F434-F436 AromaticContact CZ-CD1 3.67Å; F434-F436 HydrophobicContact CZ-CD1 3.67Å; F434-F436 HydrophobicContact CZ-CE1 4.43Å; F434-F436 HydrophobicContact CZ-CG 4.17Å; F436-T438 HydrophobicContact CE2-CG2 3.93Å; F436-I452 HydrophobicContact CE2-CB 4.33Å; F436-I452 HydrophobicContact CE2-CD1 4.3Å; F436-I452 HydrophobicContact CZ-CB 4.3Å; F436-I452 HydrophobicContact CZ-CD1 3.82Å; F436-I452 HydrophobicContact CZ-CG1 4.09Å; F436-A453 HydrophobicContact CE1-CB 4Å; F436-A453 HydrophobicContact CZ-CB 3.82Å; F436-V500 HydrophobicContact CD1-CB 4.01Å; F436-V500 HydrophobicContact CD1-CG1 4.17Å; F436-V500 HydrophobicContact CE1-CB 3.65Å; F436-V500 HydrophobicContact CE1-CG1 3.47Å; F436-V500 VanDerWaalsContact CE1-CG1 3.47Å; F436-V500 HydrophobicContact CE1-CG2 4.31Å; F436-V500 HydrophobicContact CE2-CB 4.31Å; F436-V500 HydrophobicContact CE2-CG2 4.22Å; F436-V500 HydrophobicContact CG-CB 4.48Å; F436-V500 HydrophobicContact CZ-CB 3.82Å; F436-V500 HydrophobicContact CZ-CG1 3.84Å; F436-V500 HydrophobicContact CZ-CG2 3.96Å; F436-V500 PolarHBondContact N-O 2.84Å; F436-V500 VanDerWaalsContact N-O 3.08Å; F436-V500 PolarHBondContact O-N 3.4Å
437	I	96.5	Very high	81.6	Confident	39 Å²	39	63 Å²	63	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.7	174.6	-62.9	167	0	0	0	107.9	G418 R419 V421 H497 V498 L499	G418-I437 CarbonylContact C-O 3.49Å; G418-I437 WeakPolarHBondContact CA-O 3.32Å; R419-I437 PolarHBondContact N-O 3.34Å; R419-I437 PolarHBondContact O-N 2.86Å; V421-I437 HydrophobicContact CG2-CD1 3.99Å; V421-I437 HydrophobicContact CG2-CG1 3.82Å; I437-H497 HydrophobicContact CG2-CB 3.73Å; I437-V498 CarbonylContact C-O 3.58Å; I437-V498 WeakPolarHBondContact CA-O 3.28Å; I437-L499 HydrophobicContact CG1-CD1 4.01Å
438	T	94.3	Very high	81	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	146.5	-179.1	60.4	0	0	0	0	111.5	N417 F436 I452 L489 E496 H497 V498 V500	N417-T438 WeakPolarHBondContact O-CA 3.47Å; F436-T438 HydrophobicContact CE2-CG2 3.93Å; T438-I452 HydrophobicContact CG2-CD1 4.09Å; T438-I452 HydrophobicContact CG2-CG2 4.28Å; T438-L489 HydrophobicContact CG2-CD2 4.41Å; T438-E496 PolarHBondContact OG1-O 2.83Å; T438-H497 PolarHBondContact O-ND1 3.27Å; T438-V498 HydrophobicContact CG2-CB 4.3Å; T438-V498 PolarHBondContact N-O 3.05Å; T438-V498 PolarHBondContact OG1-N 2.6Å; T438-V500 HydrophobicContact CG2-CG2 3.79Å
439	N	87.7	Confident	80.7	Confident	63 Å²	63	67.1 Å²	67.1	34%	0.337	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-72.8	155.5	162.6	-66.3	-37.6	0	0	0	109.6	N417 L441	N417-N439 PolarHBondContact O-N 3.49Å; N417-N439 WeakPolarHBondContact OD1-CB 3.12Å; N417-N439 PolarHBondContact OD1-ND2 2.88Å; N417-N439 VanDerWaalsContact OD1-ND2 3.13Å; N439-L441 PolarHBondContact O-N 3.11Å
440	Q	78.2	Confident	80.4	Confident	123 Å²	123	64.7 Å²	64.7	58%	0.575	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-63.6	125.4	167.7	-72.7	-175.9	-33.4	0	0	109.1	N495	Q440-N495 PolarHBondContact NE2-O 2.86Å
441	L	70.5	Confident	80.4	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.099	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-90.3	117.3	-177.8	-62	174.2	0	0	0	108.2	N417 N439 N450 I452 L489 R494	N417-L441 WeakPolarHBondContact ND2-CD2 3.32Å; N439-L441 PolarHBondContact O-N 3.11Å; L441-N450 HydrophobicContact CD1-CB 3.52Å; L441-N450 WeakPolarHBondContact CD1-ND2 3.48Å; L441-I452 HydrophobicContact CD1-CG2 4.2Å; L441-L489 HydrophobicContact CD1-CD2 4.06Å; L441-R494 PolarHBondContact N-O 3.28Å; L441-R494 VanDerWaalsContact N-O 3.12Å
442	S	59.1	Low	80.2	Confident	77 Å²	77	62.7 Å²	62.7	54%	0.538	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-60.7	143.5	177.1	77.9	0	0	0	0	110.5	Q444	S442-Q444 PolarHBondContact O-N 3.44Å
443	N	53.6	Low	80.2	Confident	121 Å²	121	62.7 Å²	62.7	65%	0.647	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	16.3	-176.7	-76.6	-31.5	0	0	0	115.2	Y445	N443-Y445 VanDerWaalsContact C-N 3.29Å; N443-Y445 PolarHBondContact O-N 3.49Å
444	Q	52.9	Low	80.2	Confident	157 Å²	157	64 Å²	64	73%	0.734	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.4	-171.9	-73.2	-167.8	-31.4	0	0	114.5	S442	S442-Q444 PolarHBondContact O-N 3.44Å
445	Y	54	Low	80.1	Confident	134 Å²	134	63.8 Å²	63.8	53%	0.525	32%	0.322	S	S	.	.			trans	-115.8	122.8	179.8	-61.9	-76	0	0	0	112	N443 E447 R494	N443-Y445 VanDerWaalsContact C-N 3.29Å; N443-Y445 PolarHBondContact O-N 3.49Å; Y445-E447 PolarHBondContact O-N 3.43Å; Y445-E447 VanDerWaalsContact O-N 3.16Å; Y445-R494 PolarHBondContact O-NH1 2.88Å; Y445-R494 PolarHBondContact O-NH2 3.16Å
446	S	55.2	Low	80.1	Confident	129 Å²	129	64 Å²	64	90%	0.902	32%	0.323	S	S	*	.			trans	-76.1	13.3	174.8	62.3	0	0	0	0	113.5
447	E	66	Low	80.1	Confident	114 Å²	114	63.9 Å²	63.9	53%	0.533	32%	0.322	S	S	.	.			trans	-66.4	152.7	-179.4	-64.6	-174.4	172.1	0	0	110.5	Y445 Q449 T491 R494	Y445-E447 PolarHBondContact O-N 3.43Å; Y445-E447 VanDerWaalsContact O-N 3.16Å; E447-Q449 WeakPolarHBondContact CB-O 3.1Å; E447-Q449 PolarHBondContact O-N 2.96Å; E447-T491 VanDerWaalsContact O-CG2 3.27Å; E447-T491 WeakPolarHBondContact O-CG2 3.39Å; E447-R494 PolarHBondContact O-NH2 3.33Å
448	K	71.7	Confident	80.1	Confident	184 Å²	184	62 Å²	62	80%	0.8	31%	0.313	S	S	*	.	S	Bend	trans	-70.5	-25.6	-179.7	-72.5	-175.4	176.7	-179.5	0	112.8	T491	K448-T491 WeakPolarHBondContact O-CG2 3.46Å; K448-T491 PolarHBondContact O-OG1 3.1Å
449	Q	80.3	Confident	80.2	Confident	67 Å²	67	64.1 Å²	64.1	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.8	-179.3	-54.2	-176.2	-45.3	0	0	107.3	E447 T477 L489	E447-Q449 WeakPolarHBondContact CB-O 3.1Å; E447-Q449 PolarHBondContact O-N 2.96Å; Q449-T477 VanDerWaalsContact NE2-CG2 3.3Å; Q449-T477 PolarHBondContact NE2-OG1 3.18Å; Q449-T477 VanDerWaalsContact NE2-OG1 3.09Å; Q449-T477 PolarHBondContact OE1-OG1 3.18Å; Q449-L489 CarbonylContact C-O 3.56Å; Q449-L489 VanDerWaalsContact CA-O 3.29Å; Q449-L489 WeakPolarHBondContact CA-O 2.95Å
450	N	87.1	Confident	80.4	Confident	14 Å²	14	65.2 Å²	65.2	8%	0.075	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.3	174.7	-52.5	-66.8	0	0	0	110.1	L441 I452 Y488 L489 R494	L441-N450 HydrophobicContact CD1-CB 3.52Å; L441-N450 WeakPolarHBondContact CD1-ND2 3.48Å; N450-I452 PolarHBondContact O-N 3.22Å; N450-Y488 CarbonylContact O-C 3.56Å; N450-Y488 WeakPolarHBondContact O-CA 3.25Å; N450-L489 PolarHBondContact N-O 3.05Å; N450-L489 PolarHBondContact O-N 3.08Å; N450-R494 VanDerWaalsContact ND2-CG 3.32Å; N450-R494 WeakPolarHBondContact ND2-CG 3.49Å; N450-R494 PolarHBondContact ND2-NE 2.92Å; N450-R494 PolarHBondContact ND2-NH2 3.08Å; N450-R494 PolarHBondContact OD1-NH2 3.17Å
451	L	92.5	Very high	81.1	Confident	38 Å²	38	60.9 Å²	60.9	20%	0.199	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.2	168.4	-178.7	67	0	0	0	109.2	Y42 A453 E454 Y488	Y42-L451 HydrophobicContact CE1-CD2 4.46Å; Y42-L451 HydrophobicContact CE1-CG 4.26Å; Y42-L451 WeakPolarHBondContact OH-CB 3.06Å; Y42-L451 PolarHBondContact OH-O 3.09Å; L451-A453 WeakPolarHBondContact CD1-O 3.44Å; L451-E454 HydrophobicContact CD1-CG 4.14Å; L451-E454 HydrophobicContact CD2-CG 4.08Å; L451-Y488 HydrophobicContact CB-CD1 4.08Å; L451-Y488 HydrophobicContact CB-CE1 3.98Å; L451-Y488 HydrophobicContact CD1-CD1 4.39Å; L451-Y488 HydrophobicContact CD1-CE1 4.03Å
452	I	94.4	Very high	82.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-22.7	178.7	56.6	167.1	0	0	0	113.3	N417 F436 T438 L441 N450 L476 I487 L489 V500	N417-I452 PolarHBondContact N-O 3.38Å; F436-I452 HydrophobicContact CE2-CB 4.33Å; F436-I452 HydrophobicContact CE2-CD1 4.3Å; F436-I452 HydrophobicContact CZ-CB 4.3Å; F436-I452 HydrophobicContact CZ-CD1 3.82Å; F436-I452 HydrophobicContact CZ-CG1 4.09Å; T438-I452 HydrophobicContact CG2-CD1 4.09Å; T438-I452 HydrophobicContact CG2-CG2 4.28Å; L441-I452 HydrophobicContact CD1-CG2 4.2Å; N450-I452 PolarHBondContact O-N 3.22Å; I452-L476 HydrophobicContact CD1-CD2 4.02Å; I452-I487 HydrophobicContact CD1-CG2 3.94Å; I452-I487 HydrophobicContact CG1-CB 4.23Å; I452-I487 HydrophobicContact CG1-CG2 4.01Å; I452-I487 WeakPolarHBondContact CG1-O 3.38Å; I452-I487 PolarHBondContact N-O 3.04Å; I452-L489 HydrophobicContact CD1-CB 4.13Å; I452-L489 HydrophobicContact CG2-CB 3.58Å; I452-V500 HydrophobicContact CD1-CG2 3.82Å
453	A	96.8	Very high	84.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	150	173.4	0	0	0	0	0	111.4	S415 F436 L451 I455 S486 I487	S415-A453 CarbonylContact O-C 3.6Å; S415-A453 VanDerWaalsContact O-CA 3.26Å; S415-A453 WeakPolarHBondContact O-CA 3.29Å; F436-A453 HydrophobicContact CE1-CB 4Å; F436-A453 HydrophobicContact CZ-CB 3.82Å; L451-A453 WeakPolarHBondContact CD1-O 3.44Å; A453-I455 HydrophobicContact CB-CD1 4.02Å; A453-S486 WeakPolarHBondContact O-CA 3.42Å; A453-I487 HydrophobicContact CB-CB 4.45Å; A453-I487 HydrophobicContact CB-CD1 4.5Å; A453-I487 PolarHBondContact N-O 3.44Å; A453-I487 PolarHBondContact O-N 3.35Å
454	E	97.8	Very high	86	Confident	59 Å²	59	55.1 Å²	55.1	28%	0.276	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.7	166.5	-63.9	177.6	128.2	0	0	107.7	P413 Q414 S415 L451 T484 L485	P413-E454 CarbonylContact C-O 3.53Å; Q414-E454 PolarHBondContact N-O 2.98Å; S415-E454 WeakPolarHBondContact CB-OE2 3.21Å; S415-E454 PolarHBondContact N-O 3.02Å; S415-E454 PolarHBondContact O-N 2.56Å; S415-E454 PolarHBondContact OG-OE2 2.72Å; L451-E454 HydrophobicContact CD1-CG 4.14Å; L451-E454 HydrophobicContact CD2-CG 4.08Å; E454-T484 HydrophobicContact CB-CG2 3.99Å; E454-T484 HydrophobicContact CG-CG2 4.37Å; E454-L485 WeakPolarHBondContact CA-O 3.46Å
455	I	98.2	Very high	88	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.9	-178	-45.2	-59.4	0	0	0	108.2	Y412 P413 Y432 F434 A453 I457 L485 I487 M502	Y412-I455 WeakPolarHBondContact O-CA 3.24Å; Y412-I455 WeakPolarHBondContact O-CG2 3.5Å; P413-I455 HydrophobicContact CB-CD1 3.57Å; Y432-I455 HydrophobicContact CE1-CG2 3.93Å; F434-I455 HydrophobicContact CD1-CD1 3.64Å; F434-I455 HydrophobicContact CE1-CD1 3.7Å; A453-I455 HydrophobicContact CB-CD1 4.02Å; I455-I457 HydrophobicContact CB-CD1 4.24Å; I455-I457 HydrophobicContact CG2-CD1 3.81Å; I455-L485 HydrophobicContact CB-CB 4.34Å; I455-L485 PolarHBondContact N-O 3Å; I455-L485 PolarHBondContact O-N 2.89Å; I455-I487 HydrophobicContact CG1-CD1 4.16Å; I455-M502 HydrophobicContact CG1-CE 4.22Å; I455-M502 HydrophobicContact CG1-SD 4.2Å; I455-M502 HydrophobicContact CG2-CE 4.06Å
456	Y	98.1	Very high	90	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.3	168.6	172.3	-105.9	0	0	0	109.6	N74 W75 G76 I409 R410 P411 Y412 P458 N483	N74-Y456 VanDerWaalsContact O-CE2 3.31Å; N74-Y456 WeakPolarHBondContact O-CE2 3.42Å; N74-Y456 PolarHBondContact O-OH 3Å; W75-Y456 WeakPolarHBondContact CA-OH 3.45Å; W75-Y456 WeakPolarHBondContact O-CE1 3.37Å; W75-Y456 PolarHBondContact O-OH 3.09Å; G76-Y456 VanDerWaalsContact CA-CE2 3.44Å; I409-Y456 HydrophobicContact CG2-CE1 3.93Å; R410-Y456 WeakPolarHBondContact O-CD1 3.49Å; P411-Y456 WeakPolarHBondContact CA-O 3.47Å; Y412-Y456 AromaticContact CD1-CD1 3.91Å; Y412-Y456 HydrophobicContact CD1-CD1 3.91Å; Y412-Y456 HydrophobicContact CD1-CG 4.36Å; Y412-Y456 AromaticContact CE1-CD1 3.83Å; Y412-Y456 HydrophobicContact CE1-CD1 3.83Å; Y412-Y456 HydrophobicContact CE1-CG 4.07Å; Y412-Y456 PolarHBondContact N-O 3.18Å; Y412-Y456 PolarHBondContact O-N 2.81Å; Y456-P458 HydrophobicContact CE1-CB 3.66Å; Y456-P458 HydrophobicContact CE1-CG 4.19Å; Y456-P458 WeakPolarHBondContact OH-CA 3.36Å; Y456-N483 CarbonylContact C-O 3.44Å; Y456-N483 WeakPolarHBondContact CA-O 3.48Å; Y456-N483 HydrophobicContact CD2-CB 3.95Å; Y456-N483 HydrophobicContact CE2-CB 3.58Å
457	I	97.7	Very high	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.			trans	-117	111	178	-50.2	-58.2	0	0	0	108.5	I455 L459 Y463 Y467 L480 N483 L485 L504	I455-I457 HydrophobicContact CB-CD1 4.24Å; I455-I457 HydrophobicContact CG2-CD1 3.81Å; I457-L459 HydrophobicContact CG2-CD2 3.72Å; I457-L459 HydrophobicContact CG2-CG 4.25Å; I457-L459 PolarHBondContact O-N 2.93Å; I457-Y463 HydrophobicContact CG2-CD2 3.73Å; I457-Y463 HydrophobicContact CG2-CE2 4.01Å; I457-Y467 HydrophobicContact CG2-CD1 4.34Å; I457-Y467 HydrophobicContact CG2-CE1 4.03Å; I457-L480 HydrophobicContact CG1-CD1 4.28Å; I457-N483 PolarHBondContact N-O 3.29Å; I457-N483 VanDerWaalsContact O-CB 3.31Å; I457-N483 WeakPolarHBondContact O-CB 3.09Å; I457-L485 HydrophobicContact CD1-CB 4.09Å; I457-L485 HydrophobicContact CD1-CD2 4.19Å; I457-L485 HydrophobicContact CG1-CB 3.65Å; I457-L504 HydrophobicContact CD1-CD1 3.47Å; I457-L504 VanDerWaalsContact CD1-CD1 3.47Å
458	P	96.7	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.			trans	-77	70.8	-179.9	30.8	-37	0	0	0	112.4	I409 Y456 S460 V461 H462 Y463	I409-P458 HydrophobicContact CG2-CB 3.85Å; Y456-P458 HydrophobicContact CE1-CB 3.66Å; Y456-P458 HydrophobicContact CE1-CG 4.19Å; Y456-P458 WeakPolarHBondContact OH-CA 3.36Å; P458-S460 VanDerWaalsContact C-N 3.34Å; P458-S460 PolarHBondContact O-N 3.35Å; P458-V461 HydrophobicContact CB-CB 4.18Å; P458-V461 HydrophobicContact CB-CG2 4.45Å; P458-V461 PolarHBondContact O-N 2.89Å; P458-V461 VanDerWaalsContact O-N 3.1Å; P458-H462 HydrophobicContact CG-CB 4.26Å; P458-H462 PolarHBondContact O-N 3.12Å; P458-Y463 HydrophobicContact CG-CD2 4.4Å; P458-Y463 HydrophobicContact CG-CE2 4.06Å
459	L	96	Very high	94.6	Very high	44 Å²	44	34.7 Å²	34.7	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-53.3	-48.1	-174.6	-65.4	177.4	0	0	0	112.5	I457 V461 Y463 P464 Y467 L480 G482 N483	I457-L459 HydrophobicContact CG2-CD2 3.72Å; I457-L459 HydrophobicContact CG2-CG 4.25Å; I457-L459 PolarHBondContact O-N 2.93Å; L459-V461 VanDerWaalsContact C-N 3.28Å; L459-V461 PolarHBondContact O-N 3.21Å; L459-Y463 CarbonylContact O-C 3.55Å; L459-Y463 WeakPolarHBondContact O-CA 3.38Å; L459-Y463 PolarHBondContact O-N 3.26Å; L459-Y463 VanDerWaalsContact O-N 3.16Å; L459-P464 WeakPolarHBondContact O-CA 3.43Å; L459-Y467 HydrophobicContact CD2-CD1 4.09Å; L459-Y467 HydrophobicContact CD2-CE1 3.78Å; L459-L480 HydrophobicContact CD1-CD2 4.19Å; L459-L480 HydrophobicContact CD2-CD2 4.39Å; L459-G482 WeakPolarHBondContact CD1-O 3.36Å; L459-N483 WeakPolarHBondContact CD1-OD1 3.31Å; L459-N483 WeakPolarHBondContact CG-OD1 3.23Å
460	S	92.3	Very high	95.4	Very high	85 Å²	85	35.7 Å²	35.7	59%	0.594	21%	0.207	S	C	*	.	H	α-helix	trans	-72.8	-16.9	-176.9	59.6	0	0	0	0	114.4	P458	P458-S460 VanDerWaalsContact C-N 3.34Å; P458-S460 PolarHBondContact O-N 3.35Å
461	V	93	Very high	95.9	Very high	32 Å²	32	36.2 Å²	36.2	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-102.7	-49.5	-174.2	-175	0	0	0	0	110.9	V405 R406 I409 P458 L459	V405-V461 HydrophobicContact CG1-CG1 4.19Å; V405-V461 HydrophobicContact CG1-CG2 3.82Å; R406-V461 HydrophobicContact CB-CG1 4.35Å; I409-V461 HydrophobicContact CB-CG2 4.4Å; I409-V461 HydrophobicContact CG2-CG2 4.05Å; P458-V461 HydrophobicContact CB-CB 4.18Å; P458-V461 HydrophobicContact CB-CG2 4.45Å; P458-V461 PolarHBondContact O-N 2.89Å; P458-V461 VanDerWaalsContact O-N 3.1Å; L459-V461 VanDerWaalsContact C-N 3.28Å; L459-V461 PolarHBondContact O-N 3.21Å
462	H	94.9	Very high	96.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-115.8	-14.6	-172.8	-68.9	-68.1	0	0	0	114.6	R406 I409 F425 P458 P464 R506	R406-H462 PolarHBondContact O-CE1 2.8Å; R406-H462 PolarHBondContact O-NE2 3.31Å; I409-H462 PolarHBondContact O-CD2 2.59Å; I409-H462 PolarHBondContact O-NE2 3.3Å; I409-H462 VanDerWaalsContact O-NE2 3.07Å; F425-H462 AromaticContact CE1-CE1 3.88Å; F425-H462 AromaticContact CE1-NE2 3.71Å; F425-H462 HydrophobicContact CZ-CB 4.47Å; F425-H462 AromaticContact CZ-CD2 3.68Å; F425-H462 AromaticContact CZ-CE1 3.63Å; F425-H462 AromaticContact CZ-CG 3.74Å; F425-H462 AromaticContact CZ-ND1 3.73Å; F425-H462 AromaticContact CZ-NE2 3.6Å; P458-H462 HydrophobicContact CG-CB 4.26Å; P458-H462 PolarHBondContact O-N 3.12Å; H462-P464 VanDerWaalsContact C-CD 3.4Å; H462-R506 PolarHBondContact ND1-NH2 2.89Å; H462-R506 PolarHBondContact O-NE 3.41Å; H462-R506 PolarHBondContact O-NH2 2.73Å
463	Y	95.9	Very high	96.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.016	23%	0.227	C	C	.	.			trans	-132.3	45.9	-177	-48.1	-75.8	0	0	0	113.1	G430 I457 P458 L459 N465 G466 Y467 R506	G430-Y463 VanDerWaalsContact O-CE1 3.22Å; G430-Y463 WeakPolarHBondContact O-CE1 3.13Å; G430-Y463 PolarHBondContact O-OH 3.04Å; I457-Y463 HydrophobicContact CG2-CD2 3.73Å; I457-Y463 HydrophobicContact CG2-CE2 4.01Å; P458-Y463 HydrophobicContact CG-CD2 4.4Å; P458-Y463 HydrophobicContact CG-CE2 4.06Å; L459-Y463 CarbonylContact O-C 3.55Å; L459-Y463 WeakPolarHBondContact O-CA 3.38Å; L459-Y463 PolarHBondContact O-N 3.26Å; L459-Y463 VanDerWaalsContact O-N 3.16Å; Y463-N465 PolarHBondContact O-N 2.79Å; Y463-G466 WeakPolarHBondContact O-CA 3.36Å; Y463-G466 PolarHBondContact O-N 3.03Å; Y463-Y467 HydrophobicContact CG-CD1 4.39Å; Y463-R506 HydrophobicContact CD1-CB 4.2Å; Y463-R506 HydrophobicContact CD1-CG 4.46Å; Y463-R506 HydrophobicContact CE1-CB 4.37Å
464	P	94.3	Very high	95.9	Very high	91 Å²	91	46.6 Å²	46.6	59%	0.591	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.5	-174.7	26.9	-35.9	0	0	0	112.9	L459 H462	L459-P464 WeakPolarHBondContact O-CA 3.43Å; H462-P464 VanDerWaalsContact C-CD 3.4Å
465	N	95.5	Very high	95.5	Very high	131 Å²	131	46.9 Å²	46.9	70%	0.701	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	7.8	175.6	-57.7	-32.7	0	0	0	112.7	Y463	Y463-N465 PolarHBondContact O-N 2.79Å
466	G	94.9	Very high	95.3	Very high	21 Å²	21	47.5 Å²	47.5	22%	0.216	27%	0.273	C	S	.	.			trans	89.1	-176.3	-174.9	0	0	0	0	0	114.4	Y463 K507	Y463-G466 WeakPolarHBondContact O-CA 3.36Å; Y463-G466 PolarHBondContact O-N 3.03Å; G466-K507 PolarHBondContact O-N 3.3Å; G466-K507 VanDerWaalsContact O-N 3.14Å
467	Y	96.6	Very high	95.1	Very high	32 Å²	32	49.7 Å²	49.7	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.2	-178.1	62.9	-86.7	0	0	0	110.7	I457 L459 Y463 I469 L480 L504 V505 K507	I457-Y467 HydrophobicContact CG2-CD1 4.34Å; I457-Y467 HydrophobicContact CG2-CE1 4.03Å; L459-Y467 HydrophobicContact CD2-CD1 4.09Å; L459-Y467 HydrophobicContact CD2-CE1 3.78Å; Y463-Y467 HydrophobicContact CG-CD1 4.39Å; Y467-I469 HydrophobicContact CD2-CB 4.28Å; Y467-I469 HydrophobicContact CE2-CB 4.05Å; Y467-I469 HydrophobicContact CE2-CG2 4.34Å; Y467-L480 HydrophobicContact CE1-CD2 4.2Å; Y467-L504 HydrophobicContact CD2-CD2 3.69Å; Y467-L504 HydrophobicContact CE2-CD2 3.76Å; Y467-V505 CarbonylContact C-O 3.48Å; Y467-V505 VanDerWaalsContact CA-O 3.23Å; Y467-V505 WeakPolarHBondContact CA-O 3.4Å; Y467-V505 WeakPolarHBondContact CB-O 3.35Å; Y467-K507 WeakPolarHBondContact O-CE 3.47Å; Y467-K507 PolarHBondContact O-NZ 2.88Å
468	S	96.9	Very high	95	Very high	49 Å²	49	51.8 Å²	51.8	34%	0.343	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.5	160.3	52.4	0	0	0	0	109.8	L504 V505	S468-L504 WeakPolarHBondContact O-CA 3.47Å; S468-V505 PolarHBondContact N-O 3.17Å; S468-V505 PolarHBondContact O-N 3.41Å; S468-V505 PolarHBondContact OG-O 2.89Å
469	I	97	Very high	95	Very high	57 Å²	57	57 Å²	57	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.6	177.8	-177.5	171.9	0	0	0	110	Y467 L471 A478 L485 M502 E503 L504	Y467-I469 HydrophobicContact CD2-CB 4.28Å; Y467-I469 HydrophobicContact CE2-CB 4.05Å; Y467-I469 HydrophobicContact CE2-CG2 4.34Å; I469-L471 HydrophobicContact CD1-CD1 4.22Å; I469-L471 HydrophobicContact CD1-CD2 3.94Å; I469-L471 HydrophobicContact CD1-CG 4Å; I469-L471 HydrophobicContact CG1-CD2 4.22Å; I469-L471 HydrophobicContact CG1-CG 4.05Å; I469-A478 HydrophobicContact CD1-CB 4.45Å; I469-L485 HydrophobicContact CD1-CD1 4.43Å; I469-L485 HydrophobicContact CD1-CD2 3.51Å; I469-M502 HydrophobicContact CD1-CG 4.01Å; I469-M502 HydrophobicContact CD1-SD 4.01Å; I469-M502 HydrophobicContact CG1-CG 4.08Å; I469-E503 CarbonylContact C-O 3.57Å; I469-E503 WeakPolarHBondContact CA-O 3.26Å; I469-L504 HydrophobicContact CB-CD2 3.73Å; I469-L504 HydrophobicContact CD1-CD2 3.9Å; I469-L504 HydrophobicContact CG1-CD2 3.67Å
470	N	97.3	Very high	95	Very high	87 Å²	87	58.3 Å²	58.3	47%	0.465	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.2	167.7	-58.3	-38.6	0	0	0	108.3	M502 E503	N470-M502 WeakPolarHBondContact O-CA 3.36Å; N470-E503 HydrophobicContact CB-CB 4.26Å; N470-E503 PolarHBondContact N-O 3.45Å; N470-E503 PolarHBondContact ND2-OE2 3.37Å; N470-E503 PolarHBondContact O-N 2.86Å
471	L	97.3	Very high	95.2	Very high	26 Å²	26	62.2 Å²	62.2	14%	0.136	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.9	177	-68	172.6	0	0	0	109.5	I469 P473 N474 L476 A478 I487 E501 M502	I469-L471 HydrophobicContact CD1-CD1 4.22Å; I469-L471 HydrophobicContact CD1-CD2 3.94Å; I469-L471 HydrophobicContact CD1-CG 4Å; I469-L471 HydrophobicContact CG1-CD2 4.22Å; I469-L471 HydrophobicContact CG1-CG 4.05Å; L471-P473 CarbonylContact O-C 3.49Å; L471-N474 PolarHBondContact O-OD1 2.96Å; L471-N474 VanDerWaalsContact O-OD1 3.1Å; L471-L476 HydrophobicContact CB-CB 4.27Å; L471-L476 HydrophobicContact CB-CD1 4.31Å; L471-L476 HydrophobicContact CD1-CB 4.15Å; L471-A478 HydrophobicContact CD1-CB 3.81Å; L471-I487 HydrophobicContact CD2-CD1 4.05Å; L471-E501 WeakPolarHBondContact CA-O 3.28Å; L471-M502 HydrophobicContact CD2-CB 3.86Å; L471-M502 HydrophobicContact CD2-CG 3.71Å
472	N	95.9	Very high	95.2	Very high	73 Å²	73	63.3 Å²	63.3	39%	0.39	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.4	171.8	-177.3	35.6	0	0	0	108.5	V500 E501	N472-V500 WeakPolarHBondContact O-CA 3.46Å; N472-E501 HydrophobicContact CB-CB 4.17Å; N472-E501 PolarHBondContact N-O 2.98Å; N472-E501 PolarHBondContact ND2-OE2 3.22Å; N472-E501 PolarHBondContact O-N 2.61Å
473	P	94.5	Very high	95.3	Very high	28 Å²	28	64.9 Å²	64.9	18%	0.182	37%	0.368	C	S	.	.	S	Bend	cis	-67.1	152	-3.5	28.3	-35.3	0	0	0	113.8	L471 N475 L476 L493 V498	L471-P473 CarbonylContact O-C 3.49Å; P473-N475 WeakPolarHBondContact CB-OD1 3.22Å; P473-N475 WeakPolarHBondContact CG-OD1 3.32Å; P473-N475 PolarHBondContact O-N 3.4Å; P473-L476 HydrophobicContact CG-CD1 4.45Å; P473-L476 HydrophobicContact CG-CG 4.12Å; P473-L476 WeakPolarHBondContact O-CB 3.35Å; P473-L476 VanDerWaalsContact O-CG 3.27Å; P473-L476 WeakPolarHBondContact O-CG 3.45Å; P473-L476 PolarHBondContact O-N 3.37Å; P473-L476 VanDerWaalsContact O-N 3.12Å; P473-L493 HydrophobicContact CG-CD1 4.1Å; P473-V498 HydrophobicContact CG-CG1 3.86Å
474	N	92.2	Very high	95.3	Very high	155 Å²	155	66.6 Å²	66.6	83%	0.829	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.1	-174.5	-63.9	-5.2	0	0	0	114.6	L471	L471-N474 PolarHBondContact O-OD1 2.96Å; L471-N474 VanDerWaalsContact O-OD1 3.1Å
475	N	90.8	Very high	95.5	Very high	65 Å²	65	62.4 Å²	62.4	35%	0.348	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-4	177.3	66.9	-17.5	0	0	0	113.2	P473 P490 L493	P473-N475 WeakPolarHBondContact CB-OD1 3.22Å; P473-N475 WeakPolarHBondContact CG-OD1 3.32Å; P473-N475 PolarHBondContact O-N 3.4Å; N475-P490 HydrophobicContact CB-CG 4.35Å; N475-P490 WeakPolarHBondContact O-CG 3.39Å; N475-L493 WeakPolarHBondContact ND2-CD1 3.14Å
476	L	93.2	Very high	95.6	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.063	32%	0.323	C	S	.	.			trans	-61.1	143.8	168.5	-64.6	174.1	0	0	0	110.4	I452 L471 P473 I487 Y488 L489 V500	I452-L476 HydrophobicContact CD1-CD2 4.02Å; L471-L476 HydrophobicContact CB-CB 4.27Å; L471-L476 HydrophobicContact CB-CD1 4.31Å; L471-L476 HydrophobicContact CD1-CB 4.15Å; P473-L476 HydrophobicContact CG-CD1 4.45Å; P473-L476 HydrophobicContact CG-CG 4.12Å; P473-L476 WeakPolarHBondContact O-CB 3.35Å; P473-L476 VanDerWaalsContact O-CG 3.27Å; P473-L476 WeakPolarHBondContact O-CG 3.45Å; P473-L476 PolarHBondContact O-N 3.37Å; P473-L476 VanDerWaalsContact O-N 3.12Å; L476-I487 HydrophobicContact CB-CG2 4.45Å; L476-I487 HydrophobicContact CD1-CG2 4.37Å; L476-Y488 WeakPolarHBondContact CD2-O 2.94Å; L476-L489 HydrophobicContact CD2-CD1 3.65Å; L476-V500 HydrophobicContact CD1-CB 4.43Å; L476-V500 HydrophobicContact CD1-CG1 3.7Å; L476-V500 HydrophobicContact CD1-CG2 4.16Å
477	T	94.3	Very high	95.7	Very high	51 Å²	51	55.9 Å²	55.9	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148.7	171	49.7	0	0	0	0	109.7	Q449 I487 Y488	Q449-T477 VanDerWaalsContact NE2-CG2 3.3Å; Q449-T477 PolarHBondContact NE2-OG1 3.18Å; Q449-T477 VanDerWaalsContact NE2-OG1 3.09Å; Q449-T477 PolarHBondContact OE1-OG1 3.18Å; T477-I487 WeakPolarHBondContact O-CA 3.45Å; T477-Y488 PolarHBondContact N-O 3.16Å; T477-Y488 PolarHBondContact O-N 3.2Å; T477-Y488 WeakPolarHBondContact OG1-CB 3.41Å
478	A	95.8	Very high	95.6	Very high	43 Å²	43	57 Å²	57	36%	0.355	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142	173.6	0	0	0	0	0	111.2	I469 L471 L485 S486 I487	I469-A478 HydrophobicContact CD1-CB 4.45Å; L471-A478 HydrophobicContact CD1-CB 3.81Å; A478-L485 HydrophobicContact CB-CD1 3.88Å; A478-L485 HydrophobicContact CB-CG 4.41Å; A478-S486 CarbonylContact C-O 3.6Å; A478-S486 WeakPolarHBondContact CA-O 3.47Å; A478-I487 HydrophobicContact CB-CG1 4.43Å
479	E	96.4	Very high	95.3	Very high	110 Å²	110	54.6 Å²	54.6	51%	0.514	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.3	178.3	-173.7	-177.8	176.7	0	0	108.8	L485 S486 Y488	E479-L485 WeakPolarHBondContact O-CA 3.15Å; E479-S486 PolarHBondContact N-O 2.9Å; E479-S486 PolarHBondContact O-N 2.95Å; E479-Y488 HydrophobicContact CB-CE2 4.09Å
480	L	96.5	Very high	94.8	Very high	71 Å²	71	52.5 Å²	52.5	37%	0.372	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.1	175.8	-178.8	72	0	0	0	109.4	I457 L459 Y467 L485	I457-L480 HydrophobicContact CG1-CD1 4.28Å; L459-L480 HydrophobicContact CD1-CD2 4.19Å; L459-L480 HydrophobicContact CD2-CD2 4.39Å; Y467-L480 HydrophobicContact CE1-CD2 4.2Å; L480-L485 HydrophobicContact CB-CD1 4.25Å; L480-L485 HydrophobicContact CD1-CB 4.18Å
481	K	95	Very high	93.9	Very high	168 Å²	168	51.5 Å²	51.5	73%	0.73	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	110	172.2	-174.7	179.2	178.1	-177.1	0	109.4	N483 T484	K481-N483 PolarHBondContact O-N 3.19Å; K481-T484 PolarHBondContact N-O 2.85Å; K481-T484 PolarHBondContact O-N 3.33Å; K481-T484 VanDerWaalsContact O-N 3.08Å
482	G	94.1	Very high	93.1	Very high	55 Å²	55	55.7 Å²	55.7	57%	0.567	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-123	-170.6	0	0	0	0	0	110.3	L459	L459-G482 WeakPolarHBondContact CD1-O 3.36Å
483	N	96.1	Very high	92.2	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.182	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	9.2	176.4	-69.1	-20	0	0	0	113.1	N74 Y456 I457 L459 K481	N74-N483 PolarHBondContact O-ND2 3.04Å; Y456-N483 CarbonylContact C-O 3.44Å; Y456-N483 WeakPolarHBondContact CA-O 3.48Å; Y456-N483 HydrophobicContact CD2-CB 3.95Å; Y456-N483 HydrophobicContact CE2-CB 3.58Å; I457-N483 PolarHBondContact N-O 3.29Å; I457-N483 VanDerWaalsContact O-CB 3.31Å; I457-N483 WeakPolarHBondContact O-CB 3.09Å; L459-N483 WeakPolarHBondContact CD1-OD1 3.31Å; L459-N483 WeakPolarHBondContact CG-OD1 3.23Å; K481-N483 PolarHBondContact O-N 3.19Å
484	T	97.1	Very high	91.1	Very high	39 Å²	39	53.1 Å²	53.1	24%	0.239	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.2	-178.6	-56.6	0	0	0	0	110.2	E454 K481	E454-T484 HydrophobicContact CB-CG2 3.99Å; E454-T484 HydrophobicContact CG-CG2 4.37Å; K481-T484 PolarHBondContact N-O 2.85Å; K481-T484 PolarHBondContact O-N 3.33Å; K481-T484 VanDerWaalsContact O-N 3.08Å
485	L	97.8	Very high	90.1	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.8	172.5	-179.8	76.2	0	0	0	109.4	E454 I455 I457 I469 A478 E479 L480 M502	E454-L485 WeakPolarHBondContact CA-O 3.46Å; I455-L485 HydrophobicContact CB-CB 4.34Å; I455-L485 PolarHBondContact N-O 3Å; I455-L485 PolarHBondContact O-N 2.89Å; I457-L485 HydrophobicContact CD1-CB 4.09Å; I457-L485 HydrophobicContact CD1-CD2 4.19Å; I457-L485 HydrophobicContact CG1-CB 3.65Å; I469-L485 HydrophobicContact CD1-CD1 4.43Å; I469-L485 HydrophobicContact CD1-CD2 3.51Å; A478-L485 HydrophobicContact CB-CD1 3.88Å; A478-L485 HydrophobicContact CB-CG 4.41Å; E479-L485 WeakPolarHBondContact O-CA 3.15Å; L480-L485 HydrophobicContact CB-CD1 4.25Å; L480-L485 HydrophobicContact CD1-CB 4.18Å; L485-M502 HydrophobicContact CD2-SD 3.69Å
486	S	97.6	Very high	89.4	Confident	15 Å²	15	53.1 Å²	53.1	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.4	175.2	-61.7	0	0	0	0	109.8	A453 A478 E479	A453-S486 WeakPolarHBondContact O-CA 3.42Å; A478-S486 CarbonylContact C-O 3.6Å; A478-S486 WeakPolarHBondContact CA-O 3.47Å; E479-S486 PolarHBondContact N-O 2.9Å; E479-S486 PolarHBondContact O-N 2.95Å
487	I	96.6	Very high	89.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.2	176.2	-55.3	175.1	0	0	0	108.6	I452 A453 I455 L471 L476 T477 A478 M502	I452-I487 HydrophobicContact CD1-CG2 3.94Å; I452-I487 HydrophobicContact CG1-CB 4.23Å; I452-I487 HydrophobicContact CG1-CG2 4.01Å; I452-I487 WeakPolarHBondContact CG1-O 3.38Å; I452-I487 PolarHBondContact N-O 3.04Å; A453-I487 HydrophobicContact CB-CB 4.45Å; A453-I487 HydrophobicContact CB-CD1 4.5Å; A453-I487 PolarHBondContact N-O 3.44Å; A453-I487 PolarHBondContact O-N 3.35Å; I455-I487 HydrophobicContact CG1-CD1 4.16Å; L471-I487 HydrophobicContact CD2-CD1 4.05Å; L476-I487 HydrophobicContact CB-CG2 4.45Å; L476-I487 HydrophobicContact CD1-CG2 4.37Å; T477-I487 WeakPolarHBondContact O-CA 3.45Å; A478-I487 HydrophobicContact CB-CG1 4.43Å; I487-M502 HydrophobicContact CD1-SD 3.83Å
488	Y	94.4	Very high	89.1	Confident	54 Å²	54	56.2 Å²	56.2	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	-177.8	-54.7	-98.6	0	0	0	112.4	N450 L451 L476 T477 E479	N450-Y488 CarbonylContact O-C 3.56Å; N450-Y488 WeakPolarHBondContact O-CA 3.25Å; L451-Y488 HydrophobicContact CB-CD1 4.08Å; L451-Y488 HydrophobicContact CB-CE1 3.98Å; L451-Y488 HydrophobicContact CD1-CD1 4.39Å; L451-Y488 HydrophobicContact CD1-CE1 4.03Å; L476-Y488 WeakPolarHBondContact CD2-O 2.94Å; T477-Y488 PolarHBondContact N-O 3.16Å; T477-Y488 PolarHBondContact O-N 3.2Å; T477-Y488 WeakPolarHBondContact OG1-CB 3.41Å; E479-Y488 HydrophobicContact CB-CE2 4.09Å
489	L	91.1	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.3	172.1	-168.3	69	0	0	0	110.2	T438 L441 Q449 N450 I452 L476 L493 V498	T438-L489 HydrophobicContact CG2-CD2 4.41Å; L441-L489 HydrophobicContact CD1-CD2 4.06Å; Q449-L489 CarbonylContact C-O 3.56Å; Q449-L489 VanDerWaalsContact CA-O 3.29Å; Q449-L489 WeakPolarHBondContact CA-O 2.95Å; N450-L489 PolarHBondContact N-O 3.05Å; N450-L489 PolarHBondContact O-N 3.08Å; I452-L489 HydrophobicContact CD1-CB 4.13Å; I452-L489 HydrophobicContact CG2-CB 3.58Å; L476-L489 HydrophobicContact CD2-CD1 3.65Å; L489-L493 HydrophobicContact CD1-CB 3.82Å; L489-L493 HydrophobicContact CD1-CD1 3.88Å; L489-L493 HydrophobicContact CD2-CB 4.16Å; L489-L493 HydrophobicContact CG-CB 3.95Å; L489-V498 HydrophobicContact CD1-CB 4.39Å; L489-V498 HydrophobicContact CD1-CG1 4.42Å; L489-V498 HydrophobicContact CD1-CG2 4.23Å
490	P	87.2	Confident	89.2	Confident	12 Å²	12	52.7 Å²	52.7	8%	0.078	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	155.2	169.9	-29.2	38.6	0	0	0	114	N475 D492 L493	N475-P490 HydrophobicContact CB-CG 4.35Å; N475-P490 WeakPolarHBondContact O-CG 3.39Å; P490-D492 VanDerWaalsContact C-N 3.3Å; P490-D492 WeakPolarHBondContact CB-OD1 3.25Å; P490-D492 PolarHBondContact O-N 3.25Å; P490-L493 PolarHBondContact O-N 3.39Å
491	T	78.3	Confident	89.2	Confident	67 Å²	67	52.4 Å²	52.4	41%	0.411	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.4	-33.2	-177.2	21.9	0	0	0	0	113.9	E447 K448 L493 R494	E447-T491 VanDerWaalsContact O-CG2 3.27Å; E447-T491 WeakPolarHBondContact O-CG2 3.39Å; K448-T491 WeakPolarHBondContact O-CG2 3.46Å; K448-T491 PolarHBondContact O-OG1 3.1Å; T491-L493 VanDerWaalsContact C-N 3.26Å; T491-L493 PolarHBondContact O-N 3.28Å; T491-R494 VanDerWaalsContact CG2-NE 3.32Å; T491-R494 WeakPolarHBondContact O-CD 3.3Å; T491-R494 VanDerWaalsContact O-CG 3.24Å; T491-R494 WeakPolarHBondContact O-CG 3.11Å; T491-R494 PolarHBondContact O-N 3.2Å
492	D	79.7	Confident	89.4	Confident	114 Å²	114	44.6 Å²	44.6	61%	0.61	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-67.8	-22.4	-179.5	54.2	-46.7	0	0	0	113.5	P490	P490-D492 VanDerWaalsContact C-N 3.3Å; P490-D492 WeakPolarHBondContact CB-OD1 3.25Å; P490-D492 PolarHBondContact O-N 3.25Å
493	L	77.7	Confident	89.6	Confident	27 Å²	27	45.3 Å²	45.3	14%	0.141	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-98.8	4.4	-178.8	-65.9	-179.2	0	0	0	114.3	P473 N475 L489 P490 T491 N495 E496 V498	P473-L493 HydrophobicContact CG-CD1 4.1Å; N475-L493 WeakPolarHBondContact ND2-CD1 3.14Å; L489-L493 HydrophobicContact CD1-CB 3.82Å; L489-L493 HydrophobicContact CD1-CD1 3.88Å; L489-L493 HydrophobicContact CD2-CB 4.16Å; L489-L493 HydrophobicContact CG-CB 3.95Å; P490-L493 PolarHBondContact O-N 3.39Å; T491-L493 VanDerWaalsContact C-N 3.26Å; T491-L493 PolarHBondContact O-N 3.28Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 2.9Å; L493-E496 PolarHBondContact O-N 3.22Å; L493-V498 HydrophobicContact CB-CG2 4.06Å; L493-V498 HydrophobicContact CD1-CG2 4.4Å
494	R	72.1	Confident	89.6	Confident	20 Å²	20	43.7 Å²	43.7	8%	0.075	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33	-171.1	-76.9	175.9	174	-166.2	-10	115.9	L441 Y445 E447 N450 T491 E496	L441-R494 PolarHBondContact N-O 3.28Å; L441-R494 VanDerWaalsContact N-O 3.12Å; Y445-R494 PolarHBondContact O-NH1 2.88Å; Y445-R494 PolarHBondContact O-NH2 3.16Å; E447-R494 PolarHBondContact O-NH2 3.33Å; N450-R494 VanDerWaalsContact ND2-CG 3.32Å; N450-R494 WeakPolarHBondContact ND2-CG 3.49Å; N450-R494 PolarHBondContact ND2-NE 2.92Å; N450-R494 PolarHBondContact ND2-NH2 3.08Å; N450-R494 PolarHBondContact OD1-NH2 3.17Å; T491-R494 VanDerWaalsContact CG2-NE 3.32Å; T491-R494 WeakPolarHBondContact O-CD 3.3Å; T491-R494 VanDerWaalsContact O-CG 3.24Å; T491-R494 WeakPolarHBondContact O-CG 3.11Å; T491-R494 PolarHBondContact O-N 3.2Å; R494-E496 VanDerWaalsContact C-N 3.3Å
495	N	69.7	Low	89.6	Confident	104 Å²	104	44.3 Å²	44.3	56%	0.556	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	0.9	-174.6	-63.9	-39.9	0	0	0	112.7	Q440 L493	Q440-N495 PolarHBondContact NE2-O 2.86Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 2.9Å
496	E	77.4	Confident	89.4	Confident	115 Å²	115	47.7 Å²	47.7	54%	0.537	24%	0.238	S	C	.	.	S	Bend	trans	-110.4	148.7	-176.2	-61.5	-173.7	177.9	0	0	111.1	T438 L493 R494 V498	T438-E496 PolarHBondContact OG1-O 2.83Å; L493-E496 PolarHBondContact O-N 3.22Å; R494-E496 VanDerWaalsContact C-N 3.3Å; E496-V498 HydrophobicContact CB-CG2 4.09Å; E496-V498 PolarHBondContact O-N 3.32Å
497	H	88.6	Confident	89.2	Confident	115 Å²	115	55.5 Å²	55.5	53%	0.532	27%	0.27	S	S	.	.			trans	-80.1	104.6	162.6	-73.7	-67.2	0	0	0	107.7	I437 T438	I437-H497 HydrophobicContact CG2-CB 3.73Å; T438-H497 PolarHBondContact O-ND1 3.27Å
498	V	92.4	Very high	88.8	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.079	28%	0.284	C	S	.	.			trans	-98.4	125.3	-176.4	-178	0	0	0	0	108.9	I437 T438 P473 L489 L493 E496 V500	I437-V498 CarbonylContact C-O 3.58Å; I437-V498 WeakPolarHBondContact CA-O 3.28Å; T438-V498 HydrophobicContact CG2-CB 4.3Å; T438-V498 PolarHBondContact N-O 3.05Å; T438-V498 PolarHBondContact OG1-N 2.6Å; P473-V498 HydrophobicContact CG-CG1 3.86Å; L489-V498 HydrophobicContact CD1-CB 4.39Å; L489-V498 HydrophobicContact CD1-CG1 4.42Å; L489-V498 HydrophobicContact CD1-CG2 4.23Å; L493-V498 HydrophobicContact CB-CG2 4.06Å; L493-V498 HydrophobicContact CD1-CG2 4.4Å; E496-V498 HydrophobicContact CB-CG2 4.09Å; E496-V498 PolarHBondContact O-N 3.32Å; V498-V500 HydrophobicContact CG1-CG2 4.35Å; V498-V500 PolarHBondContact O-N 3.42Å
499	L	96	Very high	88.5	Confident	80 Å²	80	58.5 Å²	58.5	42%	0.419	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114	165.8	176.7	63.9	0	0	0	108.1	V421 I437 E501	V421-L499 HydrophobicContact CG2-CD1 4.17Å; I437-L499 HydrophobicContact CG1-CD1 4.01Å; L499-E501 HydrophobicContact CD1-CG 4.47Å; L499-E501 HydrophobicContact CD2-CG 4.38Å; L499-E501 HydrophobicContact CG-CG 4.11Å
500	V	96.8	Very high	88.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.8	174.2	176.3	0	0	0	0	108.1	S435 F436 T438 I452 N472 L476 V498	S435-V500 WeakPolarHBondContact CA-O 3.33Å; S435-V500 WeakPolarHBondContact CB-O 3.26Å; F436-V500 HydrophobicContact CD1-CB 4.01Å; F436-V500 HydrophobicContact CD1-CG1 4.17Å; F436-V500 HydrophobicContact CE1-CB 3.65Å; F436-V500 HydrophobicContact CE1-CG1 3.47Å; F436-V500 VanDerWaalsContact CE1-CG1 3.47Å; F436-V500 HydrophobicContact CE1-CG2 4.31Å; F436-V500 HydrophobicContact CE2-CB 4.31Å; F436-V500 HydrophobicContact CE2-CG2 4.22Å; F436-V500 HydrophobicContact CG-CB 4.48Å; F436-V500 HydrophobicContact CZ-CB 3.82Å; F436-V500 HydrophobicContact CZ-CG1 3.84Å; F436-V500 HydrophobicContact CZ-CG2 3.96Å; F436-V500 PolarHBondContact N-O 2.84Å; F436-V500 VanDerWaalsContact N-O 3.08Å; F436-V500 PolarHBondContact O-N 3.4Å; T438-V500 HydrophobicContact CG2-CG2 3.79Å; I452-V500 HydrophobicContact CD1-CG2 3.82Å; N472-V500 WeakPolarHBondContact O-CA 3.46Å; L476-V500 HydrophobicContact CD1-CB 4.43Å; L476-V500 HydrophobicContact CD1-CG1 3.7Å; L476-V500 HydrophobicContact CD1-CG2 4.16Å; V498-V500 HydrophobicContact CG1-CG2 4.35Å; V498-V500 PolarHBondContact O-N 3.42Å
501	E	98.1	Very high	88.5	Confident	64 Å²	64	64.6 Å²	64.6	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	171.4	-53.8	177.8	101.7	0	0	109.2	K422 L471 N472 L499	K422-E501 IonicContact NZ-OE1 3.94Å; L471-E501 WeakPolarHBondContact CA-O 3.28Å; N472-E501 HydrophobicContact CB-CB 4.17Å; N472-E501 PolarHBondContact N-O 2.98Å; N472-E501 PolarHBondContact ND2-OE2 3.22Å; N472-E501 PolarHBondContact O-N 2.61Å; L499-E501 HydrophobicContact CD1-CG 4.47Å; L499-E501 HydrophobicContact CD2-CG 4.38Å; L499-E501 HydrophobicContact CG-CG 4.11Å
502	M	98	Very high	89.1	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.8	176	-176.2	-169.8	73.7	0	0	109.2	Y432 S433 F434 I455 I469 N470 L471 L485 I487 L504	Y432-M502 HydrophobicContact CD1-CE 3.47Å; Y432-M502 VanDerWaalsContact CD1-CE 3.47Å; Y432-M502 HydrophobicContact CE1-CE 3.3Å; S433-M502 CarbonylContact C-O 3.5Å; S433-M502 VanDerWaalsContact CA-O 3.29Å; S433-M502 WeakPolarHBondContact CA-O 3.26Å; F434-M502 HydrophobicContact CB-CE 4.12Å; F434-M502 PolarHBondContact N-O 3.06Å; F434-M502 PolarHBondContact O-N 2.95Å; I455-M502 HydrophobicContact CG1-CE 4.22Å; I455-M502 HydrophobicContact CG1-SD 4.2Å; I455-M502 HydrophobicContact CG2-CE 4.06Å; I469-M502 HydrophobicContact CD1-CG 4.01Å; I469-M502 HydrophobicContact CD1-SD 4.01Å; I469-M502 HydrophobicContact CG1-CG 4.08Å; N470-M502 WeakPolarHBondContact O-CA 3.36Å; L471-M502 HydrophobicContact CD2-CB 3.86Å; L471-M502 HydrophobicContact CD2-CG 3.71Å; L485-M502 HydrophobicContact CD2-SD 3.69Å; I487-M502 HydrophobicContact CD1-SD 3.83Å; M502-L504 HydrophobicContact CE-CD1 4.12Å; M502-L504 HydrophobicContact CE-CD2 4.46Å; M502-L504 HydrophobicContact CE-CG 4.04Å; M502-L504 HydrophobicContact CG-CD2 4.45Å; M502-L504 HydrophobicContact SD-CD2 4.24Å; M502-L504 HydrophobicContact SD-CG 4.45Å
503	E	98	Very high	89.7	Confident	70 Å²	70	61.2 Å²	61.2	33%	0.327	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.9	171.9	-173.1	-171	-163.9	0	0	109.4	Y432 I469 N470 V505	Y432-E503 CarbonylContact O-C 3.53Å; Y432-E503 VanDerWaalsContact O-CA 3.29Å; Y432-E503 WeakPolarHBondContact O-CA 3.37Å; I469-E503 CarbonylContact C-O 3.57Å; I469-E503 WeakPolarHBondContact CA-O 3.26Å; N470-E503 HydrophobicContact CB-CB 4.26Å; N470-E503 PolarHBondContact N-O 3.45Å; N470-E503 PolarHBondContact ND2-OE2 3.37Å; N470-E503 PolarHBondContact O-N 2.86Å; E503-V505 HydrophobicContact CG-CG2 4.32Å
504	L	97.4	Very high	90.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	172.7	-53.8	177.3	0	0	0	109.5	E431 Y432 I457 Y467 S468 I469 M502	E431-L504 VanDerWaalsContact CA-O 3.32Å; E431-L504 WeakPolarHBondContact CA-O 3.31Å; Y432-L504 HydrophobicContact CD1-CD1 3.78Å; Y432-L504 HydrophobicContact CD1-CG 4.22Å; Y432-L504 PolarHBondContact N-O 3.38Å; Y432-L504 PolarHBondContact O-N 2.92Å; I457-L504 HydrophobicContact CD1-CD1 3.47Å; I457-L504 VanDerWaalsContact CD1-CD1 3.47Å; Y467-L504 HydrophobicContact CD2-CD2 3.69Å; Y467-L504 HydrophobicContact CE2-CD2 3.76Å; S468-L504 WeakPolarHBondContact O-CA 3.47Å; I469-L504 HydrophobicContact CB-CD2 3.73Å; I469-L504 HydrophobicContact CD1-CD2 3.9Å; I469-L504 HydrophobicContact CG1-CD2 3.67Å; M502-L504 HydrophobicContact CE-CD1 4.12Å; M502-L504 HydrophobicContact CE-CD2 4.46Å; M502-L504 HydrophobicContact CE-CG 4.04Å; M502-L504 HydrophobicContact CG-CD2 4.45Å; M502-L504 HydrophobicContact SD-CD2 4.24Å; M502-L504 HydrophobicContact SD-CG 4.45Å
505	V	96.2	Very high	92	Very high	52 Å²	52	67 Å²	67	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.5	175.1	-175	0	0	0	0	108.6	Y467 S468 E503	Y467-V505 CarbonylContact C-O 3.48Å; Y467-V505 VanDerWaalsContact CA-O 3.23Å; Y467-V505 WeakPolarHBondContact CA-O 3.4Å; Y467-V505 WeakPolarHBondContact CB-O 3.35Å; S468-V505 PolarHBondContact N-O 3.17Å; S468-V505 PolarHBondContact O-N 3.41Å; S468-V505 PolarHBondContact OG-O 2.89Å; E503-V505 HydrophobicContact CG-CG2 4.32Å
506	R	94.3	Very high	93.9	Very high	75 Å²	75	63.9 Å²	63.9	28%	0.283	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139.7	177	-176.2	-173.8	-67.9	153.9	6.2	110.3	E428 H462 Y463	E428-R506 PolarHBondContact O-NH1 3.06Å; H462-R506 PolarHBondContact ND1-NH2 2.89Å; H462-R506 PolarHBondContact O-NE 3.41Å; H462-R506 PolarHBondContact O-NH2 2.73Å; Y463-R506 HydrophobicContact CD1-CB 4.2Å; Y463-R506 HydrophobicContact CD1-CG 4.46Å; Y463-R506 HydrophobicContact CE1-CB 4.37Å
507	K	93.1	Very high	95.4	Very high	179 Å²	179	59.3 Å²	59.3	78%	0.778	28%	0.277	S	S	*	.			trans	-84	0	174.7	-77.1	178.5	175	165.4	0	113.6	G466 Y467	G466-K507 PolarHBondContact O-N 3.3Å; G466-K507 VanDerWaalsContact O-N 3.14Å; Y467-K507 WeakPolarHBondContact O-CE 3.47Å; Y467-K507 PolarHBondContact O-NZ 2.88Å

Retrieved 507 of 507 residues in 153 ms (Link to these results)

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