A0A3Q0KPD2_SCHMA Loading...

Neutral ceramidase

AlphaFold DB , UniProt , Accession A0A3Q0KPD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 720 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	39.4	Very low	245 Å²	245	149.9 Å²	149.9	100%	1.207	80%	0.796	S	S	*	*				0	39.4	0	-158.1	169.9	161.9	0	0	111.5
2	V	37.1	Very low	39.6	Very low	140 Å²	140	143.3 Å²	143.3	85%	0.848	77%	0.771	S	S	*	*			trans	-135.5	56.4	-174.3	-173.7	0	0	0	0	108.3
3	I	36.1	Very low	39.6	Very low	168 Å²	168	143.2 Å²	143.2	86%	0.862	76%	0.76	S	S	*	*	S	Bend	trans	-144.3	21.4	170.4	-44.2	178.3	0	0	0	111.5
4	C	37.1	Very low	39.6	Very low	135 Å²	135	141.1 Å²	141.1	91%	0.912	75%	0.747	S	S	*	*	S	Bend	trans	-124	37	-179	-77.8	0	0	0	0	114.6
5	K	36.9	Very low	39.6	Very low	190 Å²	190	137.1 Å²	137.1	83%	0.826	74%	0.735	S	S	*	*	S	Bend	trans	-129.5	7.1	174.9	-88.5	-169.5	175.8	-176.2	0	116.6
6	S	39.5	Very low	39.6	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	72%	0.721	S	S	*	*	S	Bend	trans	-104.2	1.2	-175.9	-52.9	0	0	0	0	115.6
7	F	38.6	Very low	39.3	Very low	203 Å²	203	135.5 Å²	135.5	89%	0.89	72%	0.717	S	S	*	*	S	Bend	trans	-99.4	-5.8	-178.5	-105	-90.5	0	0	0	115.4
8	S	42.8	Very low	39	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	72%	0.718	S	S	*	*	S	Bend	trans	-93.3	-9.6	-177	-168.7	0	0	0	0	114.8
9	I	44.6	Very low	38.7	Very low	110 Å²	110	135.8 Å²	135.8	56%	0.564	71%	0.71	S	S	*	*	S	Bend	trans	-94.6	-25.3	-174.1	-63.4	173.1	0	0	0	111.9
10	Y	40.2	Very low	38.6	Very low	180 Å²	180	137.8 Å²	137.8	71%	0.706	71%	0.713	S	S	*	*	H	α-helix	trans	-78.4	-23.1	179	-86.4	-83.2	0	0	0	114.4
11	S	40.9	Very low	38.4	Very low	85 Å²	85	137 Å²	137	59%	0.594	71%	0.709	S	S	*	*	H	α-helix	trans	-80.6	-23	180	-156.5	0	0	0	0	113.2	S15	S11-S15 PolarHBondContact O-OG 3.16Å
12	S	42.1	Very low	38.2	Very low	71 Å²	71	132.2 Å²	132.2	50%	0.497	68%	0.682	S	S	.	*	H	α-helix	trans	-81.8	-28.8	175.3	-64.6	0	0	0	0	113.2	I16	S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 VanDerWaalsContact O-CG1 3.32Å; S12-I16 WeakPolarHBondContact O-CG1 3.32Å; S12-I16 PolarHBondContact O-N 3.45Å
13	F	39.2	Very low	38.3	Very low	142 Å²	142	130.8 Å²	130.8	62%	0.623	68%	0.679	S	S	*	*	H	α-helix	trans	-76.6	-29.7	176.5	-94.9	-85.3	0	0	0	113.6	F17	F13-F17 PolarHBondContact O-N 3.43Å
14	I	40.9	Very low	38.6	Very low	113 Å²	113	127 Å²	127	58%	0.579	67%	0.665	S	S	*	*	H	α-helix	trans	-75.8	-30.5	177.7	-67.3	171.6	0	0	0	111.6	W18	I14-W18 PolarHBondContact O-N 3.31Å
15	S	38.2	Very low	38.9	Very low	81 Å²	81	129 Å²	129	57%	0.566	66%	0.661	S	S	*	*	H	α-helix	trans	-75.8	-27.8	176.6	-57.2	0	0	0	0	113	S11 S19	S11-S15 PolarHBondContact O-OG 3.16Å; S15-S19 PolarHBondContact O-OG 3.3Å
16	I	40.3	Very low	39.9	Very low	99 Å²	99	121.9 Å²	121.9	51%	0.508	63%	0.631	S	S	.	*	H	α-helix	trans	-80	-27.1	177	-65.3	168.2	0	0	0	111.4	S12 S19 F20	S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 VanDerWaalsContact O-CG1 3.32Å; S12-I16 WeakPolarHBondContact O-CG1 3.32Å; S12-I16 PolarHBondContact O-N 3.45Å; I16-S19 PolarHBondContact O-OG 3.34Å; I16-F20 WeakPolarHBondContact O-CD2 3.39Å
17	F	35.2	Very low	41.4	Very low	149 Å²	149	124 Å²	124	65%	0.654	63%	0.634	S	S	*	*	H	α-helix	trans	-80.5	-19.4	176.9	-123.9	-93.7	0	0	0	113.9	F13 L21	F13-F17 PolarHBondContact O-N 3.43Å; F17-L21 HydrophobicContact CD1-CD1 4.18Å; F17-L21 HydrophobicContact CE1-CD1 4.47Å
18	W	33.5	Very low	43.9	Very low	193 Å²	193	114.8 Å²	114.8	73%	0.731	60%	0.597	S	S	*	*	H	α-helix	trans	-87	-20.9	177.1	-105.7	43.6	0	0	0	114.3	I14 F20	I14-W18 PolarHBondContact O-N 3.31Å; W18-F20 VanDerWaalsContact C-N 3.34Å
19	S	33.9	Very low	46.5	Very low	83 Å²	83	110.4 Å²	110.4	58%	0.58	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-10.1	175.7	43	0	0	0	0	114.4	S15 I16	S15-S19 PolarHBondContact O-OG 3.3Å; I16-S19 PolarHBondContact O-OG 3.34Å
20	F	35.6	Very low	49	Very low	176 Å²	176	106.8 Å²	106.8	77%	0.772	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	1.2	-179.7	-83.1	-79.5	0	0	0	114.7	I16 W18	I16-F20 WeakPolarHBondContact O-CD2 3.39Å; W18-F20 VanDerWaalsContact C-N 3.34Å
21	L	34.2	Very low	51.8	Low	120 Å²	120	98.2 Å²	98.2	63%	0.628	51%	0.514	S	S	*	.	S	Bend	trans	-118.6	4.4	-174.6	-86.9	161.2	0	0	0	115.3	F17	F17-L21 HydrophobicContact CD1-CD1 4.18Å; F17-L21 HydrophobicContact CE1-CD1 4.47Å
22	F	35.1	Very low	54.5	Low	146 Å²	146	94.2 Å²	94.2	64%	0.64	49%	0.486	S	S	*	.			trans	-131.4	75.5	170.9	-71	-83.8	0	0	0	109.4	P24	F22-P24 WeakPolarHBondContact O-CD 3.15Å
23	S	39.6	Very low	57.2	Low	110 Å²	110	91.2 Å²	91.2	77%	0.769	47%	0.465	S	S	*	.			trans	-72.3	107	141.6	-158.1	0	0	0	0	103.3	H25	S23-H25 PolarHBondContact O-N 3.18Å
24	P	41.7	Very low	60.1	Low	87 Å²	87	84.6 Å²	84.6	57%	0.565	44%	0.436	S	S	*	.			trans	-54.6	120.4	175.4	23.5	-29.8	0	0	0	105.3	F22 I26	F22-P24 WeakPolarHBondContact O-CD 3.15Å; P24-I26 PolarHBondContact O-N 2.91Å
25	H	43.8	Very low	62.8	Low	179 Å²	179	79.7 Å²	79.7	83%	0.829	41%	0.412	S	S	*	.			trans	-60.5	98.9	165.5	-90	-72.8	0	0	0	105	S23 N27	S23-H25 PolarHBondContact O-N 3.18Å; H25-N27 PolarHBondContact O-N 2.68Å
26	I	57.4	Low	65.7	Low	39 Å²	39	76.7 Å²	76.7	20%	0.2	39%	0.389	C	S	.	.			trans	-62.4	102.3	175.6	-64.4	161.8	0	0	0	105	P24 G28 E73	P24-I26 PolarHBondContact O-N 2.91Å; I26-G28 WeakPolarHBondContact CG2-O 3.27Å; I26-G28 PolarHBondContact O-N 2.65Å; I26-E73 HydrophobicContact CD1-CG 3.88Å; I26-E73 VanDerWaalsContact CD1-OE1 3.23Å; I26-E73 WeakPolarHBondContact CD1-OE1 3.38Å; I26-E73 HydrophobicContact CG1-CG 4.26Å; I26-E73 HydrophobicContact CG2-CG 4.43Å
27	N	71.9	Confident	68.4	Low	143 Å²	143	72.1 Å²	72.1	77%	0.765	37%	0.365	S	S	*	.			trans	-81.9	51.3	-179.5	-94.8	-21.9	0	0	0	110.3	H25 M217	H25-N27 PolarHBondContact O-N 2.68Å; N27-M217 WeakPolarHBondContact O-CE 3.11Å
28	G	90.3	Very high	71.5	Confident	11 Å²	11	65.3 Å²	65.3	11%	0.113	34%	0.335	C	S	.	.			trans	105.6	180	-178.1	0	0	0	0	0	114.8	I26 G169	I26-G28 WeakPolarHBondContact CG2-O 3.27Å; I26-G28 PolarHBondContact O-N 2.65Å; G28-G169 CarbonylContact C-O 3.52Å; G28-G169 WeakPolarHBondContact CA-O 3.4Å
29	Y	97.4	Very high	74.6	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.6	-178.1	-54.5	-85.2	0	0	0	110.5	I71 E168 G169 I171 I346 N347 G348 V350 I454	Y29-I71 HydrophobicContact CD1-CG2 4.14Å; Y29-I71 HydrophobicContact CG-CG2 4.18Å; Y29-E168 CarbonylContact O-C 3.59Å; Y29-E168 VanDerWaalsContact O-CA 3.29Å; Y29-E168 WeakPolarHBondContact O-CA 3.17Å; Y29-G169 PolarHBondContact N-O 3.28Å; Y29-G169 PolarHBondContact O-N 2.92Å; Y29-I171 HydrophobicContact CD2-CD1 3.92Å; Y29-I171 HydrophobicContact CD2-CG1 4Å; Y29-I171 HydrophobicContact CE2-CD1 4.07Å; Y29-I171 HydrophobicContact CE2-CG1 4.23Å; Y29-I171 HydrophobicContact CG-CD1 4.45Å; Y29-I346 WeakPolarHBondContact CE2-O 3.43Å; Y29-I346 PolarHBondContact OH-O 2.76Å; Y29-N347 VanDerWaalsContact OH-C 3.3Å; Y29-N347 WeakPolarHBondContact OH-CA 2.93Å; Y29-G348 WeakPolarHBondContact CE1-O 3.47Å; Y29-G348 PolarHBondContact OH-N 3.28Å; Y29-G348 VanDerWaalsContact OH-N 3.08Å; Y29-G348 PolarHBondContact OH-O 3.17Å; Y29-V350 HydrophobicContact CD1-CG2 3.86Å; Y29-V350 HydrophobicContact CE1-CG2 3.79Å; Y29-I454 HydrophobicContact CE1-CG2 4.09Å; Y29-I454 HydrophobicContact CE2-CG2 4.31Å; Y29-I454 WeakPolarHBondContact OH-CG2 3.39Å
30	L	97.8	Very high	77.6	Confident	34 Å²	34	52.2 Å²	52.2	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.4	157.3	-64	174.7	0	0	0	108.5	I71 Q72 E168	L30-I71 WeakPolarHBondContact O-CA 3.32Å; L30-Q72 HydrophobicContact CB-CB 4.18Å; L30-Q72 PolarHBondContact N-O 3.01Å; L30-Q72 PolarHBondContact O-N 3.35Å; L30-E168 HydrophobicContact CD2-CG 3.74Å
31	I	98.4	Very high	80.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.3	-175.7	-52.6	168.1	0	0	0	109.2	I70 M166 K167 I171 F214 I222	I31-I70 CarbonylContact C-O 3.47Å; I31-I70 VanDerWaalsContact CA-O 3.29Å; I31-I70 WeakPolarHBondContact CA-O 3.44Å; I31-M166 WeakPolarHBondContact O-CA 3.29Å; I31-K167 PolarHBondContact N-O 3.05Å; I31-K167 PolarHBondContact O-N 2.93Å; I31-I171 HydrophobicContact CD1-CD1 4.42Å; I31-I171 HydrophobicContact CD1-CG1 3.75Å; I31-F214 HydrophobicContact CD1-CD1 4.24Å; I31-F214 HydrophobicContact CG2-CB 4.08Å; I31-F214 HydrophobicContact CG2-CD1 3.61Å; I31-F214 HydrophobicContact CG2-CE1 4.42Å; I31-F214 HydrophobicContact CG2-CG 4.09Å; I31-I222 HydrophobicContact CB-CD1 4.13Å; I31-I222 HydrophobicContact CG2-CD1 3.86Å
32	G	98.5	Very high	83.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.5	176.3	0	0	0	0	0	111.4	F69 I70 A162	G32-F69 CarbonylContact O-C 3.6Å; G32-F69 WeakPolarHBondContact O-CA 3.38Å; G32-I70 PolarHBondContact N-O 2.98Å; G32-I70 PolarHBondContact O-N 2.85Å; G32-A162 WeakPolarHBondContact CA-O 3.48Å
33	V	98.8	Very high	86.5	Confident	8 Å²	8	31.2 Å²	31.2	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.4	175.3	-62	0	0	0	0	110.5	A68 F69 A162 N165 I222 V270	V33-A68 WeakPolarHBondContact CA-O 3.3Å; V33-F69 HydrophobicContact CG1-CD1 3.76Å; V33-F69 HydrophobicContact CG1-CE1 4.06Å; V33-A162 VanDerWaalsContact C-CA 3.44Å; V33-A162 WeakPolarHBondContact O-CA 3.28Å; V33-N165 PolarHBondContact O-ND2 3.27Å; V33-I222 HydrophobicContact CG1-CD1 4.37Å; V33-I222 HydrophobicContact CG1-CG1 4.34Å; V33-I222 HydrophobicContact CG2-CB 4.3Å; V33-I222 WeakPolarHBondContact CG2-O 3.26Å; V33-V270 HydrophobicContact CB-CB 4.17Å; V33-V270 HydrophobicContact CB-CG2 3.98Å; V33-V270 HydrophobicContact CG2-CG2 4.14Å
34	G	98.6	Very high	89.1	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.7	-178.5	0	0	0	0	0	111.9	R67 A68	G34-R67 CarbonylContact O-C 3.55Å; G34-R67 WeakPolarHBondContact O-CA 3.25Å; G34-A68 PolarHBondContact N-O 3.47Å; G34-A68 PolarHBondContact O-N 3.43Å
35	I	98.6	Very high	91.6	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.056	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.4	177	-177.1	164.5	0	0	0	109.3	F65 S66 R67 L161 E255 V270	I35-F65 HydrophobicContact CD1-CB 4.04Å; I35-F65 HydrophobicContact CD1-CD1 4.11Å; I35-F65 HydrophobicContact CD1-CG 4.02Å; I35-F65 HydrophobicContact CG1-CB 4.05Å; I35-F65 HydrophobicContact CG1-CD1 4.06Å; I35-F65 HydrophobicContact CG1-CG 4.25Å; I35-S66 CarbonylContact C-O 3.48Å; I35-S66 VanDerWaalsContact CA-O 3.31Å; I35-S66 WeakPolarHBondContact CA-O 3.34Å; I35-R67 HydrophobicContact CD1-CG 4.05Å; I35-R67 HydrophobicContact CG1-CG 4.13Å; I35-L161 WeakPolarHBondContact O-CD1 3.48Å; I35-E255 WeakPolarHBondContact CD1-OE1 3.4Å; I35-V270 HydrophobicContact CB-CG1 4.22Å; I35-V270 HydrophobicContact CB-CG2 4.03Å; I35-V270 HydrophobicContact CG2-CG2 4.07Å
36	H	98.4	Very high	94.1	Very high	18 Å²	18	16.5 Å²	16.5	8%	0.083	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	145.2	174.3	-160.8	-75.5	0	0	0	111.3	F65 S66 G154 N157 N620	H36-F65 WeakPolarHBondContact O-CA 3.4Å; H36-S66 PolarHBondContact N-O 2.89Å; H36-S66 PolarHBondContact O-N 3.06Å; H36-G154 WeakPolarHBondContact CB-O 3.39Å; H36-N157 HydrophobicContact CB-CB 4.38Å; H36-N157 WeakPolarHBondContact CD2-CB 3.37Å; H36-N157 PolarHBondContact NE2-ND2 2.82Å; H36-N620 PolarHBondContact CD2-ND2 3.39Å; H36-N620 VanDerWaalsContact CD2-ND2 3.35Å; H36-N620 PolarHBondContact CE1-ND2 3.39Å; H36-N620 PolarHBondContact NE2-ND2 3.47Å
37	D	98.5	Very high	96.1	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.9	172.9	-172.7	7.5	0	0	0	110.9	T39 R63 L64 F65 L619 N620	D37-T39 WeakPolarHBondContact OD1-CB 3.4Å; D37-T39 PolarHBondContact OD1-N 2.91Å; D37-T39 PolarHBondContact OD1-OG1 2.89Å; D37-R63 IonicContact OD2-CZ 3.52Å; D37-R63 IonicContact OD2-NE 3.42Å; D37-R63 IonicContact OD2-NH1 3.74Å; D37-R63 PolarHBondContact OD2-NH1 3.12Å; D37-L64 VanDerWaalsContact OD1-O 3.1Å; D37-F65 HydrophobicContact CB-CD1 4.41Å; D37-F65 HydrophobicContact CB-CE1 4.31Å; D37-L619 HydrophobicContact CB-CD2 4.07Å; D37-L619 WeakPolarHBondContact O-CD2 3.36Å; D37-L619 WeakPolarHBondContact OD2-CA 3.23Å; D37-N620 PolarHBondContact OD2-N 3.14Å
38	I	98.7	Very high	97.3	Very high	6 Å²	6	8.4 Å²	8.4	3%	0.031	5%	0.048	C	C	.	.			trans	-125.5	9.9	174.6	55.3	169	0	0	0	111.7	G40 L64 F65 I85 L151 I155	I38-G40 PolarHBondContact O-N 3.41Å; I38-G40 VanDerWaalsContact O-N 3.16Å; I38-L64 HydrophobicContact CD1-CB 4.33Å; I38-L64 VanDerWaalsContact CG1-C 3.46Å; I38-L64 HydrophobicContact CG1-CB 3.84Å; I38-L64 WeakPolarHBondContact CG1-O 3.22Å; I38-L64 PolarHBondContact N-O 3.25Å; I38-F65 WeakPolarHBondContact CD1-O 3.31Å; I38-I85 HydrophobicContact CD1-CB 3.83Å; I38-I85 HydrophobicContact CD1-CG2 4.26Å; I38-L151 HydrophobicContact CB-CD1 3.96Å; I38-L151 HydrophobicContact CD1-CD1 3.68Å; I38-L151 HydrophobicContact CG1-CD1 4.34Å; I38-L151 HydrophobicContact CG2-CD1 4.19Å; I38-I155 HydrophobicContact CG2-CG1 4.44Å
39	T	98.6	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.			trans	-60.3	119.7	-177.1	-49.5	0	0	0	0	110	D37 I42 L60 R63 L64 V242	D37-T39 WeakPolarHBondContact OD1-CB 3.4Å; D37-T39 PolarHBondContact OD1-N 2.91Å; D37-T39 PolarHBondContact OD1-OG1 2.89Å; T39-I42 HydrophobicContact CG2-CG2 3.88Å; T39-L60 HydrophobicContact CG2-CD1 4.25Å; T39-R63 WeakPolarHBondContact OG1-CD 3.48Å; T39-L64 PolarHBondContact N-O 2.96Å; T39-L64 PolarHBondContact OG1-N 2.64Å; T39-L64 PolarHBondContact OG1-O 2.93Å; T39-V242 HydrophobicContact CG2-CG1 4.24Å
40	G	97.9	Very high	97.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	6%	0.057	C	C	.	.			trans	-80.6	-149.4	175.8	0	0	0	0	0	112.3	I38	I38-G40 PolarHBondContact O-N 3.41Å; I38-G40 VanDerWaalsContact O-N 3.16Å
41	P	97.3	Very high	97.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.07	C	C	.	.			trans	-62.9	150.7	170.8	30.4	-34.3	0	0	0	110	I45 D57 P127 V144 E146 T147 R614	P41-I45 HydrophobicContact CB-CG1 3.87Å; P41-I45 HydrophobicContact CG-CB 4.16Å; P41-I45 HydrophobicContact CG-CD1 4.5Å; P41-I45 HydrophobicContact CG-CG1 3.57Å; P41-I45 HydrophobicContact CG-CG2 4.29Å; P41-D57 VanDerWaalsContact O-OD2 3.09Å; P41-P127 HydrophobicContact CG-CB 4.02Å; P41-P127 HydrophobicContact CG-CG 4.49Å; P41-P127 WeakPolarHBondContact O-CG 3.07Å; P41-V144 HydrophobicContact CG-CG1 4.33Å; P41-E146 WeakPolarHBondContact CD-O 3.42Å; P41-E146 HydrophobicContact CG-CB 4.44Å; P41-T147 WeakPolarHBondContact CD-OG1 3.46Å; P41-T147 WeakPolarHBondContact CG-OG1 3.39Å; P41-R614 HydrophobicContact CB-CG 3.89Å
42	I	97.7	Very high	96.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.			trans	-120.9	19.5	179	63.4	159.5	0	0	0	111.1	T39 D57 N58 G59 L60 V242 P613 Y623 F649	T39-I42 HydrophobicContact CG2-CG2 3.88Å; I42-D57 VanDerWaalsContact CA-OD2 3.22Å; I42-D57 WeakPolarHBondContact CA-OD2 3.1Å; I42-N58 CarbonylContact O-C 3.49Å; I42-N58 VanDerWaalsContact O-C 3.31Å; I42-G59 WeakPolarHBondContact O-CA 3.38Å; I42-G59 PolarHBondContact O-N 3.37Å; I42-L60 HydrophobicContact CB-CB 4.34Å; I42-L60 HydrophobicContact CD1-CB 3.82Å; I42-L60 HydrophobicContact CG2-CB 4.13Å; I42-L60 HydrophobicContact CG2-CD1 4.16Å; I42-L60 HydrophobicContact CG2-CD2 4.49Å; I42-V242 HydrophobicContact CB-CG2 4.19Å; I42-V242 HydrophobicContact CG2-CB 4.14Å; I42-V242 HydrophobicContact CG2-CG2 3.99Å; I42-P613 HydrophobicContact CD1-CB 3.96Å; I42-P613 HydrophobicContact CD1-CG 4.14Å; I42-P613 HydrophobicContact CG1-CB 3.52Å; I42-P613 HydrophobicContact CG1-CG 4.04Å; I42-Y623 HydrophobicContact CD1-CD2 3.71Å; I42-Y623 HydrophobicContact CD1-CE1 4.35Å; I42-Y623 HydrophobicContact CD1-CE2 3.35Å; I42-Y623 HydrophobicContact CD1-CG 4.38Å; I42-Y623 HydrophobicContact CG1-CE2 4.03Å; I42-F649 HydrophobicContact CD1-CD1 3.52Å; I42-F649 HydrophobicContact CD1-CE1 3.58Å
43	T	96	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-160.9	149.2	179.3	-172.5	0	0	0	0	112.5	I45 D57 P613 R614 W651	T43-I45 PolarHBondContact O-N 2.96Å; T43-D57 CarbonylContact C-O 3.6Å; T43-D57 VanDerWaalsContact CA-O 3.31Å; T43-D57 WeakPolarHBondContact CA-O 3.45Å; T43-D57 WeakPolarHBondContact CA-OD1 3.2Å; T43-D57 PolarHBondContact N-OD1 2.95Å; T43-D57 VanDerWaalsContact N-OD1 3.11Å; T43-D57 PolarHBondContact N-OD2 3.41Å; T43-D57 VanDerWaalsContact N-OD2 3.08Å; T43-P613 HydrophobicContact CG2-CB 3.93Å; T43-P613 HydrophobicContact CG2-CG 3.91Å; T43-R614 HydrophobicContact CG2-CG 3.88Å; T43-R614 VanDerWaalsContact O-CD 3.22Å; T43-R614 WeakPolarHBondContact O-CD 3.3Å; T43-R614 WeakPolarHBondContact O-CG 3.31Å; T43-W651 HydrophobicContact CG2-CD2 4.49Å; T43-W651 WeakPolarHBondContact OG1-CZ3 3.36Å
44	D	93.8	Very high	95.9	Very high	62 Å²	62	25.9 Å²	25.9	33%	0.332	14%	0.14	S	C	.	.	S	Bend	trans	62.6	20.7	173.9	-73.4	-24.8	0	0	0	113.2	D57 W651 R653	D44-D57 PolarHBondContact N-O 3.33Å; D44-D57 PolarHBondContact N-OD1 3.31Å; D44-W651 WeakPolarHBondContact OD2-CH2 3.34Å; D44-R653 IonicContact OD2-CZ 2.71Å; D44-R653 IonicContact OD2-NH1 3.05Å; D44-R653 PolarHBondContact OD2-NH1 3.33Å
45	I	96	Very high	95.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-129.4	137	-179	-58.8	-65.2	0	0	0	110.4	P41 T43 N56 D57 P127 V144 V572	P41-I45 HydrophobicContact CB-CG1 3.87Å; P41-I45 HydrophobicContact CG-CB 4.16Å; P41-I45 HydrophobicContact CG-CD1 4.5Å; P41-I45 HydrophobicContact CG-CG1 3.57Å; P41-I45 HydrophobicContact CG-CG2 4.29Å; T43-I45 PolarHBondContact O-N 2.96Å; I45-N56 CarbonylContact O-C 3.44Å; I45-N56 WeakPolarHBondContact O-CA 3.46Å; I45-D57 WeakPolarHBondContact CA-OD1 3.3Å; I45-D57 PolarHBondContact N-OD1 3.42Å; I45-D57 VanDerWaalsContact O-CG 3.24Å; I45-D57 PolarHBondContact O-N 3.4Å; I45-P127 HydrophobicContact CG2-CB 4.05Å; I45-V144 HydrophobicContact CD1-CG1 3.88Å; I45-V144 HydrophobicContact CD1-CG2 4.15Å; I45-V144 HydrophobicContact CG1-CG1 4.49Å; I45-V144 HydrophobicContact CG2-CG2 4.45Å; I45-V572 HydrophobicContact CD1-CB 4.46Å; I45-V572 HydrophobicContact CD1-CG1 3.44Å; I45-V572 VanDerWaalsContact CD1-CG1 3.44Å; I45-V572 HydrophobicContact CD1-CG2 4.24Å
46	N	96.4	Very high	95.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-66.1	141.3	176.7	-165.1	-107.3	0	0	0	111.3	N52 Q55 N56 A128 T139	N46-N52 PolarHBondContact ND2-O 2.98Å; N46-Q55 WeakPolarHBondContact CA-O 3.29Å; N46-Q55 PolarHBondContact ND2-O 2.55Å; N46-N56 WeakPolarHBondContact CA-OD1 3.32Å; N46-N56 PolarHBondContact N-OD1 3Å; N46-N56 PolarHBondContact ND2-OD1 2.87Å; N46-A128 WeakPolarHBondContact O-CB 3.41Å; N46-A128 PolarHBondContact O-N 3.48Å; N46-T139 WeakPolarHBondContact CB-O 3.4Å; N46-T139 VanDerWaalsContact CG-O 3.26Å; N46-T139 VanDerWaalsContact OD1-CB 3.27Å; N46-T139 WeakPolarHBondContact OD1-CB 3.44Å; N46-T139 PolarHBondContact OD1-OG1 3.4Å; N46-T139 VanDerWaalsContact OD1-OG1 3.12Å
47	M	97.6	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140	177.7	-59.9	172.7	82.2	0	0	110.6	Q55 D57 S125 G126 N239 L241	M47-Q55 HydrophobicContact CB-CG 4.15Å; M47-Q55 HydrophobicContact CG-CG 4.26Å; M47-Q55 PolarHBondContact N-O 3.12Å; M47-Q55 HydrophobicContact SD-CG 3.74Å; M47-D57 HydrophobicContact CG-CB 4.12Å; M47-D57 HydrophobicContact SD-CB 4.41Å; M47-S125 WeakPolarHBondContact CE-O 3.29Å; M47-G126 CarbonylContact C-O 3.55Å; M47-G126 WeakPolarHBondContact CA-O 3.48Å; M47-N239 WeakPolarHBondContact CE-ND2 3.5Å; M47-L241 WeakPolarHBondContact CE-O 3.21Å
48	M	97.9	Very high	95.4	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.1	-178.6	-170	67.9	-95.9	0	0	110.7	M89 H124 G126 A128 Y130 L131	M48-M89 HydrophobicContact CG-SD 3.61Å; M48-M89 HydrophobicContact SD-SD 4.26Å; M48-H124 CarbonylContact O-C 3.18Å; M48-H124 VanDerWaalsContact O-CA 3.28Å; M48-H124 WeakPolarHBondContact O-CA 3.23Å; M48-G126 PolarHBondContact N-O 3.32Å; M48-A128 HydrophobicContact CB-CB 3.82Å; M48-A128 HydrophobicContact CG-CB 4.47Å; M48-A128 HydrophobicContact SD-CB 4.03Å; M48-Y130 HydrophobicContact CB-CE1 4.28Å; M48-Y130 HydrophobicContact CG-CE1 4.24Å; M48-L131 HydrophobicContact SD-CD1 3.8Å
49	G	96.8	Very high	95.4	Very high	19 Å²	19	30 Å²	30	20%	0.196	16%	0.162	C	C	.	.	S	Bend	trans	143.1	-70.9	171.6	0	0	0	0	0	111.9	G51 H124	G49-G51 PolarHBondContact O-N 2.95Å; G49-H124 VanDerWaalsContact C-CD2 3.41Å; G49-H124 VanDerWaalsContact CA-CD2 3.41Å; G49-H124 WeakPolarHBondContact CA-CD2 3.5Å
50	Y	95.9	Very high	95.4	Very high	34 Å²	34	30.1 Å²	30.1	13%	0.133	16%	0.162	C	C	.	.	S	Bend	trans	-69.3	-13.3	-173.4	-68.8	-67.1	0	0	0	115.6	N52 Q55 H124 V233 M235 N236 F237 D388	Y50-N52 PolarHBondContact O-N 3.35Å; Y50-Q55 VanDerWaalsContact CD2-OE1 3.31Å; Y50-H124 AromaticContact CD1-CD2 3.96Å; Y50-H124 HydrophobicContact CD2-CB 3.75Å; Y50-H124 AromaticContact CE1-CD2 3.95Å; Y50-H124 HydrophobicContact CE2-CB 3.39Å; Y50-H124 HydrophobicContact CG-CB 4.47Å; Y50-V233 HydrophobicContact CE1-CG1 4.42Å; Y50-V233 WeakPolarHBondContact OH-CA 3.41Å; Y50-V233 VanDerWaalsContact OH-CB 3.28Å; Y50-V233 WeakPolarHBondContact OH-CB 3.21Å; Y50-V233 PolarHBondContact OH-O 2.88Å; Y50-M235 WeakPolarHBondContact CE2-O 3.36Å; Y50-M235 PolarHBondContact OH-O 3.15Å; Y50-N236 VanDerWaalsContact OH-CA 3.29Å; Y50-N236 WeakPolarHBondContact OH-CA 3.41Å; Y50-F237 HydrophobicContact CD1-CB 3.86Å; Y50-F237 HydrophobicContact CD2-CB 3.73Å; Y50-F237 HydrophobicContact CE1-CB 4.33Å; Y50-F237 HydrophobicContact CE2-CB 4.19Å; Y50-F237 HydrophobicContact CG-CB 3.53Å; Y50-D388 WeakPolarHBondContact CE1-O 3.36Å
51	G	91.4	Very high	95.4	Very high	43 Å²	43	30.1 Å²	30.1	44%	0.443	16%	0.162	S	C	.	.			trans	64.3	23.4	-178.5	0	0	0	0	0	113.5	G49	G49-G51 PolarHBondContact O-N 2.95Å
52	N	91.3	Very high	95.5	Very high	40 Å²	40	30.1 Å²	30.1	21%	0.214	16%	0.162	C	C	.	.			trans	-96.5	113.8	-177.1	-171.7	-32.9	0	0	0	110.9	N46 Y50 K54 Q55	N46-N52 PolarHBondContact ND2-O 2.98Å; Y50-N52 PolarHBondContact O-N 3.35Å; N52-K54 PolarHBondContact O-N 3.25Å; N52-K54 WeakPolarHBondContact OD1-CB 3.32Å; N52-K54 PolarHBondContact OD1-N 2.89Å; N52-Q55 HydrophobicContact CB-CB 4.09Å; N52-Q55 PolarHBondContact O-N 3.41Å
53	M	86.5	Confident	95.5	Very high	107 Å²	107	30.2 Å²	30.2	53%	0.527	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	179.1	-66	-66	-59.2	0	0	114.4	T139 L141	M53-T139 VanDerWaalsContact SD-CA 3.54Å; M53-T139 HydrophobicContact SD-CG2 3.83Å; M53-L141 HydrophobicContact CE-CD2 4.09Å
54	K	90.7	Very high	95.6	Very high	179 Å²	179	30.5 Å²	30.5	78%	0.778	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.1	-179	-60.2	177.8	-178.3	169.5	0	112.9	N52 N56	N52-K54 PolarHBondContact O-N 3.25Å; N52-K54 WeakPolarHBondContact OD1-CB 3.32Å; N52-K54 PolarHBondContact OD1-N 2.89Å; K54-N56 VanDerWaalsContact C-N 3.26Å; K54-N56 PolarHBondContact O-N 3.01Å
55	Q	94.6	Very high	95.9	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.019	15%	0.149	C	C	.	.			trans	-85	68.9	-177.2	-164.1	-169.8	17.2	0	0	110.9	N46 M47 Y50 N52 F237 N239	N46-Q55 WeakPolarHBondContact CA-O 3.29Å; N46-Q55 PolarHBondContact ND2-O 2.55Å; M47-Q55 HydrophobicContact CB-CG 4.15Å; M47-Q55 HydrophobicContact CG-CG 4.26Å; M47-Q55 PolarHBondContact N-O 3.12Å; M47-Q55 HydrophobicContact SD-CG 3.74Å; Y50-Q55 VanDerWaalsContact CD2-OE1 3.31Å; N52-Q55 HydrophobicContact CB-CB 4.09Å; N52-Q55 PolarHBondContact O-N 3.41Å; Q55-F237 WeakPolarHBondContact CG-O 3.45Å; Q55-N239 VanDerWaalsContact CG-O 3.27Å; Q55-N239 WeakPolarHBondContact CG-O 3.19Å; Q55-N239 PolarHBondContact NE2-O 3.1Å; Q55-N239 VanDerWaalsContact NE2-O 3.15Å
56	N	95	Very high	96	Very high	73 Å²	73	27.7 Å²	27.7	39%	0.39	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-89.7	138	171.6	-61.6	-39.5	0	0	0	109.6	I45 N46 K54 T240	I45-N56 CarbonylContact O-C 3.44Å; I45-N56 WeakPolarHBondContact O-CA 3.46Å; N46-N56 WeakPolarHBondContact CA-OD1 3.32Å; N46-N56 PolarHBondContact N-OD1 3Å; N46-N56 PolarHBondContact ND2-OD1 2.87Å; K54-N56 VanDerWaalsContact C-N 3.26Å; K54-N56 PolarHBondContact O-N 3.01Å; N56-T240 WeakPolarHBondContact O-CG2 3.35Å
57	D	96.9	Very high	96.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	15%	0.148	C	C	.	.			trans	-66.4	146.8	174.9	63.7	-0.4	0	0	0	111.2	P41 I42 T43 D44 I45 M47 T240 V242	P41-D57 VanDerWaalsContact O-OD2 3.09Å; I42-D57 VanDerWaalsContact CA-OD2 3.22Å; I42-D57 WeakPolarHBondContact CA-OD2 3.1Å; T43-D57 CarbonylContact C-O 3.6Å; T43-D57 VanDerWaalsContact CA-O 3.31Å; T43-D57 WeakPolarHBondContact CA-O 3.45Å; T43-D57 WeakPolarHBondContact CA-OD1 3.2Å; T43-D57 PolarHBondContact N-OD1 2.95Å; T43-D57 VanDerWaalsContact N-OD1 3.11Å; T43-D57 PolarHBondContact N-OD2 3.41Å; T43-D57 VanDerWaalsContact N-OD2 3.08Å; D44-D57 PolarHBondContact N-O 3.33Å; D44-D57 PolarHBondContact N-OD1 3.31Å; I45-D57 WeakPolarHBondContact CA-OD1 3.3Å; I45-D57 PolarHBondContact N-OD1 3.42Å; I45-D57 VanDerWaalsContact O-CG 3.24Å; I45-D57 PolarHBondContact O-N 3.4Å; M47-D57 HydrophobicContact CG-CB 4.12Å; M47-D57 HydrophobicContact SD-CB 4.41Å; D57-T240 CarbonylContact C-O 3.54Å; D57-T240 WeakPolarHBondContact CA-O 3.42Å; D57-V242 HydrophobicContact CB-CG2 4.09Å
58	N	97	Very high	96.2	Very high	48 Å²	48	27.6 Å²	27.6	26%	0.257	15%	0.148	S	C	.	.			trans	-137.5	8.7	173.1	72.5	-5.1	0	0	0	111.7	I42 T240 W651	I42-N58 CarbonylContact O-C 3.49Å; I42-N58 VanDerWaalsContact O-C 3.31Å; N58-T240 PolarHBondContact N-O 2.64Å; N58-T240 PolarHBondContact ND2-OG1 3.06Å; N58-T240 VanDerWaalsContact OD1-CB 3.31Å; N58-T240 WeakPolarHBondContact OD1-CB 3.33Å; N58-T240 PolarHBondContact OD1-O 2.89Å; N58-T240 PolarHBondContact OD1-OG1 3.19Å; N58-W651 WeakPolarHBondContact O-CA 3.45Å; N58-W651 PolarHBondContact O-N 2.86Å
59	G	98.2	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-169.1	-177.4	0	0	0	0	0	114.1	I42 V242 F649	I42-G59 WeakPolarHBondContact O-CA 3.38Å; I42-G59 PolarHBondContact O-N 3.37Å; G59-V242 PolarHBondContact O-N 3.07Å; G59-F649 CarbonylContact C-O 3.55Å; G59-F649 WeakPolarHBondContact CA-O 3.38Å
60	L	98.7	Very high	96.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.8	-176.8	179.6	62.9	0	0	0	109.4	T39 I42 L62 R63 V242 Y623 D642 F649	T39-L60 HydrophobicContact CG2-CD1 4.25Å; I42-L60 HydrophobicContact CB-CB 4.34Å; I42-L60 HydrophobicContact CD1-CB 3.82Å; I42-L60 HydrophobicContact CG2-CB 4.13Å; I42-L60 HydrophobicContact CG2-CD1 4.16Å; I42-L60 HydrophobicContact CG2-CD2 4.49Å; L60-L62 VanDerWaalsContact CD1-O 3.27Å; L60-L62 WeakPolarHBondContact CD1-O 3.28Å; L60-R63 HydrophobicContact CD2-CG 4.31Å; L60-V242 HydrophobicContact CD1-CB 3.84Å; L60-V242 HydrophobicContact CD1-CG1 3.87Å; L60-Y623 HydrophobicContact CD2-CD2 4.19Å; L60-Y623 HydrophobicContact CD2-CE2 4.48Å; L60-D642 HydrophobicContact CD2-CB 3.74Å; L60-F649 HydrophobicContact CB-CB 4.35Å; L60-F649 PolarHBondContact N-O 2.87Å; L60-F649 PolarHBondContact O-N 3.04Å
61	H	98.5	Very high	96.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-112	-51.7	170.7	170.8	-146.1	0	0	0	110.6	L241 V242 S243 F321 W645	H61-L241 HydrophobicContact CB-CB 3.88Å; H61-L241 HydrophobicContact CB-CD1 4.12Å; H61-V242 PolarHBondContact N-O 2.87Å; H61-S243 PolarHBondContact ND1-OG 3.28Å; H61-F321 AromaticContact CE1-CD1 3.54Å; H61-F321 AromaticContact CE1-CE1 3.83Å; H61-F321 AromaticContact ND1-CD1 3.91Å; H61-F321 AromaticContact ND1-CE1 3.75Å; H61-F321 AromaticContact NE2-CD1 3.92Å; H61-W645 AromaticContact CE1-CE3 3.46Å; H61-W645 VanDerWaalsContact CE1-CE3 3.46Å; H61-W645 AromaticContact CE1-CH2 3.65Å; H61-W645 AromaticContact CE1-CZ3 3.13Å; H61-W645 WeakPolarHBondContact CE1-CZ3 3.44Å; H61-W645 AromaticContact NE2-CD2 3.76Å; H61-W645 AromaticContact NE2-CE3 3.36Å; H61-W645 AromaticContact NE2-CZ3 3.52Å
62	L	98.3	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-131.9	134.4	175.8	-63.2	174.4	0	0	0	109.6	L60 V242 S244 L249 I252 W645	L60-L62 VanDerWaalsContact CD1-O 3.27Å; L60-L62 WeakPolarHBondContact CD1-O 3.28Å; L62-V242 PolarHBondContact N-O 2.93Å; L62-V242 VanDerWaalsContact N-O 3.14Å; L62-S244 WeakPolarHBondContact CD1-OG 3.42Å; L62-L249 HydrophobicContact CD1-CB 4.05Å; L62-L249 HydrophobicContact CD1-CD1 4.21Å; L62-I252 HydrophobicContact CB-CD1 4.44Å; L62-I252 HydrophobicContact CD1-CD1 4.38Å; L62-I252 HydrophobicContact CD2-CD1 4.02Å; L62-W645 HydrophobicContact CD1-CE3 4.16Å; L62-W645 HydrophobicContact CD1-CZ3 4.36Å; L62-W645 HydrophobicContact CD2-CB 4.49Å; L62-W645 HydrophobicContact CD2-CE3 4.4Å
63	R	98.4	Very high	96.8	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.011	11%	0.109	C	C	.	.			trans	-60	153.1	169.1	-74.4	-80.5	-176.1	177.3	-15.3	110.7	D37 T39 L60 F65 V617 F618 D642 A643	D37-R63 IonicContact OD2-CZ 3.52Å; D37-R63 IonicContact OD2-NE 3.42Å; D37-R63 IonicContact OD2-NH1 3.74Å; D37-R63 PolarHBondContact OD2-NH1 3.12Å; T39-R63 WeakPolarHBondContact OG1-CD 3.48Å; L60-R63 HydrophobicContact CD2-CG 4.31Å; R63-F65 HydrophobicContact CB-CE1 4.33Å; R63-F65 HydrophobicContact CB-CE2 3.7Å; R63-F65 HydrophobicContact CB-CZ 3.59Å; R63-F65 HydrophobicContact CG-CZ 4.45Å; R63-V617 PolarHBondContact NH1-O 3.02Å; R63-V617 VanDerWaalsContact NH1-O 3.1Å; R63-F618 PolarHBondContact NH1-O 2.79Å; R63-F618 VanDerWaalsContact NH1-O 3.13Å; R63-F618 PolarHBondContact NH2-O 2.88Å; R63-D642 IonicContact CZ-OD1 3.75Å; R63-D642 IonicContact CZ-OD2 3.7Å; R63-D642 IonicContact NE-OD1 3.11Å; R63-D642 PolarHBondContact NE-OD1 2.84Å; R63-D642 IonicContact NE-OD2 2.82Å; R63-D642 PolarHBondContact NE-OD2 3.47Å; R63-D642 IonicContact NH2-OD1 3.29Å; R63-D642 IonicContact NH2-OD2 3.54Å; R63-D642 PolarHBondContact NH2-OD2 2.99Å; R63-A643 HydrophobicContact CB-CB 4.09Å; R63-A643 HydrophobicContact CG-CB 3.77Å
64	L	98.8	Very high	97	Very high	6 Å²	6	21 Å²	21	3%	0.031	10%	0.101	C	C	.	.			trans	-103.1	131.3	176.8	-52.9	-178.6	0	0	0	108.9	D37 I38 T39 D86 V242	D37-L64 VanDerWaalsContact OD1-O 3.1Å; I38-L64 HydrophobicContact CD1-CB 4.33Å; I38-L64 VanDerWaalsContact CG1-C 3.46Å; I38-L64 HydrophobicContact CG1-CB 3.84Å; I38-L64 WeakPolarHBondContact CG1-O 3.22Å; I38-L64 PolarHBondContact N-O 3.25Å; T39-L64 PolarHBondContact N-O 2.96Å; T39-L64 PolarHBondContact OG1-N 2.64Å; T39-L64 PolarHBondContact OG1-O 2.93Å; L64-D86 HydrophobicContact CB-CB 3.95Å; L64-D86 WeakPolarHBondContact CB-O 3.47Å; L64-D86 HydrophobicContact CD2-CB 4.04Å; L64-V242 HydrophobicContact CD1-CG1 3.89Å; L64-V242 HydrophobicContact CD2-CG1 4.2Å; L64-V242 HydrophobicContact CG-CG1 3.93Å
65	F	98.8	Very high	96.9	Very high	5 Å²	5	17 Å²	17	2%	0.022	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.1	-178.3	-61	-78.7	0	0	0	113.1	I35 H36 D37 I38 R63 D86 A643	I35-F65 HydrophobicContact CD1-CB 4.04Å; I35-F65 HydrophobicContact CD1-CD1 4.11Å; I35-F65 HydrophobicContact CD1-CG 4.02Å; I35-F65 HydrophobicContact CG1-CB 4.05Å; I35-F65 HydrophobicContact CG1-CD1 4.06Å; I35-F65 HydrophobicContact CG1-CG 4.25Å; H36-F65 WeakPolarHBondContact O-CA 3.4Å; D37-F65 HydrophobicContact CB-CD1 4.41Å; D37-F65 HydrophobicContact CB-CE1 4.31Å; I38-F65 WeakPolarHBondContact CD1-O 3.31Å; R63-F65 HydrophobicContact CB-CE1 4.33Å; R63-F65 HydrophobicContact CB-CE2 3.7Å; R63-F65 HydrophobicContact CB-CZ 3.59Å; R63-F65 HydrophobicContact CG-CZ 4.45Å; F65-D86 PolarHBondContact N-OD2 2.94Å; F65-D86 PolarHBondContact O-N 3.21Å; F65-A643 HydrophobicContact CZ-CB 4.44Å
66	S	98.9	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.9	160.5	175.9	0	0	0	0	109	I35 H36 V83 S158	I35-S66 CarbonylContact C-O 3.48Å; I35-S66 VanDerWaalsContact CA-O 3.31Å; I35-S66 WeakPolarHBondContact CA-O 3.34Å; H36-S66 PolarHBondContact N-O 2.89Å; H36-S66 PolarHBondContact O-N 3.06Å; S66-V83 WeakPolarHBondContact OG-CG1 3.36Å; S66-S158 WeakPolarHBondContact O-CB 3.43Å; S66-S158 PolarHBondContact OG-OG 3.09Å
67	R	98.9	Very high	96.5	Very high	2 Å²	2	20 Å²	20	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.6	179.2	-64	-178.3	176.3	84.9	-2.1	109.4	G34 I35 F69 V83 I84 D86 E255 V270 A271 A272	G34-R67 CarbonylContact O-C 3.55Å; G34-R67 WeakPolarHBondContact O-CA 3.25Å; I35-R67 HydrophobicContact CD1-CG 4.05Å; I35-R67 HydrophobicContact CG1-CG 4.13Å; R67-F69 HydrophobicContact CB-CE2 4.03Å; R67-V83 CarbonylContact O-C 3.56Å; R67-V83 WeakPolarHBondContact O-CA 3.27Å; R67-I84 PolarHBondContact N-O 2.97Å; R67-I84 PolarHBondContact O-N 2.96Å; R67-D86 IonicContact CZ-OD2 3.13Å; R67-D86 IonicContact NH1-OD1 3.78Å; R67-D86 IonicContact NH1-OD2 2.92Å; R67-D86 PolarHBondContact NH1-OD2 2.81Å; R67-E255 IonicContact CZ-OE1 2.72Å; R67-E255 IonicContact CZ-OE2 2.65Å; R67-E255 IonicContact NE-OE1 2.59Å; R67-E255 PolarHBondContact NE-OE1 3.11Å; R67-E255 IonicContact NE-OE2 3.9Å; R67-E255 IonicContact NH2-OE1 2.71Å; R67-E255 IonicContact NH2-OE2 2.73Å; R67-E255 PolarHBondContact NH2-OE2 3.03Å; R67-V270 HydrophobicContact CB-CG1 3.69Å; R67-V270 HydrophobicContact CG-CG1 3.77Å; R67-A271 WeakPolarHBondContact CD-O 3.11Å; R67-A271 PolarHBondContact NE-O 2.82Å; R67-A272 HydrophobicContact CB-CB 4.07Å
68	A	98.9	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.8	-175.3	0	0	0	0	0	111.7	V33 G34 I82 V83 I159 A162	V33-A68 WeakPolarHBondContact CA-O 3.3Å; G34-A68 PolarHBondContact N-O 3.47Å; G34-A68 PolarHBondContact O-N 3.43Å; A68-I82 CarbonylContact C-O 3.57Å; A68-I82 WeakPolarHBondContact CA-O 3.39Å; A68-V83 HydrophobicContact CB-CG2 4.06Å; A68-I159 HydrophobicContact CB-CG1 3.99Å; A68-A162 HydrophobicContact CB-CB 4.09Å
69	F	98.9	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.3	178.3	-57	-99.4	0	0	0	108	G32 V33 R67 V81 I82 F214 M224 I225 V270 A272	G32-F69 CarbonylContact O-C 3.6Å; G32-F69 WeakPolarHBondContact O-CA 3.38Å; V33-F69 HydrophobicContact CG1-CD1 3.76Å; V33-F69 HydrophobicContact CG1-CE1 4.06Å; R67-F69 HydrophobicContact CB-CE2 4.03Å; F69-V81 CarbonylContact O-C 3.54Å; F69-V81 WeakPolarHBondContact O-CA 3.44Å; F69-I82 PolarHBondContact N-O 3.07Å; F69-I82 PolarHBondContact O-N 2.85Å; F69-F214 AromaticContact CD1-CD2 3.85Å; F69-F214 HydrophobicContact CD1-CD2 3.85Å; F69-F214 AromaticContact CD1-CE2 3.57Å; F69-F214 HydrophobicContact CD1-CE2 3.57Å; F69-F214 HydrophobicContact CD1-CZ 4.16Å; F69-F214 HydrophobicContact CE1-CD2 4.07Å; F69-F214 AromaticContact CE1-CE2 3.95Å; F69-F214 HydrophobicContact CE1-CE2 3.95Å; F69-F214 HydrophobicContact CG-CE2 4.37Å; F69-M224 WeakPolarHBondContact CE1-O 3.45Å; F69-M224 WeakPolarHBondContact CZ-O 3.33Å; F69-I225 HydrophobicContact CB-CD1 4.06Å; F69-I225 HydrophobicContact CD1-CD1 4.07Å; F69-I225 HydrophobicContact CD1-CG1 3.89Å; F69-I225 HydrophobicContact CD2-CD1 3.54Å; F69-I225 HydrophobicContact CD2-CG1 3.55Å; F69-I225 HydrophobicContact CE1-CD1 4.44Å; F69-I225 HydrophobicContact CE1-CG1 3.76Å; F69-I225 HydrophobicContact CE2-CD1 3.97Å; F69-I225 HydrophobicContact CE2-CG1 3.41Å; F69-I225 VanDerWaalsContact CE2-CG1 3.41Å; F69-I225 HydrophobicContact CG-CD1 3.61Å; F69-I225 HydrophobicContact CG-CG1 3.81Å; F69-I225 HydrophobicContact CZ-CD1 4.4Å; F69-I225 HydrophobicContact CZ-CG1 3.52Å; F69-V270 HydrophobicContact CE1-CB 4.5Å; F69-V270 HydrophobicContact CE1-CG1 4.42Å; F69-V270 HydrophobicContact CE2-CG1 4.37Å; F69-V270 HydrophobicContact CZ-CB 4.36Å; F69-V270 HydrophobicContact CZ-CG1 3.83Å; F69-A272 HydrophobicContact CE2-CB 3.62Å; F69-A272 HydrophobicContact CZ-CB 3.83Å
70	I	98.7	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.1	176.5	-60.6	-171.8	0	0	0	108.1	I31 G32 P79 I80 V81 F111 I159 A162 Y163 M166	I31-I70 CarbonylContact C-O 3.47Å; I31-I70 VanDerWaalsContact CA-O 3.29Å; I31-I70 WeakPolarHBondContact CA-O 3.44Å; G32-I70 PolarHBondContact N-O 2.98Å; G32-I70 PolarHBondContact O-N 2.85Å; I70-P79 HydrophobicContact CG2-CB 3.76Å; I70-I80 WeakPolarHBondContact CA-O 3.28Å; I70-V81 HydrophobicContact CD1-CG2 4.31Å; I70-V81 HydrophobicContact CG1-CG1 4.12Å; I70-V81 HydrophobicContact CG1-CG2 4.03Å; I70-F111 HydrophobicContact CD1-CE1 4.2Å; I70-F111 HydrophobicContact CD1-CZ 4.1Å; I70-I159 HydrophobicContact CD1-CG2 4.17Å; I70-A162 HydrophobicContact CD1-CB 3.99Å; I70-A162 HydrophobicContact CG1-CB 3.82Å; I70-Y163 HydrophobicContact CD1-CD2 4Å; I70-Y163 HydrophobicContact CD1-CG 4.35Å; I70-M166 HydrophobicContact CG2-SD 3.86Å
71	I	98.6	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	177.4	-58.3	134.2	0	0	0	107.6	Y29 L30 P79 I80 I82 I171 F214 V350 I454	Y29-I71 HydrophobicContact CD1-CG2 4.14Å; Y29-I71 HydrophobicContact CG-CG2 4.18Å; L30-I71 WeakPolarHBondContact O-CA 3.32Å; I71-P79 CarbonylContact O-C 3.54Å; I71-P79 WeakPolarHBondContact O-CA 3.06Å; I71-I80 HydrophobicContact CB-CD1 4.33Å; I71-I80 HydrophobicContact CB-CG1 3.89Å; I71-I80 HydrophobicContact CD1-CD1 4.09Å; I71-I80 HydrophobicContact CD1-CG1 4.25Å; I71-I80 PolarHBondContact N-O 2.91Å; I71-I80 PolarHBondContact O-N 2.86Å; I71-I82 HydrophobicContact CD1-CD1 4.33Å; I71-I171 HydrophobicContact CD1-CD1 4.38Å; I71-I171 HydrophobicContact CG1-CD1 4.05Å; I71-I171 HydrophobicContact CG2-CD1 3.77Å; I71-F214 HydrophobicContact CD1-CE1 3.88Å; I71-F214 HydrophobicContact CD1-CZ 4.33Å; I71-F214 HydrophobicContact CG1-CE1 4Å; I71-V350 HydrophobicContact CG2-CG2 3.98Å; I71-I454 HydrophobicContact CD1-CD1 3.77Å
72	Q	96.3	Very high	96.3	Very high	6 Å²	6	21 Å²	21	3%	0.028	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.4	-176.8	-171.3	-172.4	21.2	0	0	108.7	L30 N74 S77 P79	L30-Q72 HydrophobicContact CB-CB 4.18Å; L30-Q72 PolarHBondContact N-O 3.01Å; L30-Q72 PolarHBondContact O-N 3.35Å; Q72-N74 WeakPolarHBondContact CG-O 3.34Å; Q72-N74 PolarHBondContact NE2-O 3.1Å; Q72-N74 VanDerWaalsContact NE2-O 3.13Å; Q72-S77 VanDerWaalsContact CG-OG 3.24Å; Q72-S77 WeakPolarHBondContact CG-OG 3.41Å; Q72-S77 PolarHBondContact NE2-O 2.94Å; Q72-P79 HydrophobicContact CB-CB 4.05Å; Q72-P79 HydrophobicContact CG-CB 4.23Å
73	E	93.6	Very high	96.4	Very high	43 Å²	43	21 Å²	21	20%	0.201	13%	0.126	C	C	.	.	S	Bend	trans	-63.9	-45.2	-179.3	-178.4	179.8	170.1	0	0	111.6	I26 S77 V350	I26-E73 HydrophobicContact CD1-CG 3.88Å; I26-E73 VanDerWaalsContact CD1-OE1 3.23Å; I26-E73 WeakPolarHBondContact CD1-OE1 3.38Å; I26-E73 HydrophobicContact CG1-CG 4.26Å; I26-E73 HydrophobicContact CG2-CG 4.43Å; E73-S77 PolarHBondContact N-OG 2.96Å; E73-S77 VanDerWaalsContact N-OG 3.15Å; E73-V350 HydrophobicContact CB-CB 4.44Å; E73-V350 HydrophobicContact CB-CG2 4.31Å
74	N	90.5	Very high	96.4	Very high	66 Å²	66	20.9 Å²	20.9	35%	0.353	13%	0.126	S	C	.	.	S	Bend	trans	-158.3	169.3	174.4	59.1	72	0	0	0	109.7	Q72 S76 S77	Q72-N74 WeakPolarHBondContact CG-O 3.34Å; Q72-N74 PolarHBondContact NE2-O 3.1Å; Q72-N74 VanDerWaalsContact NE2-O 3.13Å; N74-S76 PolarHBondContact O-N 2.9Å; N74-S76 WeakPolarHBondContact OD1-CA 3.34Å; N74-S76 WeakPolarHBondContact OD1-CB 3.31Å; N74-S76 PolarHBondContact OD1-N 3.36Å; N74-S77 PolarHBondContact N-OG 3.08Å; N74-S77 PolarHBondContact O-N 3.12Å; N74-S77 PolarHBondContact O-OG 3.19Å; N74-S77 VanDerWaalsContact O-OG 3.1Å; N74-S77 PolarHBondContact OD1-N 3.14Å; N74-S77 VanDerWaalsContact OD1-N 3.14Å
75	S	88.5	Confident	96.4	Very high	97 Å²	97	20.7 Å²	20.7	68%	0.678	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.4	-175.6	57.2	0	0	0	0	115.3
76	S	88.4	Confident	96.4	Very high	113 Å²	113	20.5 Å²	20.5	79%	0.79	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.1	178.7	-55	0	0	0	0	113.6	N74	N74-S76 PolarHBondContact O-N 2.9Å; N74-S76 WeakPolarHBondContact OD1-CA 3.34Å; N74-S76 WeakPolarHBondContact OD1-CB 3.31Å; N74-S76 PolarHBondContact OD1-N 3.36Å
77	S	91.7	Very high	96.4	Very high	25 Å²	25	20.8 Å²	20.8	18%	0.175	13%	0.126	C	C	.	.	S	Bend	trans	-81.6	160.1	179.4	80.7	0	0	0	0	111	Q72 E73 N74	Q72-S77 VanDerWaalsContact CG-OG 3.24Å; Q72-S77 WeakPolarHBondContact CG-OG 3.41Å; Q72-S77 PolarHBondContact NE2-O 2.94Å; E73-S77 PolarHBondContact N-OG 2.96Å; E73-S77 VanDerWaalsContact N-OG 3.15Å; N74-S77 PolarHBondContact N-OG 3.08Å; N74-S77 PolarHBondContact O-N 3.12Å; N74-S77 PolarHBondContact O-OG 3.19Å; N74-S77 VanDerWaalsContact O-OG 3.1Å; N74-S77 PolarHBondContact OD1-N 3.14Å; N74-S77 VanDerWaalsContact OD1-N 3.14Å
78	Q	93.2	Very high	96.4	Very high	75 Å²	75	20.7 Å²	20.7	35%	0.35	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-71.2	138.5	167.6	-80.3	-80.3	-33	0	0	109.9	G109 L110 N115 F352	Q78-G109 PolarHBondContact NE2-O 2.91Å; Q78-G109 PolarHBondContact OE1-O 3.28Å; Q78-G109 VanDerWaalsContact OE1-O 3.1Å; Q78-L110 PolarHBondContact OE1-O 2.88Å; Q78-L110 VanDerWaalsContact OE1-O 3.12Å; Q78-N115 PolarHBondContact OE1-ND2 3.27Å; Q78-F352 HydrophobicContact CB-CE1 3.75Å; Q78-F352 HydrophobicContact CB-CZ 4.11Å; Q78-F352 HydrophobicContact CG-CZ 4.46Å
79	P	96.9	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-78.5	161	173.1	32.4	-33.7	0	0	0	110.6	I70 I71 Q72 L110 F111 N115	I70-P79 HydrophobicContact CG2-CB 3.76Å; I71-P79 CarbonylContact O-C 3.54Å; I71-P79 WeakPolarHBondContact O-CA 3.06Å; Q72-P79 HydrophobicContact CB-CB 4.05Å; Q72-P79 HydrophobicContact CG-CB 4.23Å; P79-L110 HydrophobicContact CG-CD1 3.99Å; P79-L110 HydrophobicContact CG-CG 4.47Å; P79-F111 HydrophobicContact CG-CD1 4.4Å; P79-F111 HydrophobicContact CG-CE1 3.92Å; P79-N115 VanDerWaalsContact O-CB 3.29Å; P79-N115 WeakPolarHBondContact O-CB 3.17Å; P79-N115 PolarHBondContact O-ND2 3.49Å
80	I	98.5	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.6	152.2	61.6	172	0	0	0	109.2	I70 I71 N115 V350 F352 V452 I454	I70-I80 WeakPolarHBondContact CA-O 3.28Å; I71-I80 HydrophobicContact CB-CD1 4.33Å; I71-I80 HydrophobicContact CB-CG1 3.89Å; I71-I80 HydrophobicContact CD1-CD1 4.09Å; I71-I80 HydrophobicContact CD1-CG1 4.25Å; I71-I80 PolarHBondContact N-O 2.91Å; I71-I80 PolarHBondContact O-N 2.86Å; I80-N115 CarbonylContact C-O 3.42Å; I80-N115 WeakPolarHBondContact CA-O 3.26Å; I80-V350 HydrophobicContact CB-CG1 4.17Å; I80-V350 HydrophobicContact CD1-CG1 4.13Å; I80-V350 HydrophobicContact CG1-CG1 3.75Å; I80-V350 HydrophobicContact CG2-CG1 3.62Å; I80-F352 HydrophobicContact CG2-CB 4.25Å; I80-F352 HydrophobicContact CG2-CD1 3.88Å; I80-V452 HydrophobicContact CB-CB 4.4Å; I80-V452 HydrophobicContact CB-CG1 4.46Å; I80-V452 HydrophobicContact CD1-CB 4.17Å; I80-V452 HydrophobicContact CD1-CG2 4.21Å; I80-V452 HydrophobicContact CG2-CB 4.07Å; I80-V452 HydrophobicContact CG2-CG1 4.17Å; I80-I454 HydrophobicContact CD1-CD1 4.16Å; I80-I454 HydrophobicContact CD1-CG1 3.7Å
81	V	98.8	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.4	176.2	-172.4	0	0	0	0	108.5	F69 I70 V83 F111 N115 V116 L117 I159	F69-V81 CarbonylContact O-C 3.54Å; F69-V81 WeakPolarHBondContact O-CA 3.44Å; I70-V81 HydrophobicContact CD1-CG2 4.31Å; I70-V81 HydrophobicContact CG1-CG1 4.12Å; I70-V81 HydrophobicContact CG1-CG2 4.03Å; V81-V83 HydrophobicContact CG1-CG2 3.9Å; V81-F111 HydrophobicContact CG2-CD1 3.59Å; V81-F111 HydrophobicContact CG2-CE1 3.44Å; V81-F111 VanDerWaalsContact CG2-CE1 3.44Å; V81-N115 PolarHBondContact N-O 3.46Å; V81-V116 HydrophobicContact CB-CB 4.41Å; V81-V116 HydrophobicContact CB-CG1 4.3Å; V81-V116 HydrophobicContact CB-CG2 4.16Å; V81-V116 HydrophobicContact CG1-CG1 4.49Å; V81-V116 HydrophobicContact CG2-CG2 4.15Å; V81-V116 CarbonylContact O-C 3.55Å; V81-L117 PolarHBondContact O-N 3.13Å; V81-I159 HydrophobicContact CG1-CD1 4.18Å; V81-I159 HydrophobicContact CG1-CG1 3.95Å; V81-I159 HydrophobicContact CG1-CG2 4.4Å
82	I	98.9	Very high	96.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.2	174.3	-56.1	172.3	0	0	0	107.2	A68 F69 I71 I84 L117 I225 V452 I459	A68-I82 CarbonylContact C-O 3.57Å; A68-I82 WeakPolarHBondContact CA-O 3.39Å; F69-I82 PolarHBondContact N-O 3.07Å; F69-I82 PolarHBondContact O-N 2.85Å; I71-I82 HydrophobicContact CD1-CD1 4.33Å; I82-I84 HydrophobicContact CG2-CD1 4.2Å; I82-L117 HydrophobicContact CG2-CD2 4.41Å; I82-I225 HydrophobicContact CB-CD1 4.34Å; I82-I225 HydrophobicContact CD1-CD1 4.43Å; I82-I225 HydrophobicContact CG2-CD1 4.04Å; I82-V452 HydrophobicContact CD1-CG2 4.44Å; I82-V452 HydrophobicContact CG1-CG2 4.49Å; I82-I459 HydrophobicContact CD1-CD1 3.51Å
83	V	99	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.9	178.2	-172.9	0	0	0	0	109.6	S66 R67 A68 V81 I85 L117 I118 S119 I155 I159	S66-V83 WeakPolarHBondContact OG-CG1 3.36Å; R67-V83 CarbonylContact O-C 3.56Å; R67-V83 WeakPolarHBondContact O-CA 3.27Å; A68-V83 HydrophobicContact CB-CG2 4.06Å; V81-V83 HydrophobicContact CG1-CG2 3.9Å; V83-I85 HydrophobicContact CG1-CG2 3.88Å; V83-L117 PolarHBondContact N-O 3.02Å; V83-I118 HydrophobicContact CB-CB 4.49Å; V83-I118 HydrophobicContact CB-CG1 4.22Å; V83-I118 HydrophobicContact CB-CG2 4.3Å; V83-I118 HydrophobicContact CG1-CG2 4.48Å; V83-I118 HydrophobicContact CG2-CG1 4.42Å; V83-I118 CarbonylContact O-C 3.31Å; V83-I118 WeakPolarHBondContact O-CA 3.49Å; V83-S119 PolarHBondContact O-N 3.05Å; V83-I155 HydrophobicContact CG1-CG2 4.26Å; V83-I159 HydrophobicContact CG2-CD1 3.92Å; V83-I159 HydrophobicContact CG2-CG1 3.86Å
84	I	98.9	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.2	170.8	-50.2	-54.3	0	0	0	108.4	R67 I82 S119 T121 I225 A272 A274	R67-I84 PolarHBondContact N-O 2.97Å; R67-I84 PolarHBondContact O-N 2.96Å; I82-I84 HydrophobicContact CG2-CD1 4.2Å; I84-S119 CarbonylContact C-O 3.54Å; I84-S119 WeakPolarHBondContact CA-O 3.37Å; I84-T121 HydrophobicContact CG2-CG2 3.81Å; I84-I225 HydrophobicContact CG1-CG2 4.3Å; I84-A272 HydrophobicContact CB-CB 3.83Å; I84-A272 HydrophobicContact CG1-CB 3.74Å; I84-A272 HydrophobicContact CG2-CB 4.3Å; I84-A274 HydrophobicContact CD1-CB 3.67Å; I84-A274 HydrophobicContact CG1-CB 4.13Å; I84-A274 HydrophobicContact CG2-CB 4.41Å
85	I	98.9	Very high	96.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	-179.8	61.2	170.5	0	0	0	111.9	I38 V83 A87 V90 I118 S119 A120 T121 L151 I155	I38-I85 HydrophobicContact CD1-CB 3.83Å; I38-I85 HydrophobicContact CD1-CG2 4.26Å; V83-I85 HydrophobicContact CG1-CG2 3.88Å; I85-A87 HydrophobicContact CD1-CB 3.71Å; I85-A87 HydrophobicContact CG1-CB 3.96Å; I85-A87 PolarHBondContact O-N 3.25Å; I85-V90 HydrophobicContact CD1-CG2 3.99Å; I85-V90 HydrophobicContact CG1-CG2 4.33Å; I85-I118 HydrophobicContact CD1-CG2 4.32Å; I85-I118 HydrophobicContact CG1-CG2 4.47Å; I85-I118 HydrophobicContact CG2-CG2 4.27Å; I85-S119 WeakPolarHBondContact CG1-O 3.03Å; I85-S119 PolarHBondContact N-O 3.27Å; I85-A120 HydrophobicContact CD1-CB 4.37Å; I85-A120 HydrophobicContact CG1-CB 3.86Å; I85-A120 CarbonylContact O-C 3.5Å; I85-A120 WeakPolarHBondContact O-CA 3.38Å; I85-T121 PolarHBondContact O-N 2.95Å; I85-L151 HydrophobicContact CD1-CD1 4.17Å; I85-I155 HydrophobicContact CD1-CD1 4.45Å; I85-I155 HydrophobicContact CG2-CD1 3.92Å; I85-I155 HydrophobicContact CG2-CG1 3.73Å
86	D	98.9	Very high	97.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.078	C	C	.	.	S	Bend	trans	-74.5	78.6	167.6	-65.9	-44.7	0	0	0	110	L64 F65 R67 T121	L64-D86 HydrophobicContact CB-CB 3.95Å; L64-D86 WeakPolarHBondContact CB-O 3.47Å; L64-D86 HydrophobicContact CD2-CB 4.04Å; F65-D86 PolarHBondContact N-OD2 2.94Å; F65-D86 PolarHBondContact O-N 3.21Å; R67-D86 IonicContact CZ-OD2 3.13Å; R67-D86 IonicContact NH1-OD1 3.78Å; R67-D86 IonicContact NH1-OD2 2.92Å; R67-D86 PolarHBondContact NH1-OD2 2.81Å; D86-T121 WeakPolarHBondContact CA-OG1 3.46Å; D86-T121 VanDerWaalsContact OD1-CG2 3.3Å; D86-T121 WeakPolarHBondContact OD1-CG2 3.29Å; D86-T121 PolarHBondContact OD1-OG1 2.94Å
87	A	98.8	Very high	97.6	Very high	6 Å²	6	10.2 Å²	10.2	5%	0.05	5%	0.053	C	C	.	.	S	Bend	trans	-143.5	166.1	178.5	0	0	0	0	0	111	I85 H122 T123	I85-A87 HydrophobicContact CD1-CB 3.71Å; I85-A87 HydrophobicContact CG1-CB 3.96Å; I85-A87 PolarHBondContact O-N 3.25Å; A87-H122 WeakPolarHBondContact O-CA 3.5Å; A87-H122 PolarHBondContact O-N 2.92Å; A87-T123 PolarHBondContact O-N 3.49Å
88	G	98.4	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-63.4	-42.4	175	0	0	0	0	0	112.6	H122 T123 Y130 L504	G88-H122 WeakPolarHBondContact O-CA 3.47Å; G88-H122 PolarHBondContact O-ND1 3.27Å; G88-T123 WeakPolarHBondContact CA-O 3.32Å; G88-T123 PolarHBondContact N-O 3.35Å; G88-Y130 PolarHBondContact N-OH 3.44Å; G88-L504 WeakPolarHBondContact O-CD2 3.39Å
89	M	98.1	Very high	98.2	Very high	7 Å²	7	5.5 Å²	5.5	3%	0.034	3%	0.028	C	C	.	.	S	Bend	trans	-164.2	166.2	177.6	47.4	-87.1	-81.3	0	0	110.3	M48 Y130 L131 L504 Y508	M48-M89 HydrophobicContact CG-SD 3.61Å; M48-M89 HydrophobicContact SD-SD 4.26Å; M89-Y130 PolarHBondContact N-OH 3.3Å; M89-Y130 VanDerWaalsContact O-CE2 3.28Å; M89-Y130 WeakPolarHBondContact O-CE2 3.4Å; M89-Y130 PolarHBondContact O-OH 3.05Å; M89-L131 HydrophobicContact CG-CD1 3.93Å; M89-L131 HydrophobicContact CG-CD2 4.09Å; M89-L131 HydrophobicContact SD-CD1 4.07Å; M89-L504 HydrophobicContact CB-CD2 3.9Å; M89-Y508 HydrophobicContact CB-CD2 3.66Å; M89-Y508 HydrophobicContact CB-CE2 4.35Å; M89-Y508 HydrophobicContact CB-CG 3.79Å; M89-Y508 HydrophobicContact CE-CD1 3.61Å; M89-Y508 HydrophobicContact CE-CD2 4Å; M89-Y508 HydrophobicContact CE-CE1 3.28Å; M89-Y508 HydrophobicContact CE-CE2 3.72Å; M89-Y508 HydrophobicContact CE-CG 3.95Å; M89-Y508 HydrophobicContact CG-CD1 4.09Å; M89-Y508 HydrophobicContact CG-CD2 4.06Å; M89-Y508 HydrophobicContact CG-CG 3.73Å
90	V	98	Very high	98.1	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	4%	0.043	C	C	.	.			trans	-85.5	131.5	173.7	-176.3	0	0	0	0	110.6	I85 I118 A120 L504 N506 V507 Y508	I85-V90 HydrophobicContact CD1-CG2 3.99Å; I85-V90 HydrophobicContact CG1-CG2 4.33Å; V90-I118 HydrophobicContact CG1-CB 4.14Å; V90-I118 HydrophobicContact CG1-CG2 4Å; V90-I118 HydrophobicContact CG2-CB 4.43Å; V90-I118 HydrophobicContact CG2-CG2 3.85Å; V90-A120 HydrophobicContact CG2-CB 3.94Å; V90-L504 WeakPolarHBondContact CB-O 3.07Å; V90-L504 WeakPolarHBondContact CG2-O 3.32Å; V90-N506 WeakPolarHBondContact CG1-O 3.39Å; V90-V507 CarbonylContact O-C 3.55Å; V90-Y508 PolarHBondContact O-N 3.27Å
91	S	97	Very high	98.1	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	5%	0.054	C	C	.	.			trans	-92	133.6	175.8	169.4	0	0	0	0	111.1	A93 V94 K95 Y130	S91-A93 PolarHBondContact O-N 3.45Å; S91-A93 PolarHBondContact OG-N 2.89Å; S91-V94 WeakPolarHBondContact O-CB 3.35Å; S91-V94 PolarHBondContact O-N 3.21Å; S91-V94 VanDerWaalsContact O-N 3.08Å; S91-V94 PolarHBondContact OG-N 2.9Å; S91-K95 PolarHBondContact O-N 2.87Å; S91-Y130 VanDerWaalsContact CB-O 3.25Å; S91-Y130 WeakPolarHBondContact CB-O 3.41Å; S91-Y130 PolarHBondContact OG-O 3.19Å
92	Q	97.2	Very high	98	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.014	5%	0.054	C	C	.	.	H	α-helix	trans	-58	-37.2	172.8	-169.5	170.5	48.3	0	0	111.4	K95 I96 Y133 I446 V507 A561	Q92-K95 PolarHBondContact O-N 3.46Å; Q92-I96 HydrophobicContact CG-CD1 3.99Å; Q92-I96 WeakPolarHBondContact O-CB 3.4Å; Q92-I96 WeakPolarHBondContact O-CD1 3.06Å; Q92-I96 WeakPolarHBondContact O-CG1 3.32Å; Q92-I96 PolarHBondContact O-N 2.93Å; Q92-Y133 PolarHBondContact OE1-OH 2.96Å; Q92-I446 PolarHBondContact NE2-O 2.59Å; Q92-V507 HydrophobicContact CB-CB 4.03Å; Q92-V507 HydrophobicContact CB-CG2 3.8Å; Q92-V507 HydrophobicContact CG-CB 4.47Å; Q92-V507 HydrophobicContact CG-CG2 4.38Å; Q92-A561 HydrophobicContact CG-CB 4.29Å
93	A	97.5	Very high	97.8	Very high	5 Å²	5	14.9 Å²	14.9	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-38.9	175.9	0	0	0	0	0	112.7	S91 K97 Q132 F148 Y563	S91-A93 PolarHBondContact O-N 3.45Å; S91-A93 PolarHBondContact OG-N 2.89Å; A93-K97 WeakPolarHBondContact O-CB 3.46Å; A93-K97 PolarHBondContact O-N 3.49Å; A93-Q132 HydrophobicContact CB-CB 3.76Å; A93-Q132 HydrophobicContact CB-CG 4.06Å; A93-F148 HydrophobicContact CB-CE2 3.98Å; A93-F148 HydrophobicContact CB-CZ 4.45Å; A93-Y563 HydrophobicContact CB-CD2 4.01Å; A93-Y563 HydrophobicContact CB-CE2 3.76Å
94	V	98.3	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-48.4	174.2	169.9	0	0	0	0	109.6	S91 I96 K97 V98 Y130 F148 L151 V152 I155	S91-V94 WeakPolarHBondContact O-CB 3.35Å; S91-V94 PolarHBondContact O-N 3.21Å; S91-V94 VanDerWaalsContact O-N 3.08Å; S91-V94 PolarHBondContact OG-N 2.9Å; V94-I96 PolarHBondContact O-N 2.89Å; V94-K97 PolarHBondContact O-N 3.43Å; V94-V98 HydrophobicContact CG1-CG2 4.24Å; V94-V98 WeakPolarHBondContact O-CB 3.49Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.36Å; V94-V98 PolarHBondContact O-N 3.4Å; V94-Y130 HydrophobicContact CG2-CD2 4.39Å; V94-F148 HydrophobicContact CB-CE2 4.47Å; V94-F148 HydrophobicContact CG2-CD2 3.8Å; V94-F148 HydrophobicContact CG2-CE2 3.61Å; V94-F148 HydrophobicContact CG2-CZ 4.45Å; V94-L151 HydrophobicContact CG1-CD2 4.27Å; V94-L151 HydrophobicContact CG1-CG 4.17Å; V94-L151 HydrophobicContact CG2-CD2 3.83Å; V94-L151 HydrophobicContact CG2-CG 4.41Å; V94-V152 HydrophobicContact CB-CG2 4.41Å; V94-V152 HydrophobicContact CG1-CG2 4.09Å; V94-V152 HydrophobicContact CG2-CG2 4.34Å; V94-I155 HydrophobicContact CG1-CD1 3.68Å
95	K	98.1	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-51.2	178.3	178.6	63.2	175	-137.9	0	112.1	S91 Q92 K97 V98 I99 V116 I118 E448 N506	S91-K95 PolarHBondContact O-N 2.87Å; Q92-K95 PolarHBondContact O-N 3.46Å; K95-K97 VanDerWaalsContact C-N 3.29Å; K95-K97 PolarHBondContact O-N 2.79Å; K95-V98 PolarHBondContact O-N 3.45Å; K95-I99 HydrophobicContact CD-CG1 4.44Å; K95-I99 WeakPolarHBondContact O-CG1 3.47Å; K95-I99 PolarHBondContact O-N 3.1Å; K95-V116 PolarHBondContact NZ-O 3.18Å; K95-I118 HydrophobicContact CD-CD1 3.5Å; K95-I118 HydrophobicContact CD-CG1 3.91Å; K95-E448 IonicContact NZ-OE1 3.47Å; K95-N506 PolarHBondContact NZ-OD1 3.02Å
96	I	97.5	Very high	97.2	Very high	32 Å²	32	29 Å²	29	16%	0.164	14%	0.135	C	C	.	.	H	α-helix	trans	-56.1	-45.8	177.5	-71.4	167.2	0	0	0	110.4	Q92 V94 I99 D100 A561 Y563	Q92-I96 HydrophobicContact CG-CD1 3.99Å; Q92-I96 WeakPolarHBondContact O-CB 3.4Å; Q92-I96 WeakPolarHBondContact O-CD1 3.06Å; Q92-I96 WeakPolarHBondContact O-CG1 3.32Å; Q92-I96 PolarHBondContact O-N 2.93Å; V94-I96 PolarHBondContact O-N 2.89Å; I96-I99 PolarHBondContact O-N 3.4Å; I96-D100 WeakPolarHBondContact O-CB 3.48Å; I96-D100 PolarHBondContact O-N 3.08Å; I96-A561 HydrophobicContact CD1-CB 4.19Å; I96-Y563 HydrophobicContact CB-CD2 4.35Å; I96-Y563 HydrophobicContact CD1-CD2 4.27Å; I96-Y563 HydrophobicContact CG2-CD2 4.07Å; I96-Y563 HydrophobicContact CG2-CE2 4.44Å; I96-Y563 HydrophobicContact CG2-CG 4.18Å
97	K	97.6	Very high	96.5	Very high	57 Å²	57	35.8 Å²	35.8	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-34	-177	-162.9	61	176.3	161.6	0	113.5	A93 V94 K95 D100 H101 F148 V152	A93-K97 WeakPolarHBondContact O-CB 3.46Å; A93-K97 PolarHBondContact O-N 3.49Å; V94-K97 PolarHBondContact O-N 3.43Å; K95-K97 VanDerWaalsContact C-N 3.29Å; K95-K97 PolarHBondContact O-N 2.79Å; K97-D100 HydrophobicContact CD-CB 4.43Å; K97-D100 IonicContact NZ-OD2 3.89Å; K97-D100 PolarHBondContact NZ-OD2 3.42Å; K97-D100 PolarHBondContact O-N 2.82Å; K97-H101 VanDerWaalsContact CE-NE2 3.32Å; K97-H101 WeakPolarHBondContact CE-NE2 3.45Å; K97-H101 PolarHBondContact O-CD2 3.37Å; K97-H101 PolarHBondContact O-N 2.99Å; K97-F148 HydrophobicContact CB-CE1 4.37Å; K97-F148 HydrophobicContact CB-CZ 4.05Å; K97-F148 HydrophobicContact CG-CE1 4.22Å; K97-F148 HydrophobicContact CG-CZ 4.38Å; K97-V152 HydrophobicContact CB-CG1 4.24Å; K97-V152 HydrophobicContact CB-CG2 4.13Å; K97-V152 HydrophobicContact CG-CG1 3.96Å; K97-V152 HydrophobicContact CG-CG2 4.34Å
98	V	98.4	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-48.5	171.1	167	0	0	0	0	110.4	V94 K95 D100 H101 L102 I118 V152 I155 V156 I159	V94-V98 HydrophobicContact CG1-CG2 4.24Å; V94-V98 WeakPolarHBondContact O-CB 3.49Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.36Å; V94-V98 PolarHBondContact O-N 3.4Å; K95-V98 PolarHBondContact O-N 3.45Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.44Å; V98-H101 PolarHBondContact O-N 3.21Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.42Å; V98-L102 WeakPolarHBondContact O-CG 3.12Å; V98-L102 PolarHBondContact O-N 2.91Å; V98-I118 HydrophobicContact CB-CD1 4.35Å; V98-I118 HydrophobicContact CG1-CD1 4.16Å; V98-I118 HydrophobicContact CG2-CD1 4.4Å; V98-V152 HydrophobicContact CG2-CG1 4.16Å; V98-I155 HydrophobicContact CB-CG2 4.39Å; V98-I155 HydrophobicContact CG1-CG2 3.76Å; V98-I155 HydrophobicContact CG2-CB 3.92Å; V98-I155 HydrophobicContact CG2-CD1 4.21Å; V98-I155 HydrophobicContact CG2-CG2 3.69Å; V98-V156 HydrophobicContact CB-CG2 4.4Å; V98-V156 HydrophobicContact CG1-CG2 4.16Å; V98-V156 HydrophobicContact CG2-CG2 4.31Å; V98-I159 HydrophobicContact CG1-CD1 4.19Å
99	I	97.6	Very high	94.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-40.9	178	-62.6	-55.8	0	0	0	111.4	K95 I96 L102 K103 V116	K95-I99 HydrophobicContact CD-CG1 4.44Å; K95-I99 WeakPolarHBondContact O-CG1 3.47Å; K95-I99 PolarHBondContact O-N 3.1Å; I96-I99 PolarHBondContact O-N 3.4Å; I99-L102 HydrophobicContact CD1-CD1 4.45Å; I99-L102 PolarHBondContact O-N 3.44Å; I99-K103 HydrophobicContact CG2-CD 4.1Å; I99-K103 HydrophobicContact CG2-CG 4.4Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.4Å; I99-K103 PolarHBondContact O-N 3.39Å; I99-V116 HydrophobicContact CD1-CB 3.81Å; I99-V116 HydrophobicContact CD1-CG1 4.19Å; I99-V116 HydrophobicContact CD1-CG2 3.71Å
100	D	96.2	Very high	94.7	Very high	61 Å²	61	44.6 Å²	44.6	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-46.7	174.1	-179.9	54.9	0	0	0	111.9	I96 K97 V98 K103 N104	I96-D100 WeakPolarHBondContact O-CB 3.48Å; I96-D100 PolarHBondContact O-N 3.08Å; K97-D100 HydrophobicContact CD-CB 4.43Å; K97-D100 IonicContact NZ-OD2 3.89Å; K97-D100 PolarHBondContact NZ-OD2 3.42Å; K97-D100 PolarHBondContact O-N 2.82Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.44Å; D100-K103 PolarHBondContact O-N 2.84Å; D100-N104 PolarHBondContact O-N 3.3Å; D100-N104 PolarHBondContact O-ND2 3.15Å
101	H	97.4	Very high	94.7	Very high	46 Å²	46	44.7 Å²	44.7	21%	0.213	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-42.8	177	-78.6	-156.2	0	0	0	112.6	K97 V98 N104 R105 V156	K97-H101 VanDerWaalsContact CE-NE2 3.32Å; K97-H101 WeakPolarHBondContact CE-NE2 3.45Å; K97-H101 PolarHBondContact O-CD2 3.37Å; K97-H101 PolarHBondContact O-N 2.99Å; V98-H101 PolarHBondContact O-N 3.21Å; H101-N104 PolarHBondContact O-N 3.01Å; H101-R105 PolarHBondContact O-N 3.43Å; H101-V156 HydrophobicContact CB-CG1 4.35Å; H101-V156 HydrophobicContact CB-CG2 3.67Å
102	L	97.6	Very high	94.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-40.1	178.7	-69.7	169.1	0	0	0	112	V98 I99 N104 R105 Y106 F111 V156 I159	V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.42Å; V98-L102 WeakPolarHBondContact O-CG 3.12Å; V98-L102 PolarHBondContact O-N 2.91Å; I99-L102 HydrophobicContact CD1-CD1 4.45Å; I99-L102 PolarHBondContact O-N 3.44Å; L102-N104 PolarHBondContact O-N 3.04Å; L102-R105 PolarHBondContact O-N 3.11Å; L102-Y106 HydrophobicContact CD2-CD2 4.19Å; L102-Y106 HydrophobicContact CD2-CE2 3.91Å; L102-Y106 WeakPolarHBondContact O-CD2 3.46Å; L102-Y106 PolarHBondContact O-N 3.01Å; L102-F111 HydrophobicContact CB-CB 3.94Å; L102-F111 HydrophobicContact CB-CD2 4.14Å; L102-F111 HydrophobicContact CB-CG 4.42Å; L102-F111 HydrophobicContact CD1-CB 3.89Å; L102-F111 HydrophobicContact CD1-CD2 4.42Å; L102-F111 HydrophobicContact CD1-CG 4.2Å; L102-F111 HydrophobicContact CD2-CD2 4.09Å; L102-F111 HydrophobicContact CG-CB 4.47Å; L102-F111 HydrophobicContact CG-CD2 4.45Å; L102-V156 HydrophobicContact CD2-CG1 4.02Å; L102-I159 HydrophobicContact CD1-CD1 3.75Å; L102-I159 HydrophobicContact CD1-CG2 4.43Å; L102-I159 HydrophobicContact CD2-CB 4.32Å; L102-I159 HydrophobicContact CD2-CG2 3.84Å
103	K	95.2	Very high	94.6	Very high	89 Å²	89	47.3 Å²	47.3	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-28.3	174.8	-77	173.6	176.3	176.4	0	113.6	I99 D100	I99-K103 HydrophobicContact CG2-CD 4.1Å; I99-K103 HydrophobicContact CG2-CG 4.4Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.4Å; I99-K103 PolarHBondContact O-N 3.39Å; D100-K103 PolarHBondContact O-N 2.84Å
104	N	93.8	Very high	94.5	Very high	125 Å²	125	51.1 Å²	51.1	67%	0.668	26%	0.255	S	S	*	.	H	α-helix	trans	-81.6	-19.4	176	-68.4	-40.7	0	0	0	112.9	D100 H101 L102	D100-N104 PolarHBondContact O-N 3.3Å; D100-N104 PolarHBondContact O-ND2 3.15Å; H101-N104 PolarHBondContact O-N 3.01Å; L102-N104 PolarHBondContact O-N 3.04Å
105	R	94.6	Very high	94.5	Very high	123 Å²	123	51.1 Å²	51.1	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-96.4	-31.2	-179.1	-70.4	-174.4	-175.4	-173.6	4.1	113.5	H101 L102 V156 N157 D160	H101-R105 PolarHBondContact O-N 3.43Å; L102-R105 PolarHBondContact O-N 3.11Å; R105-V156 VanDerWaalsContact NH1-CG1 3.31Å; R105-N157 PolarHBondContact NH1-OD1 2.99Å; R105-D160 IonicContact CZ-OD2 3.9Å; R105-D160 IonicContact NH1-OD2 3.27Å; R105-D160 PolarHBondContact NH1-OD2 3.48Å
106	Y	94.8	Very high	94.6	Very high	49 Å²	49	51.1 Å²	51.1	19%	0.192	26%	0.255	C	S	.	.	S	Bend	trans	-123.5	166.1	-174	-60.9	-82.9	0	0	0	111.9	L102 N108 L110 F111 D160 Y163	L102-Y106 HydrophobicContact CD2-CD2 4.19Å; L102-Y106 HydrophobicContact CD2-CE2 3.91Å; L102-Y106 WeakPolarHBondContact O-CD2 3.46Å; L102-Y106 PolarHBondContact O-N 3.01Å; Y106-N108 PolarHBondContact O-N 3.07Å; Y106-L110 HydrophobicContact CD1-CD2 4.02Å; Y106-L110 HydrophobicContact CG-CD2 4.18Å; Y106-F111 HydrophobicContact CD1-CE2 4.09Å; Y106-F111 AromaticContact CD2-CD2 3.59Å; Y106-F111 HydrophobicContact CD2-CD2 3.59Å; Y106-F111 AromaticContact CD2-CE2 3.5Å; Y106-F111 HydrophobicContact CD2-CE2 3.5Å; Y106-F111 VanDerWaalsContact CD2-CE2 3.5Å; Y106-F111 HydrophobicContact CE1-CE2 4.25Å; Y106-F111 HydrophobicContact CE2-CD2 4.12Å; Y106-F111 AromaticContact CE2-CE2 3.69Å; Y106-F111 HydrophobicContact CE2-CE2 3.69Å; Y106-F111 AromaticContact CG-CD2 3.94Å; Y106-F111 HydrophobicContact CG-CD2 3.94Å; Y106-F111 AromaticContact CG-CE2 3.71Å; Y106-F111 HydrophobicContact CG-CE2 3.71Å; Y106-D160 WeakPolarHBondContact CE2-OD1 3.24Å; Y106-D160 VanDerWaalsContact CZ-OD1 3.3Å; Y106-D160 VanDerWaalsContact OH-CG 3.27Å; Y106-D160 PolarHBondContact OH-OD1 2.81Å; Y106-Y163 HydrophobicContact CD1-CD1 4.38Å; Y106-Y163 HydrophobicContact CD1-CE1 4.17Å; Y106-Y163 AromaticContact CE1-CD1 3.52Å; Y106-Y163 HydrophobicContact CE1-CD1 3.52Å; Y106-Y163 AromaticContact CE1-CE1 3.71Å; Y106-Y163 HydrophobicContact CE1-CE1 3.71Å; Y106-Y163 HydrophobicContact CE1-CG 4.22Å
107	D	84.8	Confident	94.6	Very high	144 Å²	144	49.6 Å²	49.6	77%	0.77	25%	0.247	S	C	*	.			trans	-52.7	139	175.9	-72.5	-28	0	0	0	111.7	G109 L110	D107-G109 PolarHBondContact O-N 3.44Å; D107-L110 PolarHBondContact O-N 2.97Å
108	N	77	Confident	94.7	Very high	148 Å²	148	46.9 Å²	46.9	79%	0.791	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	113.8	-173.9	-169.3	18.7	0	0	0	110.4	Y106	Y106-N108 PolarHBondContact O-N 3.07Å
109	G	86	Confident	94.7	Very high	25 Å²	25	46.9 Å²	46.9	26%	0.258	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-3.2	-180	0	0	0	0	0	115.3	Q78 D107	Q78-G109 PolarHBondContact NE2-O 2.91Å; Q78-G109 PolarHBondContact OE1-O 3.28Å; Q78-G109 VanDerWaalsContact OE1-O 3.1Å; D107-G109 PolarHBondContact O-N 3.44Å
110	L	95	Very high	94.8	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.136	24%	0.235	C	C	.	.	S	Bend	trans	-66.8	-42.2	173.4	-175.8	65.2	0	0	0	112.1	Q78 P79 Y106 D107 N115 Y163	Q78-L110 PolarHBondContact OE1-O 2.88Å; Q78-L110 VanDerWaalsContact OE1-O 3.12Å; P79-L110 HydrophobicContact CG-CD1 3.99Å; P79-L110 HydrophobicContact CG-CG 4.47Å; Y106-L110 HydrophobicContact CD1-CD2 4.02Å; Y106-L110 HydrophobicContact CG-CD2 4.18Å; D107-L110 PolarHBondContact O-N 2.97Å; L110-N115 PolarHBondContact O-ND2 2.91Å; L110-Y163 HydrophobicContact CD2-CE2 3.96Å
111	F	96.7	Very high	94.9	Very high	3 Å²	3	44 Å²	44	1%	0.013	22%	0.219	C	C	.	.	S	Bend	trans	-122.1	122.8	176.1	-59.6	-59	0	0	0	110.1	I70 P79 V81 L102 Y106 V116 I159 Y163	I70-F111 HydrophobicContact CD1-CE1 4.2Å; I70-F111 HydrophobicContact CD1-CZ 4.1Å; P79-F111 HydrophobicContact CG-CD1 4.4Å; P79-F111 HydrophobicContact CG-CE1 3.92Å; V81-F111 HydrophobicContact CG2-CD1 3.59Å; V81-F111 HydrophobicContact CG2-CE1 3.44Å; V81-F111 VanDerWaalsContact CG2-CE1 3.44Å; L102-F111 HydrophobicContact CB-CB 3.94Å; L102-F111 HydrophobicContact CB-CD2 4.14Å; L102-F111 HydrophobicContact CB-CG 4.42Å; L102-F111 HydrophobicContact CD1-CB 3.89Å; L102-F111 HydrophobicContact CD1-CD2 4.42Å; L102-F111 HydrophobicContact CD1-CG 4.2Å; L102-F111 HydrophobicContact CD2-CD2 4.09Å; L102-F111 HydrophobicContact CG-CB 4.47Å; L102-F111 HydrophobicContact CG-CD2 4.45Å; Y106-F111 HydrophobicContact CD1-CE2 4.09Å; Y106-F111 AromaticContact CD2-CD2 3.59Å; Y106-F111 HydrophobicContact CD2-CD2 3.59Å; Y106-F111 AromaticContact CD2-CE2 3.5Å; Y106-F111 HydrophobicContact CD2-CE2 3.5Å; Y106-F111 VanDerWaalsContact CD2-CE2 3.5Å; Y106-F111 HydrophobicContact CE1-CE2 4.25Å; Y106-F111 HydrophobicContact CE2-CD2 4.12Å; Y106-F111 AromaticContact CE2-CE2 3.69Å; Y106-F111 HydrophobicContact CE2-CE2 3.69Å; Y106-F111 AromaticContact CG-CD2 3.94Å; Y106-F111 HydrophobicContact CG-CD2 3.94Å; Y106-F111 AromaticContact CG-CE2 3.71Å; Y106-F111 HydrophobicContact CG-CE2 3.71Å; F111-V116 HydrophobicContact CB-CG2 4.03Å; F111-V116 HydrophobicContact CD1-CG2 4.25Å; F111-I159 HydrophobicContact CE1-CG2 4.47Å; F111-I159 HydrophobicContact CE2-CG2 4.43Å; F111-I159 HydrophobicContact CZ-CG2 4.23Å; F111-Y163 AromaticContact CZ-CD2 3.77Å; F111-Y163 HydrophobicContact CZ-CD2 3.77Å; F111-Y163 HydrophobicContact CZ-CE2 4.23Å; F111-Y163 HydrophobicContact CZ-CG 4.29Å
112	T	96.2	Very high	95	Very high	26 Å²	26	41.9 Å²	41.9	16%	0.16	21%	0.21	C	C	.	.			trans	-139.5	171.2	-174	73.9	0	0	0	0	110.3	Q114 N115 V116	T112-Q114 PolarHBondContact O-N 3.08Å; T112-Q114 PolarHBondContact OG1-N 3.41Å; T112-Q114 VanDerWaalsContact OG1-N 3.08Å; T112-N115 WeakPolarHBondContact CA-OD1 3.46Å; T112-N115 PolarHBondContact N-OD1 3.36Å; T112-N115 PolarHBondContact O-N 3.15Å; T112-N115 PolarHBondContact O-OD1 3.23Å; T112-N115 PolarHBondContact OG1-OD1 3.46Å; T112-V116 WeakPolarHBondContact O-CB 3.36Å; T112-V116 WeakPolarHBondContact O-CG2 3.29Å; T112-V116 PolarHBondContact O-N 2.04Å; T112-V116 VanDerWaalsContact O-N 3.12Å
113	H	96.1	Very high	95	Very high	33 Å²	33	41.8 Å²	41.8	15%	0.153	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.9	169.6	-72.4	-88.6	0	0	0	112.7	H354 F356 E448 Q450	H113-H354 PolarHBondContact O-CD2 2.92Å; H113-F356 HydrophobicContact CB-CZ 4.39Å; H113-F356 AromaticContact ND1-CZ 3.72Å; H113-E448 IonicContact ND1-OE1 2.77Å; H113-E448 IonicContact ND1-OE2 3.96Å; H113-E448 PolarHBondContact ND1-OE2 2.96Å; H113-Q450 PolarHBondContact O-NE2 3.29Å; H113-Q450 VanDerWaalsContact O-NE2 3.13Å
114	Q	96.7	Very high	95.2	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.393	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-35.9	-174.8	-52.4	-178.5	24	0	0	112.7	T112 F352 H354 Q450	T112-Q114 PolarHBondContact O-N 3.08Å; T112-Q114 PolarHBondContact OG1-N 3.41Å; T112-Q114 VanDerWaalsContact OG1-N 3.08Å; Q114-F352 HydrophobicContact CB-CD2 3.48Å; Q114-F352 VanDerWaalsContact CB-CD2 3.48Å; Q114-F352 HydrophobicContact CB-CE2 3.54Å; Q114-F352 WeakPolarHBondContact O-CB 3.24Å; Q114-F352 WeakPolarHBondContact O-CD2 3.47Å; Q114-H354 HydrophobicContact CB-CB 3.98Å; Q114-H354 HydrophobicContact CG-CB 4.06Å; Q114-Q450 VanDerWaalsContact C-NE2 3.3Å; Q114-Q450 PolarHBondContact O-NE2 2.92Å
115	N	97.7	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-9	-170.8	70.9	-39	0	0	0	114.6	Q78 P79 I80 V81 L110 T112 F352	Q78-N115 PolarHBondContact OE1-ND2 3.27Å; P79-N115 VanDerWaalsContact O-CB 3.29Å; P79-N115 WeakPolarHBondContact O-CB 3.17Å; P79-N115 PolarHBondContact O-ND2 3.49Å; I80-N115 CarbonylContact C-O 3.42Å; I80-N115 WeakPolarHBondContact CA-O 3.26Å; V81-N115 PolarHBondContact N-O 3.46Å; L110-N115 PolarHBondContact O-ND2 2.91Å; T112-N115 WeakPolarHBondContact CA-OD1 3.46Å; T112-N115 PolarHBondContact N-OD1 3.36Å; T112-N115 PolarHBondContact O-N 3.15Å; T112-N115 PolarHBondContact O-OD1 3.23Å; T112-N115 PolarHBondContact OG1-OD1 3.46Å; N115-F352 HydrophobicContact CB-CD1 3.46Å; N115-F352 VanDerWaalsContact CB-CD1 3.46Å; N115-F352 HydrophobicContact CB-CD2 4.11Å; N115-F352 HydrophobicContact CB-CE1 3.51Å; N115-F352 HydrophobicContact CB-CE2 4.14Å; N115-F352 HydrophobicContact CB-CG 3.76Å; N115-F352 HydrophobicContact CB-CZ 3.85Å
116	V	98.7	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.9	169.1	-178.1	0	0	0	0	107.9	V81 K95 I99 F111 T112 I118 Q450	V81-V116 HydrophobicContact CB-CB 4.41Å; V81-V116 HydrophobicContact CB-CG1 4.3Å; V81-V116 HydrophobicContact CB-CG2 4.16Å; V81-V116 HydrophobicContact CG1-CG1 4.49Å; V81-V116 HydrophobicContact CG2-CG2 4.15Å; V81-V116 CarbonylContact O-C 3.55Å; K95-V116 PolarHBondContact NZ-O 3.18Å; I99-V116 HydrophobicContact CD1-CB 3.81Å; I99-V116 HydrophobicContact CD1-CG1 4.19Å; I99-V116 HydrophobicContact CD1-CG2 3.71Å; F111-V116 HydrophobicContact CB-CG2 4.03Å; F111-V116 HydrophobicContact CD1-CG2 4.25Å; T112-V116 WeakPolarHBondContact O-CB 3.36Å; T112-V116 WeakPolarHBondContact O-CG2 3.29Å; T112-V116 PolarHBondContact O-N 2.04Å; T112-V116 VanDerWaalsContact O-N 3.12Å; V116-I118 HydrophobicContact CG1-CG1 4.07Å; V116-Q450 PolarHBondContact O-NE2 3.16Å; V116-Q450 PolarHBondContact O-OE1 2.84Å
117	L	98.8	Very high	95.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.2	171.4	-175.2	168.2	0	0	0	107	V81 I82 V83 V452 I459 A461	V81-L117 PolarHBondContact O-N 3.13Å; I82-L117 HydrophobicContact CG2-CD2 4.41Å; V83-L117 PolarHBondContact N-O 3.02Å; L117-V452 HydrophobicContact CD1-CG2 4.07Å; L117-I459 HydrophobicContact CD1-CG2 4.1Å; L117-A461 HydrophobicContact CD1-CB 3.8Å; L117-A461 HydrophobicContact CG-CB 3.95Å
118	I	98.9	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.4	173.1	-52.8	178.4	0	0	0	107.2	V83 I85 V90 K95 V98 V116 I155 S505 N506	V83-I118 HydrophobicContact CB-CB 4.49Å; V83-I118 HydrophobicContact CB-CG1 4.22Å; V83-I118 HydrophobicContact CB-CG2 4.3Å; V83-I118 HydrophobicContact CG1-CG2 4.48Å; V83-I118 HydrophobicContact CG2-CG1 4.42Å; V83-I118 CarbonylContact O-C 3.31Å; V83-I118 WeakPolarHBondContact O-CA 3.49Å; I85-I118 HydrophobicContact CD1-CG2 4.32Å; I85-I118 HydrophobicContact CG1-CG2 4.47Å; I85-I118 HydrophobicContact CG2-CG2 4.27Å; V90-I118 HydrophobicContact CG1-CB 4.14Å; V90-I118 HydrophobicContact CG1-CG2 4Å; V90-I118 HydrophobicContact CG2-CB 4.43Å; V90-I118 HydrophobicContact CG2-CG2 3.85Å; K95-I118 HydrophobicContact CD-CD1 3.5Å; K95-I118 HydrophobicContact CD-CG1 3.91Å; V98-I118 HydrophobicContact CB-CD1 4.35Å; V98-I118 HydrophobicContact CG1-CD1 4.16Å; V98-I118 HydrophobicContact CG2-CD1 4.4Å; V116-I118 HydrophobicContact CG1-CG1 4.07Å; I118-I155 HydrophobicContact CD1-CG2 4.1Å; I118-S505 CarbonylContact O-C 3.08Å; I118-S505 WeakPolarHBondContact O-CA 3.22Å; I118-N506 PolarHBondContact N-OD1 2.83Å; I118-N506 VanDerWaalsContact N-OD1 3.07Å; I118-N506 PolarHBondContact O-N 2.54Å; I118-N506 PolarHBondContact O-OD1 2.91Å
119	S	98.9	Very high	97.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153	179	170.9	0	0	0	0	109.6	V83 I84 I85 S502 G503	V83-S119 PolarHBondContact O-N 3.05Å; I84-S119 CarbonylContact C-O 3.54Å; I84-S119 WeakPolarHBondContact CA-O 3.37Å; I85-S119 WeakPolarHBondContact CG1-O 3.03Å; I85-S119 PolarHBondContact N-O 3.27Å; S119-S502 WeakPolarHBondContact CB-OG 3.43Å; S119-S502 PolarHBondContact OG-OG 3.46Å; S119-G503 PolarHBondContact OG-O 2.81Å
120	A	98.9	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.5	-178.3	0	0	0	0	0	112.1	I85 V90 H122 L504	I85-A120 HydrophobicContact CD1-CB 4.37Å; I85-A120 HydrophobicContact CG1-CB 3.86Å; I85-A120 CarbonylContact O-C 3.5Å; I85-A120 WeakPolarHBondContact O-CA 3.38Å; V90-A120 HydrophobicContact CG2-CB 3.94Å; A120-H122 PolarHBondContact O-N 3.25Å; A120-L504 HydrophobicContact CB-CB 4.03Å; A120-L504 HydrophobicContact CB-CD2 4.13Å
121	T	98.9	Very high	97.9	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.045	C	C	.	.			trans	-75	-10.3	175	62.5	0	0	0	0	113.6	I84 I85 D86 A232 K247 F273 Q275	I84-T121 HydrophobicContact CG2-CG2 3.81Å; I85-T121 PolarHBondContact O-N 2.95Å; D86-T121 WeakPolarHBondContact CA-OG1 3.46Å; D86-T121 VanDerWaalsContact OD1-CG2 3.3Å; D86-T121 WeakPolarHBondContact OD1-CG2 3.29Å; D86-T121 PolarHBondContact OD1-OG1 2.94Å; T121-A232 WeakPolarHBondContact O-CB 3.42Å; T121-K247 HydrophobicContact CG2-CB 4.38Å; T121-F273 WeakPolarHBondContact CG2-O 3.23Å; T121-Q275 WeakPolarHBondContact O-CG 3.41Å; T121-Q275 PolarHBondContact O-NE2 2.77Å
122	H	98.8	Very high	97.9	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	5%	0.045	C	C	.	.			trans	67.6	27.6	-177.3	-156.2	29.9	0	0	0	114.8	A87 G88 A120 H124 H231 Q275 E278 E465 L504	A87-H122 WeakPolarHBondContact O-CA 3.5Å; A87-H122 PolarHBondContact O-N 2.92Å; G88-H122 WeakPolarHBondContact O-CA 3.47Å; G88-H122 PolarHBondContact O-ND1 3.27Å; A120-H122 PolarHBondContact O-N 3.25Å; H122-H124 AromaticContact CD2-CE1 3.93Å; H122-H124 AromaticContact CE1-CE1 3.39Å; H122-H124 PolarHBondContact CE1-CE1 3.22Å; H122-H124 AromaticContact CG-CE1 3.94Å; H122-H124 AromaticContact ND1-CE1 3.58Å; H122-H124 AromaticContact NE2-CE1 3.53Å; H122-H124 PolarHBondContact O-N 3.29Å; H122-H124 PolarHBondContact O-ND1 3.44Å; H122-H231 AromaticContact CD2-CD2 3.23Å; H122-H231 PolarHBondContact CD2-CD2 2.61Å; H122-H231 AromaticContact CD2-CE1 3.98Å; H122-H231 AromaticContact CD2-NE2 3.17Å; H122-H231 PolarHBondContact CD2-NE2 3.16Å; H122-H231 AromaticContact NE2-CD2 3.36Å; H122-H231 PolarHBondContact NE2-CD2 2.76Å; H122-H231 AromaticContact NE2-NE2 2.99Å; H122-H231 PolarHBondContact NE2-NE2 2.94Å; H122-Q275 HydrophobicContact CB-CG 4.16Å; H122-E278 IonicContact CD2-OE1 3.71Å; H122-E465 IonicContact CD2-OE1 3.66Å; H122-E465 IonicContact CE1-OE1 3.27Å; H122-E465 PolarHBondContact CE1-OE1 2.96Å; H122-E465 IonicContact CG-OE1 2.68Å; H122-E465 IonicContact ND1-OE1 3.75Å; H122-E465 IonicContact NE2-OE1 3.68Å; H122-E465 PolarHBondContact NE2-OE1 3.11Å; H122-L504 HydrophobicContact CB-CD1 4.01Å; H122-L504 HydrophobicContact CB-CD2 3.54Å; H122-L504 HydrophobicContact CB-CG 4.45Å; H122-L504 VanDerWaalsContact ND1-CD2 3.34Å; H122-L504 WeakPolarHBondContact ND1-CD2 3.2Å
123	T	98.9	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.			trans	-61	128.4	174.5	173.8	0	0	0	0	110.7	A87 G88 S125 A232 S243	A87-T123 PolarHBondContact O-N 3.49Å; G88-T123 WeakPolarHBondContact CA-O 3.32Å; G88-T123 PolarHBondContact N-O 3.35Å; T123-S125 PolarHBondContact O-N 3.02Å; T123-S125 PolarHBondContact OG1-N 2.92Å; T123-S125 VanDerWaalsContact OG1-N 3.12Å; T123-A232 WeakPolarHBondContact CA-O 3.47Å; T123-S243 PolarHBondContact OG1-O 2.93Å
124	H	98.7	Very high	97.8	Very high	12 Å²	12	6.5 Å²	6.5	6%	0.056	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.2	174.9	-73.2	37.4	0	0	0	113.2	M48 G49 Y50 H122 A232 V233	M48-H124 CarbonylContact O-C 3.18Å; M48-H124 VanDerWaalsContact O-CA 3.28Å; M48-H124 WeakPolarHBondContact O-CA 3.23Å; G49-H124 VanDerWaalsContact C-CD2 3.41Å; G49-H124 VanDerWaalsContact CA-CD2 3.41Å; G49-H124 WeakPolarHBondContact CA-CD2 3.5Å; Y50-H124 AromaticContact CD1-CD2 3.96Å; Y50-H124 HydrophobicContact CD2-CB 3.75Å; Y50-H124 AromaticContact CE1-CD2 3.95Å; Y50-H124 HydrophobicContact CE2-CB 3.39Å; Y50-H124 HydrophobicContact CG-CB 4.47Å; H122-H124 AromaticContact CD2-CE1 3.93Å; H122-H124 AromaticContact CE1-CE1 3.39Å; H122-H124 PolarHBondContact CE1-CE1 3.22Å; H122-H124 AromaticContact CG-CE1 3.94Å; H122-H124 AromaticContact ND1-CE1 3.58Å; H122-H124 AromaticContact NE2-CE1 3.53Å; H122-H124 PolarHBondContact O-N 3.29Å; H122-H124 PolarHBondContact O-ND1 3.44Å; H124-A232 PolarHBondContact N-O 3.38Å; H124-A232 VanDerWaalsContact N-O 3.14Å; H124-V233 HydrophobicContact CB-CG1 4.07Å; H124-V233 VanDerWaalsContact CG-CG1 3.47Å
125	S	98.7	Very high	97.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	24.9	-178.2	-66.8	0	0	0	0	113.6	M47 T123 M235 N239 V242 S243	M47-S125 WeakPolarHBondContact CE-O 3.29Å; T123-S125 PolarHBondContact O-N 3.02Å; T123-S125 PolarHBondContact OG1-N 2.92Å; T123-S125 VanDerWaalsContact OG1-N 3.12Å; S125-M235 WeakPolarHBondContact OG-CB 3.38Å; S125-N239 PolarHBondContact OG-ND2 3.4Å; S125-V242 CarbonylContact O-C 3.55Å; S125-V242 VanDerWaalsContact O-CA 3.23Å; S125-V242 WeakPolarHBondContact O-CA 3.26Å; S125-S243 CarbonylContact C-O 3.55Å; S125-S243 WeakPolarHBondContact CB-O 2.89Å; S125-S243 PolarHBondContact O-N 3.31Å
126	G	98.4	Very high	97.5	Very high	3 Å²	3	4.6 Å²	4.6	3%	0.031	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	155	170.6	0	0	0	0	0	112.8	M47 M48	M47-G126 CarbonylContact C-O 3.55Å; M47-G126 WeakPolarHBondContact CA-O 3.48Å; M48-G126 PolarHBondContact N-O 3.32Å
127	P	98	Very high	97.2	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.032	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.9	176.6	27.7	-34.8	0	0	0	111.7	P41 I45 Y130 T147	P41-P127 HydrophobicContact CG-CB 4.02Å; P41-P127 HydrophobicContact CG-CG 4.49Å; P41-P127 WeakPolarHBondContact O-CG 3.07Å; I45-P127 HydrophobicContact CG2-CB 4.05Å; P127-Y130 WeakPolarHBondContact O-CE1 3.36Å; P127-T147 HydrophobicContact CB-CG2 4.2Å; P127-T147 HydrophobicContact CG-CG2 3.94Å
128	A	97.8	Very high	96.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.			trans	-87.3	-169.7	178.6	0	0	0	0	0	113.2	N46 M48 S140 T147	N46-A128 WeakPolarHBondContact O-CB 3.41Å; N46-A128 PolarHBondContact O-N 3.48Å; M48-A128 HydrophobicContact CB-CB 3.82Å; M48-A128 HydrophobicContact CG-CB 4.47Å; M48-A128 HydrophobicContact SD-CB 4.03Å; A128-S140 VanDerWaalsContact CB-CB 3.48Å; A128-T147 WeakPolarHBondContact O-CB 3.47Å; A128-T147 WeakPolarHBondContact O-CG2 3.4Å; A128-T147 PolarHBondContact O-OG1 3.29Å
129	G	96.5	Very high	96.1	Very high	3 Å²	3	10.3 Å²	10.3	3%	0.031	5%	0.05	C	C	.	.			trans	89.1	21.1	173.4	0	0	0	0	0	115.9	G142 Y143 V144	G129-G142 WeakPolarHBondContact CA-O 3.39Å; G129-Y143 WeakPolarHBondContact O-CA 3.24Å; G129-Y143 WeakPolarHBondContact O-CD2 3.36Å; G129-V144 PolarHBondContact O-N 3.13Å
130	Y	97.7	Very high	95.6	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.024	5%	0.051	C	C	.	.			trans	-115.9	-3.1	178.4	62.4	-94	0	0	0	114.2	M48 G88 M89 S91 V94 P127 T147 L151	M48-Y130 HydrophobicContact CB-CE1 4.28Å; M48-Y130 HydrophobicContact CG-CE1 4.24Å; G88-Y130 PolarHBondContact N-OH 3.44Å; M89-Y130 PolarHBondContact N-OH 3.3Å; M89-Y130 VanDerWaalsContact O-CE2 3.28Å; M89-Y130 WeakPolarHBondContact O-CE2 3.4Å; M89-Y130 PolarHBondContact O-OH 3.05Å; S91-Y130 VanDerWaalsContact CB-O 3.25Å; S91-Y130 WeakPolarHBondContact CB-O 3.41Å; S91-Y130 PolarHBondContact OG-O 3.19Å; V94-Y130 HydrophobicContact CG2-CD2 4.39Å; P127-Y130 WeakPolarHBondContact O-CE1 3.36Å; Y130-T147 HydrophobicContact CD1-CG2 3.74Å; Y130-T147 HydrophobicContact CG-CG2 4.44Å; Y130-L151 HydrophobicContact CD1-CD2 4.48Å; Y130-L151 HydrophobicContact CD2-CD2 3.9Å; Y130-L151 HydrophobicContact CE2-CD2 4.41Å; Y130-L151 HydrophobicContact CG-CD2 3.95Å
131	L	96.6	Very high	95.3	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.037	7%	0.069	C	C	.	.			trans	-87.8	138.5	174.1	-68.8	164.3	0	0	0	109.7	M48 M89 Y136	M48-L131 HydrophobicContact SD-CD1 3.8Å; M89-L131 HydrophobicContact CG-CD1 3.93Å; M89-L131 HydrophobicContact CG-CD2 4.09Å; M89-L131 HydrophobicContact SD-CD1 4.07Å; L131-Y136 HydrophobicContact CB-CD2 4.22Å; L131-Y136 HydrophobicContact CB-CG 4.36Å; L131-Y136 HydrophobicContact CD1-CD1 4.46Å; L131-Y136 HydrophobicContact CD1-CD2 4.14Å; L131-Y136 HydrophobicContact CD1-CG 3.8Å
132	Q	95.4	Very high	95	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.014	7%	0.069	C	C	.	.			trans	-89.2	-10.7	-173	69.3	171.6	-10.2	0	0	115.4	A93 Y440 P562 F564 Q568	A93-Q132 HydrophobicContact CB-CB 3.76Å; A93-Q132 HydrophobicContact CB-CG 4.06Å; Q132-Y440 WeakPolarHBondContact O-CE2 3.38Å; Q132-P562 PolarHBondContact NE2-O 3.11Å; Q132-F564 HydrophobicContact CG-CD2 4.18Å; Q132-Q568 PolarHBondContact O-NE2 3.11Å
133	Y	96.2	Very high	94.9	Very high	8 Å²	8	14.9 Å²	14.9	3%	0.031	7%	0.073	C	C	.	.	S	Bend	trans	-96.7	139.8	-174.6	-67.6	-79	0	0	0	111	Q92 L135 Y136 S137 P441 W442 Q443 P444 F564	Q92-Y133 PolarHBondContact OE1-OH 2.96Å; Y133-L135 VanDerWaalsContact C-N 3.3Å; Y133-L135 PolarHBondContact O-N 3.31Å; Y133-Y136 PolarHBondContact O-N 3.41Å; Y133-Y136 VanDerWaalsContact O-N 3.12Å; Y133-S137 PolarHBondContact O-OG 3.05Å; Y133-P441 HydrophobicContact CD1-CB 4.26Å; Y133-P441 WeakPolarHBondContact CD1-O 3.48Å; Y133-P441 HydrophobicContact CE1-CB 4.3Å; Y133-W442 WeakPolarHBondContact CB-O 3.47Å; Y133-Q443 VanDerWaalsContact CD1-C 3.48Å; Y133-P444 HydrophobicContact CD2-CB 4.42Å; Y133-P444 HydrophobicContact CE1-CB 4.18Å; Y133-P444 HydrophobicContact CE2-CB 3.69Å; Y133-P444 HydrophobicContact CE2-CG 4.18Å; Y133-P444 VanDerWaalsContact CZ-CA 3.43Å; Y133-F564 HydrophobicContact CD1-CE2 4.2Å; Y133-F564 HydrophobicContact CE1-CD2 4.45Å; Y133-F564 AromaticContact CE1-CE2 3.7Å; Y133-F564 HydrophobicContact CE1-CE2 3.7Å
134	V	95.2	Very high	94.7	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-57	-39.5	-166.3	-176.7	0	0	0	0	112.9	Y136 S137 F138 P439 Y440 P441 W442 F569	V134-Y136 PolarHBondContact O-N 3.41Å; V134-S137 WeakPolarHBondContact O-CB 3.11Å; V134-S137 PolarHBondContact O-N 3.44Å; V134-F138 HydrophobicContact CG1-CE2 3.97Å; V134-F138 HydrophobicContact CG1-CZ 3.95Å; V134-P439 HydrophobicContact CG2-CG 4.14Å; V134-Y440 HydrophobicContact CB-CE2 4.2Å; V134-Y440 HydrophobicContact CG2-CD1 4.41Å; V134-Y440 HydrophobicContact CG2-CD2 3.41Å; V134-Y440 VanDerWaalsContact CG2-CD2 3.41Å; V134-Y440 HydrophobicContact CG2-CE1 4.29Å; V134-Y440 HydrophobicContact CG2-CE2 3.23Å; V134-Y440 HydrophobicContact CG2-CG 4.01Å; V134-Y440 VanDerWaalsContact CG2-O 3.29Å; V134-Y440 WeakPolarHBondContact CG2-O 3.36Å; V134-P441 PolarHBondContact N-O 2.82Å; V134-W442 HydrophobicContact CB-CB 4.38Å; V134-W442 HydrophobicContact CB-CD2 4.15Å; V134-W442 HydrophobicContact CB-CG 3.8Å; V134-W442 HydrophobicContact CG1-CD2 4.14Å; V134-W442 HydrophobicContact CG1-CG 4.29Å; V134-W442 HydrophobicContact CG1-CZ2 4.23Å; V134-W442 HydrophobicContact CG2-CG 4.35Å; V134-F569 HydrophobicContact CG1-CE1 4.38Å; V134-F569 HydrophobicContact CG1-CZ 4.44Å
135	L	94	Very high	94.5	Very high	22 Å²	22	16.4 Å²	16.4	12%	0.115	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-55.7	-40	-177.1	-178.1	69.2	0	0	0	111.7	Y133 S137 F138 M378 T433 W442 Q443	Y133-L135 VanDerWaalsContact C-N 3.3Å; Y133-L135 PolarHBondContact O-N 3.31Å; L135-S137 VanDerWaalsContact C-N 3.26Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-F138 HydrophobicContact CD1-CD2 4.49Å; L135-F138 WeakPolarHBondContact O-CD2 3.32Å; L135-M378 HydrophobicContact CD2-CG 4.09Å; L135-M378 HydrophobicContact CD2-SD 4.43Å; L135-T433 HydrophobicContact CD1-CG2 4.47Å; L135-T433 HydrophobicContact CD2-CG2 4.29Å; L135-W442 WeakPolarHBondContact CB-O 2.93Å; L135-W442 PolarHBondContact N-O 2.82Å; L135-W442 VanDerWaalsContact N-O 3.11Å; L135-Q443 HydrophobicContact CB-CG 4.09Å; L135-Q443 VanDerWaalsContact CD2-CD 3.43Å; L135-Q443 HydrophobicContact CD2-CG 3.67Å
136	Y	93.7	Very high	94.3	Very high	21 Å²	21	19.3 Å²	19.3	8%	0.082	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.1	-176.6	-48.7	-56.4	0	0	0	113	L131 Y133 V134 Q443 Y508 S510	L131-Y136 HydrophobicContact CB-CD2 4.22Å; L131-Y136 HydrophobicContact CB-CG 4.36Å; L131-Y136 HydrophobicContact CD1-CD1 4.46Å; L131-Y136 HydrophobicContact CD1-CD2 4.14Å; L131-Y136 HydrophobicContact CD1-CG 3.8Å; Y133-Y136 PolarHBondContact O-N 3.41Å; Y133-Y136 VanDerWaalsContact O-N 3.12Å; V134-Y136 PolarHBondContact O-N 3.41Å; Y136-Q443 PolarHBondContact OH-NE2 3.19Å; Y136-Y508 HydrophobicContact CD1-CD1 4.48Å; Y136-Y508 HydrophobicContact CD1-CE1 4.46Å; Y136-Y508 AromaticContact CE1-CD1 3.82Å; Y136-Y508 HydrophobicContact CE1-CD1 3.82Å; Y136-Y508 AromaticContact CE1-CE1 3.7Å; Y136-Y508 HydrophobicContact CE1-CE1 3.7Å; Y136-Y508 HydrophobicContact CE2-CD1 4.16Å; Y136-Y508 AromaticContact CZ-CD1 3.63Å; Y136-Y508 AromaticContact CZ-CE1 3.91Å; Y136-S510 PolarHBondContact OH-OG 3.36Å; Y136-S510 VanDerWaalsContact OH-OG 3.06Å
137	S	92.1	Very high	94.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-92.6	-11.3	178.1	-58.4	0	0	0	0	113.4	Y133 V134 L135 S140 L141 G142	Y133-S137 PolarHBondContact O-OG 3.05Å; V134-S137 WeakPolarHBondContact O-CB 3.11Å; V134-S137 PolarHBondContact O-N 3.44Å; L135-S137 VanDerWaalsContact C-N 3.26Å; L135-S137 PolarHBondContact O-N 3.03Å; S137-S140 WeakPolarHBondContact CA-OG 3.41Å; S137-S140 PolarHBondContact O-OG 2.87Å; S137-L141 PolarHBondContact O-N 3.35Å; S137-L141 VanDerWaalsContact O-N 3.11Å; S137-G142 PolarHBondContact O-N 3.15Å
138	F	88.2	Confident	94.2	Very high	96 Å²	96	19.6 Å²	19.6	42%	0.421	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-51.6	-175.1	-81.6	-66.8	0	0	0	112.7	V134 L135 L141 W442	V134-F138 HydrophobicContact CG1-CE2 3.97Å; V134-F138 HydrophobicContact CG1-CZ 3.95Å; L135-F138 HydrophobicContact CD1-CD2 4.49Å; L135-F138 WeakPolarHBondContact O-CD2 3.32Å; F138-L141 PolarHBondContact O-N 2.77Å; F138-W442 HydrophobicContact CE1-CH2 4.47Å; F138-W442 HydrophobicContact CE2-CD2 4.42Å; F138-W442 AromaticContact CE2-CE3 3.88Å; F138-W442 HydrophobicContact CE2-CE3 3.88Å; F138-W442 AromaticContact CE2-CH2 3.61Å; F138-W442 HydrophobicContact CE2-CH2 3.61Å; F138-W442 HydrophobicContact CE2-CZ2 4.15Å; F138-W442 AromaticContact CE2-CZ3 3.45Å; F138-W442 HydrophobicContact CE2-CZ3 3.45Å; F138-W442 VanDerWaalsContact CE2-CZ3 3.45Å; F138-W442 HydrophobicContact CZ-CE3 4.38Å; F138-W442 AromaticContact CZ-CH2 3.29Å; F138-W442 HydrophobicContact CZ-CH2 3.29Å; F138-W442 AromaticContact CZ-CZ2 3.7Å; F138-W442 HydrophobicContact CZ-CZ2 3.7Å; F138-W442 AromaticContact CZ-CZ3 3.68Å; F138-W442 HydrophobicContact CZ-CZ3 3.68Å
139	T	87.1	Confident	94.2	Very high	23 Å²	23	24.6 Å²	24.6	14%	0.141	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-30.7	-177	66.8	0	0	0	0	112.6	N46 M53 L141	N46-T139 WeakPolarHBondContact CB-O 3.4Å; N46-T139 VanDerWaalsContact CG-O 3.26Å; N46-T139 VanDerWaalsContact OD1-CB 3.27Å; N46-T139 WeakPolarHBondContact OD1-CB 3.44Å; N46-T139 PolarHBondContact OD1-OG1 3.4Å; N46-T139 VanDerWaalsContact OD1-OG1 3.12Å; M53-T139 VanDerWaalsContact SD-CA 3.54Å; M53-T139 HydrophobicContact SD-CG2 3.83Å; T139-L141 PolarHBondContact O-N 2.79Å
140	S	88.7	Confident	94.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.5	175	72.2	0	0	0	0	114.4	A128 S137 G142 V572	A128-S140 VanDerWaalsContact CB-CB 3.48Å; S137-S140 WeakPolarHBondContact CA-OG 3.41Å; S137-S140 PolarHBondContact O-OG 2.87Å; S140-G142 PolarHBondContact O-N 3.1Å; S140-G142 PolarHBondContact OG-N 3.27Å; S140-G142 PolarHBondContact OG-O 2.72Å; S140-V572 VanDerWaalsContact O-CG2 3.31Å; S140-V572 WeakPolarHBondContact O-CG2 3.43Å
141	L	91.9	Very high	94.3	Very high	72 Å²	72	24.9 Å²	24.9	38%	0.377	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.7	-172.5	-55.5	178.7	0	0	0	112.7	M53 S137 F138 T139 F571 V572	M53-L141 HydrophobicContact CE-CD2 4.09Å; S137-L141 PolarHBondContact O-N 3.35Å; S137-L141 VanDerWaalsContact O-N 3.11Å; F138-L141 PolarHBondContact O-N 2.77Å; T139-L141 PolarHBondContact O-N 2.79Å; L141-F571 HydrophobicContact CB-CB 4.23Å; L141-F571 PolarHBondContact O-N 2.93Å; L141-V572 HydrophobicContact CB-CG2 3.98Å
142	G	93.4	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	104.3	-164.2	179.7	0	0	0	0	0	115	G129 S137 S140 F569	G129-G142 WeakPolarHBondContact CA-O 3.39Å; S137-G142 PolarHBondContact O-N 3.15Å; S140-G142 PolarHBondContact O-N 3.1Å; S140-G142 PolarHBondContact OG-N 3.27Å; S140-G142 PolarHBondContact OG-O 2.72Å; G142-F569 CarbonylContact C-O 3.59Å; G142-F569 VanDerWaalsContact CA-O 3.26Å; G142-F569 WeakPolarHBondContact CA-O 3.47Å
143	Y	95.1	Very high	94.5	Very high	25 Å²	25	28.7 Å²	28.7	10%	0.098	14%	0.141	C	C	.	.			trans	-70.6	137	175.7	176.4	-112.6	0	0	0	111.4	G129 P145 F148 F565 Q568 F569 S570	G129-Y143 WeakPolarHBondContact O-CA 3.24Å; G129-Y143 WeakPolarHBondContact O-CD2 3.36Å; Y143-P145 HydrophobicContact CD1-CG 3.95Å; Y143-P145 HydrophobicContact CE1-CB 4.08Å; Y143-P145 HydrophobicContact CE1-CG 3.62Å; Y143-F148 HydrophobicContact CD2-CB 4.44Å; Y143-F148 HydrophobicContact CE2-CB 3.42Å; Y143-F148 VanDerWaalsContact CE2-CB 3.42Å; Y143-F148 HydrophobicContact CE2-CD1 4.08Å; Y143-F148 AromaticContact CE2-CD2 3.69Å; Y143-F148 HydrophobicContact CE2-CD2 3.69Å; Y143-F148 HydrophobicContact CE2-CE2 4.45Å; Y143-F148 AromaticContact CE2-CG 3.47Å; Y143-F148 HydrophobicContact CE2-CG 3.47Å; Y143-F148 VanDerWaalsContact CE2-CG 3.47Å; Y143-F148 AromaticContact CZ-CG 3.84Å; Y143-F148 WeakPolarHBondContact OH-CB 3.27Å; Y143-F148 WeakPolarHBondContact OH-CD1 3.28Å; Y143-F148 WeakPolarHBondContact OH-CG 3.46Å; Y143-F565 HydrophobicContact CE1-CE2 4.4Å; Y143-Q568 HydrophobicContact CD1-CB 4.29Å; Y143-Q568 HydrophobicContact CD2-CG 4.35Å; Y143-Q568 HydrophobicContact CG-CB 4.02Å; Y143-Q568 HydrophobicContact CG-CG 4.21Å; Y143-F569 PolarHBondContact N-O 2.84Å; Y143-S570 WeakPolarHBondContact O-CB 3.38Å; Y143-S570 PolarHBondContact O-OG 2.02Å
144	V	95.8	Very high	94.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.139	C	C	.	.			trans	-122.2	98.4	178.9	-177	0	0	0	0	107.9	P41 I45 G129 E146 T147 F148 V572	P41-V144 HydrophobicContact CG-CG1 4.33Å; I45-V144 HydrophobicContact CD1-CG1 3.88Å; I45-V144 HydrophobicContact CD1-CG2 4.15Å; I45-V144 HydrophobicContact CG1-CG1 4.49Å; I45-V144 HydrophobicContact CG2-CG2 4.45Å; G129-V144 PolarHBondContact O-N 3.13Å; V144-E146 HydrophobicContact CG1-CB 4.23Å; V144-E146 PolarHBondContact O-N 3.43Å; V144-T147 WeakPolarHBondContact CG1-OG1 3.3Å; V144-T147 WeakPolarHBondContact O-CB 3.28Å; V144-T147 PolarHBondContact O-N 2.87Å; V144-F148 PolarHBondContact O-N 3.41Å; V144-V572 HydrophobicContact CG2-CG2 3.87Å
145	P	94	Very high	94.8	Very high	44 Å²	44	28.2 Å²	28.2	29%	0.286	14%	0.139	S	C	.	.	H	α-helix	trans	-54	-38.1	178.8	-22.4	28.3	0	0	0	112.7	Y143 T147 F148 Q149	Y143-P145 HydrophobicContact CD1-CG 3.95Å; Y143-P145 HydrophobicContact CE1-CB 4.08Å; Y143-P145 HydrophobicContact CE1-CG 3.62Å; P145-T147 PolarHBondContact O-N 2.93Å; P145-F148 PolarHBondContact O-N 3.47Å; P145-Q149 WeakPolarHBondContact O-CB 3.33Å; P145-Q149 WeakPolarHBondContact O-CG 3.4Å; P145-Q149 PolarHBondContact O-N 3.36Å
146	E	94.7	Very high	95	Very high	60 Å²	60	27.1 Å²	27.1	28%	0.28	13%	0.133	S	C	.	.	H	α-helix	trans	-65.2	-19.2	178.3	-57.8	96.2	134.6	0	0	113.1	P41 V144 P150 R614	P41-E146 WeakPolarHBondContact CD-O 3.42Å; P41-E146 HydrophobicContact CG-CB 4.44Å; V144-E146 HydrophobicContact CG1-CB 4.23Å; V144-E146 PolarHBondContact O-N 3.43Å; E146-P150 WeakPolarHBondContact O-CD 3.21Å; E146-P150 WeakPolarHBondContact O-CG 3.4Å; E146-R614 IonicContact OE1-CZ 2.64Å; E146-R614 IonicContact OE1-NE 2.66Å; E146-R614 IonicContact OE1-NH2 2.76Å; E146-R614 PolarHBondContact OE1-NH2 3.13Å
147	T	97.3	Very high	95.2	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-91.7	-47.7	170.8	-53.6	0	0	0	0	110.8	P41 P127 A128 Y130 V144 P145 L151	P41-T147 WeakPolarHBondContact CD-OG1 3.46Å; P41-T147 WeakPolarHBondContact CG-OG1 3.39Å; P127-T147 HydrophobicContact CB-CG2 4.2Å; P127-T147 HydrophobicContact CG-CG2 3.94Å; A128-T147 WeakPolarHBondContact O-CB 3.47Å; A128-T147 WeakPolarHBondContact O-CG2 3.4Å; A128-T147 PolarHBondContact O-OG1 3.29Å; Y130-T147 HydrophobicContact CD1-CG2 3.74Å; Y130-T147 HydrophobicContact CG-CG2 4.44Å; V144-T147 WeakPolarHBondContact CG1-OG1 3.3Å; V144-T147 WeakPolarHBondContact O-CB 3.28Å; V144-T147 PolarHBondContact O-N 2.87Å; P145-T147 PolarHBondContact O-N 2.93Å; T147-L151 WeakPolarHBondContact O-CB 3.27Å; T147-L151 PolarHBondContact O-N 3.46Å
148	F	97.5	Very high	95.6	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-42.6	-173.4	-177.6	-88.8	0	0	0	113	A93 V94 K97 Y143 V144 P145 L151 V152	A93-F148 HydrophobicContact CB-CE2 3.98Å; A93-F148 HydrophobicContact CB-CZ 4.45Å; V94-F148 HydrophobicContact CB-CE2 4.47Å; V94-F148 HydrophobicContact CG2-CD2 3.8Å; V94-F148 HydrophobicContact CG2-CE2 3.61Å; V94-F148 HydrophobicContact CG2-CZ 4.45Å; K97-F148 HydrophobicContact CB-CE1 4.37Å; K97-F148 HydrophobicContact CB-CZ 4.05Å; K97-F148 HydrophobicContact CG-CE1 4.22Å; K97-F148 HydrophobicContact CG-CZ 4.38Å; Y143-F148 HydrophobicContact CD2-CB 4.44Å; Y143-F148 HydrophobicContact CE2-CB 3.42Å; Y143-F148 VanDerWaalsContact CE2-CB 3.42Å; Y143-F148 HydrophobicContact CE2-CD1 4.08Å; Y143-F148 AromaticContact CE2-CD2 3.69Å; Y143-F148 HydrophobicContact CE2-CD2 3.69Å; Y143-F148 HydrophobicContact CE2-CE2 4.45Å; Y143-F148 AromaticContact CE2-CG 3.47Å; Y143-F148 HydrophobicContact CE2-CG 3.47Å; Y143-F148 VanDerWaalsContact CE2-CG 3.47Å; Y143-F148 AromaticContact CZ-CG 3.84Å; Y143-F148 WeakPolarHBondContact OH-CB 3.27Å; Y143-F148 WeakPolarHBondContact OH-CD1 3.28Å; Y143-F148 WeakPolarHBondContact OH-CG 3.46Å; V144-F148 PolarHBondContact O-N 3.41Å; P145-F148 PolarHBondContact O-N 3.47Å; F148-L151 PolarHBondContact O-N 2.84Å; F148-V152 HydrophobicContact CD1-CG2 4.07Å; F148-V152 HydrophobicContact CE1-CG2 3.68Å; F148-V152 HydrophobicContact CE2-CG2 4.38Å; F148-V152 HydrophobicContact CZ-CG2 3.85Å; F148-V152 WeakPolarHBondContact O-CG2 3.36Å; F148-V152 PolarHBondContact O-N 2.61Å
149	Q	97	Very high	96.1	Very high	104 Å²	104	23.5 Å²	23.5	49%	0.486	12%	0.119	S	C	.	.	H	α-helix	trans	-67.4	-52	-176.4	-69.1	173.8	-15.4	0	0	112	P145 L151 V152 E153	P145-Q149 WeakPolarHBondContact O-CB 3.33Å; P145-Q149 WeakPolarHBondContact O-CG 3.4Å; P145-Q149 PolarHBondContact O-N 3.36Å; Q149-L151 PolarHBondContact O-N 3.12Å; Q149-V152 PolarHBondContact O-N 3.15Å; Q149-E153 WeakPolarHBondContact O-CB 3.36Å; Q149-E153 WeakPolarHBondContact O-CG 3.46Å; Q149-E153 PolarHBondContact O-N 2.83Å
150	P	97.8	Very high	96.6	Very high	8 Å²	8	24 Å²	24	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-36.9	174.8	-31.8	41.4	0	0	0	114	E146 G154 V617 L619	E146-P150 WeakPolarHBondContact O-CD 3.21Å; E146-P150 WeakPolarHBondContact O-CG 3.4Å; P150-G154 PolarHBondContact O-N 3.37Å; P150-V617 HydrophobicContact CG-CG2 4.06Å; P150-L619 HydrophobicContact CB-CD1 3.85Å; P150-L619 HydrophobicContact CB-CD2 3.99Å; P150-L619 HydrophobicContact CB-CG 4.12Å; P150-L619 HydrophobicContact CG-CD1 4.32Å
151	L	98.5	Very high	97	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-50.5	177.5	-176.6	58.4	0	0	0	111.9	I38 I85 V94 Y130 T147 F148 Q149 I155	I38-L151 HydrophobicContact CB-CD1 3.96Å; I38-L151 HydrophobicContact CD1-CD1 3.68Å; I38-L151 HydrophobicContact CG1-CD1 4.34Å; I38-L151 HydrophobicContact CG2-CD1 4.19Å; I85-L151 HydrophobicContact CD1-CD1 4.17Å; V94-L151 HydrophobicContact CG1-CD2 4.27Å; V94-L151 HydrophobicContact CG1-CG 4.17Å; V94-L151 HydrophobicContact CG2-CD2 3.83Å; V94-L151 HydrophobicContact CG2-CG 4.41Å; Y130-L151 HydrophobicContact CD1-CD2 4.48Å; Y130-L151 HydrophobicContact CD2-CD2 3.9Å; Y130-L151 HydrophobicContact CE2-CD2 4.41Å; Y130-L151 HydrophobicContact CG-CD2 3.95Å; T147-L151 WeakPolarHBondContact O-CB 3.27Å; T147-L151 PolarHBondContact O-N 3.46Å; F148-L151 PolarHBondContact O-N 2.84Å; Q149-L151 PolarHBondContact O-N 3.12Å; L151-I155 HydrophobicContact CD1-CD1 3.96Å; L151-I155 HydrophobicContact CD1-CG1 4.47Å; L151-I155 HydrophobicContact CG-CD1 4.11Å; L151-I155 WeakPolarHBondContact O-CB 3.14Å; L151-I155 WeakPolarHBondContact O-CD1 3.36Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 2.85Å; L151-I155 VanDerWaalsContact O-N 3.08Å
152	V	98.5	Very high	97.3	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-48.6	177.7	170.9	0	0	0	0	111.1	V94 K97 V98 F148 Q149 I155 V156	V94-V152 HydrophobicContact CB-CG2 4.41Å; V94-V152 HydrophobicContact CG1-CG2 4.09Å; V94-V152 HydrophobicContact CG2-CG2 4.34Å; K97-V152 HydrophobicContact CB-CG1 4.24Å; K97-V152 HydrophobicContact CB-CG2 4.13Å; K97-V152 HydrophobicContact CG-CG1 3.96Å; K97-V152 HydrophobicContact CG-CG2 4.34Å; V98-V152 HydrophobicContact CG2-CG1 4.16Å; F148-V152 HydrophobicContact CD1-CG2 4.07Å; F148-V152 HydrophobicContact CE1-CG2 3.68Å; F148-V152 HydrophobicContact CE2-CG2 4.38Å; F148-V152 HydrophobicContact CZ-CG2 3.85Å; F148-V152 WeakPolarHBondContact O-CG2 3.36Å; F148-V152 PolarHBondContact O-N 2.61Å; Q149-V152 PolarHBondContact O-N 3.15Å; V152-I155 PolarHBondContact O-N 2.79Å; V152-V156 HydrophobicContact CG1-CG2 4.49Å; V152-V156 VanDerWaalsContact O-CG2 3.29Å; V152-V156 WeakPolarHBondContact O-CG2 3.46Å; V152-V156 PolarHBondContact O-N 2.94Å
153	E	98	Very high	97.5	Very high	87 Å²	87	27.3 Å²	27.3	41%	0.407	13%	0.134	S	C	.	.	H	α-helix	trans	-64.1	-44	-177.7	-71.6	178.4	-175.6	0	0	112	Q149 V156 N157	Q149-E153 WeakPolarHBondContact O-CB 3.36Å; Q149-E153 WeakPolarHBondContact O-CG 3.46Å; Q149-E153 PolarHBondContact O-N 2.83Å; E153-V156 PolarHBondContact O-N 2.96Å; E153-N157 WeakPolarHBondContact O-CB 3.39Å; E153-N157 PolarHBondContact O-N 3.39Å; E153-N157 PolarHBondContact O-ND2 2.92Å
154	G	98.4	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-36.5	178.1	0	0	0	0	0	112.7	H36 P150 N157 S158	H36-G154 WeakPolarHBondContact CB-O 3.39Å; P150-G154 PolarHBondContact O-N 3.37Å; G154-N157 PolarHBondContact O-N 2.87Å; G154-S158 WeakPolarHBondContact O-CB 3.37Å; G154-S158 PolarHBondContact O-N 3.42Å; G154-S158 PolarHBondContact O-OG 2.85Å
155	I	98.9	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-46.2	172.2	-68.2	163.8	0	0	0	111.3	I38 V83 I85 V94 V98 I118 L151 V152 N157 S158 I159	I38-I155 HydrophobicContact CG2-CG1 4.44Å; V83-I155 HydrophobicContact CG1-CG2 4.26Å; I85-I155 HydrophobicContact CD1-CD1 4.45Å; I85-I155 HydrophobicContact CG2-CD1 3.92Å; I85-I155 HydrophobicContact CG2-CG1 3.73Å; V94-I155 HydrophobicContact CG1-CD1 3.68Å; V98-I155 HydrophobicContact CB-CG2 4.39Å; V98-I155 HydrophobicContact CG1-CG2 3.76Å; V98-I155 HydrophobicContact CG2-CB 3.92Å; V98-I155 HydrophobicContact CG2-CD1 4.21Å; V98-I155 HydrophobicContact CG2-CG2 3.69Å; I118-I155 HydrophobicContact CD1-CG2 4.1Å; L151-I155 HydrophobicContact CD1-CD1 3.96Å; L151-I155 HydrophobicContact CD1-CG1 4.47Å; L151-I155 HydrophobicContact CG-CD1 4.11Å; L151-I155 WeakPolarHBondContact O-CB 3.14Å; L151-I155 WeakPolarHBondContact O-CD1 3.36Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 2.85Å; L151-I155 VanDerWaalsContact O-N 3.08Å; V152-I155 PolarHBondContact O-N 2.79Å; I155-N157 VanDerWaalsContact C-N 3.3Å; I155-N157 PolarHBondContact O-N 2.8Å; I155-S158 PolarHBondContact O-N 3.48Å; I155-S158 PolarHBondContact O-OG 3.32Å; I155-I159 HydrophobicContact CG2-CD1 4.05Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 3.47Å; I155-I159 VanDerWaalsContact O-N 3.15Å
156	V	98.7	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-42.5	178.8	176.6	0	0	0	0	110.2	V98 H101 L102 R105 V152 E153 I159 D160	V98-V156 HydrophobicContact CB-CG2 4.4Å; V98-V156 HydrophobicContact CG1-CG2 4.16Å; V98-V156 HydrophobicContact CG2-CG2 4.31Å; H101-V156 HydrophobicContact CB-CG1 4.35Å; H101-V156 HydrophobicContact CB-CG2 3.67Å; L102-V156 HydrophobicContact CD2-CG1 4.02Å; R105-V156 VanDerWaalsContact NH1-CG1 3.31Å; V152-V156 HydrophobicContact CG1-CG2 4.49Å; V152-V156 VanDerWaalsContact O-CG2 3.29Å; V152-V156 WeakPolarHBondContact O-CG2 3.46Å; V152-V156 PolarHBondContact O-N 2.94Å; E153-V156 PolarHBondContact O-N 2.96Å; V156-I159 PolarHBondContact O-N 2.6Å; V156-D160 PolarHBondContact O-N 3.03Å
157	N	98.4	Very high	97.9	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-31.8	-178.9	-66.1	-17.1	0	0	0	113.1	H36 R105 E153 G154 I155 I159 D160 L161	H36-N157 HydrophobicContact CB-CB 4.38Å; H36-N157 WeakPolarHBondContact CD2-CB 3.37Å; H36-N157 PolarHBondContact NE2-ND2 2.82Å; R105-N157 PolarHBondContact NH1-OD1 2.99Å; E153-N157 WeakPolarHBondContact O-CB 3.39Å; E153-N157 PolarHBondContact O-N 3.39Å; E153-N157 PolarHBondContact O-ND2 2.92Å; G154-N157 PolarHBondContact O-N 2.87Å; I155-N157 VanDerWaalsContact C-N 3.3Å; I155-N157 PolarHBondContact O-N 2.8Å; N157-I159 VanDerWaalsContact C-N 3.34Å; N157-D160 PolarHBondContact O-N 2.98Å; N157-L161 WeakPolarHBondContact O-CB 3.28Å; N157-L161 VanDerWaalsContact O-CG 3.31Å; N157-L161 WeakPolarHBondContact O-CG 3.19Å; N157-L161 PolarHBondContact O-N 3.06Å
158	S	98.8	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-38.7	172.8	69.3	0	0	0	0	110.9	S66 G154 I155 L161 A162	S66-S158 WeakPolarHBondContact O-CB 3.43Å; S66-S158 PolarHBondContact OG-OG 3.09Å; G154-S158 WeakPolarHBondContact O-CB 3.37Å; G154-S158 PolarHBondContact O-N 3.42Å; G154-S158 PolarHBondContact O-OG 2.85Å; I155-S158 PolarHBondContact O-N 3.48Å; I155-S158 PolarHBondContact O-OG 3.32Å; S158-L161 PolarHBondContact O-N 3.45Å; S158-A162 WeakPolarHBondContact O-CB 3.23Å; S158-A162 PolarHBondContact O-N 2.91Å
159	I	98.8	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-44.3	172.8	-65.1	170.8	0	0	0	110.8	A68 I70 V81 V83 V98 L102 F111 I155 V156 N157 L161 A162 Y163	A68-I159 HydrophobicContact CB-CG1 3.99Å; I70-I159 HydrophobicContact CD1-CG2 4.17Å; V81-I159 HydrophobicContact CG1-CD1 4.18Å; V81-I159 HydrophobicContact CG1-CG1 3.95Å; V81-I159 HydrophobicContact CG1-CG2 4.4Å; V83-I159 HydrophobicContact CG2-CD1 3.92Å; V83-I159 HydrophobicContact CG2-CG1 3.86Å; V98-I159 HydrophobicContact CG1-CD1 4.19Å; L102-I159 HydrophobicContact CD1-CD1 3.75Å; L102-I159 HydrophobicContact CD1-CG2 4.43Å; L102-I159 HydrophobicContact CD2-CB 4.32Å; L102-I159 HydrophobicContact CD2-CG2 3.84Å; F111-I159 HydrophobicContact CE1-CG2 4.47Å; F111-I159 HydrophobicContact CE2-CG2 4.43Å; F111-I159 HydrophobicContact CZ-CG2 4.23Å; I155-I159 HydrophobicContact CG2-CD1 4.05Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 3.47Å; I155-I159 VanDerWaalsContact O-N 3.15Å; V156-I159 PolarHBondContact O-N 2.6Å; N157-I159 VanDerWaalsContact C-N 3.34Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 2.81Å; I159-A162 PolarHBondContact O-N 3.15Å; I159-Y163 WeakPolarHBondContact O-CB 3.29Å; I159-Y163 PolarHBondContact O-N 2.95Å
160	D	97.9	Very high	97.9	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-44.7	176.8	-74.1	-5.7	0	0	0	111.9	R105 Y106 V156 N157 Y163 S164	R105-D160 IonicContact CZ-OD2 3.9Å; R105-D160 IonicContact NH1-OD2 3.27Å; R105-D160 PolarHBondContact NH1-OD2 3.48Å; Y106-D160 WeakPolarHBondContact CE2-OD1 3.24Å; Y106-D160 VanDerWaalsContact CZ-OD1 3.3Å; Y106-D160 VanDerWaalsContact OH-CG 3.27Å; Y106-D160 PolarHBondContact OH-OD1 2.81Å; V156-D160 PolarHBondContact O-N 3.03Å; N157-D160 PolarHBondContact O-N 2.98Å; D160-Y163 PolarHBondContact O-N 2.8Å; D160-S164 WeakPolarHBondContact O-CB 3.32Å; D160-S164 PolarHBondContact O-N 3.35Å; D160-S164 PolarHBondContact O-OG 3.18Å
161	L	98.2	Very high	98	Very high	70 Å²	70	38.1 Å²	38.1	37%	0.366	19%	0.19	S	C	.	.	H	α-helix	trans	-60.4	-47.1	175.1	-75.4	169.5	0	0	0	110.6	I35 N157 S158 I159 Y163 S164 N165	I35-L161 WeakPolarHBondContact O-CD1 3.48Å; N157-L161 WeakPolarHBondContact O-CB 3.28Å; N157-L161 VanDerWaalsContact O-CG 3.31Å; N157-L161 WeakPolarHBondContact O-CG 3.19Å; N157-L161 PolarHBondContact O-N 3.06Å; S158-L161 PolarHBondContact O-N 3.45Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 2.81Å; L161-Y163 VanDerWaalsContact C-N 3.34Å; L161-Y163 PolarHBondContact O-N 3.12Å; L161-S164 PolarHBondContact O-N 3.1Å; L161-S164 PolarHBondContact O-OG 3.06Å; L161-N165 VanDerWaalsContact O-CB 3.26Å; L161-N165 WeakPolarHBondContact O-CB 3.17Å; L161-N165 PolarHBondContact O-N 3.02Å; L161-N165 PolarHBondContact O-ND2 2.86Å; L161-N165 VanDerWaalsContact O-ND2 3.12Å
162	A	98.6	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-46.5	176.5	0	0	0	0	0	112	G32 V33 A68 I70 S158 I159 N165 M166	G32-A162 WeakPolarHBondContact CA-O 3.48Å; V33-A162 VanDerWaalsContact C-CA 3.44Å; V33-A162 WeakPolarHBondContact O-CA 3.28Å; A68-A162 HydrophobicContact CB-CB 4.09Å; I70-A162 HydrophobicContact CD1-CB 3.99Å; I70-A162 HydrophobicContact CG1-CB 3.82Å; S158-A162 WeakPolarHBondContact O-CB 3.23Å; S158-A162 PolarHBondContact O-N 2.91Å; I159-A162 PolarHBondContact O-N 3.15Å; A162-N165 PolarHBondContact O-N 3.31Å; A162-M166 PolarHBondContact O-N 3.13Å
163	Y	97.3	Very high	97.9	Very high	73 Å²	73	39.2 Å²	39.2	29%	0.286	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-44.1	179.8	-169	-104.5	0	0	0	112.2	I70 Y106 L110 F111 I159 D160 L161 N165 M166	I70-Y163 HydrophobicContact CD1-CD2 4Å; I70-Y163 HydrophobicContact CD1-CG 4.35Å; Y106-Y163 HydrophobicContact CD1-CD1 4.38Å; Y106-Y163 HydrophobicContact CD1-CE1 4.17Å; Y106-Y163 AromaticContact CE1-CD1 3.52Å; Y106-Y163 HydrophobicContact CE1-CD1 3.52Å; Y106-Y163 AromaticContact CE1-CE1 3.71Å; Y106-Y163 HydrophobicContact CE1-CE1 3.71Å; Y106-Y163 HydrophobicContact CE1-CG 4.22Å; L110-Y163 HydrophobicContact CD2-CE2 3.96Å; F111-Y163 AromaticContact CZ-CD2 3.77Å; F111-Y163 HydrophobicContact CZ-CD2 3.77Å; F111-Y163 HydrophobicContact CZ-CE2 4.23Å; F111-Y163 HydrophobicContact CZ-CG 4.29Å; I159-Y163 WeakPolarHBondContact O-CB 3.29Å; I159-Y163 PolarHBondContact O-N 2.95Å; D160-Y163 PolarHBondContact O-N 2.8Å; L161-Y163 VanDerWaalsContact C-N 3.34Å; L161-Y163 PolarHBondContact O-N 3.12Å; Y163-N165 PolarHBondContact O-N 3.08Å; Y163-M166 HydrophobicContact CD2-CE 3.54Å; Y163-M166 HydrophobicContact CD2-SD 3.99Å; Y163-M166 HydrophobicContact CE1-CE 4.5Å; Y163-M166 HydrophobicContact CE2-CE 3.34Å; Y163-M166 HydrophobicContact CE2-SD 4.18Å; Y163-M166 HydrophobicContact CG-CE 4.23Å; Y163-M166 WeakPolarHBondContact O-CG 3.3Å; Y163-M166 PolarHBondContact O-N 2.59Å
164	S	97	Very high	98	Very high	83 Å²	83	35.8 Å²	35.8	58%	0.58	18%	0.181	S	C	*	.	H	α-helix	trans	-66.1	-22.3	176.7	73.4	0	0	0	0	113.8	D160 L161	D160-S164 WeakPolarHBondContact O-CB 3.32Å; D160-S164 PolarHBondContact O-N 3.35Å; D160-S164 PolarHBondContact O-OG 3.18Å; L161-S164 PolarHBondContact O-N 3.1Å; L161-S164 PolarHBondContact O-OG 3.06Å
165	N	97.3	Very high	97.9	Very high	71 Å²	71	40.4 Å²	40.4	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	9.6	-177.4	-72.1	-28.3	0	0	0	113.6	V33 L161 A162 Y163 K167	V33-N165 PolarHBondContact O-ND2 3.27Å; L161-N165 VanDerWaalsContact O-CB 3.26Å; L161-N165 WeakPolarHBondContact O-CB 3.17Å; L161-N165 PolarHBondContact O-N 3.02Å; L161-N165 PolarHBondContact O-ND2 2.86Å; L161-N165 VanDerWaalsContact O-ND2 3.12Å; A162-N165 PolarHBondContact O-N 3.31Å; Y163-N165 PolarHBondContact O-N 3.08Å; N165-K167 PolarHBondContact O-N 3.42Å
166	M	97.1	Very high	97.9	Very high	45 Å²	45	41.1 Å²	41.1	22%	0.222	21%	0.211	C	C	.	.			trans	-58.7	131.4	-179	-75	-167.9	-56.3	0	0	112.2	I31 I70 A162 Y163	I31-M166 WeakPolarHBondContact O-CA 3.29Å; I70-M166 HydrophobicContact CG2-SD 3.86Å; A162-M166 PolarHBondContact O-N 3.13Å; Y163-M166 HydrophobicContact CD2-CE 3.54Å; Y163-M166 HydrophobicContact CD2-SD 3.99Å; Y163-M166 HydrophobicContact CE1-CE 4.5Å; Y163-M166 HydrophobicContact CE2-CE 3.34Å; Y163-M166 HydrophobicContact CE2-SD 4.18Å; Y163-M166 HydrophobicContact CG-CE 4.23Å; Y163-M166 WeakPolarHBondContact O-CG 3.3Å; Y163-M166 PolarHBondContact O-N 2.59Å
167	K	96.5	Very high	97.9	Very high	117 Å²	117	45 Å²	45	51%	0.509	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152.1	178.4	-66.1	173.3	-171.6	176.7	0	109.9	I31 N165 G169	I31-K167 PolarHBondContact N-O 3.05Å; I31-K167 PolarHBondContact O-N 2.93Å; N165-K167 PolarHBondContact O-N 3.42Å; K167-G169 PolarHBondContact O-N 2.78Å
168	E	97.1	Very high	97.9	Very high	132 Å²	132	43.7 Å²	43.7	62%	0.617	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.8	170.8	-68	-179.8	-177.2	0	0	110.9	Y29 L30 T216 M217	Y29-E168 CarbonylContact O-C 3.59Å; Y29-E168 VanDerWaalsContact O-CA 3.29Å; Y29-E168 WeakPolarHBondContact O-CA 3.17Å; L30-E168 HydrophobicContact CD2-CG 3.74Å; E168-T216 WeakPolarHBondContact O-CA 3.43Å; E168-M217 HydrophobicContact CB-CG 3.81Å; E168-M217 PolarHBondContact O-N 3.29Å; E168-M217 VanDerWaalsContact O-N 3.17Å
169	G	97.5	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-177.6	-173	0	0	0	0	0	114.7	G28 Y29 K167 V215	G28-G169 CarbonylContact C-O 3.52Å; G28-G169 WeakPolarHBondContact CA-O 3.4Å; Y29-G169 PolarHBondContact N-O 3.28Å; Y29-G169 PolarHBondContact O-N 2.92Å; K167-G169 PolarHBondContact O-N 2.78Å; G169-V215 CarbonylContact C-O 3.5Å; G169-V215 WeakPolarHBondContact CA-O 3.35Å
170	K	97.5	Very high	97.6	Very high	37 Å²	37	53.8 Å²	53.8	16%	0.161	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.5	-179.8	-71.2	174.6	-84.2	171.4	0	110.3	V215 M217 N219 E345	K170-V215 HydrophobicContact CB-CG2 3.9Å; K170-V215 PolarHBondContact N-O 3.02Å; K170-V215 PolarHBondContact O-N 3.46Å; K170-M217 HydrophobicContact CG-SD 4.19Å; K170-N219 PolarHBondContact NZ-OD1 3.07Å; K170-E345 WeakPolarHBondContact CD-OE2 3.28Å
171	I	98.2	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.5	176.9	-54.9	176	0	0	0	107.2	Y29 I31 I71 L212 K213 F214 E345 I346 I454	Y29-I171 HydrophobicContact CD2-CD1 3.92Å; Y29-I171 HydrophobicContact CD2-CG1 4Å; Y29-I171 HydrophobicContact CE2-CD1 4.07Å; Y29-I171 HydrophobicContact CE2-CG1 4.23Å; Y29-I171 HydrophobicContact CG-CD1 4.45Å; I31-I171 HydrophobicContact CD1-CD1 4.42Å; I31-I171 HydrophobicContact CD1-CG1 3.75Å; I71-I171 HydrophobicContact CD1-CD1 4.38Å; I71-I171 HydrophobicContact CG1-CD1 4.05Å; I71-I171 HydrophobicContact CG2-CD1 3.77Å; I171-L212 HydrophobicContact CG2-CB 4.31Å; I171-L212 HydrophobicContact CG2-CD2 4.31Å; I171-K213 WeakPolarHBondContact CA-O 3.5Å; I171-F214 HydrophobicContact CD1-CD1 4.25Å; I171-F214 HydrophobicContact CD1-CE1 3.94Å; I171-F214 HydrophobicContact CG1-CD1 3.86Å; I171-F214 HydrophobicContact CG1-CE1 3.98Å; I171-F214 HydrophobicContact CG2-CD1 4.44Å; I171-F214 HydrophobicContact CG2-CE1 4.18Å; I171-E345 WeakPolarHBondContact O-CA 3.32Å; I171-I346 HydrophobicContact CB-CB 4.39Å; I171-I346 HydrophobicContact CG2-CB 4.38Å; I171-I346 HydrophobicContact CG2-CG1 4.47Å; I171-I346 PolarHBondContact O-N 3.41Å; I171-I454 HydrophobicContact CD1-CD1 4.05Å; I171-I454 HydrophobicContact CD1-CG2 3.97Å
172	L	98.1	Very high	97.6	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.6	177.8	-52.7	177.7	0	0	0	109	L212 K213 V215 A342 T344 E345	L172-L212 CarbonylContact O-C 3.53Å; L172-L212 WeakPolarHBondContact O-CA 3.42Å; L172-K213 HydrophobicContact CB-CB 4.26Å; L172-K213 HydrophobicContact CD1-CD 4.33Å; L172-K213 PolarHBondContact N-O 2.86Å; L172-K213 PolarHBondContact O-N 2.76Å; L172-V215 HydrophobicContact CD1-CG1 4.42Å; L172-V215 HydrophobicContact CD1-CG2 4.36Å; L172-V215 HydrophobicContact CG-CG2 4.47Å; L172-A342 HydrophobicContact CB-CB 4.01Å; L172-T344 CarbonylContact C-O 3.47Å; L172-T344 WeakPolarHBondContact CA-O 3.48Å; L172-E345 HydrophobicContact CD2-CB 4Å; L172-E345 HydrophobicContact CD2-CG 4.16Å
173	K	98.2	Very high	97.6	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.4	176.7	179.6	174.8	177.8	-92.9	0	110.5	E175 L211 L212 T344 I346 E498	K173-E175 IonicContact NZ-OE1 2.83Å; K173-E175 IonicContact NZ-OE2 3.66Å; K173-E175 PolarHBondContact NZ-OE2 2.89Å; K173-L211 WeakPolarHBondContact CA-O 3.47Å; K173-L212 HydrophobicContact CB-CD2 3.98Å; K173-L212 HydrophobicContact CG-CD2 4.16Å; K173-T344 PolarHBondContact N-O 3.45Å; K173-I346 HydrophobicContact CB-CD1 3.76Å; K173-I346 HydrophobicContact CB-CG1 3.87Å; K173-I346 HydrophobicContact CD-CD1 4Å; K173-E498 VanDerWaalsContact CE-OE2 3.24Å; K173-E498 WeakPolarHBondContact CE-OE2 3.43Å; K173-E498 IonicContact NZ-OE2 2.8Å; K173-E498 PolarHBondContact NZ-OE2 3.2Å
174	A	98.4	Very high	97.7	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.5	163	0	0	0	0	0	109.1	L211 L338 A342	A174-L211 PolarHBondContact N-O 2.83Å; A174-L211 PolarHBondContact O-N 2.82Å; A174-L338 HydrophobicContact CB-CB 3.9Å; A174-L338 HydrophobicContact CB-CD2 4.16Å; A174-L338 VanDerWaalsContact CB-O 3.26Å; A174-L338 WeakPolarHBondContact CB-O 3.34Å; A174-A342 HydrophobicContact CB-CB 3.81Å
175	E	98.2	Very high	97.8	Very high	97 Å²	97	45.1 Å²	45.1	45%	0.453	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.8	174.8	68.5	-175.3	-167.6	0	0	111.5	K173 M209 I210 L338	K173-E175 IonicContact NZ-OE1 2.83Å; K173-E175 IonicContact NZ-OE2 3.66Å; K173-E175 PolarHBondContact NZ-OE2 2.89Å; E175-M209 CarbonylContact C-O 3.59Å; E175-M209 WeakPolarHBondContact CA-O 3.48Å; E175-I210 HydrophobicContact CB-CB 4.49Å; E175-I210 HydrophobicContact CB-CG1 4.07Å; E175-L338 VanDerWaalsContact O-CD2 3.28Å; E175-L338 WeakPolarHBondContact O-CD2 3.35Å
176	G	98.1	Very high	97.8	Very high	16 Å²	16	41.8 Å²	41.8	17%	0.165	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	166	169.7	0	0	0	0	0	113.2	N208 M209 K334	G176-N208 PolarHBondContact N-OD1 3.27Å; G176-M209 PolarHBondContact N-O 2.91Å; G176-M209 WeakPolarHBondContact O-CB 3.4Å; G176-M209 PolarHBondContact O-N 3.3Å; G176-K334 VanDerWaalsContact C-CE 3.44Å; G176-K334 VanDerWaalsContact O-CE 3.22Å; G176-K334 WeakPolarHBondContact O-CE 3.16Å
177	D	98	Very high	97.9	Very high	81 Å²	81	41 Å²	41	43%	0.433	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.5	-170.5	-65.9	-25.8	0	0	0	113.4	H179 K207 K334	D177-H179 WeakPolarHBondContact CB-NE2 3.3Å; D177-K207 WeakPolarHBondContact CA-O 3.41Å; D177-K207 HydrophobicContact CB-CB 3.93Å; D177-K207 HydrophobicContact CB-CD 4.33Å; D177-K334 WeakPolarHBondContact O-CE 3.36Å; D177-K334 PolarHBondContact O-NZ 3.4Å
178	L	98.3	Very high	98	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.073	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-103.1	118	166.2	178	53	0	0	0	109.3	A181 K207 M209 F228 K330 Q331 K334	L178-A181 HydrophobicContact CD1-CB 4.29Å; L178-A181 HydrophobicContact CD2-CB 3.68Å; L178-A181 HydrophobicContact CG-CB 3.72Å; L178-K207 PolarHBondContact N-O 3.5Å; L178-M209 HydrophobicContact CB-CE 4.5Å; L178-M209 HydrophobicContact CD2-CE 3.56Å; L178-F228 HydrophobicContact CB-CD2 4.36Å; L178-F228 HydrophobicContact CB-CE2 3.82Å; L178-F228 HydrophobicContact CB-CZ 4.04Å; L178-F228 HydrophobicContact CD2-CD1 4.08Å; L178-F228 HydrophobicContact CD2-CE1 3.74Å; L178-F228 HydrophobicContact CD2-CE2 4.26Å; L178-F228 HydrophobicContact CD2-CG 4.48Å; L178-F228 HydrophobicContact CD2-CZ 3.85Å; L178-F228 HydrophobicContact CG-CE1 4.41Å; L178-F228 HydrophobicContact CG-CE2 4.33Å; L178-F228 HydrophobicContact CG-CZ 4.03Å; L178-K330 HydrophobicContact CD1-CB 4.3Å; L178-Q331 HydrophobicContact CD2-CB 4.44Å; L178-Q331 HydrophobicContact CD2-CG 3.88Å; L178-K334 HydrophobicContact CB-CG 4.17Å; L178-K334 HydrophobicContact CD1-CB 4.01Å; L178-K334 HydrophobicContact CD1-CG 4.44Å; L178-K334 HydrophobicContact CD2-CB 4.46Å
179	H	96.6	Very high	98	Very high	90 Å²	90	29.8 Å²	29.8	42%	0.417	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-100.3	157.4	178.3	-61	-105.3	0	0	0	110.9	D177 A181 K207	D177-H179 WeakPolarHBondContact CB-NE2 3.3Å; H179-A181 PolarHBondContact O-N 3.35Å; H179-A181 VanDerWaalsContact O-N 3.11Å; H179-K207 PolarHBondContact ND1-NZ 3.06Å
180	N	95.7	Very high	98.1	Very high	122 Å²	122	30.1 Å²	30.1	65%	0.652	16%	0.161	S	C	*	.	S	Bend	trans	58.9	21.5	173.2	-53	-35.7	0	0	0	115.1	K330	N180-K330 WeakPolarHBondContact O-CD 3.25Å; N180-K330 WeakPolarHBondContact O-CE 3.48Å; N180-K330 PolarHBondContact O-NZ 2.68Å
181	A	98.1	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-106.7	-7.1	174.1	0	0	0	0	0	112.7	L178 H179 F228 K330	L178-A181 HydrophobicContact CD1-CB 4.29Å; L178-A181 HydrophobicContact CD2-CB 3.68Å; L178-A181 HydrophobicContact CG-CB 3.72Å; H179-A181 PolarHBondContact O-N 3.35Å; H179-A181 VanDerWaalsContact O-N 3.11Å; A181-F228 HydrophobicContact CB-CE1 4.07Å; A181-F228 HydrophobicContact CB-CZ 4.21Å; A181-K330 HydrophobicContact CB-CB 4.23Å; A181-K330 HydrophobicContact CB-CD 4.3Å
182	S	98.2	Very high	98.1	Very high	14 Å²	14	37.5 Å²	37.5	10%	0.098	20%	0.199	C	C	.	.			trans	-154.3	158.2	-177.5	53.6	0	0	0	0	112.6	S282	S182-S282 CarbonylContact C-O 3.46Å; S182-S282 WeakPolarHBondContact CA-O 3.49Å
183	I	98.5	Very high	98.2	Very high	43 Å²	43	36.7 Å²	36.7	22%	0.221	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.9	168.6	59.8	167.6	0	0	0	109.6	V281 S282 N284 T285	I183-V281 CarbonylContact O-C 3.59Å; I183-V281 WeakPolarHBondContact O-CA 3.47Å; I183-S282 PolarHBondContact N-O 2.88Å; I183-S282 PolarHBondContact O-N 2.88Å; I183-N284 WeakPolarHBondContact CD1-O 3.44Å; I183-T285 HydrophobicContact CG2-CG2 4.39Å
184	N	98.7	Very high	98.1	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.8	169.5	-166.3	-54.9	0	0	0	109.4	S186 N204 V205 D280	N184-S186 WeakPolarHBondContact OD1-CA 3.35Å; N184-S186 PolarHBondContact OD1-N 3.38Å; N184-S186 PolarHBondContact OD1-O 3.39Å; N184-N204 HydrophobicContact CB-CB 4.31Å; N184-N204 PolarHBondContact ND2-O 3.32Å; N184-V205 HydrophobicContact CB-CG1 3.87Å; N184-V205 VanDerWaalsContact N-CG1 3.32Å; N184-D280 CarbonylContact C-O 3.58Å; N184-D280 VanDerWaalsContact CA-O 3.25Å; N184-D280 WeakPolarHBondContact CA-O 3.29Å; N184-D280 PolarHBondContact ND2-OD2 3.24Å; N184-D280 PolarHBondContact OD1-O 3.01Å
185	R	98.5	Very high	98.1	Very high	9 Å²	9	42.2 Å²	42.2	3%	0.034	23%	0.228	C	C	.	.	S	Bend	trans	-89.4	-7.3	179.6	76	-174.3	-177.8	-170.1	-7.2	113.9	H231 G279 D280 D388 Y511 R522 E524	R185-H231 PolarHBondContact NH2-CE1 3.12Å; R185-G279 PolarHBondContact NH2-O 3.44Å; R185-D280 PolarHBondContact N-O 2.61Å; R185-D388 WeakPolarHBondContact CD-OD2 3.37Å; R185-D388 IonicContact NH1-OD2 3.07Å; R185-D388 PolarHBondContact NH1-OD2 2.67Å; R185-D388 VanDerWaalsContact NH1-OD2 3.16Å; R185-Y511 PolarHBondContact NH2-OH 3.01Å; R185-R522 PolarHBondContact O-NH2 3.33Å; R185-E524 IonicContact CZ-OE1 3.65Å; R185-E524 IonicContact NE-OE1 2.96Å; R185-E524 PolarHBondContact NE-OE1 2.8Å; R185-E524 IonicContact NH2-OE1 3.76Å; R185-E524 PolarHBondContact NH2-OE1 3Å
186	S	98.6	Very high	98.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	24%	0.237	C	C	.	.			trans	-130.5	51.3	175.9	-74.6	0	0	0	0	112	N184 A188 A189 Y190 R522 E524	N184-S186 WeakPolarHBondContact OD1-CA 3.35Å; N184-S186 PolarHBondContact OD1-N 3.38Å; N184-S186 PolarHBondContact OD1-O 3.39Å; S186-A188 PolarHBondContact O-N 2.84Å; S186-A188 VanDerWaalsContact O-N 3.17Å; S186-A189 WeakPolarHBondContact O-CB 3.19Å; S186-A189 PolarHBondContact O-N 3.38Å; S186-Y190 PolarHBondContact O-N 3.27Å; S186-R522 VanDerWaalsContact CB-NE 3.33Å; S186-R522 PolarHBondContact OG-NE 3.24Å; S186-R522 PolarHBondContact OG-NH2 3.02Å; S186-E524 WeakPolarHBondContact CB-OE2 3.32Å; S186-E524 VanDerWaalsContact OG-CD 3.28Å; S186-E524 PolarHBondContact OG-OE1 3.03Å; S186-E524 PolarHBondContact OG-OE2 2.84Å
187	P	98.2	Very high	98.1	Very high	29 Å²	29	44.1 Å²	44.1	19%	0.188	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-32	-172.6	26.6	-35.6	0	0	0	112.6	A189 Y190 L191 F299	P187-A189 VanDerWaalsContact C-N 3.31Å; P187-A189 PolarHBondContact O-N 3.31Å; P187-Y190 PolarHBondContact O-N 3.49Å; P187-L191 VanDerWaalsContact O-CG 3.29Å; P187-L191 WeakPolarHBondContact O-CG 3.01Å; P187-L191 PolarHBondContact O-N 3.14Å; P187-L191 VanDerWaalsContact O-N 3.12Å; P187-F299 HydrophobicContact CB-CE2 4.01Å; P187-F299 HydrophobicContact CB-CZ 4Å; P187-F299 HydrophobicContact CG-CD2 4.32Å; P187-F299 HydrophobicContact CG-CE2 3.53Å; P187-F299 HydrophobicContact CG-CZ 3.93Å
188	A	98.3	Very high	98.1	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-40	173.9	0	0	0	0	0	112.3	S186 L191 F299 V300 L520	S186-A188 PolarHBondContact O-N 2.84Å; S186-A188 VanDerWaalsContact O-N 3.17Å; A188-L191 PolarHBondContact O-N 2.92Å; A188-F299 HydrophobicContact CB-CD1 3.83Å; A188-F299 HydrophobicContact CB-CE1 3.57Å; A188-F299 HydrophobicContact CB-CZ 4.23Å; A188-V300 HydrophobicContact CB-CG2 4.12Å; A188-L520 HydrophobicContact CB-CD2 3.77Å
189	A	98.7	Very high	98	Very high	7 Å²	7	45 Å²	45	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-71.3	-40.9	178	0	0	0	0	0	111.3	S186 P187 L191 E192 E517 L520	S186-A189 WeakPolarHBondContact O-CB 3.19Å; S186-A189 PolarHBondContact O-N 3.38Å; P187-A189 VanDerWaalsContact C-N 3.31Å; P187-A189 PolarHBondContact O-N 3.31Å; A189-L191 PolarHBondContact O-N 2.94Å; A189-E192 WeakPolarHBondContact O-CB 3.22Å; A189-E192 PolarHBondContact O-N 3.05Å; A189-E517 HydrophobicContact CB-CB 4.19Å; A189-E517 HydrophobicContact CB-CG 4.16Å; A189-E517 VanDerWaalsContact O-CG 3.24Å; A189-E517 WeakPolarHBondContact O-CG 3.4Å; A189-L520 HydrophobicContact CB-CD2 4.05Å
190	Y	98.8	Very high	98.1	Very high	8 Å²	8	47.3 Å²	47.3	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-56	-38.9	175.6	176.9	-85.6	0	0	0	112	S186 P187 E192 N193 Q198 N204 T468 M469 R472	S186-Y190 PolarHBondContact O-N 3.27Å; P187-Y190 PolarHBondContact O-N 3.49Å; Y190-E192 PolarHBondContact O-N 3.38Å; Y190-N193 WeakPolarHBondContact O-CB 3.39Å; Y190-N193 PolarHBondContact O-N 2.98Å; Y190-N193 PolarHBondContact O-ND2 3.24Å; Y190-Q198 HydrophobicContact CE1-CB 4.36Å; Y190-Q198 HydrophobicContact CE1-CG 3.91Å; Y190-N204 HydrophobicContact CD1-CB 3.51Å; Y190-N204 HydrophobicContact CD2-CB 3.85Å; Y190-N204 HydrophobicContact CE1-CB 3.55Å; Y190-N204 HydrophobicContact CE2-CB 3.87Å; Y190-N204 HydrophobicContact CG-CB 3.67Å; Y190-T468 HydrophobicContact CE2-CG2 4.33Å; Y190-M469 HydrophobicContact CE2-CB 4.49Å; Y190-M469 HydrophobicContact CE2-CE 3.7Å; Y190-R472 PolarHBondContact OH-NH1 2.94Å
191	L	98.5	Very high	98.1	Very high	92 Å²	92	43.9 Å²	43.9	48%	0.482	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.7	-179.9	-69.9	174.1	0	0	0	113.9	P187 A188 A189 N193 Q198 F299	P187-L191 VanDerWaalsContact O-CG 3.29Å; P187-L191 WeakPolarHBondContact O-CG 3.01Å; P187-L191 PolarHBondContact O-N 3.14Å; P187-L191 VanDerWaalsContact O-N 3.12Å; A188-L191 PolarHBondContact O-N 2.92Å; A189-L191 PolarHBondContact O-N 2.94Å; L191-N193 VanDerWaalsContact C-N 3.31Å; L191-Q198 PolarHBondContact O-NE2 3.08Å; L191-F299 HydrophobicContact CD1-CE1 4.09Å; L191-F299 HydrophobicContact CD1-CZ 3.95Å
192	E	98.3	Very high	97.9	Very high	100 Å²	100	47.9 Å²	47.9	47%	0.467	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.7	174.3	-61.1	-61.3	146	0	0	112.6	A189 Y190 E516 L520	A189-E192 WeakPolarHBondContact O-CB 3.22Å; A189-E192 PolarHBondContact O-N 3.05Å; Y190-E192 PolarHBondContact O-N 3.38Å; E192-E516 HydrophobicContact CB-CB 4.25Å; E192-E516 WeakPolarHBondContact O-CB 3.23Å; E192-L520 HydrophobicContact CG-CB 4.35Å; E192-L520 HydrophobicContact CG-CD2 4.47Å
193	N	98.6	Very high	97.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	29%	0.288	C	S	.	.	S	Bend	trans	-61.1	156.2	173.1	-66.6	-63.5	0	0	0	110.6	Y190 L191 V195 Q198 M469 T514 E517	Y190-N193 WeakPolarHBondContact O-CB 3.39Å; Y190-N193 PolarHBondContact O-N 2.98Å; Y190-N193 PolarHBondContact O-ND2 3.24Å; L191-N193 VanDerWaalsContact C-N 3.31Å; N193-V195 PolarHBondContact O-N 2.67Å; N193-Q198 HydrophobicContact CB-CG 4.19Å; N193-Q198 PolarHBondContact O-NE2 2.93Å; N193-M469 HydrophobicContact CB-CG 4.34Å; N193-M469 WeakPolarHBondContact ND2-CB 3.41Å; N193-T514 WeakPolarHBondContact OD1-CB 3.31Å; N193-T514 WeakPolarHBondContact OD1-CG2 3.22Å; N193-T514 PolarHBondContact OD1-OG1 2.88Å; N193-E517 PolarHBondContact ND2-OE1 3.19Å
194	P	97.8	Very high	97.6	Very high	34 Å²	34	51.7 Å²	51.7	22%	0.221	29%	0.29	C	S	.	.			trans	-57.3	135.9	-179.3	-23.2	33	0	0	0	112.7	E196 E197 Q198	P194-E196 VanDerWaalsContact C-N 3.25Å; P194-E196 VanDerWaalsContact CB-CD 3.48Å; P194-E196 HydrophobicContact CB-CG 4.41Å; P194-E196 WeakPolarHBondContact CB-OE1 3.44Å; P194-E196 PolarHBondContact O-N 3.01Å; P194-E197 HydrophobicContact CB-CB 4.26Å; P194-E197 WeakPolarHBondContact O-CA 3.43Å; P194-E197 WeakPolarHBondContact O-CB 3.19Å; P194-E197 PolarHBondContact O-N 3.09Å; P194-Q198 WeakPolarHBondContact O-CG 3.45Å; P194-Q198 PolarHBondContact O-N 2.99Å
195	V	97.9	Very high	97.6	Very high	109 Å²	109	51.4 Å²	51.4	66%	0.661	29%	0.288	S	S	*	.	H	α-helix	trans	-59.9	-38.3	-173.6	175.6	0	0	0	0	111.4	N193 E197 Q198 A199	N193-V195 PolarHBondContact O-N 2.67Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 2.84Å; V195-Q198 PolarHBondContact O-N 2.78Å; V195-A199 WeakPolarHBondContact O-CB 3.17Å; V195-A199 PolarHBondContact O-N 2.82Å
196	E	97.5	Very high	97.6	Very high	140 Å²	140	51.8 Å²	51.8	65%	0.654	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-31.4	175.4	66.7	-80.2	-171.5	0	0	113	P194 R200	P194-E196 VanDerWaalsContact C-N 3.25Å; P194-E196 VanDerWaalsContact CB-CD 3.48Å; P194-E196 HydrophobicContact CB-CG 4.41Å; P194-E196 WeakPolarHBondContact CB-OE1 3.44Å; P194-E196 PolarHBondContact O-N 3.01Å; E196-R200 WeakPolarHBondContact O-CG 3.42Å
197	E	98	Very high	97.6	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.065	30%	0.295	C	S	.	.	H	α-helix	trans	-76.6	-42.9	175.2	-170.3	177.5	-129	0	0	110.3	P194 V195 A199 R200 Y201 K367 M469 R473	P194-E197 HydrophobicContact CB-CB 4.26Å; P194-E197 WeakPolarHBondContact O-CA 3.43Å; P194-E197 WeakPolarHBondContact O-CB 3.19Å; P194-E197 PolarHBondContact O-N 3.09Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 2.84Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 3.32Å; E197-R200 WeakPolarHBondContact O-CB 3.14Å; E197-R200 PolarHBondContact O-N 3.33Å; E197-Y201 HydrophobicContact CG-CE2 4.33Å; E197-Y201 WeakPolarHBondContact O-CD2 3.12Å; E197-Y201 WeakPolarHBondContact O-CE2 3.28Å; E197-K367 IonicContact OE1-NZ 3.47Å; E197-M469 HydrophobicContact CG-CE 4.29Å; E197-M469 HydrophobicContact CG-SD 3.9Å; E197-R473 IonicContact OE1-CZ 2.78Å; E197-R473 IonicContact OE1-NE 3.61Å; E197-R473 PolarHBondContact OE1-NE 3.04Å; E197-R473 IonicContact OE1-NH2 3.56Å; E197-R473 IonicContact OE2-CZ 3.33Å; E197-R473 VanDerWaalsContact OE2-CZ 3.27Å; E197-R473 IonicContact OE2-NE 2.82Å; E197-R473 PolarHBondContact OE2-NE 3.18Å; E197-R473 VanDerWaalsContact OE2-NE 3.07Å; E197-R473 IonicContact OE2-NH2 3.35Å; E197-R473 PolarHBondContact OE2-NH2 3.19Å
198	Q	98	Very high	97.5	Very high	28 Å²	28	54.3 Å²	54.3	13%	0.131	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-43.5	174.3	-64.8	-178.5	51.9	0	0	111.8	Y190 L191 N193 P194 V195 R200 Y201	Y190-Q198 HydrophobicContact CE1-CB 4.36Å; Y190-Q198 HydrophobicContact CE1-CG 3.91Å; L191-Q198 PolarHBondContact O-NE2 3.08Å; N193-Q198 HydrophobicContact CB-CG 4.19Å; N193-Q198 PolarHBondContact O-NE2 2.93Å; P194-Q198 WeakPolarHBondContact O-CG 3.45Å; P194-Q198 PolarHBondContact O-N 2.99Å; V195-Q198 PolarHBondContact O-N 2.78Å; Q198-R200 PolarHBondContact O-N 3.35Å; Q198-R200 VanDerWaalsContact O-N 3.09Å; Q198-Y201 PolarHBondContact O-N 3.36Å; Q198-Y201 VanDerWaalsContact O-O 3.13Å
199	A	97.6	Very high	97.6	Very high	84 Å²	84	54.1 Å²	54.1	69%	0.694	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.2	-178	0	0	0	0	0	114.5	V195 E197 Y201	V195-A199 WeakPolarHBondContact O-CB 3.17Å; V195-A199 PolarHBondContact O-N 2.82Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 3.32Å; A199-Y201 PolarHBondContact O-N 2.59Å
200	R	97.7	Very high	97.6	Very high	139 Å²	139	54.6 Å²	54.6	53%	0.525	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.6	174.3	-63	166.5	64.1	-159	-1.8	112.8	E196 E197 Q198 E476	E196-R200 WeakPolarHBondContact O-CG 3.42Å; E197-R200 WeakPolarHBondContact O-CB 3.14Å; E197-R200 PolarHBondContact O-N 3.33Å; Q198-R200 PolarHBondContact O-N 3.35Å; Q198-R200 VanDerWaalsContact O-N 3.09Å; R200-E476 IonicContact CZ-OE1 2.83Å; R200-E476 IonicContact CZ-OE2 3.66Å; R200-E476 VanDerWaalsContact CZ-OE2 3.27Å; R200-E476 IonicContact NH1-OE1 3.76Å; R200-E476 IonicContact NH1-OE2 3.88Å; R200-E476 PolarHBondContact NH1-OE2 2.83Å; R200-E476 IonicContact NH2-OE1 3.9Å; R200-E476 PolarHBondContact NH2-OE1 2.59Å; R200-E476 IonicContact NH2-OE2 2.89Å; R200-E476 PolarHBondContact NH2-OE2 2.89Å
201	Y	96.4	Very high	97.6	Very high	50 Å²	50	54.2 Å²	54.2	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	-123.6	139.6	-175.6	-46.4	-80	0	0	0	110.2	E197 Q198 A199 E203 M469 R472 E476	E197-Y201 HydrophobicContact CG-CE2 4.33Å; E197-Y201 WeakPolarHBondContact O-CD2 3.12Å; E197-Y201 WeakPolarHBondContact O-CE2 3.28Å; Q198-Y201 PolarHBondContact O-N 3.36Å; Q198-Y201 VanDerWaalsContact O-O 3.13Å; A199-Y201 PolarHBondContact O-N 2.59Å; Y201-E203 VanDerWaalsContact C-N 3.29Å; Y201-E203 PolarHBondContact O-N 2.86Å; Y201-M469 HydrophobicContact CD2-CE 3.89Å; Y201-M469 HydrophobicContact CD2-SD 4.45Å; Y201-M469 HydrophobicContact CE2-CE 3.78Å; Y201-M469 HydrophobicContact CE2-SD 3.77Å; Y201-R472 VanDerWaalsContact CB-NH1 3.28Å; Y201-R472 HydrophobicContact CE1-CB 4.43Å; Y201-R472 HydrophobicContact CE1-CG 4.03Å; Y201-R472 VanDerWaalsContact CG-CZ 3.48Å; Y201-E476 PolarHBondContact OH-OE1 2.89Å
202	G	92.3	Very high	97.6	Very high	85 Å²	85	49.8 Å²	49.8	88%	0.876	28%	0.277	S	S	*	.	S	Bend	trans	-71.2	-22.6	-178.7	0	0	0	0	0	114.2
203	E	94.4	Very high	97.6	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.411	26%	0.26	S	S	.	.	S	Bend	trans	-147.1	165	-177.3	-70	-167.4	-153.9	0	0	112.7	Y201 V205 K207 R472	Y201-E203 VanDerWaalsContact C-N 3.29Å; Y201-E203 PolarHBondContact O-N 2.86Å; E203-V205 VanDerWaalsContact C-N 3.28Å; E203-V205 PolarHBondContact O-N 3.46Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å; E203-K207 IonicContact OE1-NZ 3.14Å; E203-K207 PolarHBondContact OE1-NZ 3.39Å; E203-K207 WeakPolarHBondContact OE2-CE 3.39Å; E203-K207 IonicContact OE2-NZ 2.95Å; E203-K207 PolarHBondContact OE2-NZ 3.08Å; E203-R472 PolarHBondContact O-NH1 3.2Å; E203-R472 PolarHBondContact O-NH2 3.47Å
204	N	97.8	Very high	97.6	Very high	48 Å²	48	46.1 Å²	46.1	26%	0.257	26%	0.259	S	S	.	.	S	Bend	trans	-88.5	16.3	179.6	64.8	-0.4	0	0	0	114.1	N184 Y190 T468	N184-N204 HydrophobicContact CB-CB 4.31Å; N184-N204 PolarHBondContact ND2-O 3.32Å; Y190-N204 HydrophobicContact CD1-CB 3.51Å; Y190-N204 HydrophobicContact CD2-CB 3.85Å; Y190-N204 HydrophobicContact CE1-CB 3.55Å; Y190-N204 HydrophobicContact CE2-CB 3.87Å; Y190-N204 HydrophobicContact CG-CB 3.67Å; N204-T468 PolarHBondContact O-OG1 2.94Å
205	V	98.3	Very high	97.6	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	25%	0.249	C	C	.	.	S	Bend	trans	-132	152.2	169.8	-64.2	0	0	0	0	109.5	N184 E203 K207 V281 R472	N184-V205 HydrophobicContact CB-CG1 3.87Å; N184-V205 VanDerWaalsContact N-CG1 3.32Å; E203-V205 VanDerWaalsContact C-N 3.28Å; E203-V205 PolarHBondContact O-N 3.46Å; V205-K207 HydrophobicContact CG2-CG 4.43Å; V205-K207 PolarHBondContact O-N 2.83Å; V205-V281 HydrophobicContact CB-CG1 4.38Å; V205-V281 HydrophobicContact CG1-CG1 4.04Å; V205-V281 HydrophobicContact CG1-CG2 4.26Å; V205-R472 PolarHBondContact O-NH2 3.04Å
206	D	97.8	Very high	97.6	Very high	17 Å²	17	40.5 Å²	40.5	9%	0.091	22%	0.224	C	C	.	.			trans	-82.8	105	172.7	-85.1	-0.1	0	0	0	110.4	A229 N277 R472 R475	D206-A229 HydrophobicContact CB-CB 4.39Å; D206-N277 PolarHBondContact OD2-ND2 2.95Å; D206-N277 PolarHBondContact OD2-OD1 2.7Å; D206-R472 IonicContact OD1-CZ 2.8Å; D206-R472 VanDerWaalsContact OD1-CZ 3.29Å; D206-R472 IonicContact OD1-NE 3.54Å; D206-R472 PolarHBondContact OD1-NE 2.74Å; D206-R472 IonicContact OD1-NH2 3.55Å; D206-R472 PolarHBondContact OD1-NH2 2.89Å; D206-R475 IonicContact OD2-CZ 2.87Å; D206-R475 IonicContact OD2-NH1 3.43Å; D206-R475 PolarHBondContact OD2-NH1 3.27Å; D206-R475 VanDerWaalsContact OD2-NH1 3.14Å; D206-R475 IonicContact OD2-NH2 2.81Å; D206-R475 PolarHBondContact OD2-NH2 3.44Å
207	K	97.7	Very high	97.5	Very high	24 Å²	24	37.1 Å²	37.1	10%	0.104	21%	0.209	C	C	.	.			trans	-79.8	-22.1	179.5	-65	176.3	-177.1	-74.4	0	114.5	D177 L178 H179 E203 V205 M209 F228	D177-K207 WeakPolarHBondContact CA-O 3.41Å; D177-K207 HydrophobicContact CB-CB 3.93Å; D177-K207 HydrophobicContact CB-CD 4.33Å; L178-K207 PolarHBondContact N-O 3.5Å; H179-K207 PolarHBondContact ND1-NZ 3.06Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å; E203-K207 IonicContact OE1-NZ 3.14Å; E203-K207 PolarHBondContact OE1-NZ 3.39Å; E203-K207 WeakPolarHBondContact OE2-CE 3.39Å; E203-K207 IonicContact OE2-NZ 2.95Å; E203-K207 PolarHBondContact OE2-NZ 3.08Å; V205-K207 HydrophobicContact CG2-CG 4.43Å; V205-K207 PolarHBondContact O-N 2.83Å; K207-M209 PolarHBondContact O-N 2.76Å; K207-M209 VanDerWaalsContact O-N 3.11Å; K207-F228 WeakPolarHBondContact O-CE2 3.43Å
208	N	97.8	Very high	97.4	Very high	61 Å²	61	43.2 Å²	43.2	33%	0.326	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	115.5	-170.7	-174.5	7	0	0	0	109.6	G176	G176-N208 PolarHBondContact N-OD1 3.27Å
209	M	98.7	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.6	168.7	178.6	177.7	-71.5	0	0	108.6	E175 G176 L178 K207 N226 W227 F228 Q331 K334 A335 L338	E175-M209 CarbonylContact C-O 3.59Å; E175-M209 WeakPolarHBondContact CA-O 3.48Å; G176-M209 PolarHBondContact N-O 2.91Å; G176-M209 WeakPolarHBondContact O-CB 3.4Å; G176-M209 PolarHBondContact O-N 3.3Å; L178-M209 HydrophobicContact CB-CE 4.5Å; L178-M209 HydrophobicContact CD2-CE 3.56Å; K207-M209 PolarHBondContact O-N 2.76Å; K207-M209 VanDerWaalsContact O-N 3.11Å; M209-N226 HydrophobicContact CG-CB 4.43Å; M209-N226 WeakPolarHBondContact CG-ND2 3.38Å; M209-W227 WeakPolarHBondContact CA-O 3.4Å; M209-F228 HydrophobicContact CB-CB 4.41Å; M209-F228 HydrophobicContact CB-CD2 4.2Å; M209-F228 HydrophobicContact CE-CB 3.86Å; M209-F228 HydrophobicContact CE-CD1 4.32Å; M209-F228 HydrophobicContact CE-CD2 4.43Å; M209-F228 HydrophobicContact CE-CG 3.95Å; M209-F228 HydrophobicContact CG-CB 4.31Å; M209-Q331 HydrophobicContact CE-CB 4.25Å; M209-Q331 HydrophobicContact CE-CG 4.35Å; M209-K334 HydrophobicContact CB-CG 4.36Å; M209-K334 HydrophobicContact CE-CB 4.25Å; M209-K334 HydrophobicContact CE-CG 4.29Å; M209-K334 HydrophobicContact SD-CB 3.93Å; M209-K334 HydrophobicContact SD-CG 3.65Å; M209-A335 HydrophobicContact SD-CB 3.98Å; M209-L338 HydrophobicContact CB-CD1 4.06Å; M209-L338 HydrophobicContact CG-CD1 3.79Å; M209-L338 WeakPolarHBondContact O-CD1 3.31Å; M209-L338 HydrophobicContact SD-CD1 4.02Å
210	I	98.7	Very high	97.2	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	177	-56.7	171.3	0	0	0	108.5	E175 N226 W227 I500	E175-I210 HydrophobicContact CB-CB 4.49Å; E175-I210 HydrophobicContact CB-CG1 4.07Å; I210-N226 CarbonylContact O-C 3.38Å; I210-N226 WeakPolarHBondContact O-CA 3.43Å; I210-W227 PolarHBondContact N-O 3.11Å; I210-W227 VanDerWaalsContact N-O 3.08Å; I210-W227 PolarHBondContact O-N 2.84Å; I210-I500 HydrophobicContact CD1-CG1 4.03Å; I210-I500 HydrophobicContact CG2-CD1 3.73Å; I210-I500 HydrophobicContact CG2-CG1 3.99Å
211	L	98.8	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.9	-179.6	-178.1	145.5	0	0	0	110.8	K173 A174 K213 M224 I225 N226 A335 L338 F339	K173-L211 WeakPolarHBondContact CA-O 3.47Å; A174-L211 PolarHBondContact N-O 2.83Å; A174-L211 PolarHBondContact O-N 2.82Å; L211-K213 HydrophobicContact CD2-CB 3.81Å; L211-M224 HydrophobicContact CD1-CE 3.93Å; L211-M224 HydrophobicContact CD1-SD 4.44Å; L211-I225 WeakPolarHBondContact CA-O 3.25Å; L211-N226 HydrophobicContact CB-CB 4.35Å; L211-N226 HydrophobicContact CD1-CB 4.34Å; L211-N226 HydrophobicContact CG-CB 4.49Å; L211-A335 HydrophobicContact CD1-CB 4.14Å; L211-A335 WeakPolarHBondContact CD1-O 3.46Å; L211-L338 HydrophobicContact CB-CB 4.14Å; L211-L338 HydrophobicContact CB-CD1 4.28Å; L211-L338 HydrophobicContact CD1-CB 4.25Å; L211-F339 HydrophobicContact CD1-CB 4.03Å; L211-F339 HydrophobicContact CD2-CB 4.27Å; L211-F339 HydrophobicContact CD2-CD2 4.38Å
212	L	98.8	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.1	164.7	-60.9	-176.5	0	0	0	109.1	I171 L172 K173 F214 M224 I225 W227 L457 I459 I500	I171-L212 HydrophobicContact CG2-CB 4.31Å; I171-L212 HydrophobicContact CG2-CD2 4.31Å; L172-L212 CarbonylContact O-C 3.53Å; L172-L212 WeakPolarHBondContact O-CA 3.42Å; K173-L212 HydrophobicContact CB-CD2 3.98Å; K173-L212 HydrophobicContact CG-CD2 4.16Å; L212-F214 HydrophobicContact CB-CE2 4.27Å; L212-F214 HydrophobicContact CB-CZ 4.15Å; L212-M224 CarbonylContact O-C 3.54Å; L212-M224 WeakPolarHBondContact O-CA 3.5Å; L212-M224 WeakPolarHBondContact O-CB 3.35Å; L212-I225 PolarHBondContact N-O 3.21Å; L212-I225 PolarHBondContact O-N 2.89Å; L212-W227 HydrophobicContact CB-CZ3 4.26Å; L212-W227 HydrophobicContact CD1-CH2 3.93Å; L212-W227 HydrophobicContact CD1-CZ3 3.82Å; L212-W227 HydrophobicContact CG-CH2 4.43Å; L212-W227 HydrophobicContact CG-CZ3 3.82Å; L212-L457 HydrophobicContact CD1-CD2 3.9Å; L212-L457 HydrophobicContact CD2-CD2 3.72Å; L212-L457 HydrophobicContact CG-CD2 4.41Å; L212-I459 HydrophobicContact CD1-CD1 4.42Å; L212-I500 HydrophobicContact CD1-CD1 4.29Å; L212-I500 HydrophobicContact CD2-CD1 4.49Å; L212-I500 HydrophobicContact CG-CD1 4.34Å
213	K	98.8	Very high	97.6	Very high	26 Å²	26	36.3 Å²	36.3	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.7	177.2	170.1	176.8	-173.8	177.6	0	109	I171 L172 L211 V215 F339 A342	I171-K213 WeakPolarHBondContact CA-O 3.5Å; L172-K213 HydrophobicContact CB-CB 4.26Å; L172-K213 HydrophobicContact CD1-CD 4.33Å; L172-K213 PolarHBondContact N-O 2.86Å; L172-K213 PolarHBondContact O-N 2.76Å; L211-K213 HydrophobicContact CD2-CB 3.81Å; K213-V215 HydrophobicContact CD-CG1 4.25Å; K213-V215 HydrophobicContact CG-CG1 3.95Å; K213-F339 HydrophobicContact CB-CD2 4.04Å; K213-F339 HydrophobicContact CB-CE2 4.26Å; K213-F339 HydrophobicContact CD-CD2 3.73Å; K213-F339 HydrophobicContact CD-CE2 3.76Å; K213-F339 HydrophobicContact CD-CG 4.15Å; K213-F339 HydrophobicContact CD-CZ 4.2Å; K213-F339 WeakPolarHBondContact CD-O 3.37Å; K213-F339 HydrophobicContact CG-CD2 3.77Å; K213-F339 HydrophobicContact CG-CE2 3.58Å; K213-F339 HydrophobicContact CG-CZ 4.35Å; K213-F339 PolarHBondContact NZ-O 2.98Å; K213-A342 HydrophobicContact CB-CB 4.32Å; K213-A342 HydrophobicContact CD-CB 4.08Å
214	F	98.7	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.7	177.9	-56.5	-84.1	0	0	0	109.2	I31 F69 I71 I171 L212 I222 G223 I225	I31-F214 HydrophobicContact CD1-CD1 4.24Å; I31-F214 HydrophobicContact CG2-CB 4.08Å; I31-F214 HydrophobicContact CG2-CD1 3.61Å; I31-F214 HydrophobicContact CG2-CE1 4.42Å; I31-F214 HydrophobicContact CG2-CG 4.09Å; F69-F214 AromaticContact CD1-CD2 3.85Å; F69-F214 HydrophobicContact CD1-CD2 3.85Å; F69-F214 AromaticContact CD1-CE2 3.57Å; F69-F214 HydrophobicContact CD1-CE2 3.57Å; F69-F214 HydrophobicContact CD1-CZ 4.16Å; F69-F214 HydrophobicContact CE1-CD2 4.07Å; F69-F214 AromaticContact CE1-CE2 3.95Å; F69-F214 HydrophobicContact CE1-CE2 3.95Å; F69-F214 HydrophobicContact CG-CE2 4.37Å; I71-F214 HydrophobicContact CD1-CE1 3.88Å; I71-F214 HydrophobicContact CD1-CZ 4.33Å; I71-F214 HydrophobicContact CG1-CE1 4Å; I171-F214 HydrophobicContact CD1-CD1 4.25Å; I171-F214 HydrophobicContact CD1-CE1 3.94Å; I171-F214 HydrophobicContact CG1-CD1 3.86Å; I171-F214 HydrophobicContact CG1-CE1 3.98Å; I171-F214 HydrophobicContact CG2-CD1 4.44Å; I171-F214 HydrophobicContact CG2-CE1 4.18Å; L212-F214 HydrophobicContact CB-CE2 4.27Å; L212-F214 HydrophobicContact CB-CZ 4.15Å; F214-I222 HydrophobicContact CB-CD1 4.25Å; F214-I222 HydrophobicContact CB-CG1 3.75Å; F214-I222 WeakPolarHBondContact O-CG1 3.46Å; F214-I222 PolarHBondContact O-N 2.81Å; F214-G223 PolarHBondContact N-O 2.95Å; F214-G223 PolarHBondContact O-N 2.99Å; F214-I225 HydrophobicContact CE2-CD1 4.02Å; F214-I225 HydrophobicContact CE2-CG1 3.95Å; F214-I225 HydrophobicContact CZ-CD1 4Å; F214-I225 HydrophobicContact CZ-CG1 4.43Å
215	V	98.3	Very high	97.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.4	178	-60.7	0	0	0	0	110.6	G169 K170 L172 K213 T220 P221	G169-V215 CarbonylContact C-O 3.5Å; G169-V215 WeakPolarHBondContact CA-O 3.35Å; K170-V215 HydrophobicContact CB-CG2 3.9Å; K170-V215 PolarHBondContact N-O 3.02Å; K170-V215 PolarHBondContact O-N 3.46Å; L172-V215 HydrophobicContact CD1-CG1 4.42Å; L172-V215 HydrophobicContact CD1-CG2 4.36Å; L172-V215 HydrophobicContact CG-CG2 4.47Å; K213-V215 HydrophobicContact CD-CG1 4.25Å; K213-V215 HydrophobicContact CG-CG1 3.95Å; V215-T220 CarbonylContact C-O 2.98Å; V215-T220 VanDerWaalsContact CA-O 3.31Å; V215-T220 WeakPolarHBondContact CA-O 3.28Å; V215-P221 HydrophobicContact CG1-CB 4.47Å
216	T	97.4	Very high	97.8	Very high	22 Å²	22	29.6 Å²	29.6	14%	0.135	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	170.7	165.9	64.5	0	0	0	0	111.1	E168 N218 N219 T220 I222	E168-T216 WeakPolarHBondContact O-CA 3.43Å; T216-N218 PolarHBondContact O-N 3.06Å; T216-N218 VanDerWaalsContact O-N 3.11Å; T216-N218 PolarHBondContact OG1-N 3.49Å; T216-N219 WeakPolarHBondContact O-CA 3.35Å; T216-N219 PolarHBondContact O-N 3.18Å; T216-T220 PolarHBondContact N-O 2.97Å; T216-T220 WeakPolarHBondContact OG1-CB 3.27Å; T216-T220 PolarHBondContact OG1-N 3.12Å; T216-T220 PolarHBondContact OG1-O 3.18Å; T216-I222 HydrophobicContact CG2-CG2 3.72Å
217	M	95.4	Very high	97.9	Very high	69 Å²	69	29 Å²	29	34%	0.34	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.6	173.2	-67.1	-54.8	-76	0	0	113.8	N27 E168 K170 N219	N27-M217 WeakPolarHBondContact O-CE 3.11Å; E168-M217 HydrophobicContact CB-CG 3.81Å; E168-M217 PolarHBondContact O-N 3.29Å; E168-M217 VanDerWaalsContact O-N 3.17Å; K170-M217 HydrophobicContact CG-SD 4.19Å; M217-N219 PolarHBondContact O-N 2.77Å
218	N	95.1	Very high	97.9	Very high	143 Å²	143	27.9 Å²	27.9	77%	0.765	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	13.4	175.2	-65.6	-18.8	0	0	0	113.4	T216 T220	T216-N218 PolarHBondContact O-N 3.06Å; T216-N218 VanDerWaalsContact O-N 3.11Å; T216-N218 PolarHBondContact OG1-N 3.49Å; N218-T220 PolarHBondContact O-N 2.8Å
219	N	94.6	Very high	98	Very high	98 Å²	98	25 Å²	25	52%	0.524	14%	0.137	S	C	.	.			trans	61.3	16	-176.6	-56.8	-40.7	0	0	0	114.9	K170 T216 M217 P221	K170-N219 PolarHBondContact NZ-OD1 3.07Å; T216-N219 WeakPolarHBondContact O-CA 3.35Å; T216-N219 PolarHBondContact O-N 3.18Å; M217-N219 PolarHBondContact O-N 2.77Å; N219-P221 WeakPolarHBondContact O-CD 3.32Å
220	T	97	Very high	98	Very high	81 Å²	81	25 Å²	25	50%	0.497	14%	0.137	S	C	.	.			trans	-71.2	121.9	170.2	-51.4	0	0	0	0	109.3	V215 T216 N218	V215-T220 CarbonylContact C-O 2.98Å; V215-T220 VanDerWaalsContact CA-O 3.31Å; V215-T220 WeakPolarHBondContact CA-O 3.28Å; T216-T220 PolarHBondContact N-O 2.97Å; T216-T220 WeakPolarHBondContact OG1-CB 3.27Å; T216-T220 PolarHBondContact OG1-N 3.12Å; T216-T220 PolarHBondContact OG1-O 3.18Å; N218-T220 PolarHBondContact O-N 2.8Å
221	P	98	Very high	98	Very high	40 Å²	40	24.2 Å²	24.2	26%	0.26	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.2	178.4	-15.6	29.6	0	0	0	112.3	V215 N219 M258 F269 F339	V215-P221 HydrophobicContact CG1-CB 4.47Å; N219-P221 WeakPolarHBondContact O-CD 3.32Å; P221-M258 HydrophobicContact CB-CE 3.96Å; P221-M258 HydrophobicContact CG-CE 4.22Å; P221-F269 HydrophobicContact CB-CD2 4.32Å; P221-F269 HydrophobicContact CB-CE2 3.83Å; P221-F339 HydrophobicContact CB-CE1 4.41Å; P221-F339 HydrophobicContact CB-CE2 4.23Å; P221-F339 HydrophobicContact CB-CZ 3.5Å; P221-F339 HydrophobicContact CG-CE1 4.31Å; P221-F339 HydrophobicContact CG-CZ 3.86Å
222	I	98.3	Very high	98	Very high	22 Å²	22	24.2 Å²	24.2	11%	0.113	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-23.3	177.8	60.6	172.5	0	0	0	112.4	I31 V33 F214 T216 F269 V270	I31-I222 HydrophobicContact CB-CD1 4.13Å; I31-I222 HydrophobicContact CG2-CD1 3.86Å; V33-I222 HydrophobicContact CG1-CD1 4.37Å; V33-I222 HydrophobicContact CG1-CG1 4.34Å; V33-I222 HydrophobicContact CG2-CB 4.3Å; V33-I222 WeakPolarHBondContact CG2-O 3.26Å; F214-I222 HydrophobicContact CB-CD1 4.25Å; F214-I222 HydrophobicContact CB-CG1 3.75Å; F214-I222 WeakPolarHBondContact O-CG1 3.46Å; F214-I222 PolarHBondContact O-N 2.81Å; T216-I222 HydrophobicContact CG2-CG2 3.72Å; I222-F269 VanDerWaalsContact C-CD2 3.4Å; I222-F269 WeakPolarHBondContact O-CA 3.09Å; I222-V270 PolarHBondContact O-N 3.31Å
223	G	98.7	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	179.5	173.9	0	0	0	0	0	113.1	F214 F269 V270	F214-G223 PolarHBondContact N-O 2.95Å; F214-G223 PolarHBondContact O-N 2.99Å; G223-F269 VanDerWaalsContact N-CE2 3.29Å; G223-V270 CarbonylContact C-O 3.54Å; G223-V270 WeakPolarHBondContact CA-O 3.44Å
224	M	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.7	170.4	66.2	79.7	127.6	0	0	111.7	F69 L211 L212 N226 F254 F269 V270 A271 A272 F273 A335 F339	F69-M224 WeakPolarHBondContact CE1-O 3.45Å; F69-M224 WeakPolarHBondContact CZ-O 3.33Å; L211-M224 HydrophobicContact CD1-CE 3.93Å; L211-M224 HydrophobicContact CD1-SD 4.44Å; L212-M224 CarbonylContact O-C 3.54Å; L212-M224 WeakPolarHBondContact O-CA 3.5Å; L212-M224 WeakPolarHBondContact O-CB 3.35Å; M224-N226 HydrophobicContact CE-CB 4.46Å; M224-F254 HydrophobicContact CE-CD1 4.39Å; M224-F254 HydrophobicContact CE-CD2 3.35Å; M224-F254 HydrophobicContact CE-CE1 4.39Å; M224-F254 HydrophobicContact CE-CE2 3.32Å; M224-F254 HydrophobicContact CE-CG 3.91Å; M224-F254 HydrophobicContact CE-CZ 3.88Å; M224-F254 HydrophobicContact CG-CD1 4.41Å; M224-F254 HydrophobicContact CG-CE1 4.08Å; M224-F254 HydrophobicContact CG-CZ 4.14Å; M224-F269 HydrophobicContact CB-CZ 4.31Å; M224-F269 HydrophobicContact CG-CE1 4.15Å; M224-F269 HydrophobicContact CG-CZ 3.99Å; M224-V270 PolarHBondContact N-O 3.32Å; M224-A271 HydrophobicContact CE-CB 4.42Å; M224-A271 HydrophobicContact CG-CB 4.02Å; M224-A271 WeakPolarHBondContact O-CA 3.5Å; M224-A271 HydrophobicContact SD-CB 3.98Å; M224-A272 PolarHBondContact O-N 3.08Å; M224-F273 HydrophobicContact CE-CD2 4.47Å; M224-F273 HydrophobicContact CE-CE2 3.64Å; M224-F273 HydrophobicContact CE-CZ 3.77Å; M224-F273 HydrophobicContact SD-CE2 4.48Å; M224-A335 HydrophobicContact CE-CB 3.78Å; M224-F339 HydrophobicContact CB-CD2 4.07Å; M224-F339 HydrophobicContact CB-CE2 4.23Å; M224-F339 HydrophobicContact CG-CD2 4.39Å
225	I	98.9	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133	161.5	-52.5	159.7	0	0	0	107.1	F69 I82 I84 L211 L212 F214 W227 A272 A274	F69-I225 HydrophobicContact CB-CD1 4.06Å; F69-I225 HydrophobicContact CD1-CD1 4.07Å; F69-I225 HydrophobicContact CD1-CG1 3.89Å; F69-I225 HydrophobicContact CD2-CD1 3.54Å; F69-I225 HydrophobicContact CD2-CG1 3.55Å; F69-I225 HydrophobicContact CE1-CD1 4.44Å; F69-I225 HydrophobicContact CE1-CG1 3.76Å; F69-I225 HydrophobicContact CE2-CD1 3.97Å; F69-I225 HydrophobicContact CE2-CG1 3.41Å; F69-I225 VanDerWaalsContact CE2-CG1 3.41Å; F69-I225 HydrophobicContact CG-CD1 3.61Å; F69-I225 HydrophobicContact CG-CG1 3.81Å; F69-I225 HydrophobicContact CZ-CD1 4.4Å; F69-I225 HydrophobicContact CZ-CG1 3.52Å; I82-I225 HydrophobicContact CB-CD1 4.34Å; I82-I225 HydrophobicContact CD1-CD1 4.43Å; I82-I225 HydrophobicContact CG2-CD1 4.04Å; I84-I225 HydrophobicContact CG1-CG2 4.3Å; L211-I225 WeakPolarHBondContact CA-O 3.25Å; L212-I225 PolarHBondContact N-O 3.21Å; L212-I225 PolarHBondContact O-N 2.89Å; F214-I225 HydrophobicContact CE2-CD1 4.02Å; F214-I225 HydrophobicContact CE2-CG1 3.95Å; F214-I225 HydrophobicContact CZ-CD1 4Å; F214-I225 HydrophobicContact CZ-CG1 4.43Å; I225-W227 HydrophobicContact CB-CE3 4.28Å; I225-W227 HydrophobicContact CB-CH2 3.54Å; I225-W227 HydrophobicContact CB-CZ2 4.27Å; I225-W227 HydrophobicContact CB-CZ3 3.53Å; I225-W227 HydrophobicContact CD1-CH2 3.72Å; I225-W227 HydrophobicContact CD1-CZ2 4.3Å; I225-W227 HydrophobicContact CG1-CH2 4.25Å; I225-W227 HydrophobicContact CG2-CD2 4.02Å; I225-W227 HydrophobicContact CG2-CE3 3.79Å; I225-W227 HydrophobicContact CG2-CH2 3.29Å; I225-W227 HydrophobicContact CG2-CZ2 3.53Å; I225-W227 HydrophobicContact CG2-CZ3 3.41Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.41Å; I225-A272 CarbonylContact C-O 3.46Å; I225-A272 WeakPolarHBondContact CA-O 3.32Å; I225-A272 HydrophobicContact CG1-CB 4.3Å; I225-A272 HydrophobicContact CG2-CB 4.24Å; I225-A274 HydrophobicContact CG2-CB 4.21Å
226	N	98.3	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	148	166	102	-81.9	0	0	0	111	M209 I210 L211 M224 A272 F273 A274	M209-N226 HydrophobicContact CG-CB 4.43Å; M209-N226 WeakPolarHBondContact CG-ND2 3.38Å; I210-N226 CarbonylContact O-C 3.38Å; I210-N226 WeakPolarHBondContact O-CA 3.43Å; L211-N226 HydrophobicContact CB-CB 4.35Å; L211-N226 HydrophobicContact CD1-CB 4.34Å; L211-N226 HydrophobicContact CG-CB 4.49Å; M224-N226 HydrophobicContact CE-CB 4.46Å; N226-A272 PolarHBondContact N-O 3.04Å; N226-F273 VanDerWaalsContact OD1-CA 3.23Å; N226-F273 WeakPolarHBondContact OD1-CA 3.4Å; N226-F273 WeakPolarHBondContact OD1-CB 3.42Å; N226-F273 WeakPolarHBondContact OD1-CD1 3.34Å; N226-F273 VanDerWaalsContact OD1-CE1 3.25Å; N226-F273 WeakPolarHBondContact OD1-CE1 3.17Å; N226-F273 WeakPolarHBondContact OD1-CG 3.38Å; N226-A274 WeakPolarHBondContact O-CB 3.31Å; N226-A274 PolarHBondContact O-N 3.23Å
227	W	98.9	Very high	97.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.2	172.1	-71.4	-100.9	0	0	0	109.5	M209 I210 L212 I225 A274 Q275 I459 I500 S502	M209-W227 WeakPolarHBondContact CA-O 3.4Å; I210-W227 PolarHBondContact N-O 3.11Å; I210-W227 VanDerWaalsContact N-O 3.08Å; I210-W227 PolarHBondContact O-N 2.84Å; L212-W227 HydrophobicContact CB-CZ3 4.26Å; L212-W227 HydrophobicContact CD1-CH2 3.93Å; L212-W227 HydrophobicContact CD1-CZ3 3.82Å; L212-W227 HydrophobicContact CG-CH2 4.43Å; L212-W227 HydrophobicContact CG-CZ3 3.82Å; I225-W227 HydrophobicContact CB-CE3 4.28Å; I225-W227 HydrophobicContact CB-CH2 3.54Å; I225-W227 HydrophobicContact CB-CZ2 4.27Å; I225-W227 HydrophobicContact CB-CZ3 3.53Å; I225-W227 HydrophobicContact CD1-CH2 3.72Å; I225-W227 HydrophobicContact CD1-CZ2 4.3Å; I225-W227 HydrophobicContact CG1-CH2 4.25Å; I225-W227 HydrophobicContact CG2-CD2 4.02Å; I225-W227 HydrophobicContact CG2-CE3 3.79Å; I225-W227 HydrophobicContact CG2-CH2 3.29Å; I225-W227 HydrophobicContact CG2-CZ2 3.53Å; I225-W227 HydrophobicContact CG2-CZ3 3.41Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.41Å; W227-A274 HydrophobicContact CD2-CB 4.21Å; W227-A274 HydrophobicContact CG-CB 3.96Å; W227-Q275 VanDerWaalsContact CD1-O 3.28Å; W227-I459 HydrophobicContact CH2-CD1 4.26Å; W227-I459 HydrophobicContact CZ2-CD1 4.34Å; W227-I459 HydrophobicContact CZ2-CG2 4.39Å; W227-I500 HydrophobicContact CB-CG2 4.07Å; W227-I500 HydrophobicContact CD2-CG2 3.43Å; W227-I500 VanDerWaalsContact CD2-CG2 3.43Å; W227-I500 HydrophobicContact CE3-CD1 4.18Å; W227-I500 HydrophobicContact CE3-CG2 3.96Å; W227-I500 HydrophobicContact CG-CG2 3.46Å; W227-I500 VanDerWaalsContact CG-CG2 3.46Å; W227-I500 HydrophobicContact CZ2-CG2 4.3Å; W227-I500 HydrophobicContact CZ3-CD1 4.19Å; W227-S502 PolarHBondContact NE1-OG 3.17Å
228	F	98.9	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.			trans	-156.3	131.5	175.9	178	-113.3	0	0	0	110	L178 A181 K207 M209 V230 K247 A274 Q275 Q331	L178-F228 HydrophobicContact CB-CD2 4.36Å; L178-F228 HydrophobicContact CB-CE2 3.82Å; L178-F228 HydrophobicContact CB-CZ 4.04Å; L178-F228 HydrophobicContact CD2-CD1 4.08Å; L178-F228 HydrophobicContact CD2-CE1 3.74Å; L178-F228 HydrophobicContact CD2-CE2 4.26Å; L178-F228 HydrophobicContact CD2-CG 4.48Å; L178-F228 HydrophobicContact CD2-CZ 3.85Å; L178-F228 HydrophobicContact CG-CE1 4.41Å; L178-F228 HydrophobicContact CG-CE2 4.33Å; L178-F228 HydrophobicContact CG-CZ 4.03Å; A181-F228 HydrophobicContact CB-CE1 4.07Å; A181-F228 HydrophobicContact CB-CZ 4.21Å; K207-F228 WeakPolarHBondContact O-CE2 3.43Å; M209-F228 HydrophobicContact CB-CB 4.41Å; M209-F228 HydrophobicContact CB-CD2 4.2Å; M209-F228 HydrophobicContact CE-CB 3.86Å; M209-F228 HydrophobicContact CE-CD1 4.32Å; M209-F228 HydrophobicContact CE-CD2 4.43Å; M209-F228 HydrophobicContact CE-CG 3.95Å; M209-F228 HydrophobicContact CG-CB 4.31Å; F228-V230 HydrophobicContact CD1-CB 4.19Å; F228-V230 HydrophobicContact CD1-CG1 3.58Å; F228-V230 HydrophobicContact CE1-CB 3.86Å; F228-V230 HydrophobicContact CE1-CG1 3.61Å; F228-V230 PolarHBondContact O-N 3.01Å; F228-K247 PolarHBondContact O-NZ 3.5Å; F228-A274 PolarHBondContact N-O 3.24Å; F228-Q275 PolarHBondContact O-OE1 2.68Å; F228-Q331 HydrophobicContact CD1-CG 4.15Å; F228-Q331 HydrophobicContact CE1-CG 4.46Å
229	A	98.8	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.12	C	C	.	.			trans	-79.9	105.3	-177.1	0	0	0	0	0	111.2	D206 A276 E278 V281	D206-A229 HydrophobicContact CB-CB 4.39Å; A229-A276 HydrophobicContact CB-CB 4.14Å; A229-E278 HydrophobicContact CB-CB 4.18Å; A229-V281 VanDerWaalsContact O-CG1 3.28Å; A229-V281 WeakPolarHBondContact O-CG1 3.29Å
230	V	98.8	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-164.7	128.9	168.3	63.4	0	0	0	0	110.2	F228 K247 Q275 V281 P283	F228-V230 HydrophobicContact CD1-CB 4.19Å; F228-V230 HydrophobicContact CD1-CG1 3.58Å; F228-V230 HydrophobicContact CE1-CB 3.86Å; F228-V230 HydrophobicContact CE1-CG1 3.61Å; F228-V230 PolarHBondContact O-N 3.01Å; V230-K247 WeakPolarHBondContact O-CE 3.37Å; V230-Q275 PolarHBondContact O-NE2 2.73Å; V230-Q275 PolarHBondContact O-OE1 3.07Å; V230-Q275 VanDerWaalsContact O-OE1 3.12Å; V230-V281 HydrophobicContact CB-CG1 4.42Å; V230-P283 HydrophobicContact CG2-CB 3.72Å; V230-P283 HydrophobicContact CG2-CG 4.49Å
231	H	98.7	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.			trans	-54.7	141	174.9	-87.4	70.3	0	0	0	112.2	H122 R185 V233 N246 E278 V281 P283 Y511	H122-H231 AromaticContact CD2-CD2 3.23Å; H122-H231 PolarHBondContact CD2-CD2 2.61Å; H122-H231 AromaticContact CD2-CE1 3.98Å; H122-H231 AromaticContact CD2-NE2 3.17Å; H122-H231 PolarHBondContact CD2-NE2 3.16Å; H122-H231 AromaticContact NE2-CD2 3.36Å; H122-H231 PolarHBondContact NE2-CD2 2.76Å; H122-H231 AromaticContact NE2-NE2 2.99Å; H122-H231 PolarHBondContact NE2-NE2 2.94Å; R185-H231 PolarHBondContact NH2-CE1 3.12Å; H231-V233 VanDerWaalsContact C-N 3.28Å; H231-V233 HydrophobicContact CB-CB 4.31Å; H231-V233 HydrophobicContact CB-CG1 3.99Å; H231-V233 HydrophobicContact CB-CG2 3.52Å; H231-V233 PolarHBondContact O-N 3.34Å; H231-N246 PolarHBondContact O-ND2 3.04Å; H231-N246 VanDerWaalsContact O-ND2 3.16Å; H231-E278 PolarHBondContact CE1-O 2.86Å; H231-E278 PolarHBondContact ND1-O 3.32Å; H231-V281 WeakPolarHBondContact CB-O 3.24Å; H231-V281 PolarHBondContact N-O 3.06Å; H231-V281 PolarHBondContact ND1-O 2.79Å; H231-V281 VanDerWaalsContact ND1-O 3.11Å; H231-P283 WeakPolarHBondContact O-CD 3.37Å; H231-P283 VanDerWaalsContact O-CG 3.26Å; H231-P283 WeakPolarHBondContact O-CG 3.35Å; H231-Y511 PolarHBondContact NE2-OH 3.14Å
232	A	98.8	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-89.8	67.2	171.1	0	0	0	0	0	109.9	T121 T123 H124 D245	T121-A232 WeakPolarHBondContact O-CB 3.42Å; T123-A232 WeakPolarHBondContact CA-O 3.47Å; H124-A232 PolarHBondContact N-O 3.38Å; H124-A232 VanDerWaalsContact N-O 3.14Å; A232-D245 WeakPolarHBondContact CA-OD1 3.37Å; A232-D245 HydrophobicContact CB-CB 3.98Å
233	V	98.8	Very high	98.3	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.069	C	C	.	.			trans	-130.3	25.6	-174.8	-63.6	0	0	0	0	112.3	Y50 H124 H231 M235 D245 P283 D388	Y50-V233 HydrophobicContact CE1-CG1 4.42Å; Y50-V233 WeakPolarHBondContact OH-CA 3.41Å; Y50-V233 VanDerWaalsContact OH-CB 3.28Å; Y50-V233 WeakPolarHBondContact OH-CB 3.21Å; Y50-V233 PolarHBondContact OH-O 2.88Å; H124-V233 HydrophobicContact CB-CG1 4.07Å; H124-V233 VanDerWaalsContact CG-CG1 3.47Å; H231-V233 VanDerWaalsContact C-N 3.28Å; H231-V233 HydrophobicContact CB-CB 4.31Å; H231-V233 HydrophobicContact CB-CG1 3.99Å; H231-V233 HydrophobicContact CB-CG2 3.52Å; H231-V233 PolarHBondContact O-N 3.34Å; V233-M235 VanDerWaalsContact C-N 3.27Å; V233-D245 PolarHBondContact N-OD1 3.02Å; V233-P283 HydrophobicContact CG2-CG 3.57Å; V233-D388 HydrophobicContact CB-CB 4.44Å; V233-D388 HydrophobicContact CG2-CB 3.89Å
234	S	98.8	Very high	98.3	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.021	7%	0.069	C	C	.	.	S	Bend	trans	-67.8	-34.1	173.5	-66.7	0	0	0	0	110.9	N236 D245 N246 P283 T324	S234-N236 PolarHBondContact O-N 3.07Å; S234-D245 PolarHBondContact N-OD1 3.29Å; S234-D245 VanDerWaalsContact N-OD1 3.09Å; S234-D245 PolarHBondContact N-OD2 2.99Å; S234-N246 PolarHBondContact OG-ND2 2.87Å; S234-P283 WeakPolarHBondContact OG-CB 3.15Å; S234-T324 WeakPolarHBondContact CB-OG1 3.49Å
235	M	98.6	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-79.8	91.3	166	-59.1	-62.9	-65.6	0	0	109.5	Y50 S125 V233 N239 D245 M320 F321 T324	Y50-M235 WeakPolarHBondContact CE2-O 3.36Å; Y50-M235 PolarHBondContact OH-O 3.15Å; S125-M235 WeakPolarHBondContact OG-CB 3.38Å; V233-M235 VanDerWaalsContact C-N 3.27Å; M235-N239 HydrophobicContact CB-CB 4.4Å; M235-N239 HydrophobicContact CE-CB 4.2Å; M235-D245 WeakPolarHBondContact CA-OD2 3.2Å; M235-D245 WeakPolarHBondContact CB-OD2 3.23Å; M235-D245 VanDerWaalsContact CG-OD2 3.29Å; M235-D245 WeakPolarHBondContact CG-OD2 3.15Å; M235-D245 PolarHBondContact N-OD2 2.83Å; M235-M320 HydrophobicContact CB-CE 4.17Å; M235-M320 HydrophobicContact CE-CE 4.09Å; M235-M320 HydrophobicContact CE-CG 4.04Å; M235-M320 HydrophobicContact CE-SD 4.18Å; M235-M320 HydrophobicContact SD-CB 4.44Å; M235-M320 HydrophobicContact SD-CE 4.47Å; M235-M320 HydrophobicContact SD-CG 4.03Å; M235-F321 HydrophobicContact CE-CD1 3.92Å; M235-F321 HydrophobicContact CE-CE1 3.56Å; M235-F321 HydrophobicContact CE-CE2 4.45Å; M235-F321 HydrophobicContact CE-CZ 3.84Å; M235-F321 HydrophobicContact SD-CD1 4.19Å; M235-F321 HydrophobicContact SD-CE1 4.42Å; M235-T324 HydrophobicContact CG-CG2 4.42Å; M235-T324 WeakPolarHBondContact CG-OG1 3.33Å; M235-T324 PolarHBondContact SD-OG1 3.37Å
236	N	97.1	Very high	98.3	Very high	50 Å²	50	12.5 Å²	12.5	27%	0.267	7%	0.069	S	C	.	.			trans	-58	173.3	179.5	78.2	28.8	0	0	0	115	Y50 S234 T238 N239 M320	Y50-N236 VanDerWaalsContact OH-CA 3.29Å; Y50-N236 WeakPolarHBondContact OH-CA 3.41Å; S234-N236 PolarHBondContact O-N 3.07Å; N236-T238 PolarHBondContact O-N 2.83Å; N236-T238 PolarHBondContact OD1-N 3.43Å; N236-T238 PolarHBondContact OD1-OG1 2.87Å; N236-N239 VanDerWaalsContact O-CB 3.23Å; N236-N239 WeakPolarHBondContact O-CB 3.38Å; N236-N239 PolarHBondContact O-N 2.83Å; N236-M320 HydrophobicContact CB-CE 4.12Å; N236-M320 WeakPolarHBondContact O-CE 3.34Å; N236-M320 WeakPolarHBondContact OD1-CE 3.17Å
237	F	95.1	Very high	98.3	Very high	51 Å²	51	12.5 Å²	12.5	22%	0.224	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.2	-176.1	70.5	-91	0	0	0	116	Y50 Q55 N239 P390	Y50-F237 HydrophobicContact CD1-CB 3.86Å; Y50-F237 HydrophobicContact CD2-CB 3.73Å; Y50-F237 HydrophobicContact CE1-CB 4.33Å; Y50-F237 HydrophobicContact CE2-CB 4.19Å; Y50-F237 HydrophobicContact CG-CB 3.53Å; Q55-F237 WeakPolarHBondContact CG-O 3.45Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-P390 HydrophobicContact CE1-CG 4.22Å
238	T	96.2	Very high	98.3	Very high	91 Å²	91	12.3 Å²	12.3	56%	0.558	7%	0.069	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.8	172.7	73.1	0	0	0	0	112.5	N236	N236-T238 PolarHBondContact O-N 2.83Å; N236-T238 PolarHBondContact OD1-N 3.43Å; N236-T238 PolarHBondContact OD1-OG1 2.87Å
239	N	98	Very high	98.3	Very high	6 Å²	6	12.3 Å²	12.3	3%	0.032	7%	0.069	C	C	.	.			trans	-62.4	142.4	170.7	-178.7	38	0	0	0	111.4	M47 Q55 S125 M235 N236 F237 L241 M320	M47-N239 WeakPolarHBondContact CE-ND2 3.5Å; Q55-N239 VanDerWaalsContact CG-O 3.27Å; Q55-N239 WeakPolarHBondContact CG-O 3.19Å; Q55-N239 PolarHBondContact NE2-O 3.1Å; Q55-N239 VanDerWaalsContact NE2-O 3.15Å; S125-N239 PolarHBondContact OG-ND2 3.4Å; M235-N239 HydrophobicContact CB-CB 4.4Å; M235-N239 HydrophobicContact CE-CB 4.2Å; N236-N239 VanDerWaalsContact O-CB 3.23Å; N236-N239 WeakPolarHBondContact O-CB 3.38Å; N236-N239 PolarHBondContact O-N 2.83Å; F237-N239 VanDerWaalsContact C-N 3.34Å; N239-L241 PolarHBondContact ND2-O 2.82Å; N239-L241 PolarHBondContact OD1-N 3.17Å; N239-L241 PolarHBondContact OD1-O 3.33Å; N239-M320 HydrophobicContact CB-CE 3.54Å; N239-M320 HydrophobicContact CB-SD 4.37Å
240	T	97.7	Very high	98.3	Very high	44 Å²	44	12.3 Å²	12.3	27%	0.27	7%	0.069	S	C	.	.			trans	-126.8	2.9	173.7	49	0	0	0	0	112.6	N56 D57 N58	N56-T240 WeakPolarHBondContact O-CG2 3.35Å; D57-T240 CarbonylContact C-O 3.54Å; D57-T240 WeakPolarHBondContact CA-O 3.42Å; N58-T240 PolarHBondContact N-O 2.64Å; N58-T240 PolarHBondContact ND2-OG1 3.06Å; N58-T240 VanDerWaalsContact OD1-CB 3.31Å; N58-T240 WeakPolarHBondContact OD1-CB 3.33Å; N58-T240 PolarHBondContact OD1-O 2.89Å; N58-T240 PolarHBondContact OD1-OG1 3.19Å
241	L	98.7	Very high	98.3	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.058	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.4	178.5	-55.6	-178.4	0	0	0	110.9	M47 H61 N239 S243 F321 K648	M47-L241 WeakPolarHBondContact CE-O 3.21Å; H61-L241 HydrophobicContact CB-CB 3.88Å; H61-L241 HydrophobicContact CB-CD1 4.12Å; N239-L241 PolarHBondContact ND2-O 2.82Å; N239-L241 PolarHBondContact OD1-N 3.17Å; N239-L241 PolarHBondContact OD1-O 3.33Å; L241-S243 PolarHBondContact O-N 3.43Å; L241-F321 HydrophobicContact CD1-CE1 4.37Å; L241-F321 HydrophobicContact CD1-CZ 4.13Å; L241-K648 HydrophobicContact CD1-CB 4.23Å; L241-K648 HydrophobicContact CD1-CD 4.03Å; L241-K648 HydrophobicContact CD1-CG 4.26Å
242	V	98.8	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	130.6	172.9	172.1	0	0	0	0	110	T39 I42 D57 G59 L60 H61 L62 L64 S125	T39-V242 HydrophobicContact CG2-CG1 4.24Å; I42-V242 HydrophobicContact CB-CG2 4.19Å; I42-V242 HydrophobicContact CG2-CB 4.14Å; I42-V242 HydrophobicContact CG2-CG2 3.99Å; D57-V242 HydrophobicContact CB-CG2 4.09Å; G59-V242 PolarHBondContact O-N 3.07Å; L60-V242 HydrophobicContact CD1-CB 3.84Å; L60-V242 HydrophobicContact CD1-CG1 3.87Å; H61-V242 PolarHBondContact N-O 2.87Å; L62-V242 PolarHBondContact N-O 2.93Å; L62-V242 VanDerWaalsContact N-O 3.14Å; L64-V242 HydrophobicContact CD1-CG1 3.89Å; L64-V242 HydrophobicContact CD2-CG1 4.2Å; L64-V242 HydrophobicContact CG-CG1 3.93Å; S125-V242 CarbonylContact O-C 3.55Å; S125-V242 VanDerWaalsContact O-CA 3.23Å; S125-V242 WeakPolarHBondContact O-CA 3.26Å
243	S	98.9	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.			trans	-154.9	145.1	-175.6	-171.8	0	0	0	0	112.2	H61 T123 S125 L241 D245	H61-S243 PolarHBondContact ND1-OG 3.28Å; T123-S243 PolarHBondContact OG1-O 2.93Å; S125-S243 CarbonylContact C-O 3.55Å; S125-S243 WeakPolarHBondContact CB-O 2.89Å; S125-S243 PolarHBondContact O-N 3.31Å; L241-S243 PolarHBondContact O-N 3.43Å; S243-D245 PolarHBondContact O-N 3.48Å; S243-D245 PolarHBondContact OG-N 3.05Å
244	S	98.8	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.			trans	-82.5	3.8	172.8	65.5	0	0	0	0	113.6	L62 G248	L62-S244 WeakPolarHBondContact CD1-OG 3.42Å; S244-G248 WeakPolarHBondContact O-CA 3.16Å; S244-G248 PolarHBondContact O-N 2.79Å; S244-G248 WeakPolarHBondContact OG-CA 3.41Å
245	D	98.9	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	54.2	-155.3	176.2	-156.3	-84.6	0	0	0	113	A232 V233 S234 M235 S243 K247 L249	A232-D245 WeakPolarHBondContact CA-OD1 3.37Å; A232-D245 HydrophobicContact CB-CB 3.98Å; V233-D245 PolarHBondContact N-OD1 3.02Å; S234-D245 PolarHBondContact N-OD1 3.29Å; S234-D245 VanDerWaalsContact N-OD1 3.09Å; S234-D245 PolarHBondContact N-OD2 2.99Å; M235-D245 WeakPolarHBondContact CA-OD2 3.2Å; M235-D245 WeakPolarHBondContact CB-OD2 3.23Å; M235-D245 VanDerWaalsContact CG-OD2 3.29Å; M235-D245 WeakPolarHBondContact CG-OD2 3.15Å; M235-D245 PolarHBondContact N-OD2 2.83Å; S243-D245 PolarHBondContact O-N 3.48Å; S243-D245 PolarHBondContact OG-N 3.05Å; D245-K247 PolarHBondContact O-N 2.98Å; D245-L249 VanDerWaalsContact O-CB 3.31Å; D245-L249 WeakPolarHBondContact O-CB 3.22Å; D245-L249 PolarHBondContact O-N 2.89Å
246	N	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.2	-37.5	-169.4	60.5	39.3	0	0	0	113.3	H231 S234 A250 P283 T324 I327 A328 Q331	H231-N246 PolarHBondContact O-ND2 3.04Å; H231-N246 VanDerWaalsContact O-ND2 3.16Å; S234-N246 PolarHBondContact OG-ND2 2.87Å; N246-A250 WeakPolarHBondContact O-CB 3.42Å; N246-A250 PolarHBondContact O-N 3.32Å; N246-P283 WeakPolarHBondContact ND2-CB 3.33Å; N246-T324 HydrophobicContact CB-CG2 4.33Å; N246-I327 HydrophobicContact CB-CB 4.09Å; N246-I327 HydrophobicContact CB-CG2 3.84Å; N246-A328 WeakPolarHBondContact O-CA 3.47Å; N246-A328 WeakPolarHBondContact O-CB 3.4Å; N246-Q331 PolarHBondContact OD1-NE2 3.48Å
247	K	98.9	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.9	-45.8	178	-79.8	-177.2	177.4	-63.2	0	112.1	T121 F228 V230 D245 L249 A250 A251 F273 A274 Q275	T121-K247 HydrophobicContact CG2-CB 4.38Å; F228-K247 PolarHBondContact O-NZ 3.5Å; V230-K247 WeakPolarHBondContact O-CE 3.37Å; D245-K247 PolarHBondContact O-N 2.98Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 2.83Å; K247-A250 PolarHBondContact O-N 2.88Å; K247-A251 PolarHBondContact O-N 3.45Å; K247-F273 HydrophobicContact CB-CB 3.99Å; K247-F273 HydrophobicContact CG-CB 4.21Å; K247-A274 PolarHBondContact NZ-O 3.01Å; K247-Q275 HydrophobicContact CD-CG 4.28Å
248	G	98.7	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.7	-35.3	178	0	0	0	0	0	112.4	S244 A251 I252	S244-G248 WeakPolarHBondContact O-CA 3.16Å; S244-G248 PolarHBondContact O-N 2.79Å; S244-G248 WeakPolarHBondContact OG-CA 3.41Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 3.37Å; G248-I252 VanDerWaalsContact O-CG1 3.29Å; G248-I252 WeakPolarHBondContact O-CG1 3.47Å; G248-I252 PolarHBondContact O-N 3.07Å
249	L	98.8	Very high	98.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-41.6	171.1	-178	60.4	0	0	0	112	L62 D245 K247 A251 I252 L253 T324 K325 A328 W645 I675	L62-L249 HydrophobicContact CD1-CB 4.05Å; L62-L249 HydrophobicContact CD1-CD1 4.21Å; D245-L249 VanDerWaalsContact O-CB 3.31Å; D245-L249 WeakPolarHBondContact O-CB 3.22Å; D245-L249 PolarHBondContact O-N 2.89Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 2.83Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.49Å; L249-I252 PolarHBondContact O-N 3.01Å; L249-L253 HydrophobicContact CD1-CG 4.35Å; L249-L253 HydrophobicContact CG-CD1 4.24Å; L249-L253 HydrophobicContact CG-CG 4.37Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.42Å; L249-T324 HydrophobicContact CD2-CG2 4.4Å; L249-K325 HydrophobicContact CD2-CB 4.5Å; L249-A328 HydrophobicContact CB-CB 3.78Å; L249-A328 HydrophobicContact CD2-CB 3.61Å; L249-A328 HydrophobicContact CG-CB 3.74Å; L249-W645 HydrophobicContact CD1-CB 4.3Å; L249-W645 HydrophobicContact CD1-CD2 4.21Å; L249-W645 HydrophobicContact CD1-CE3 3.57Å; L249-W645 HydrophobicContact CD1-CZ3 4.27Å; L249-W645 HydrophobicContact CD2-CD2 4.11Å; L249-W645 HydrophobicContact CD2-CE3 3.37Å; L249-W645 HydrophobicContact CD2-CH2 3.92Å; L249-W645 HydrophobicContact CD2-CZ3 3.25Å; L249-W645 HydrophobicContact CG-CE3 4.04Å; L249-W645 HydrophobicContact CG-CZ3 4.26Å; L249-I675 HydrophobicContact CD1-CD1 3.99Å; L249-I675 HydrophobicContact CD2-CD1 4.07Å; L249-I675 HydrophobicContact CG-CD1 4.4Å
250	A	98.8	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.8	-38.5	175.8	0	0	0	0	0	111.8	N246 K247 F254 F273 A328 Q331 F332	N246-A250 WeakPolarHBondContact O-CB 3.42Å; N246-A250 PolarHBondContact O-N 3.32Å; K247-A250 PolarHBondContact O-N 2.88Å; A250-F254 PolarHBondContact O-N 3.27Å; A250-F254 VanDerWaalsContact O-N 3.13Å; A250-F273 VanDerWaalsContact C-CE2 3.43Å; A250-F273 HydrophobicContact CB-CD1 3.57Å; A250-F273 HydrophobicContact CB-CD2 4.19Å; A250-F273 HydrophobicContact CB-CE1 3.48Å; A250-F273 VanDerWaalsContact CB-CE1 3.48Å; A250-F273 HydrophobicContact CB-CE2 4.07Å; A250-F273 HydrophobicContact CB-CG 3.98Å; A250-F273 HydrophobicContact CB-CZ 3.73Å; A250-F273 WeakPolarHBondContact O-CE2 3.49Å; A250-A328 HydrophobicContact CB-CB 4.27Å; A250-Q331 HydrophobicContact CB-CB 4.05Å; A250-F332 HydrophobicContact CB-CB 4.3Å
251	A	98.8	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-49.2	172.1	0	0	0	0	0	112	K247 G248 L249 L253 F254 E255 A271 F273	K247-A251 PolarHBondContact O-N 3.45Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 3.37Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.49Å; A251-L253 PolarHBondContact O-N 3.02Å; A251-F254 PolarHBondContact O-N 3.43Å; A251-E255 WeakPolarHBondContact O-CB 3.39Å; A251-E255 WeakPolarHBondContact O-CG 3.42Å; A251-E255 PolarHBondContact O-N 2.86Å; A251-A271 VanDerWaalsContact CB-O 3.27Å; A251-A271 WeakPolarHBondContact CB-O 3.09Å; A251-F273 VanDerWaalsContact CA-CD2 3.49Å; A251-F273 HydrophobicContact CB-CD2 3.74Å; A251-F273 HydrophobicContact CB-CE2 4.31Å
252	I	97.8	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-47.8	177.6	-74.1	167.8	0	0	0	111	L62 G248 L249 F254 E255 Q256 L264	L62-I252 HydrophobicContact CB-CD1 4.44Å; L62-I252 HydrophobicContact CD1-CD1 4.38Å; L62-I252 HydrophobicContact CD2-CD1 4.02Å; G248-I252 VanDerWaalsContact O-CG1 3.29Å; G248-I252 WeakPolarHBondContact O-CG1 3.47Å; G248-I252 PolarHBondContact O-N 3.07Å; L249-I252 PolarHBondContact O-N 3.01Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 PolarHBondContact O-N 3.16Å; I252-E255 PolarHBondContact O-N 3.15Å; I252-Q256 HydrophobicContact CG2-CG 4.31Å; I252-Q256 WeakPolarHBondContact O-CB 3.42Å; I252-Q256 VanDerWaalsContact O-CG 3.29Å; I252-Q256 WeakPolarHBondContact O-CG 3.47Å; I252-Q256 PolarHBondContact O-N 3.48Å; I252-L264 HydrophobicContact CG2-CD1 3.89Å; I252-L264 HydrophobicContact CG2-CD2 3.84Å
253	L	97.6	Very high	96.1	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-41.8	177.5	-72.8	171.4	0	0	0	111.8	L249 A251 K257 A328 Y329 F332 I675	L249-L253 HydrophobicContact CD1-CG 4.35Å; L249-L253 HydrophobicContact CG-CD1 4.24Å; L249-L253 HydrophobicContact CG-CG 4.37Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.42Å; A251-L253 PolarHBondContact O-N 3.02Å; L253-K257 WeakPolarHBondContact O-CB 3.4Å; L253-K257 PolarHBondContact O-N 3.16Å; L253-K257 VanDerWaalsContact O-N 3.14Å; L253-A328 HydrophobicContact CD1-CB 4.47Å; L253-Y329 HydrophobicContact CD1-CD2 4.05Å; L253-Y329 HydrophobicContact CD1-CE2 4.01Å; L253-Y329 HydrophobicContact CD1-CG 4.34Å; L253-Y329 HydrophobicContact CD2-CE2 4.43Å; L253-F332 HydrophobicContact CB-CB 4.42Å; L253-F332 HydrophobicContact CB-CD1 4.45Å; L253-F332 HydrophobicContact CB-CD2 3.91Å; L253-F332 HydrophobicContact CB-CE2 4.34Å; L253-F332 HydrophobicContact CB-CG 3.98Å; L253-F332 HydrophobicContact CD1-CB 4.26Å; L253-F332 HydrophobicContact CD1-CG 4.37Å; L253-I675 HydrophobicContact CD2-CD1 3.95Å; L253-I675 HydrophobicContact CD2-CG2 3.79Å
254	F	98.2	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-44.7	177.5	-149.4	-65.7	0	0	0	111.9	M224 A250 A251 I252 K257 M258 F269 A271 F273 F332 A335 W336 F339	M224-F254 HydrophobicContact CE-CD1 4.39Å; M224-F254 HydrophobicContact CE-CD2 3.35Å; M224-F254 HydrophobicContact CE-CE1 4.39Å; M224-F254 HydrophobicContact CE-CE2 3.32Å; M224-F254 HydrophobicContact CE-CG 3.91Å; M224-F254 HydrophobicContact CE-CZ 3.88Å; M224-F254 HydrophobicContact CG-CD1 4.41Å; M224-F254 HydrophobicContact CG-CE1 4.08Å; M224-F254 HydrophobicContact CG-CZ 4.14Å; A250-F254 PolarHBondContact O-N 3.27Å; A250-F254 VanDerWaalsContact O-N 3.13Å; A251-F254 PolarHBondContact O-N 3.43Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 PolarHBondContact O-N 3.16Å; F254-K257 PolarHBondContact O-N 2.97Å; F254-M258 HydrophobicContact CD1-CG 3.82Å; F254-M258 HydrophobicContact CE1-CG 3.82Å; F254-M258 HydrophobicContact CE1-SD 4.41Å; F254-M258 WeakPolarHBondContact O-CG 3.49Å; F254-M258 PolarHBondContact O-N 2.87Å; F254-F269 HydrophobicContact CD1-CD1 4.47Å; F254-F269 AromaticContact CD1-CE1 3.6Å; F254-F269 HydrophobicContact CD1-CE1 3.6Å; F254-F269 HydrophobicContact CD1-CZ 4.19Å; F254-F269 AromaticContact CE1-CE1 3.68Å; F254-F269 HydrophobicContact CE1-CE1 3.68Å; F254-F269 AromaticContact CE1-CZ 3.77Å; F254-F269 HydrophobicContact CE1-CZ 3.77Å; F254-A271 HydrophobicContact CB-CB 3.73Å; F254-A271 HydrophobicContact CD1-CB 3.97Å; F254-A271 HydrophobicContact CG-CB 3.99Å; F254-F273 HydrophobicContact CB-CE2 4.29Å; F254-F273 HydrophobicContact CD2-CE2 4.43Å; F254-F273 HydrophobicContact CD2-CZ 4.26Å; F254-F332 HydrophobicContact CB-CD2 3.99Å; F254-F332 HydrophobicContact CB-CE2 4.15Å; F254-F332 AromaticContact CD2-CD2 3.81Å; F254-F332 HydrophobicContact CD2-CD2 3.81Å; F254-F332 AromaticContact CD2-CE2 3.98Å; F254-F332 HydrophobicContact CD2-CE2 3.98Å; F254-F332 HydrophobicContact CG-CD2 4.23Å; F254-F332 HydrophobicContact CG-CE2 4.21Å; F254-A335 HydrophobicContact CD2-CB 4.36Å; F254-A335 HydrophobicContact CE2-CB 4.1Å; F254-W336 HydrophobicContact CD1-CE3 4.27Å; F254-W336 HydrophobicContact CD1-CZ3 4.15Å; F254-W336 HydrophobicContact CD2-CE3 4.14Å; F254-W336 AromaticContact CE1-CE3 3.8Å; F254-W336 HydrophobicContact CE1-CE3 3.8Å; F254-W336 AromaticContact CE1-CZ3 3.69Å; F254-W336 HydrophobicContact CE1-CZ3 3.69Å; F254-W336 HydrophobicContact CE2-CB 4.33Å; F254-W336 AromaticContact CE2-CE3 3.69Å; F254-W336 HydrophobicContact CE2-CE3 3.69Å; F254-W336 HydrophobicContact CE2-CZ3 4.42Å; F254-W336 HydrophobicContact CG-CE3 4.43Å; F254-W336 AromaticContact CZ-CE3 3.49Å; F254-W336 HydrophobicContact CZ-CE3 3.49Å; F254-W336 VanDerWaalsContact CZ-CE3 3.49Å; F254-W336 AromaticContact CZ-CZ3 3.85Å; F254-W336 HydrophobicContact CZ-CZ3 3.85Å; F254-F339 HydrophobicContact CE1-CD2 4.3Å; F254-F339 HydrophobicContact CE1-CE2 4.36Å; F254-F339 HydrophobicContact CE1-CG 4.35Å; F254-F339 HydrophobicContact CE1-CZ 4.48Å; F254-F339 HydrophobicContact CE2-CB 4.38Å; F254-F339 HydrophobicContact CZ-CB 3.78Å; F254-F339 HydrophobicContact CZ-CD1 4.06Å; F254-F339 AromaticContact CZ-CD2 3.87Å; F254-F339 HydrophobicContact CZ-CD2 3.87Å; F254-F339 HydrophobicContact CZ-CE2 4.38Å; F254-F339 AromaticContact CZ-CG 3.66Å; F254-F339 HydrophobicContact CZ-CG 3.66Å
255	E	98.2	Very high	95.6	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-41.9	178.6	-72.9	170.9	162.5	0	0	111.8	I35 R67 A251 I252 K257 M258 N259 A271	I35-E255 WeakPolarHBondContact CD1-OE1 3.4Å; R67-E255 IonicContact CZ-OE1 2.72Å; R67-E255 IonicContact CZ-OE2 2.65Å; R67-E255 IonicContact NE-OE1 2.59Å; R67-E255 PolarHBondContact NE-OE1 3.11Å; R67-E255 IonicContact NE-OE2 3.9Å; R67-E255 IonicContact NH2-OE1 2.71Å; R67-E255 IonicContact NH2-OE2 2.73Å; R67-E255 PolarHBondContact NH2-OE2 3.03Å; A251-E255 WeakPolarHBondContact O-CB 3.39Å; A251-E255 WeakPolarHBondContact O-CG 3.42Å; A251-E255 PolarHBondContact O-N 2.86Å; I252-E255 PolarHBondContact O-N 3.15Å; E255-K257 VanDerWaalsContact C-N 3.33Å; E255-K257 PolarHBondContact O-N 3.07Å; E255-M258 PolarHBondContact O-N 3.26Å; E255-N259 WeakPolarHBondContact O-CB 3.4Å; E255-N259 PolarHBondContact O-N 2.75Å; E255-N259 PolarHBondContact O-ND2 3.37Å; E255-A271 HydrophobicContact CG-CB 3.77Å; E255-A271 PolarHBondContact OE1-N 2.84Å
256	Q	95.4	Very high	95.2	Very high	48 Å²	48	39.7 Å²	39.7	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-45.7	174.2	-73.4	174.8	-46.4	0	0	111.2	I252 M258 H260 L264	I252-Q256 HydrophobicContact CG2-CG 4.31Å; I252-Q256 WeakPolarHBondContact O-CB 3.42Å; I252-Q256 VanDerWaalsContact O-CG 3.29Å; I252-Q256 WeakPolarHBondContact O-CG 3.47Å; I252-Q256 PolarHBondContact O-N 3.48Å; Q256-M258 VanDerWaalsContact C-N 3.31Å; Q256-M258 PolarHBondContact O-N 2.94Å; Q256-H260 WeakPolarHBondContact O-CA 3.37Å; Q256-H260 PolarHBondContact O-N 2.99Å; Q256-L264 HydrophobicContact CG-CD2 3.38Å; Q256-L264 HydrophobicContact CG-CG 4.46Å
257	K	95.9	Very high	95	Very high	95 Å²	95	40 Å²	40	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-63.3	-37.9	-179.8	-170.3	163	-172.6	172.2	0	112.8	L253 F254 E255 F332 W336	L253-K257 WeakPolarHBondContact O-CB 3.4Å; L253-K257 PolarHBondContact O-N 3.16Å; L253-K257 VanDerWaalsContact O-N 3.14Å; F254-K257 PolarHBondContact O-N 2.97Å; E255-K257 VanDerWaalsContact C-N 3.33Å; E255-K257 PolarHBondContact O-N 3.07Å; K257-F332 HydrophobicContact CD-CE2 4.29Å; K257-F332 HydrophobicContact CD-CZ 3.71Å; K257-W336 HydrophobicContact CB-CZ3 4.28Å; K257-W336 HydrophobicContact CD-CD2 4.03Å; K257-W336 HydrophobicContact CD-CE3 3.9Å; K257-W336 HydrophobicContact CD-CH2 3.61Å; K257-W336 HydrophobicContact CD-CZ2 3.73Å; K257-W336 HydrophobicContact CD-CZ3 3.69Å; K257-W336 VanDerWaalsContact CE-CE2 3.47Å; K257-W336 HydrophobicContact CG-CH2 3.68Å; K257-W336 HydrophobicContact CG-CZ2 4.19Å; K257-W336 HydrophobicContact CG-CZ3 3.88Å
258	M	97.4	Very high	94.9	Very high	43 Å²	43	44.2 Å²	44.2	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-84.2	-32.7	-178.5	-68.8	-61.5	-64.9	0	0	113.6	P221 F254 E255 Q256 F269 W336 F339	P221-M258 HydrophobicContact CB-CE 3.96Å; P221-M258 HydrophobicContact CG-CE 4.22Å; F254-M258 HydrophobicContact CD1-CG 3.82Å; F254-M258 HydrophobicContact CE1-CG 3.82Å; F254-M258 HydrophobicContact CE1-SD 4.41Å; F254-M258 WeakPolarHBondContact O-CG 3.49Å; F254-M258 PolarHBondContact O-N 2.87Å; E255-M258 PolarHBondContact O-N 3.26Å; Q256-M258 VanDerWaalsContact C-N 3.31Å; Q256-M258 PolarHBondContact O-N 2.94Å; M258-F269 HydrophobicContact CB-CB 3.79Å; M258-F269 HydrophobicContact CB-CD1 3.56Å; M258-F269 HydrophobicContact CB-CD2 4.18Å; M258-F269 HydrophobicContact CB-CE1 4.17Å; M258-F269 HydrophobicContact CB-CG 3.56Å; M258-F269 HydrophobicContact CE-CD2 3.63Å; M258-F269 HydrophobicContact CE-CE2 3.65Å; M258-F269 HydrophobicContact CE-CG 4.21Å; M258-F269 HydrophobicContact CE-CZ 4.24Å; M258-F269 HydrophobicContact CG-CD1 3.66Å; M258-F269 HydrophobicContact CG-CD2 4.21Å; M258-F269 HydrophobicContact CG-CE1 3.72Å; M258-F269 HydrophobicContact CG-CE2 4.27Å; M258-F269 HydrophobicContact CG-CG 3.92Å; M258-F269 HydrophobicContact CG-CZ 4.03Å; M258-W336 HydrophobicContact CG-CH2 4.5Å; M258-W336 HydrophobicContact CG-CZ3 4.06Å; M258-W336 HydrophobicContact SD-CH2 3.63Å; M258-W336 HydrophobicContact SD-CZ3 3.69Å; M258-F339 HydrophobicContact CE-CE1 4.3Å; M258-F339 HydrophobicContact CE-CZ 4.02Å; M258-F339 HydrophobicContact SD-CE1 4.32Å; M258-F339 HydrophobicContact SD-CZ 4.44Å
259	N	96.8	Very high	94.8	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-98.2	-0.2	-176.3	-62.1	-52	0	0	0	113.4	E255 N261 Q262 G267 P268 F269	E255-N259 WeakPolarHBondContact O-CB 3.4Å; E255-N259 PolarHBondContact O-N 2.75Å; E255-N259 PolarHBondContact O-ND2 3.37Å; N259-N261 PolarHBondContact O-N 3.32Å; N259-Q262 HydrophobicContact CB-CB 4.27Å; N259-Q262 WeakPolarHBondContact O-CG 3.39Å; N259-Q262 PolarHBondContact O-N 3.14Å; N259-G267 VanDerWaalsContact CG-CA 3.48Å; N259-P268 WeakPolarHBondContact OD1-CD 3.35Å; N259-F269 PolarHBondContact ND2-O 3.35Å; N259-F269 VanDerWaalsContact OD1-CB 3.23Å; N259-F269 WeakPolarHBondContact OD1-CB 3.37Å; N259-F269 PolarHBondContact OD1-N 3.43Å
260	H	88.5	Confident	94.8	Very high	146 Å²	146	44.7 Å²	44.7	68%	0.676	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-122.3	178.3	-55.3	-69	0	0	0	112.2	Q256 Q262	Q256-H260 WeakPolarHBondContact O-CA 3.37Å; Q256-H260 PolarHBondContact O-N 2.99Å; H260-Q262 PolarHBondContact O-N 2.83Å
261	N	82.1	Confident	94.8	Very high	169 Å²	169	44.7 Å²	44.7	90%	0.904	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	12.3	-173.5	-60.2	-16.7	0	0	0	113.5	N259	N259-N261 PolarHBondContact O-N 3.32Å
262	Q	90.1	Very high	94.9	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	23%	0.225	S	C	.	.	S	Bend	trans	-76.8	146.9	176.5	-65.6	-162.5	6.9	0	0	111.3	N259 H260 G267	N259-Q262 HydrophobicContact CB-CB 4.27Å; N259-Q262 WeakPolarHBondContact O-CG 3.39Å; N259-Q262 PolarHBondContact O-N 3.14Å; H260-Q262 PolarHBondContact O-N 2.83Å; Q262-G267 VanDerWaalsContact OE1-CA 3.3Å
263	M	90.9	Very high	94.9	Very high	68 Å²	68	44.7 Å²	44.7	34%	0.335	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-58.1	138.9	175.1	-66.1	-59.4	-66.1	0	0	111.2	G265 K266 I638 T641	M263-G265 PolarHBondContact O-N 2.8Å; M263-K266 HydrophobicContact CB-CB 4.28Å; M263-K266 HydrophobicContact CB-CG 3.92Å; M263-K266 WeakPolarHBondContact O-CB 3.12Å; M263-K266 PolarHBondContact O-N 2.58Å; M263-I638 HydrophobicContact CE-CG2 3.91Å; M263-I638 HydrophobicContact SD-CB 4.44Å; M263-I638 HydrophobicContact SD-CG2 3.91Å; M263-T641 HydrophobicContact CE-CG2 3.07Å
264	L	94	Very high	95	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.099	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.7	176.2	-69.4	178	0	0	0	111.1	I252 Q256 K266 A643 N644	I252-L264 HydrophobicContact CG2-CD1 3.89Å; I252-L264 HydrophobicContact CG2-CD2 3.84Å; Q256-L264 HydrophobicContact CG-CD2 3.38Å; Q256-L264 HydrophobicContact CG-CG 4.46Å; L264-K266 PolarHBondContact O-N 2.81Å; L264-A643 HydrophobicContact CB-CB 3.81Å; L264-A643 VanDerWaalsContact CD1-C 3.49Å; L264-A643 HydrophobicContact CD1-CB 3.82Å; L264-A643 WeakPolarHBondContact CD1-O 3.39Å; L264-A643 HydrophobicContact CG-CB 4.44Å; L264-N644 HydrophobicContact CD1-CB 4.38Å
265	G	93.2	Very high	95	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	4.2	-175.8	0	0	0	0	0	115.6	M263	M263-G265 PolarHBondContact O-N 2.8Å
266	K	91.1	Very high	95	Very high	101 Å²	101	44.4 Å²	44.4	44%	0.439	23%	0.225	S	C	.	.			trans	-116.1	-8.4	177.4	-53.3	-60.3	-176.3	-173.1	0	114.3	M263 L264 N620	M263-K266 HydrophobicContact CB-CB 4.28Å; M263-K266 HydrophobicContact CB-CG 3.92Å; M263-K266 WeakPolarHBondContact O-CB 3.12Å; M263-K266 PolarHBondContact O-N 2.58Å; L264-K266 PolarHBondContact O-N 2.81Å; K266-N620 PolarHBondContact NZ-ND2 2.91Å; K266-N620 PolarHBondContact NZ-O 3.19Å; K266-N620 PolarHBondContact NZ-OD1 3.29Å
267	G	93.4	Very high	95.2	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	21%	0.214	C	C	.	.			trans	-64.4	148.3	-179.1	0	0	0	0	0	114.3	N259 Q262 F269	N259-G267 VanDerWaalsContact CG-CA 3.48Å; Q262-G267 VanDerWaalsContact OE1-CA 3.3Å; G267-F269 VanDerWaalsContact C-N 3.34Å
268	P	96.2	Very high	95.3	Very high	88 Å²	88	37.6 Å²	37.6	57%	0.571	20%	0.195	S	C	*	.	S	Bend	trans	-70.6	-27.5	173.9	29	-36.9	0	0	0	113.4	N259	N259-P268 WeakPolarHBondContact OD1-CD 3.35Å
269	F	98.4	Very high	95.4	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.035	19%	0.185	C	C	.	.			trans	-85	131.8	175.9	-172.1	-86.1	0	0	0	110.6	P221 I222 G223 M224 F254 M258 N259 G267 A271 F339	P221-F269 HydrophobicContact CB-CD2 4.32Å; P221-F269 HydrophobicContact CB-CE2 3.83Å; I222-F269 VanDerWaalsContact C-CD2 3.4Å; I222-F269 WeakPolarHBondContact O-CA 3.09Å; G223-F269 VanDerWaalsContact N-CE2 3.29Å; M224-F269 HydrophobicContact CB-CZ 4.31Å; M224-F269 HydrophobicContact CG-CE1 4.15Å; M224-F269 HydrophobicContact CG-CZ 3.99Å; F254-F269 HydrophobicContact CD1-CD1 4.47Å; F254-F269 AromaticContact CD1-CE1 3.6Å; F254-F269 HydrophobicContact CD1-CE1 3.6Å; F254-F269 HydrophobicContact CD1-CZ 4.19Å; F254-F269 AromaticContact CE1-CE1 3.68Å; F254-F269 HydrophobicContact CE1-CE1 3.68Å; F254-F269 AromaticContact CE1-CZ 3.77Å; F254-F269 HydrophobicContact CE1-CZ 3.77Å; M258-F269 HydrophobicContact CB-CB 3.79Å; M258-F269 HydrophobicContact CB-CD1 3.56Å; M258-F269 HydrophobicContact CB-CD2 4.18Å; M258-F269 HydrophobicContact CB-CE1 4.17Å; M258-F269 HydrophobicContact CB-CG 3.56Å; M258-F269 HydrophobicContact CE-CD2 3.63Å; M258-F269 HydrophobicContact CE-CE2 3.65Å; M258-F269 HydrophobicContact CE-CG 4.21Å; M258-F269 HydrophobicContact CE-CZ 4.24Å; M258-F269 HydrophobicContact CG-CD1 3.66Å; M258-F269 HydrophobicContact CG-CD2 4.21Å; M258-F269 HydrophobicContact CG-CE1 3.72Å; M258-F269 HydrophobicContact CG-CE2 4.27Å; M258-F269 HydrophobicContact CG-CG 3.92Å; M258-F269 HydrophobicContact CG-CZ 4.03Å; N259-F269 PolarHBondContact ND2-O 3.35Å; N259-F269 VanDerWaalsContact OD1-CB 3.23Å; N259-F269 WeakPolarHBondContact OD1-CB 3.37Å; N259-F269 PolarHBondContact OD1-N 3.43Å; G267-F269 VanDerWaalsContact C-N 3.34Å; F269-A271 HydrophobicContact CD1-CB 4.38Å; F269-A271 HydrophobicContact CE1-CB 3.86Å; F269-F339 AromaticContact CE2-CE2 3.96Å; F269-F339 HydrophobicContact CE2-CE2 3.96Å; F269-F339 AromaticContact CE2-CZ 3.88Å; F269-F339 HydrophobicContact CE2-CZ 3.88Å; F269-F339 AromaticContact CZ-CE2 3.71Å; F269-F339 HydrophobicContact CZ-CE2 3.71Å; F269-F339 AromaticContact CZ-CZ 3.92Å; F269-F339 HydrophobicContact CZ-CZ 3.92Å
270	V	98.8	Very high	95.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.3	179.5	-176.1	0	0	0	0	110.2	V33 I35 R67 F69 I222 G223 M224	V33-V270 HydrophobicContact CB-CB 4.17Å; V33-V270 HydrophobicContact CB-CG2 3.98Å; V33-V270 HydrophobicContact CG2-CG2 4.14Å; I35-V270 HydrophobicContact CB-CG1 4.22Å; I35-V270 HydrophobicContact CB-CG2 4.03Å; I35-V270 HydrophobicContact CG2-CG2 4.07Å; R67-V270 HydrophobicContact CB-CG1 3.69Å; R67-V270 HydrophobicContact CG-CG1 3.77Å; F69-V270 HydrophobicContact CE1-CB 4.5Å; F69-V270 HydrophobicContact CE1-CG1 4.42Å; F69-V270 HydrophobicContact CE2-CG1 4.37Å; F69-V270 HydrophobicContact CZ-CB 4.36Å; F69-V270 HydrophobicContact CZ-CG1 3.83Å; I222-V270 PolarHBondContact O-N 3.31Å; G223-V270 CarbonylContact C-O 3.54Å; G223-V270 WeakPolarHBondContact CA-O 3.44Å; M224-V270 PolarHBondContact N-O 3.32Å
271	A	98.9	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119	-179.6	0	0	0	0	0	110.7	R67 M224 A251 F254 E255 F269	R67-A271 WeakPolarHBondContact CD-O 3.11Å; R67-A271 PolarHBondContact NE-O 2.82Å; M224-A271 HydrophobicContact CE-CB 4.42Å; M224-A271 HydrophobicContact CG-CB 4.02Å; M224-A271 WeakPolarHBondContact O-CA 3.5Å; M224-A271 HydrophobicContact SD-CB 3.98Å; A251-A271 VanDerWaalsContact CB-O 3.27Å; A251-A271 WeakPolarHBondContact CB-O 3.09Å; F254-A271 HydrophobicContact CB-CB 3.73Å; F254-A271 HydrophobicContact CD1-CB 3.97Å; F254-A271 HydrophobicContact CG-CB 3.99Å; E255-A271 HydrophobicContact CG-CB 3.77Å; E255-A271 PolarHBondContact OE1-N 2.84Å; F269-A271 HydrophobicContact CD1-CB 4.38Å; F269-A271 HydrophobicContact CE1-CB 3.86Å
272	A	98.9	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.8	-180	0	0	0	0	0	112.7	R67 F69 I84 M224 I225 N226	R67-A272 HydrophobicContact CB-CB 4.07Å; F69-A272 HydrophobicContact CE2-CB 3.62Å; F69-A272 HydrophobicContact CZ-CB 3.83Å; I84-A272 HydrophobicContact CB-CB 3.83Å; I84-A272 HydrophobicContact CG1-CB 3.74Å; I84-A272 HydrophobicContact CG2-CB 4.3Å; M224-A272 PolarHBondContact O-N 3.08Å; I225-A272 CarbonylContact C-O 3.46Å; I225-A272 WeakPolarHBondContact CA-O 3.32Å; I225-A272 HydrophobicContact CG1-CB 4.3Å; I225-A272 HydrophobicContact CG2-CB 4.24Å; N226-A272 PolarHBondContact N-O 3.04Å
273	F	98.9	Very high	97.2	Very high	2 Å²	2	15 Å²	15	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	94.1	175.8	-75.8	-112.1	0	0	0	109.3	T121 M224 N226 K247 A250 A251 F254 Q331 A335	T121-F273 WeakPolarHBondContact CG2-O 3.23Å; M224-F273 HydrophobicContact CE-CD2 4.47Å; M224-F273 HydrophobicContact CE-CE2 3.64Å; M224-F273 HydrophobicContact CE-CZ 3.77Å; M224-F273 HydrophobicContact SD-CE2 4.48Å; N226-F273 VanDerWaalsContact OD1-CA 3.23Å; N226-F273 WeakPolarHBondContact OD1-CA 3.4Å; N226-F273 WeakPolarHBondContact OD1-CB 3.42Å; N226-F273 WeakPolarHBondContact OD1-CD1 3.34Å; N226-F273 VanDerWaalsContact OD1-CE1 3.25Å; N226-F273 WeakPolarHBondContact OD1-CE1 3.17Å; N226-F273 WeakPolarHBondContact OD1-CG 3.38Å; K247-F273 HydrophobicContact CB-CB 3.99Å; K247-F273 HydrophobicContact CG-CB 4.21Å; A250-F273 VanDerWaalsContact C-CE2 3.43Å; A250-F273 HydrophobicContact CB-CD1 3.57Å; A250-F273 HydrophobicContact CB-CD2 4.19Å; A250-F273 HydrophobicContact CB-CE1 3.48Å; A250-F273 VanDerWaalsContact CB-CE1 3.48Å; A250-F273 HydrophobicContact CB-CE2 4.07Å; A250-F273 HydrophobicContact CB-CG 3.98Å; A250-F273 HydrophobicContact CB-CZ 3.73Å; A250-F273 WeakPolarHBondContact O-CE2 3.49Å; A251-F273 VanDerWaalsContact CA-CD2 3.49Å; A251-F273 HydrophobicContact CB-CD2 3.74Å; A251-F273 HydrophobicContact CB-CE2 4.31Å; F254-F273 HydrophobicContact CB-CE2 4.29Å; F254-F273 HydrophobicContact CD2-CE2 4.43Å; F254-F273 HydrophobicContact CD2-CZ 4.26Å; F273-Q331 HydrophobicContact CD1-CB 4.11Å; F273-Q331 HydrophobicContact CE1-CB 3.88Å; F273-A335 HydrophobicContact CE1-CB 3.92Å; F273-A335 HydrophobicContact CZ-CB 3.76Å
274	A	98.9	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	159.6	-177.9	0	0	0	0	0	112.6	I84 I225 N226 W227 F228 K247	I84-A274 HydrophobicContact CD1-CB 3.67Å; I84-A274 HydrophobicContact CG1-CB 4.13Å; I84-A274 HydrophobicContact CG2-CB 4.41Å; I225-A274 HydrophobicContact CG2-CB 4.21Å; N226-A274 WeakPolarHBondContact O-CB 3.31Å; N226-A274 PolarHBondContact O-N 3.23Å; W227-A274 HydrophobicContact CD2-CB 4.21Å; W227-A274 HydrophobicContact CG-CB 3.96Å; F228-A274 PolarHBondContact N-O 3.24Å; K247-A274 PolarHBondContact NZ-O 3.01Å
275	Q	98.8	Very high	97.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.			trans	-85	160.6	170.9	-75.3	-67.8	16.8	0	0	112.1	T121 H122 W227 F228 V230 K247 E278 S502 G503 L504	T121-Q275 WeakPolarHBondContact O-CG 3.41Å; T121-Q275 PolarHBondContact O-NE2 2.77Å; H122-Q275 HydrophobicContact CB-CG 4.16Å; W227-Q275 VanDerWaalsContact CD1-O 3.28Å; F228-Q275 PolarHBondContact O-OE1 2.68Å; V230-Q275 PolarHBondContact O-NE2 2.73Å; V230-Q275 PolarHBondContact O-OE1 3.07Å; V230-Q275 VanDerWaalsContact O-OE1 3.12Å; K247-Q275 HydrophobicContact CD-CG 4.28Å; Q275-E278 WeakPolarHBondContact CB-OE1 3.43Å; Q275-E278 WeakPolarHBondContact CG-OE1 3.41Å; Q275-E278 VanDerWaalsContact OE1-CD 3.29Å; Q275-E278 PolarHBondContact OE1-OE1 2.93Å; Q275-S502 WeakPolarHBondContact O-CA 3.41Å; Q275-G503 PolarHBondContact O-N 3.16Å; Q275-G503 VanDerWaalsContact O-N 3.13Å; Q275-L504 HydrophobicContact CB-CD1 3.8Å; Q275-L504 HydrophobicContact CG-CD1 3.8Å
276	A	98.6	Very high	97.9	Very high	8 Å²	8	14.3 Å²	14.3	7%	0.066	9%	0.086	C	C	.	.			trans	-122.7	-100.2	175	0	0	0	0	0	110.5	A229 E278 L501 G503	A229-A276 HydrophobicContact CB-CB 4.14Å; A276-E278 VanDerWaalsContact C-OE2 3.29Å; A276-E278 PolarHBondContact N-OE2 3.44Å; A276-L501 WeakPolarHBondContact CA-O 2.94Å; A276-L501 HydrophobicContact CB-CB 4.45Å; A276-G503 VanDerWaalsContact O-CA 3.26Å; A276-G503 WeakPolarHBondContact O-CA 3.26Å; A276-G503 PolarHBondContact O-N 2.92Å
277	N	98.7	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-126.8	67.2	179.2	53.5	-55.9	0	0	0	109.7	D206 F466 T468 R475 L501	D206-N277 PolarHBondContact OD2-ND2 2.95Å; D206-N277 PolarHBondContact OD2-OD1 2.7Å; N277-F466 CarbonylContact C-O 3.56Å; N277-F466 VanDerWaalsContact CA-O 3.29Å; N277-F466 WeakPolarHBondContact CA-O 3.25Å; N277-F466 HydrophobicContact CB-CB 4.12Å; N277-T468 PolarHBondContact ND2-O 3.38Å; N277-R475 PolarHBondContact OD1-NH2 3.5Å; N277-L501 HydrophobicContact CB-CD1 4.09Å
278	E	98.7	Very high	98.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.083	C	C	.	.			trans	-90.6	3.9	-171.2	73	-85.7	-151.1	0	0	114.5	H122 A229 H231 Q275 A276 D280 V281 F466 L504	H122-E278 IonicContact CD2-OE1 3.71Å; A229-E278 HydrophobicContact CB-CB 4.18Å; H231-E278 PolarHBondContact CE1-O 2.86Å; H231-E278 PolarHBondContact ND1-O 3.32Å; Q275-E278 WeakPolarHBondContact CB-OE1 3.43Å; Q275-E278 WeakPolarHBondContact CG-OE1 3.41Å; Q275-E278 VanDerWaalsContact OE1-CD 3.29Å; Q275-E278 PolarHBondContact OE1-OE1 2.93Å; A276-E278 VanDerWaalsContact C-OE2 3.29Å; A276-E278 PolarHBondContact N-OE2 3.44Å; E278-D280 PolarHBondContact O-N 2.95Å; E278-V281 HydrophobicContact CB-CB 4.29Å; E278-V281 PolarHBondContact O-N 3.22Å; E278-F466 PolarHBondContact N-O 2.75Å; E278-L504 WeakPolarHBondContact OE1-CD1 3.26Å
279	G	98.7	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-30.6	-167	0	0	0	0	0	115.3	R185 F466 Y511 E524	R185-G279 PolarHBondContact NH2-O 3.44Å; G279-F466 WeakPolarHBondContact CA-O 3.38Å; G279-F466 PolarHBondContact N-O 3.26Å; G279-Y511 WeakPolarHBondContact O-CE1 3.46Å; G279-E524 VanDerWaalsContact O-CG 3.25Å; G279-E524 WeakPolarHBondContact O-CG 3.31Å
280	D	98.8	Very high	98.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	21.5	177	61.3	-16.5	0	0	0	113.5	N184 R185 E278 T467 T468 E524	N184-D280 CarbonylContact C-O 3.58Å; N184-D280 VanDerWaalsContact CA-O 3.25Å; N184-D280 WeakPolarHBondContact CA-O 3.29Å; N184-D280 PolarHBondContact ND2-OD2 3.24Å; N184-D280 PolarHBondContact OD1-O 3.01Å; R185-D280 PolarHBondContact N-O 2.61Å; E278-D280 PolarHBondContact O-N 2.95Å; D280-T467 HydrophobicContact CB-CG2 4.19Å; D280-T468 WeakPolarHBondContact OD1-CB 2.77Å; D280-T468 PolarHBondContact OD1-N 3.42Å; D280-T468 PolarHBondContact OD1-OG1 3.17Å; D280-E524 HydrophobicContact CB-CG 4.48Å
281	V	98.9	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.2	-169	-169.7	0	0	0	0	112.1	I183 V205 A229 V230 H231 E278 T468	I183-V281 CarbonylContact O-C 3.59Å; I183-V281 WeakPolarHBondContact O-CA 3.47Å; V205-V281 HydrophobicContact CB-CG1 4.38Å; V205-V281 HydrophobicContact CG1-CG1 4.04Å; V205-V281 HydrophobicContact CG1-CG2 4.26Å; A229-V281 VanDerWaalsContact O-CG1 3.28Å; A229-V281 WeakPolarHBondContact O-CG1 3.29Å; V230-V281 HydrophobicContact CB-CG1 4.42Å; H231-V281 WeakPolarHBondContact CB-O 3.24Å; H231-V281 PolarHBondContact N-O 3.06Å; H231-V281 PolarHBondContact ND1-O 2.79Å; H231-V281 VanDerWaalsContact ND1-O 3.11Å; E278-V281 HydrophobicContact CB-CB 4.29Å; E278-V281 PolarHBondContact O-N 3.22Å; V281-T468 WeakPolarHBondContact CG2-OG1 3.26Å
282	S	98.8	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.7	-178.3	170	0	0	0	0	112.8	S182 I183 N284 D388	S182-S282 CarbonylContact C-O 3.46Å; S182-S282 WeakPolarHBondContact CA-O 3.49Å; I183-S282 PolarHBondContact N-O 2.88Å; I183-S282 PolarHBondContact O-N 2.88Å; S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 WeakPolarHBondContact OG-CB 3.37Å; S282-N284 PolarHBondContact OG-N 3.44Å; S282-D388 VanDerWaalsContact CB-OD1 3.3Å; S282-D388 WeakPolarHBondContact CB-OD1 3.38Å; S282-D388 WeakPolarHBondContact CB-OD2 3.48Å; S282-D388 PolarHBondContact OG-OD1 2.81Å
283	P	98.8	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-79.1	-7.7	169.7	36.1	-37.7	0	0	0	112.9	V230 H231 V233 S234 N246 T285 I327	V230-P283 HydrophobicContact CG2-CB 3.72Å; V230-P283 HydrophobicContact CG2-CG 4.49Å; H231-P283 WeakPolarHBondContact O-CD 3.37Å; H231-P283 VanDerWaalsContact O-CG 3.26Å; H231-P283 WeakPolarHBondContact O-CG 3.35Å; V233-P283 HydrophobicContact CG2-CG 3.57Å; S234-P283 WeakPolarHBondContact OG-CB 3.15Å; N246-P283 WeakPolarHBondContact ND2-CB 3.33Å; P283-T285 PolarHBondContact O-N 3.33Å; P283-I327 HydrophobicContact CB-CG1 4.24Å; P283-I327 HydrophobicContact CB-CG2 4Å; P283-I327 WeakPolarHBondContact O-CD1 3.45Å
284	N	98.6	Very high	97.7	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.043	17%	0.17	C	C	.	.			trans	-82.3	69.2	-173.4	-65.5	-43.8	0	0	0	110.9	I183 S282 A286 G287 A313 Y314 G315 D388	I183-N284 WeakPolarHBondContact CD1-O 3.44Å; S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 WeakPolarHBondContact OG-CB 3.37Å; S282-N284 PolarHBondContact OG-N 3.44Å; N284-A286 PolarHBondContact O-N 3.44Å; N284-A286 VanDerWaalsContact O-N 3.13Å; N284-G287 PolarHBondContact O-N 3.31Å; N284-G287 VanDerWaalsContact O-N 3.11Å; N284-A313 HydrophobicContact CB-CB 3.69Å; N284-Y314 CarbonylContact C-O 3.55Å; N284-Y314 VanDerWaalsContact CA-O 3.32Å; N284-Y314 WeakPolarHBondContact CA-O 2.99Å; N284-Y314 WeakPolarHBondContact CB-O 3.33Å; N284-Y314 VanDerWaalsContact O-O 3.11Å; N284-G315 PolarHBondContact OD1-N 2.9Å; N284-D388 PolarHBondContact ND2-OD1 2.95Å
285	T	98.3	Very high	97.6	Very high	35 Å²	35	33.4 Å²	33.4	22%	0.215	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.7	-166.5	54.6	0	0	0	0	115.6	I183 P283 G287 Y314 I327	I183-T285 HydrophobicContact CG2-CG2 4.39Å; P283-T285 PolarHBondContact O-N 3.33Å; T285-G287 PolarHBondContact O-N 2.94Å; T285-Y314 PolarHBondContact N-O 3.31Å; T285-I327 HydrophobicContact CG2-CD1 4.16Å
286	A	96.9	Very high	97.4	Very high	38 Å²	38	38.4 Å²	38.4	31%	0.314	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.7	174.7	0	0	0	0	0	112.8	N284 R289 Y314	N284-A286 PolarHBondContact O-N 3.44Å; N284-A286 VanDerWaalsContact O-N 3.13Å; A286-R289 PolarHBondContact O-NH2 3.46Å; A286-Y314 VanDerWaalsContact CB-O 3.25Å; A286-Y314 WeakPolarHBondContact CB-O 3.26Å; A286-Y314 PolarHBondContact N-O 3.08Å
287	G	97	Very high	97.4	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.1	166.4	172	0	0	0	0	0	114.3	N284 T285 A313 Y314	N284-G287 PolarHBondContact O-N 3.31Å; N284-G287 VanDerWaalsContact O-N 3.11Å; T285-G287 PolarHBondContact O-N 2.94Å; G287-A313 WeakPolarHBondContact O-CA 3.24Å; G287-Y314 PolarHBondContact O-N 3.39Å
288	P	97.5	Very high	97.3	Very high	50 Å²	50	42.1 Å²	42.1	33%	0.325	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.7	-178.7	31.3	-35.4	0	0	0	113	I312 A313 T387	P288-I312 WeakPolarHBondContact CA-O 3.49Å; P288-A313 HydrophobicContact CB-CB 4.29Å; P288-T387 HydrophobicContact CB-CG2 3.64Å; P288-T387 HydrophobicContact CG-CG2 4.28Å
289	R	97.4	Very high	97.2	Very high	122 Å²	122	47.6 Å²	47.6	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.3	174.8	-58	179.8	-156.5	-103	-7.2	111.1	A286 I291 L295 C297 I312	A286-R289 PolarHBondContact O-NH2 3.46Å; R289-I291 PolarHBondContact O-N 2.83Å; R289-L295 WeakPolarHBondContact CA-O 3.39Å; R289-C297 VanDerWaalsContact C-SG 3.53Å; R289-I312 PolarHBondContact N-O 3.01Å; R289-I312 PolarHBondContact O-N 3.04Å; R289-I312 VanDerWaalsContact O-N 3.09Å
290	C	97.5	Very high	97.1	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.1	171.5	-60.4	0	0	0	0	110.2	D292 T293 G294 L295 C304 N310	C290-D292 WeakPolarHBondContact CB-OD1 3.04Å; C290-D292 PolarHBondContact O-N 3.23Å; C290-T293 WeakPolarHBondContact CB-OG1 3.39Å; C290-T293 PolarHBondContact O-N 3.45Å; C290-G294 VanDerWaalsContact O-CA 3.28Å; C290-G294 WeakPolarHBondContact O-CA 3.28Å; C290-G294 PolarHBondContact O-N 3.42Å; C290-L295 PolarHBondContact N-O 3.19Å; C290-C304 WeakPolarHBondContact CA-SG 3.04Å; C290-C304 HydrophobicContact CB-CB 3.72Å; C290-C304 WeakPolarHBondContact CB-SG 3.09Å; C290-C304 WeakPolarHBondContact SG-CB 3.34Å; C290-C304 CovalentContact SG-SG 2.02Å; C290-C304 PolarHBondContact SG-SG 2.93Å; C290-N310 CarbonylContact C-O 3.51Å; C290-N310 VanDerWaalsContact CA-O 3.25Å; C290-N310 WeakPolarHBondContact CA-O 3.08Å
291	I	95.5	Very high	97	Very high	82 Å²	82	52.7 Å²	52.7	42%	0.421	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.7	-174.6	69.3	-178.4	0	0	0	113.4	R289 N310 I312 Y314	R289-I291 PolarHBondContact O-N 2.83Å; I291-N310 HydrophobicContact CG1-CB 4.15Å; I291-N310 WeakPolarHBondContact CG2-O 2.83Å; I291-N310 PolarHBondContact N-O 3.22Å; I291-I312 HydrophobicContact CD1-CD1 4.46Å; I291-I312 HydrophobicContact CG2-CB 3.98Å; I291-I312 HydrophobicContact CG2-CD1 3.88Å; I291-I312 HydrophobicContact CG2-CG1 3.93Å; I291-Y314 HydrophobicContact CG2-CE2 4.47Å; I291-Y314 WeakPolarHBondContact CG2-OH 3.25Å
292	D	94.5	Very high	96.9	Very high	94 Å²	94	53.1 Å²	53.1	50%	0.503	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-30.7	-178.6	53.6	0.7	0	0	0	113.3	C290 N310	C290-D292 WeakPolarHBondContact CB-OD1 3.04Å; C290-D292 PolarHBondContact O-N 3.23Å; D292-N310 PolarHBondContact OD2-ND2 2.97Å
293	T	95.9	Very high	96.8	Very high	86 Å²	86	53.7 Å²	53.7	53%	0.528	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-17.8	-171.1	55.5	0	0	0	0	114.1	C290 L295	C290-T293 WeakPolarHBondContact CB-OG1 3.39Å; C290-T293 PolarHBondContact O-N 3.45Å; T293-L295 PolarHBondContact O-N 3.27Å
294	G	95.1	Very high	96.6	Very high	47 Å²	47	54 Å²	54	49%	0.485	31%	0.309	S	S	.	.			trans	73.9	-1.1	-172.4	0	0	0	0	0	114.9	C290	C290-G294 VanDerWaalsContact O-CA 3.28Å; C290-G294 WeakPolarHBondContact O-CA 3.28Å; C290-G294 PolarHBondContact O-N 3.42Å
295	L	95.8	Very high	96.3	Very high	108 Å²	108	58 Å²	58	57%	0.565	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.8	158.6	-179.5	-65.4	177.4	0	0	0	111.9	R289 C290 T293	R289-L295 WeakPolarHBondContact CA-O 3.39Å; C290-L295 PolarHBondContact N-O 3.19Å; T293-L295 PolarHBondContact O-N 3.27Å
296	P	96.1	Very high	96	Very high	104 Å²	104	58.5 Å²	58.5	68%	0.675	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-57.9	140.9	169.5	-22	33.6	0	0	0	111.4
297	C	97.5	Very high	95.8	Very high	18 Å²	18	64.3 Å²	64.3	12%	0.122	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66.7	163	171.4	-56.2	0	0	0	0	112.2	R289 F299 C311	R289-C297 VanDerWaalsContact C-SG 3.53Å; C297-F299 PolarHBondContact O-N 2.84Å; C297-C311 HydrophobicContact CB-CB 3.93Å; C297-C311 WeakPolarHBondContact CB-SG 3.26Å; C297-C311 WeakPolarHBondContact SG-CA 3.21Å; C297-C311 WeakPolarHBondContact SG-CB 3.16Å; C297-C311 CovalentContact SG-SG 2.02Å; C297-C311 PolarHBondContact SG-SG 3.47Å
298	D	97.1	Very high	95.7	Very high	69 Å²	69	63.8 Å²	63.8	37%	0.369	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-56.6	129.1	166.6	-177.8	-95.7	0	0	0	111.5	V300 H301 S302 S303	D298-V300 PolarHBondContact O-N 3.03Å; D298-V300 PolarHBondContact OD1-N 3.28Å; D298-V300 VanDerWaalsContact OD1-N 3.17Å; D298-H301 VanDerWaalsContact OD1-CB 3.29Å; D298-H301 WeakPolarHBondContact OD1-CB 3.33Å; D298-H301 IonicContact OD1-CE1 2.95Å; D298-H301 IonicContact OD1-CG 3.29Å; D298-H301 PolarHBondContact OD1-N 3.34Å; D298-H301 IonicContact OD1-ND1 2.61Å; D298-H301 PolarHBondContact OD1-ND1 3.37Å; D298-H301 IonicContact OD2-ND1 3.66Å; D298-S302 VanDerWaalsContact O-CA 3.26Å; D298-S302 WeakPolarHBondContact O-CA 3.46Å; D298-S302 PolarHBondContact O-N 3.32Å; D298-S303 WeakPolarHBondContact CB-O 3.17Å; D298-S303 PolarHBondContact N-O 3.35Å
299	F	96.2	Very high	95.5	Very high	114 Å²	114	63.6 Å²	63.6	50%	0.5	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.6	-170.3	-177.3	-109	0	0	0	113.5	P187 A188 L191 C297	P187-F299 HydrophobicContact CB-CE2 4.01Å; P187-F299 HydrophobicContact CB-CZ 4Å; P187-F299 HydrophobicContact CG-CD2 4.32Å; P187-F299 HydrophobicContact CG-CE2 3.53Å; P187-F299 HydrophobicContact CG-CZ 3.93Å; A188-F299 HydrophobicContact CB-CD1 3.83Å; A188-F299 HydrophobicContact CB-CE1 3.57Å; A188-F299 HydrophobicContact CB-CZ 4.23Å; L191-F299 HydrophobicContact CD1-CE1 4.09Å; L191-F299 HydrophobicContact CD1-CZ 3.95Å; C297-F299 PolarHBondContact O-N 2.84Å
300	V	96.6	Very high	95.3	Very high	45 Å²	45	60.1 Å²	60.1	27%	0.273	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-37.8	-175	175.3	0	0	0	0	111.7	A188 D298 L520 R522	A188-V300 HydrophobicContact CB-CG2 4.12Å; D298-V300 PolarHBondContact O-N 3.03Å; D298-V300 PolarHBondContact OD1-N 3.28Å; D298-V300 VanDerWaalsContact OD1-N 3.17Å; V300-L520 HydrophobicContact CG1-CD1 4.07Å; V300-L520 HydrophobicContact CG1-CD2 4.41Å; V300-L520 HydrophobicContact CG1-CG 4.42Å; V300-R522 VanDerWaalsContact C-NH1 3.34Å; V300-R522 PolarHBondContact O-NH1 2.89Å
301	H	96.9	Very high	95.3	Very high	65 Å²	65	59.7 Å²	59.7	30%	0.301	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-8.4	-171.2	-49.6	96.8	0	0	0	113.6	D298 S303 I396 Q397	D298-H301 VanDerWaalsContact OD1-CB 3.29Å; D298-H301 WeakPolarHBondContact OD1-CB 3.33Å; D298-H301 IonicContact OD1-CE1 2.95Å; D298-H301 IonicContact OD1-CG 3.29Å; D298-H301 PolarHBondContact OD1-N 3.34Å; D298-H301 IonicContact OD1-ND1 2.61Å; D298-H301 PolarHBondContact OD1-ND1 3.37Å; D298-H301 IonicContact OD2-ND1 3.66Å; H301-S303 VanDerWaalsContact C-N 3.32Å; H301-S303 PolarHBondContact O-N 3.41Å; H301-I396 HydrophobicContact CB-CB 4.29Å; H301-I396 HydrophobicContact CB-CD1 4.18Å; H301-Q397 VanDerWaalsContact CA-O 3.31Å; H301-Q397 WeakPolarHBondContact CA-O 3.45Å; H301-Q397 WeakPolarHBondContact CB-O 3.48Å; H301-Q397 PolarHBondContact CD2-O 3.47Å; H301-Q397 PolarHBondContact O-N 3.23Å
302	S	97.1	Very high	95.4	Very high	8 Å²	8	57.2 Å²	57.2	6%	0.056	34%	0.341	C	S	.	.			trans	49.6	52.1	-176.4	-66	0	0	0	0	112.3	D298 C311 R522	D298-S302 VanDerWaalsContact O-CA 3.26Å; D298-S302 WeakPolarHBondContact O-CA 3.46Å; D298-S302 PolarHBondContact O-N 3.32Å; S302-C311 VanDerWaalsContact O-CB 3.24Å; S302-C311 WeakPolarHBondContact O-CB 3.49Å; S302-R522 PolarHBondContact OG-NH1 2.92Å; S302-R522 PolarHBondContact OG-NH2 3.46Å
303	S	96.2	Very high	95.6	Very high	12 Å²	12	53 Å²	53	8%	0.084	32%	0.32	C	S	.	.			trans	-132.3	159.2	-175.6	75	0	0	0	0	111.9	D298 H301 R307	D298-S303 WeakPolarHBondContact CB-O 3.17Å; D298-S303 PolarHBondContact N-O 3.35Å; H301-S303 VanDerWaalsContact C-N 3.32Å; H301-S303 PolarHBondContact O-N 3.41Å; S303-R307 CarbonylContact C-O 3.57Å; S303-R307 VanDerWaalsContact CA-O 3.26Å; S303-R307 WeakPolarHBondContact CA-O 3.45Å; S303-R307 WeakPolarHBondContact CB-O 3.41Å
304	C	95.8	Very high	95.6	Very high	8 Å²	8	54 Å²	54	5%	0.054	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-128.3	118.2	175.2	-60	0	0	0	0	107.4	C290 G306 R307 N310	C290-C304 WeakPolarHBondContact CA-SG 3.04Å; C290-C304 HydrophobicContact CB-CB 3.72Å; C290-C304 WeakPolarHBondContact CB-SG 3.09Å; C290-C304 WeakPolarHBondContact SG-CB 3.34Å; C290-C304 CovalentContact SG-SG 2.02Å; C290-C304 PolarHBondContact SG-SG 2.93Å; C304-G306 PolarHBondContact O-N 2.7Å; C304-R307 PolarHBondContact N-O 3.24Å; C304-R307 PolarHBondContact O-N 2.84Å; C304-R307 VanDerWaalsContact O-N 3.14Å; C304-N310 HydrophobicContact CB-CB 3.79Å
305	G	92.3	Very high	95.8	Very high	91 Å²	91	52.3 Å²	52.3	94%	0.938	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	28.8	-172	0	0	0	0	0	113.8
306	G	91.5	Very high	95.9	Very high	45 Å²	45	49.4 Å²	49.4	46%	0.464	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	14.2	-178.3	0	0	0	0	0	115	C304 I396	C304-G306 PolarHBondContact O-N 2.7Å; G306-I396 WeakPolarHBondContact O-CG2 3.19Å
307	R	92.4	Very high	96	Very high	160 Å²	160	45.4 Å²	45.4	60%	0.604	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-124.8	138.1	177.1	-71.7	-167.6	-179	-152.5	-0.3	111.9	S303 C304	S303-R307 CarbonylContact C-O 3.57Å; S303-R307 VanDerWaalsContact CA-O 3.26Å; S303-R307 WeakPolarHBondContact CA-O 3.45Å; S303-R307 WeakPolarHBondContact CB-O 3.41Å; C304-R307 PolarHBondContact N-O 3.24Å; C304-R307 PolarHBondContact O-N 2.84Å; C304-R307 VanDerWaalsContact O-N 3.14Å
308	T	94	Very high	95.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	29%	0.293	C	S	.	.	S	Bend	trans	-79.3	-28.7	-179.3	50.6	0	0	0	0	112.9	N310 C311 A384 P390 F395 I396	T308-N310 PolarHBondContact O-N 2.93Å; T308-N310 VanDerWaalsContact O-N 3.07Å; T308-C311 PolarHBondContact O-N 2.92Å; T308-A384 HydrophobicContact CG2-CB 4.25Å; T308-P390 WeakPolarHBondContact O-CB 3.2Å; T308-F395 VanDerWaalsContact CG2-O 3.28Å; T308-F395 WeakPolarHBondContact CG2-O 3.41Å; T308-F395 PolarHBondContact OG1-O 3.41Å; T308-I396 HydrophobicContact CG2-CB 4.4Å; T308-I396 HydrophobicContact CG2-CG2 4.26Å
309	Q	93.6	Very high	95.9	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.21	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	-174	-61.1	86.4	-6.1	0	0	113.5	F393	Q309-F393 PolarHBondContact NE2-O 3.31Å
310	N	94.5	Very high	96	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.1	178.7	-73.7	2.5	0	0	0	112.8	C290 I291 D292 C304 T308	C290-N310 CarbonylContact C-O 3.51Å; C290-N310 VanDerWaalsContact CA-O 3.25Å; C290-N310 WeakPolarHBondContact CA-O 3.08Å; I291-N310 HydrophobicContact CG1-CB 4.15Å; I291-N310 WeakPolarHBondContact CG2-O 2.83Å; I291-N310 PolarHBondContact N-O 3.22Å; D292-N310 PolarHBondContact OD2-ND2 2.97Å; C304-N310 HydrophobicContact CB-CB 3.79Å; T308-N310 PolarHBondContact O-N 2.93Å; T308-N310 VanDerWaalsContact O-N 3.07Å
311	C	97.2	Very high	96	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	104.5	179	179.9	0	0	0	0	111.2	C297 S302 T308	C297-C311 HydrophobicContact CB-CB 3.93Å; C297-C311 WeakPolarHBondContact CB-SG 3.26Å; C297-C311 WeakPolarHBondContact SG-CA 3.21Å; C297-C311 WeakPolarHBondContact SG-CB 3.16Å; C297-C311 CovalentContact SG-SG 2.02Å; C297-C311 PolarHBondContact SG-SG 3.47Å; S302-C311 VanDerWaalsContact O-CB 3.24Å; S302-C311 WeakPolarHBondContact O-CB 3.49Å; T308-C311 PolarHBondContact O-N 2.92Å
312	I	97.3	Very high	96.1	Very high	30 Å²	30	46.6 Å²	46.6	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.2	-176.5	-59.5	-176.5	0	0	0	110	P288 R289 I291 Y314 P390	P288-I312 WeakPolarHBondContact CA-O 3.49Å; R289-I312 PolarHBondContact N-O 3.01Å; R289-I312 PolarHBondContact O-N 3.04Å; R289-I312 VanDerWaalsContact O-N 3.09Å; I291-I312 HydrophobicContact CD1-CD1 4.46Å; I291-I312 HydrophobicContact CG2-CB 3.98Å; I291-I312 HydrophobicContact CG2-CD1 3.88Å; I291-I312 HydrophobicContact CG2-CG1 3.93Å; I312-Y314 HydrophobicContact CB-CE2 4.31Å; I312-Y314 HydrophobicContact CG2-CE2 4.42Å; I312-Y314 WeakPolarHBondContact O-CD2 3.45Å; I312-Y314 WeakPolarHBondContact O-CE2 3.24Å; I312-P390 HydrophobicContact CG1-CG 4.34Å
313	A	97.9	Very high	96.1	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.4	168.8	0	0	0	0	0	110.7	N284 G287 P288 T387	N284-A313 HydrophobicContact CB-CB 3.69Å; G287-A313 WeakPolarHBondContact O-CA 3.24Å; P288-A313 HydrophobicContact CB-CB 4.29Å; A313-T387 PolarHBondContact N-O 3.31Å
314	Y	97.3	Very high	96.3	Very high	105 Å²	105	45.9 Å²	45.9	41%	0.412	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.3	-177.3	-68.1	-89.8	0	0	0	111.9	N284 T285 A286 G287 I291 I312	N284-Y314 CarbonylContact C-O 3.55Å; N284-Y314 VanDerWaalsContact CA-O 3.32Å; N284-Y314 WeakPolarHBondContact CA-O 2.99Å; N284-Y314 WeakPolarHBondContact CB-O 3.33Å; N284-Y314 VanDerWaalsContact O-O 3.11Å; T285-Y314 PolarHBondContact N-O 3.31Å; A286-Y314 VanDerWaalsContact CB-O 3.25Å; A286-Y314 WeakPolarHBondContact CB-O 3.26Å; A286-Y314 PolarHBondContact N-O 3.08Å; G287-Y314 PolarHBondContact O-N 3.39Å; I291-Y314 HydrophobicContact CG2-CE2 4.47Å; I291-Y314 WeakPolarHBondContact CG2-OH 3.25Å; I312-Y314 HydrophobicContact CB-CE2 4.31Å; I312-Y314 HydrophobicContact CG2-CE2 4.42Å; I312-Y314 WeakPolarHBondContact O-CD2 3.45Å; I312-Y314 WeakPolarHBondContact O-CE2 3.24Å
315	G	98	Very high	96.4	Very high	13 Å²	13	48.6 Å²	48.6	13%	0.134	28%	0.283	C	S	.	.			trans	-67.7	171.3	168.4	0	0	0	0	0	112.6	N284 G317 S323	N284-G315 PolarHBondContact OD1-N 2.9Å; G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.91Å; G315-S323 WeakPolarHBondContact CA-OG 3.19Å
316	P	98	Very high	96.7	Very high	47 Å²	47	46.4 Å²	46.4	31%	0.305	25%	0.25	S	C	.	.	S	Bend	trans	-77.6	-10.4	-179.2	31.5	-36.9	0	0	0	114.7	I326 I327	P316-I326 HydrophobicContact CB-CD1 4.34Å; P316-I326 HydrophobicContact CB-CG2 4.13Å; P316-I326 HydrophobicContact CG-CB 3.88Å; P316-I326 HydrophobicContact CG-CD1 4.2Å; P316-I326 HydrophobicContact CG-CG2 3.56Å; P316-I327 HydrophobicContact CG-CD1 3.89Å; P316-I327 HydrophobicContact CG-CG1 4.11Å
317	G	97.7	Very high	97	Very high	19 Å²	19	44.3 Å²	44.3	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-92.5	174.3	-178.8	0	0	0	0	0	113.3	G315 D319 S323	G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.91Å; G317-D319 VanDerWaalsContact C-N 3.3Å; G317-S323 WeakPolarHBondContact CA-OG 3.49Å; G317-S323 PolarHBondContact N-OG 3.47Å
318	S	96.3	Very high	97.3	Very high	109 Å²	109	36.7 Å²	36.7	76%	0.762	20%	0.199	S	C	*	.	S	Bend	trans	-71	-25.8	174.5	64.9	0	0	0	0	113.2	E322	S318-E322 WeakPolarHBondContact CB-OE2 3.43Å; S318-E322 PolarHBondContact N-OE2 3.42Å; S318-E322 PolarHBondContact OG-OE2 2.91Å
319	D	96.9	Very high	97.5	Very high	80 Å²	80	38.4 Å²	38.4	43%	0.428	21%	0.205	S	C	.	.	S	Bend	trans	-139.6	-175.7	172.2	70.8	26.1	0	0	0	111.5	G317 F321 E322 S323	G317-D319 VanDerWaalsContact C-N 3.3Å; D319-F321 WeakPolarHBondContact OD1-CA 3.5Å; D319-F321 WeakPolarHBondContact OD1-CB 3.29Å; D319-F321 PolarHBondContact OD1-N 3.41Å; D319-E322 PolarHBondContact OD1-N 2.87Å; D319-S323 VanDerWaalsContact O-CB 3.23Å; D319-S323 WeakPolarHBondContact O-CB 3.39Å; D319-S323 PolarHBondContact O-N 2.82Å; D319-S323 PolarHBondContact O-OG 2.81Å
320	M	97.9	Very high	97.8	Very high	28 Å²	28	38.9 Å²	38.9	14%	0.138	21%	0.207	C	C	.	.	H	α-helix	trans	-69.8	-31.2	179.8	71	-163.2	-45.8	0	0	113.8	M235 N236 N239 T324	M235-M320 HydrophobicContact CB-CE 4.17Å; M235-M320 HydrophobicContact CE-CE 4.09Å; M235-M320 HydrophobicContact CE-CG 4.04Å; M235-M320 HydrophobicContact CE-SD 4.18Å; M235-M320 HydrophobicContact SD-CB 4.44Å; M235-M320 HydrophobicContact SD-CE 4.47Å; M235-M320 HydrophobicContact SD-CG 4.03Å; N236-M320 HydrophobicContact CB-CE 4.12Å; N236-M320 WeakPolarHBondContact O-CE 3.34Å; N236-M320 WeakPolarHBondContact OD1-CE 3.17Å; N239-M320 HydrophobicContact CB-CE 3.54Å; N239-M320 HydrophobicContact CB-SD 4.37Å; M320-T324 VanDerWaalsContact O-CB 3.31Å; M320-T324 WeakPolarHBondContact O-CB 3.35Å; M320-T324 PolarHBondContact O-N 2.74Å; M320-T324 PolarHBondContact O-OG1 2.78Å
321	F	98	Very high	98	Very high	37 Å²	37	36.5 Å²	36.5	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-71.7	-48.2	178.4	-65.4	-86.4	0	0	0	109.3	H61 M235 L241 D319 S323 T324 K325 W645 K648	H61-F321 AromaticContact CE1-CD1 3.54Å; H61-F321 AromaticContact CE1-CE1 3.83Å; H61-F321 AromaticContact ND1-CD1 3.91Å; H61-F321 AromaticContact ND1-CE1 3.75Å; H61-F321 AromaticContact NE2-CD1 3.92Å; M235-F321 HydrophobicContact CE-CD1 3.92Å; M235-F321 HydrophobicContact CE-CE1 3.56Å; M235-F321 HydrophobicContact CE-CE2 4.45Å; M235-F321 HydrophobicContact CE-CZ 3.84Å; M235-F321 HydrophobicContact SD-CD1 4.19Å; M235-F321 HydrophobicContact SD-CE1 4.42Å; L241-F321 HydrophobicContact CD1-CE1 4.37Å; L241-F321 HydrophobicContact CD1-CZ 4.13Å; D319-F321 WeakPolarHBondContact OD1-CA 3.5Å; D319-F321 WeakPolarHBondContact OD1-CB 3.29Å; D319-F321 PolarHBondContact OD1-N 3.41Å; F321-S323 VanDerWaalsContact C-N 3.33Å; F321-S323 PolarHBondContact O-N 2.9Å; F321-T324 WeakPolarHBondContact O-CB 3.4Å; F321-T324 PolarHBondContact O-N 3.15Å; F321-K325 WeakPolarHBondContact O-CB 3.28Å; F321-K325 PolarHBondContact O-N 2.85Å; F321-W645 HydrophobicContact CB-CH2 4.2Å; F321-W645 HydrophobicContact CB-CZ2 4.08Å; F321-W645 WeakPolarHBondContact O-CH2 3.36Å; F321-W645 VanDerWaalsContact O-CZ2 3.3Å; F321-W645 WeakPolarHBondContact O-CZ2 3.38Å; F321-K648 HydrophobicContact CE1-CD 4.21Å; F321-K648 HydrophobicContact CZ-CD 4.3Å
322	E	97.4	Very high	98.1	Very high	82 Å²	82	37.3 Å²	37.3	38%	0.383	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-41.3	175	-171.2	178.4	-165.8	0	0	111.4	S318 D319 T324 K325 I326	S318-E322 WeakPolarHBondContact CB-OE2 3.43Å; S318-E322 PolarHBondContact N-OE2 3.42Å; S318-E322 PolarHBondContact OG-OE2 2.91Å; D319-E322 PolarHBondContact OD1-N 2.87Å; E322-T324 VanDerWaalsContact C-N 3.35Å; E322-T324 PolarHBondContact O-N 3.17Å; E322-K325 WeakPolarHBondContact O-CB 3.35Å; E322-K325 PolarHBondContact O-N 2.73Å; E322-I326 HydrophobicContact CG-CD1 3.87Å; E322-I326 HydrophobicContact CG-CG1 4.34Å; E322-I326 VanDerWaalsContact O-CG1 3.28Å; E322-I326 WeakPolarHBondContact O-CG1 3.26Å; E322-I326 PolarHBondContact O-N 2.87Å
323	S	98.7	Very high	98.1	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-46.1	173.9	-66.2	0	0	0	0	111.9	G315 G317 D319 F321 K325 I326 I327	G315-S323 WeakPolarHBondContact CA-OG 3.19Å; G317-S323 WeakPolarHBondContact CA-OG 3.49Å; G317-S323 PolarHBondContact N-OG 3.47Å; D319-S323 VanDerWaalsContact O-CB 3.23Å; D319-S323 WeakPolarHBondContact O-CB 3.39Å; D319-S323 PolarHBondContact O-N 2.82Å; D319-S323 PolarHBondContact O-OG 2.81Å; F321-S323 VanDerWaalsContact C-N 3.33Å; F321-S323 PolarHBondContact O-N 2.9Å; S323-K325 PolarHBondContact O-N 3.28Å; S323-I326 PolarHBondContact O-N 2.84Å; S323-I327 WeakPolarHBondContact O-CG1 3.23Å; S323-I327 PolarHBondContact O-N 2.8Å
324	T	98.8	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-46.1	175.6	-60.4	0	0	0	0	111.1	S234 M235 N246 L249 M320 F321 E322 I327 A328 W645	S234-T324 WeakPolarHBondContact CB-OG1 3.49Å; M235-T324 HydrophobicContact CG-CG2 4.42Å; M235-T324 WeakPolarHBondContact CG-OG1 3.33Å; M235-T324 PolarHBondContact SD-OG1 3.37Å; N246-T324 HydrophobicContact CB-CG2 4.33Å; L249-T324 HydrophobicContact CD2-CG2 4.4Å; M320-T324 VanDerWaalsContact O-CB 3.31Å; M320-T324 WeakPolarHBondContact O-CB 3.35Å; M320-T324 PolarHBondContact O-N 2.74Å; M320-T324 PolarHBondContact O-OG1 2.78Å; F321-T324 WeakPolarHBondContact O-CB 3.4Å; F321-T324 PolarHBondContact O-N 3.15Å; E322-T324 VanDerWaalsContact C-N 3.35Å; E322-T324 PolarHBondContact O-N 3.17Å; T324-I327 PolarHBondContact O-N 2.78Å; T324-A328 WeakPolarHBondContact O-CB 3.47Å; T324-A328 PolarHBondContact O-N 3.11Å; T324-W645 HydrophobicContact CG2-CH2 4.2Å; T324-W645 HydrophobicContact CG2-CZ3 4.06Å
325	K	98.3	Very high	98.2	Very high	65 Å²	65	38.8 Å²	38.8	28%	0.283	21%	0.206	S	C	.	.	H	α-helix	trans	-57.6	-51.3	175.4	-179.6	-178.5	176.3	-179.6	0	111.7	L249 F321 E322 S323 I327 A328 Y329 W645 I675	L249-K325 HydrophobicContact CD2-CB 4.5Å; F321-K325 WeakPolarHBondContact O-CB 3.28Å; F321-K325 PolarHBondContact O-N 2.85Å; E322-K325 WeakPolarHBondContact O-CB 3.35Å; E322-K325 PolarHBondContact O-N 2.73Å; S323-K325 PolarHBondContact O-N 3.28Å; K325-I327 PolarHBondContact O-N 3.5Å; K325-A328 PolarHBondContact O-N 3.44Å; K325-Y329 HydrophobicContact CD-CE2 4.39Å; K325-Y329 HydrophobicContact CG-CD2 3.76Å; K325-Y329 HydrophobicContact CG-CE2 3.84Å; K325-Y329 WeakPolarHBondContact O-CD2 3.42Å; K325-Y329 PolarHBondContact O-N 2.84Å; K325-W645 HydrophobicContact CB-CH2 4.09Å; K325-W645 HydrophobicContact CB-CZ2 3.8Å; K325-I675 HydrophobicContact CD-CD1 4.36Å; K325-I675 HydrophobicContact CD-CG1 3.97Å; K325-I675 WeakPolarHBondContact CE-O 3.35Å; K325-I675 HydrophobicContact CG-CD1 4.1Å; K325-I675 HydrophobicContact CG-CG1 4.21Å; K325-I675 PolarHBondContact NZ-O 3.44Å
326	I	98.7	Very high	98.3	Very high	46 Å²	46	40.8 Å²	40.8	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-45.3	-177.1	-68.7	165.5	0	0	0	111.2	P316 E322 S323 Y329 K330	P316-I326 HydrophobicContact CB-CD1 4.34Å; P316-I326 HydrophobicContact CB-CG2 4.13Å; P316-I326 HydrophobicContact CG-CB 3.88Å; P316-I326 HydrophobicContact CG-CD1 4.2Å; P316-I326 HydrophobicContact CG-CG2 3.56Å; E322-I326 HydrophobicContact CG-CD1 3.87Å; E322-I326 HydrophobicContact CG-CG1 4.34Å; E322-I326 VanDerWaalsContact O-CG1 3.28Å; E322-I326 WeakPolarHBondContact O-CG1 3.26Å; E322-I326 PolarHBondContact O-N 2.87Å; S323-I326 PolarHBondContact O-N 2.84Å; I326-Y329 PolarHBondContact O-N 2.81Å; I326-K330 HydrophobicContact CG2-CD 4.33Å; I326-K330 WeakPolarHBondContact O-CG 3.34Å; I326-K330 PolarHBondContact O-N 2.86Å; I326-K330 VanDerWaalsContact O-N 3.12Å
327	I	98.8	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-37.8	179.7	-60.9	-63	0	0	0	111.1	N246 P283 T285 P316 S323 T324 K325 K330 Q331	N246-I327 HydrophobicContact CB-CB 4.09Å; N246-I327 HydrophobicContact CB-CG2 3.84Å; P283-I327 HydrophobicContact CB-CG1 4.24Å; P283-I327 HydrophobicContact CB-CG2 4Å; P283-I327 WeakPolarHBondContact O-CD1 3.45Å; T285-I327 HydrophobicContact CG2-CD1 4.16Å; P316-I327 HydrophobicContact CG-CD1 3.89Å; P316-I327 HydrophobicContact CG-CG1 4.11Å; S323-I327 WeakPolarHBondContact O-CG1 3.23Å; S323-I327 PolarHBondContact O-N 2.8Å; T324-I327 PolarHBondContact O-N 2.78Å; K325-I327 PolarHBondContact O-N 3.5Å; I327-K330 PolarHBondContact O-N 3.28Å; I327-Q331 PolarHBondContact O-N 2.65Å
328	A	98.8	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-46.5	173.9	0	0	0	0	0	112.4	N246 L249 A250 L253 T324 K325 K330 Q331 F332	N246-A328 WeakPolarHBondContact O-CA 3.47Å; N246-A328 WeakPolarHBondContact O-CB 3.4Å; L249-A328 HydrophobicContact CB-CB 3.78Å; L249-A328 HydrophobicContact CD2-CB 3.61Å; L249-A328 HydrophobicContact CG-CB 3.74Å; A250-A328 HydrophobicContact CB-CB 4.27Å; L253-A328 HydrophobicContact CD1-CB 4.47Å; T324-A328 WeakPolarHBondContact O-CB 3.47Å; T324-A328 PolarHBondContact O-N 3.11Å; K325-A328 PolarHBondContact O-N 3.44Å; A328-K330 VanDerWaalsContact C-N 3.34Å; A328-K330 PolarHBondContact O-N 3.39Å; A328-Q331 PolarHBondContact O-N 3.18Å; A328-F332 WeakPolarHBondContact O-CB 3.24Å; A328-F332 PolarHBondContact O-N 2.87Å
329	Y	98.5	Very high	98.5	Very high	39 Å²	39	35.8 Å²	35.8	15%	0.153	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-44	177.3	-97.6	-84.2	0	0	0	111.9	L253 K325 I326 Q331 F332 E333 I675 D676	L253-Y329 HydrophobicContact CD1-CD2 4.05Å; L253-Y329 HydrophobicContact CD1-CE2 4.01Å; L253-Y329 HydrophobicContact CD1-CG 4.34Å; L253-Y329 HydrophobicContact CD2-CE2 4.43Å; K325-Y329 HydrophobicContact CD-CE2 4.39Å; K325-Y329 HydrophobicContact CG-CD2 3.76Å; K325-Y329 HydrophobicContact CG-CE2 3.84Å; K325-Y329 WeakPolarHBondContact O-CD2 3.42Å; K325-Y329 PolarHBondContact O-N 2.84Å; I326-Y329 PolarHBondContact O-N 2.81Å; Y329-Q331 VanDerWaalsContact C-N 3.28Å; Y329-Q331 PolarHBondContact O-N 3.23Å; Y329-F332 HydrophobicContact CD1-CD1 4.16Å; Y329-F332 HydrophobicContact CE1-CD1 4.47Å; Y329-F332 PolarHBondContact O-N 3.25Å; Y329-E333 WeakPolarHBondContact O-CB 3.21Å; Y329-E333 WeakPolarHBondContact O-CG 3.38Å; Y329-E333 PolarHBondContact O-N 3.18Å; Y329-I675 HydrophobicContact CE2-CD1 4.03Å; Y329-I675 HydrophobicContact CE2-CG1 3.89Å; Y329-D676 PolarHBondContact OH-OD1 2.84Å
330	K	98.7	Very high	98.5	Very high	55 Å²	55	36 Å²	36	24%	0.239	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-43.9	176	-75.5	173.4	179.7	171.5	0	111.9	L178 N180 A181 I326 I327 A328 K334	L178-K330 HydrophobicContact CD1-CB 4.3Å; N180-K330 WeakPolarHBondContact O-CD 3.25Å; N180-K330 WeakPolarHBondContact O-CE 3.48Å; N180-K330 PolarHBondContact O-NZ 2.68Å; A181-K330 HydrophobicContact CB-CB 4.23Å; A181-K330 HydrophobicContact CB-CD 4.3Å; I326-K330 HydrophobicContact CG2-CD 4.33Å; I326-K330 WeakPolarHBondContact O-CG 3.34Å; I326-K330 PolarHBondContact O-N 2.86Å; I326-K330 VanDerWaalsContact O-N 3.12Å; I327-K330 PolarHBondContact O-N 3.28Å; A328-K330 VanDerWaalsContact C-N 3.34Å; A328-K330 PolarHBondContact O-N 3.39Å; K330-K334 WeakPolarHBondContact O-CB 3.37Å; K330-K334 PolarHBondContact O-N 3.29Å
331	Q	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-48.3	175.8	-70.9	-178.7	89.8	0	0	111.6	L178 M209 F228 N246 A250 F273 I327 A328 Y329 K334 A335	L178-Q331 HydrophobicContact CD2-CB 4.44Å; L178-Q331 HydrophobicContact CD2-CG 3.88Å; M209-Q331 HydrophobicContact CE-CB 4.25Å; M209-Q331 HydrophobicContact CE-CG 4.35Å; F228-Q331 HydrophobicContact CD1-CG 4.15Å; F228-Q331 HydrophobicContact CE1-CG 4.46Å; N246-Q331 PolarHBondContact OD1-NE2 3.48Å; A250-Q331 HydrophobicContact CB-CB 4.05Å; F273-Q331 HydrophobicContact CD1-CB 4.11Å; F273-Q331 HydrophobicContact CE1-CB 3.88Å; I327-Q331 PolarHBondContact O-N 2.65Å; A328-Q331 PolarHBondContact O-N 3.18Å; Y329-Q331 VanDerWaalsContact C-N 3.28Å; Y329-Q331 PolarHBondContact O-N 3.23Å; Q331-K334 PolarHBondContact O-N 3.13Å; Q331-A335 VanDerWaalsContact O-CB 3.31Å; Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 3.46Å
332	F	98.6	Very high	98.5	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-49.3	179.7	161.5	-104.6	0	0	0	112.4	A250 L253 F254 K257 A328 Y329 K334 A335 W336	A250-F332 HydrophobicContact CB-CB 4.3Å; L253-F332 HydrophobicContact CB-CB 4.42Å; L253-F332 HydrophobicContact CB-CD1 4.45Å; L253-F332 HydrophobicContact CB-CD2 3.91Å; L253-F332 HydrophobicContact CB-CE2 4.34Å; L253-F332 HydrophobicContact CB-CG 3.98Å; L253-F332 HydrophobicContact CD1-CB 4.26Å; L253-F332 HydrophobicContact CD1-CG 4.37Å; F254-F332 HydrophobicContact CB-CD2 3.99Å; F254-F332 HydrophobicContact CB-CE2 4.15Å; F254-F332 AromaticContact CD2-CD2 3.81Å; F254-F332 HydrophobicContact CD2-CD2 3.81Å; F254-F332 AromaticContact CD2-CE2 3.98Å; F254-F332 HydrophobicContact CD2-CE2 3.98Å; F254-F332 HydrophobicContact CG-CD2 4.23Å; F254-F332 HydrophobicContact CG-CE2 4.21Å; K257-F332 HydrophobicContact CD-CE2 4.29Å; K257-F332 HydrophobicContact CD-CZ 3.71Å; A328-F332 WeakPolarHBondContact O-CB 3.24Å; A328-F332 PolarHBondContact O-N 2.87Å; Y329-F332 HydrophobicContact CD1-CD1 4.16Å; Y329-F332 HydrophobicContact CE1-CD1 4.47Å; Y329-F332 PolarHBondContact O-N 3.25Å; F332-K334 PolarHBondContact O-N 3.25Å; F332-A335 PolarHBondContact O-N 2.65Å; F332-W336 HydrophobicContact CE2-CB 4.46Å; F332-W336 HydrophobicContact CE2-CE3 4.08Å; F332-W336 HydrophobicContact CZ-CE3 4.42Å; F332-W336 VanDerWaalsContact O-CB 3.26Å; F332-W336 WeakPolarHBondContact O-CB 3.2Å; F332-W336 PolarHBondContact O-N 2.75Å
333	E	98.5	Very high	98.3	Very high	122 Å²	122	40 Å²	40	57%	0.57	20%	0.204	S	C	*	.	H	α-helix	trans	-63.4	-42.2	-178.8	-73.5	-172.3	144.6	0	0	111.8	Y329 W336 S337	Y329-E333 WeakPolarHBondContact O-CB 3.21Å; Y329-E333 WeakPolarHBondContact O-CG 3.38Å; Y329-E333 PolarHBondContact O-N 3.18Å; E333-W336 PolarHBondContact O-N 2.73Å; E333-S337 WeakPolarHBondContact O-CB 3.31Å; E333-S337 PolarHBondContact O-N 3.33Å
334	K	98.8	Very high	98.2	Very high	50 Å²	50	43.6 Å²	43.6	22%	0.217	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-48.7	175.1	-177.2	69.2	-175.6	-165.7	0	110.8	G176 D177 L178 M209 K330 Q331 F332 W336 S337 L338	G176-K334 VanDerWaalsContact C-CE 3.44Å; G176-K334 VanDerWaalsContact O-CE 3.22Å; G176-K334 WeakPolarHBondContact O-CE 3.16Å; D177-K334 WeakPolarHBondContact O-CE 3.36Å; D177-K334 PolarHBondContact O-NZ 3.4Å; L178-K334 HydrophobicContact CB-CG 4.17Å; L178-K334 HydrophobicContact CD1-CB 4.01Å; L178-K334 HydrophobicContact CD1-CG 4.44Å; L178-K334 HydrophobicContact CD2-CB 4.46Å; M209-K334 HydrophobicContact CB-CG 4.36Å; M209-K334 HydrophobicContact CE-CB 4.25Å; M209-K334 HydrophobicContact CE-CG 4.29Å; M209-K334 HydrophobicContact SD-CB 3.93Å; M209-K334 HydrophobicContact SD-CG 3.65Å; K330-K334 WeakPolarHBondContact O-CB 3.37Å; K330-K334 PolarHBondContact O-N 3.29Å; Q331-K334 PolarHBondContact O-N 3.13Å; F332-K334 PolarHBondContact O-N 3.25Å; K334-W336 VanDerWaalsContact C-N 3.27Å; K334-W336 PolarHBondContact O-N 3.04Å; K334-S337 WeakPolarHBondContact O-CB 3.45Å; K334-S337 PolarHBondContact O-N 2.85Å; K334-L338 HydrophobicContact CG-CD1 4.27Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 WeakPolarHBondContact O-CG 3.13Å; K334-L338 PolarHBondContact O-N 2.85Å
335	A	98.8	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-39.7	177	0	0	0	0	0	111.5	M209 L211 M224 F254 F273 Q331 F332 L338 F339	M209-A335 HydrophobicContact SD-CB 3.98Å; L211-A335 HydrophobicContact CD1-CB 4.14Å; L211-A335 WeakPolarHBondContact CD1-O 3.46Å; M224-A335 HydrophobicContact CE-CB 3.78Å; F254-A335 HydrophobicContact CD2-CB 4.36Å; F254-A335 HydrophobicContact CE2-CB 4.1Å; F273-A335 HydrophobicContact CE1-CB 3.92Å; F273-A335 HydrophobicContact CZ-CB 3.76Å; Q331-A335 VanDerWaalsContact O-CB 3.31Å; Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 3.46Å; F332-A335 PolarHBondContact O-N 2.65Å; A335-L338 PolarHBondContact O-N 3.35Å; A335-F339 WeakPolarHBondContact O-CB 3.41Å; A335-F339 PolarHBondContact O-N 3.37Å
336	W	98.7	Very high	98	Very high	56 Å²	56	44.6 Å²	44.6	21%	0.212	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-44	177	-171	-101.7	0	0	0	111.6	F254 K257 M258 F332 E333 K334 F339 N340	F254-W336 HydrophobicContact CD1-CE3 4.27Å; F254-W336 HydrophobicContact CD1-CZ3 4.15Å; F254-W336 HydrophobicContact CD2-CE3 4.14Å; F254-W336 AromaticContact CE1-CE3 3.8Å; F254-W336 HydrophobicContact CE1-CE3 3.8Å; F254-W336 AromaticContact CE1-CZ3 3.69Å; F254-W336 HydrophobicContact CE1-CZ3 3.69Å; F254-W336 HydrophobicContact CE2-CB 4.33Å; F254-W336 AromaticContact CE2-CE3 3.69Å; F254-W336 HydrophobicContact CE2-CE3 3.69Å; F254-W336 HydrophobicContact CE2-CZ3 4.42Å; F254-W336 HydrophobicContact CG-CE3 4.43Å; F254-W336 AromaticContact CZ-CE3 3.49Å; F254-W336 HydrophobicContact CZ-CE3 3.49Å; F254-W336 VanDerWaalsContact CZ-CE3 3.49Å; F254-W336 AromaticContact CZ-CZ3 3.85Å; F254-W336 HydrophobicContact CZ-CZ3 3.85Å; K257-W336 HydrophobicContact CB-CZ3 4.28Å; K257-W336 HydrophobicContact CD-CD2 4.03Å; K257-W336 HydrophobicContact CD-CE3 3.9Å; K257-W336 HydrophobicContact CD-CH2 3.61Å; K257-W336 HydrophobicContact CD-CZ2 3.73Å; K257-W336 HydrophobicContact CD-CZ3 3.69Å; K257-W336 VanDerWaalsContact CE-CE2 3.47Å; K257-W336 HydrophobicContact CG-CH2 3.68Å; K257-W336 HydrophobicContact CG-CZ2 4.19Å; K257-W336 HydrophobicContact CG-CZ3 3.88Å; M258-W336 HydrophobicContact CG-CH2 4.5Å; M258-W336 HydrophobicContact CG-CZ3 4.06Å; M258-W336 HydrophobicContact SD-CH2 3.63Å; M258-W336 HydrophobicContact SD-CZ3 3.69Å; F332-W336 HydrophobicContact CE2-CB 4.46Å; F332-W336 HydrophobicContact CE2-CE3 4.08Å; F332-W336 HydrophobicContact CZ-CE3 4.42Å; F332-W336 VanDerWaalsContact O-CB 3.26Å; F332-W336 WeakPolarHBondContact O-CB 3.2Å; F332-W336 PolarHBondContact O-N 2.75Å; E333-W336 PolarHBondContact O-N 2.73Å; K334-W336 VanDerWaalsContact C-N 3.27Å; K334-W336 PolarHBondContact O-N 3.04Å; W336-F339 PolarHBondContact O-N 3.21Å; W336-N340 VanDerWaalsContact CD1-ND2 3.3Å; W336-N340 PolarHBondContact NE1-ND2 3.19Å; W336-N340 PolarHBondContact O-N 3.12Å; W336-N340 VanDerWaalsContact O-N 3.1Å; W336-N340 PolarHBondContact O-ND2 3.11Å
337	S	98.7	Very high	97.7	Very high	54 Å²	54	45.8 Å²	45.8	38%	0.378	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-48.6	173.9	-179.6	0	0	0	0	111.8	E333 K334 F339 N340 N341	E333-S337 WeakPolarHBondContact O-CB 3.31Å; E333-S337 PolarHBondContact O-N 3.33Å; K334-S337 WeakPolarHBondContact O-CB 3.45Å; K334-S337 PolarHBondContact O-N 2.85Å; S337-F339 PolarHBondContact O-N 2.95Å; S337-N340 PolarHBondContact O-N 3.14Å; S337-N341 WeakPolarHBondContact O-CB 3.26Å; S337-N341 PolarHBondContact O-N 2.81Å; S337-N341 VanDerWaalsContact O-N 3.12Å; S337-N341 PolarHBondContact O-ND2 3.4Å
338	L	98.8	Very high	97.5	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-44	177.3	-67.2	179.2	0	0	0	111.9	A174 E175 M209 L211 K334 A335 N340 N341 A342	A174-L338 HydrophobicContact CB-CB 3.9Å; A174-L338 HydrophobicContact CB-CD2 4.16Å; A174-L338 VanDerWaalsContact CB-O 3.26Å; A174-L338 WeakPolarHBondContact CB-O 3.34Å; E175-L338 VanDerWaalsContact O-CD2 3.28Å; E175-L338 WeakPolarHBondContact O-CD2 3.35Å; M209-L338 HydrophobicContact CB-CD1 4.06Å; M209-L338 HydrophobicContact CG-CD1 3.79Å; M209-L338 WeakPolarHBondContact O-CD1 3.31Å; M209-L338 HydrophobicContact SD-CD1 4.02Å; L211-L338 HydrophobicContact CB-CB 4.14Å; L211-L338 HydrophobicContact CB-CD1 4.28Å; L211-L338 HydrophobicContact CD1-CB 4.25Å; K334-L338 HydrophobicContact CG-CD1 4.27Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 WeakPolarHBondContact O-CG 3.13Å; K334-L338 PolarHBondContact O-N 2.85Å; A335-L338 PolarHBondContact O-N 3.35Å; L338-N340 VanDerWaalsContact C-N 3.34Å; L338-N340 PolarHBondContact O-N 3.15Å; L338-N341 CarbonylContact O-C 3.49Å; L338-N341 PolarHBondContact O-N 2.99Å; L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.7Å
339	F	98.7	Very high	97.3	Very high	5 Å²	5	50 Å²	50	2%	0.022	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-38.5	179.6	178.2	-91.7	0	0	0	113.3	L211 K213 P221 M224 F254 M258 F269 A335 W336 S337	L211-F339 HydrophobicContact CD1-CB 4.03Å; L211-F339 HydrophobicContact CD2-CB 4.27Å; L211-F339 HydrophobicContact CD2-CD2 4.38Å; K213-F339 HydrophobicContact CB-CD2 4.04Å; K213-F339 HydrophobicContact CB-CE2 4.26Å; K213-F339 HydrophobicContact CD-CD2 3.73Å; K213-F339 HydrophobicContact CD-CE2 3.76Å; K213-F339 HydrophobicContact CD-CG 4.15Å; K213-F339 HydrophobicContact CD-CZ 4.2Å; K213-F339 WeakPolarHBondContact CD-O 3.37Å; K213-F339 HydrophobicContact CG-CD2 3.77Å; K213-F339 HydrophobicContact CG-CE2 3.58Å; K213-F339 HydrophobicContact CG-CZ 4.35Å; K213-F339 PolarHBondContact NZ-O 2.98Å; P221-F339 HydrophobicContact CB-CE1 4.41Å; P221-F339 HydrophobicContact CB-CE2 4.23Å; P221-F339 HydrophobicContact CB-CZ 3.5Å; P221-F339 HydrophobicContact CG-CE1 4.31Å; P221-F339 HydrophobicContact CG-CZ 3.86Å; M224-F339 HydrophobicContact CB-CD2 4.07Å; M224-F339 HydrophobicContact CB-CE2 4.23Å; M224-F339 HydrophobicContact CG-CD2 4.39Å; F254-F339 HydrophobicContact CE1-CD2 4.3Å; F254-F339 HydrophobicContact CE1-CE2 4.36Å; F254-F339 HydrophobicContact CE1-CG 4.35Å; F254-F339 HydrophobicContact CE1-CZ 4.48Å; F254-F339 HydrophobicContact CE2-CB 4.38Å; F254-F339 HydrophobicContact CZ-CB 3.78Å; F254-F339 HydrophobicContact CZ-CD1 4.06Å; F254-F339 AromaticContact CZ-CD2 3.87Å; F254-F339 HydrophobicContact CZ-CD2 3.87Å; F254-F339 HydrophobicContact CZ-CE2 4.38Å; F254-F339 AromaticContact CZ-CG 3.66Å; F254-F339 HydrophobicContact CZ-CG 3.66Å; M258-F339 HydrophobicContact CE-CE1 4.3Å; M258-F339 HydrophobicContact CE-CZ 4.02Å; M258-F339 HydrophobicContact SD-CE1 4.32Å; M258-F339 HydrophobicContact SD-CZ 4.44Å; F269-F339 AromaticContact CE2-CE2 3.96Å; F269-F339 HydrophobicContact CE2-CE2 3.96Å; F269-F339 AromaticContact CE2-CZ 3.88Å; F269-F339 HydrophobicContact CE2-CZ 3.88Å; F269-F339 AromaticContact CZ-CE2 3.71Å; F269-F339 HydrophobicContact CZ-CE2 3.71Å; F269-F339 AromaticContact CZ-CZ 3.92Å; F269-F339 HydrophobicContact CZ-CZ 3.92Å; A335-F339 WeakPolarHBondContact O-CB 3.41Å; A335-F339 PolarHBondContact O-N 3.37Å; W336-F339 PolarHBondContact O-N 3.21Å; S337-F339 PolarHBondContact O-N 2.95Å
340	N	98.3	Very high	97.2	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-73.4	-30.7	177.2	-70.2	-40.6	0	0	0	112.4	W336 S337 L338	W336-N340 VanDerWaalsContact CD1-ND2 3.3Å; W336-N340 PolarHBondContact NE1-ND2 3.19Å; W336-N340 PolarHBondContact O-N 3.12Å; W336-N340 VanDerWaalsContact O-N 3.1Å; W336-N340 PolarHBondContact O-ND2 3.11Å; S337-N340 PolarHBondContact O-N 3.14Å; L338-N340 VanDerWaalsContact C-N 3.34Å; L338-N340 PolarHBondContact O-N 3.15Å
341	N	97.7	Very high	97.1	Very high	109 Å²	109	49.2 Å²	49.2	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-95.6	-0.7	-177.8	-64.5	-37.6	0	0	0	114	S337 L338 T343	S337-N341 WeakPolarHBondContact O-CB 3.26Å; S337-N341 PolarHBondContact O-N 2.81Å; S337-N341 VanDerWaalsContact O-N 3.12Å; S337-N341 PolarHBondContact O-ND2 3.4Å; L338-N341 CarbonylContact O-C 3.49Å; L338-N341 PolarHBondContact O-N 2.99Å; N341-T343 PolarHBondContact O-N 3.26Å
342	A	97.7	Very high	97.1	Very high	7 Å²	7	51.5 Å²	51.5	6%	0.058	28%	0.28	C	S	.	.			trans	-65.3	115.9	-179.4	0	0	0	0	0	111.7	L172 A174 K213 L338	L172-A342 HydrophobicContact CB-CB 4.01Å; A174-A342 HydrophobicContact CB-CB 3.81Å; K213-A342 HydrophobicContact CB-CB 4.32Å; K213-A342 HydrophobicContact CD-CB 4.08Å; L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.7Å
343	T	93.9	Very high	97.1	Very high	117 Å²	117	51.2 Å²	51.2	72%	0.718	28%	0.279	S	S	*	.			trans	-132.7	-22	-176.2	48.8	0	0	0	0	113.3	N341 E345	N341-T343 PolarHBondContact O-N 3.26Å; T343-E345 PolarHBondContact O-N 3.35Å
344	T	96.5	Very high	97.1	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107.7	178.5	-59	0	0	0	0	110.1	L172 K173	L172-T344 CarbonylContact C-O 3.47Å; L172-T344 WeakPolarHBondContact CA-O 3.48Å; K173-T344 PolarHBondContact N-O 3.45Å
345	E	96.3	Very high	97	Very high	78 Å²	78	44.8 Å²	44.8	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.1	176.9	-166.5	174.4	132.1	0	0	111.1	K170 I171 L172 T343 N347	K170-E345 WeakPolarHBondContact CD-OE2 3.28Å; I171-E345 WeakPolarHBondContact O-CA 3.32Å; L172-E345 HydrophobicContact CD2-CB 4Å; L172-E345 HydrophobicContact CD2-CG 4.16Å; T343-E345 PolarHBondContact O-N 3.35Å; E345-N347 PolarHBondContact OE1-ND2 3.15Å; E345-N347 PolarHBondContact OE1-OD1 3.03Å
346	I	95.9	Very high	97	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.046	25%	0.254	C	S	.	.			trans	-94.6	113.1	176.9	-56.5	-58.7	0	0	0	108.8	Y29 I171 K173 I454 L457	Y29-I346 WeakPolarHBondContact CE2-O 3.43Å; Y29-I346 PolarHBondContact OH-O 2.76Å; I171-I346 HydrophobicContact CB-CB 4.39Å; I171-I346 HydrophobicContact CG2-CB 4.38Å; I171-I346 HydrophobicContact CG2-CG1 4.47Å; I171-I346 PolarHBondContact O-N 3.41Å; K173-I346 HydrophobicContact CB-CD1 3.76Å; K173-I346 HydrophobicContact CB-CG1 3.87Å; K173-I346 HydrophobicContact CD-CD1 4Å; I346-I454 HydrophobicContact CG2-CB 4.14Å; I346-I454 HydrophobicContact CG2-CG2 3.79Å; I346-I454 VanDerWaalsContact CG2-O 3.31Å; I346-I454 WeakPolarHBondContact CG2-O 3.38Å; I346-L457 HydrophobicContact CG1-CD2 4.44Å; I346-L457 HydrophobicContact CG2-CB 4.11Å; I346-L457 HydrophobicContact CG2-CD2 4.39Å
347	N	92.9	Very high	96.9	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	25%	0.247	S	C	.	.			trans	-124	148.6	-177.3	-74.5	-31.2	0	0	0	112.1	Y29 E345 P456	Y29-N347 VanDerWaalsContact OH-C 3.3Å; Y29-N347 WeakPolarHBondContact OH-CA 2.93Å; E345-N347 PolarHBondContact OE1-ND2 3.15Å; E345-N347 PolarHBondContact OE1-OD1 3.03Å; N347-P456 WeakPolarHBondContact O-CD 3.27Å
348	G	93.4	Very high	96.9	Very high	24 Å²	24	44.3 Å²	44.3	25%	0.247	25%	0.246	C	C	.	.	S	Bend	trans	138.7	-172.7	175.1	0	0	0	0	0	112.8	Y29	Y29-G348 WeakPolarHBondContact CE1-O 3.47Å; Y29-G348 PolarHBondContact OH-N 3.28Å; Y29-G348 VanDerWaalsContact OH-N 3.08Å; Y29-G348 PolarHBondContact OH-O 3.17Å
349	T	94.6	Very high	96.9	Very high	65 Å²	65	43.8 Å²	43.8	40%	0.399	24%	0.243	S	C	.	.			trans	-70.7	146.4	-178.8	52.6	0	0	0	0	112	N351 G455	T349-N351 PolarHBondContact OG1-ND2 2.59Å; T349-N351 VanDerWaalsContact OG1-ND2 3.07Å; T349-G455 PolarHBondContact O-N 2.78Å
350	V	97.2	Very high	96.8	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.7	171.8	175.9	0	0	0	0	108.8	Y29 I71 E73 I80 S453	Y29-V350 HydrophobicContact CD1-CG2 3.86Å; Y29-V350 HydrophobicContact CE1-CG2 3.79Å; I71-V350 HydrophobicContact CG2-CG2 3.98Å; E73-V350 HydrophobicContact CB-CB 4.44Å; E73-V350 HydrophobicContact CB-CG2 4.31Å; I80-V350 HydrophobicContact CB-CG1 4.17Å; I80-V350 HydrophobicContact CD1-CG1 4.13Å; I80-V350 HydrophobicContact CG1-CG1 3.75Å; I80-V350 HydrophobicContact CG2-CG1 3.62Å; V350-S453 WeakPolarHBondContact CA-O 3.44Å
351	N	97.1	Very high	96.7	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	170.9	179.7	-64.1	-53.9	0	0	0	111.1	T349 S453 L549	T349-N351 PolarHBondContact OG1-ND2 2.59Å; T349-N351 VanDerWaalsContact OG1-ND2 3.07Å; N351-S453 WeakPolarHBondContact CB-OG 3.43Å; N351-S453 PolarHBondContact N-O 2.8Å; N351-S453 VanDerWaalsContact N-O 3.09Å; N351-S453 PolarHBondContact N-OG 2.82Å; N351-S453 PolarHBondContact O-N 3.37Å; N351-S453 PolarHBondContact O-OG 3.24Å; N351-L549 HydrophobicContact CB-CD1 3.79Å
352	F	97.9	Very high	96.7	Very high	49 Å²	49	42.2 Å²	42.2	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155	175.6	51.7	-96.4	0	0	0	110.1	Q78 I80 Q114 N115 I451 V452 L549	Q78-F352 HydrophobicContact CB-CE1 3.75Å; Q78-F352 HydrophobicContact CB-CZ 4.11Å; Q78-F352 HydrophobicContact CG-CZ 4.46Å; I80-F352 HydrophobicContact CG2-CB 4.25Å; I80-F352 HydrophobicContact CG2-CD1 3.88Å; Q114-F352 HydrophobicContact CB-CD2 3.48Å; Q114-F352 VanDerWaalsContact CB-CD2 3.48Å; Q114-F352 HydrophobicContact CB-CE2 3.54Å; Q114-F352 WeakPolarHBondContact O-CB 3.24Å; Q114-F352 WeakPolarHBondContact O-CD2 3.47Å; N115-F352 HydrophobicContact CB-CD1 3.46Å; N115-F352 VanDerWaalsContact CB-CD1 3.46Å; N115-F352 HydrophobicContact CB-CD2 4.11Å; N115-F352 HydrophobicContact CB-CE1 3.51Å; N115-F352 HydrophobicContact CB-CE2 4.14Å; N115-F352 HydrophobicContact CB-CG 3.76Å; N115-F352 HydrophobicContact CB-CZ 3.85Å; F352-I451 CarbonylContact C-O 3.46Å; F352-I451 VanDerWaalsContact CA-O 3.32Å; F352-I451 WeakPolarHBondContact CA-O 3.31Å; F352-V452 HydrophobicContact CB-CG1 4.04Å; F352-L549 VanDerWaalsContact C-CD1 3.48Å
353	I	98.4	Very high	96.7	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.7	170.9	-162.5	168.4	0	0	0	109	Q450 I451 L545 A548 L549 I555	I353-Q450 WeakPolarHBondContact O-CA 3.46Å; I353-I451 HydrophobicContact CG2-CB 3.97Å; I353-I451 PolarHBondContact N-O 2.81Å; I353-I451 PolarHBondContact O-N 2.77Å; I353-L545 HydrophobicContact CD1-CD2 4.22Å; I353-L545 HydrophobicContact CG1-CD2 4.11Å; I353-L545 HydrophobicContact CG2-CB 3.86Å; I353-L545 HydrophobicContact CG2-CD2 4.33Å; I353-A548 HydrophobicContact CD1-CB 3.45Å; I353-A548 VanDerWaalsContact CD1-CB 3.45Å; I353-L549 HydrophobicContact CB-CB 4.22Å; I353-L549 HydrophobicContact CB-CD1 3.89Å; I353-L549 HydrophobicContact CD1-CB 4.39Å; I353-L549 HydrophobicContact CG2-CB 3.89Å; I353-L549 HydrophobicContact CG2-CD1 4.09Å; I353-L549 HydrophobicContact CG2-CD2 4.49Å; I353-L549 HydrophobicContact CG2-CG 4.39Å; I353-I555 HydrophobicContact CD1-CD1 3.73Å; I353-I555 HydrophobicContact CD1-CG1 4.06Å; I353-I555 HydrophobicContact CD1-CG2 4.16Å; I353-I555 HydrophobicContact CG1-CD1 3.57Å; I353-I555 HydrophobicContact CG1-CG1 3.97Å
354	H	98.1	Very high	96.8	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	143	-172.5	156.5	-72	0	0	0	110.4	H113 Q114 F356 E448 T449 Q450	H113-H354 PolarHBondContact O-CD2 2.92Å; Q114-H354 HydrophobicContact CB-CB 3.98Å; Q114-H354 HydrophobicContact CG-CB 4.06Å; H354-F356 AromaticContact CE1-CD2 3.56Å; H354-F356 AromaticContact CE1-CE2 3.5Å; H354-F356 VanDerWaalsContact CE1-CE2 3.5Å; H354-F356 WeakPolarHBondContact CE1-CE2 3.36Å; H354-F356 AromaticContact CE1-CZ 3.93Å; H354-F356 AromaticContact NE2-CE1 3.91Å; H354-F356 AromaticContact NE2-CE2 3.71Å; H354-F356 AromaticContact NE2-CZ 3.65Å; H354-E448 IonicContact CD2-OE1 3.78Å; H354-E448 VanDerWaalsContact NE2-CG 3.32Å; H354-E448 WeakPolarHBondContact NE2-CG 3.39Å; H354-E448 IonicContact NE2-OE1 3.82Å; H354-T449 CarbonylContact C-O 3.39Å; H354-T449 VanDerWaalsContact CA-O 3.29Å; H354-T449 WeakPolarHBondContact CA-O 3.41Å; H354-Q450 HydrophobicContact CB-CB 4.4Å; H354-Q450 HydrophobicContact CB-CG 4.39Å
355	Q	98.1	Very high	96.8	Very high	28 Å²	28	43.9 Å²	43.9	13%	0.131	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	136.4	171	-169.4	168.9	53.4	0	0	111.3	I357 T449 L545 I555 S556	Q355-I357 HydrophobicContact CB-CG2 4.43Å; Q355-I357 HydrophobicContact CG-CG2 3.91Å; Q355-T449 PolarHBondContact N-O 2.71Å; Q355-T449 PolarHBondContact O-N 3.05Å; Q355-T449 PolarHBondContact O-OG1 2.95Å; Q355-L545 HydrophobicContact CB-CD2 4.16Å; Q355-I555 HydrophobicContact CB-CD1 3.96Å; Q355-S556 PolarHBondContact NE2-O 3.49Å
356	F	98.1	Very high	96.6	Very high	21 Å²	21	41.9 Å²	41.9	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.9	162.9	-69.8	-65	0	0	0	109.9	H113 H354 I446 V447 E448 P557 G558 T559 A561	H113-F356 HydrophobicContact CB-CZ 4.39Å; H113-F356 AromaticContact ND1-CZ 3.72Å; H354-F356 AromaticContact CE1-CD2 3.56Å; H354-F356 AromaticContact CE1-CE2 3.5Å; H354-F356 VanDerWaalsContact CE1-CE2 3.5Å; H354-F356 WeakPolarHBondContact CE1-CE2 3.36Å; H354-F356 AromaticContact CE1-CZ 3.93Å; H354-F356 AromaticContact NE2-CE1 3.91Å; H354-F356 AromaticContact NE2-CE2 3.71Å; H354-F356 AromaticContact NE2-CZ 3.65Å; F356-I446 HydrophobicContact CB-CG2 3.91Å; F356-I446 HydrophobicContact CD1-CG2 4.31Å; F356-I446 HydrophobicContact CG-CG2 4.41Å; F356-V447 WeakPolarHBondContact CA-O 3.31Å; F356-E448 HydrophobicContact CD1-CB 3.96Å; F356-E448 HydrophobicContact CD1-CG 4.14Å; F356-E448 HydrophobicContact CE1-CB 3.7Å; F356-E448 HydrophobicContact CE1-CG 3.67Å; F356-E448 WeakPolarHBondContact CE1-OE2 3.34Å; F356-E448 HydrophobicContact CZ-CG 4.32Å; F356-P557 PolarHBondContact N-O 2.81Å; F356-G558 WeakPolarHBondContact O-CA 2.99Å; F356-T559 WeakPolarHBondContact CB-O 2.96Å; F356-T559 WeakPolarHBondContact CG-O 3.26Å; F356-T559 PolarHBondContact O-N 3.44Å; F356-A561 HydrophobicContact CD1-CB 3.97Å; F356-A561 HydrophobicContact CE1-CB 3.64Å; F356-A561 HydrophobicContact CE2-CB 4.4Å; F356-A561 HydrophobicContact CG-CB 4.49Å; F356-A561 HydrophobicContact CZ-CB 3.88Å
357	I	97.3	Very high	96.4	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	-179.5	61.8	167.8	0	0	0	111	Q355 M359 I362 I446 V447 T449 Q541	Q355-I357 HydrophobicContact CB-CG2 4.43Å; Q355-I357 HydrophobicContact CG-CG2 3.91Å; I357-M359 HydrophobicContact CD1-CG 4.16Å; I357-M359 HydrophobicContact CD1-SD 3.45Å; I357-M359 WeakPolarHBondContact CD1-SD 3.2Å; I357-M359 HydrophobicContact CG1-CG 4.26Å; I357-M359 HydrophobicContact CG1-SD 4.19Å; I357-I362 HydrophobicContact CD1-CD1 4.05Å; I357-I446 WeakPolarHBondContact O-CA 3.37Å; I357-V447 HydrophobicContact CD1-CG2 4.05Å; I357-V447 HydrophobicContact CG1-CG2 3.53Å; I357-V447 PolarHBondContact N-O 3.11Å; I357-V447 PolarHBondContact O-N 3.37Å; I357-T449 HydrophobicContact CD1-CG2 3.87Å; I357-T449 HydrophobicContact CG1-CG2 4.09Å; I357-Q541 HydrophobicContact CD1-CB 4.34Å; I357-Q541 HydrophobicContact CD1-CG 3.9Å
358	D	97.8	Very high	96.3	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.1	169.2	-173.1	-17	0	0	0	109.2	T360 I362 I446	D358-T360 VanDerWaalsContact C-N 3.26Å; D358-T360 PolarHBondContact O-N 3.45Å; D358-T360 VanDerWaalsContact OD1-CB 3.3Å; D358-T360 WeakPolarHBondContact OD1-CB 3.45Å; D358-T360 VanDerWaalsContact OD1-CG2 3.26Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.49Å; D358-T360 PolarHBondContact OD1-N 3.41Å; D358-T360 PolarHBondContact OD1-OG1 2.89Å; D358-I362 VanDerWaalsContact O-CG1 3.25Å; D358-I362 WeakPolarHBondContact O-CG1 3.33Å; D358-I446 HydrophobicContact CB-CD1 3.58Å
359	M	98.2	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.5	-176.9	-74.2	-70	-68.5	0	0	113.6	I357 I362 T373 S445 V447 Y530 T534 A537 Y538	I357-M359 HydrophobicContact CD1-CG 4.16Å; I357-M359 HydrophobicContact CD1-SD 3.45Å; I357-M359 WeakPolarHBondContact CD1-SD 3.2Å; I357-M359 HydrophobicContact CG1-CG 4.26Å; I357-M359 HydrophobicContact CG1-SD 4.19Å; M359-I362 HydrophobicContact SD-CD1 3.56Å; M359-I362 VanDerWaalsContact SD-CD1 3.56Å; M359-T373 WeakPolarHBondContact O-CB 3.45Å; M359-T373 PolarHBondContact O-OG1 3.45Å; M359-S445 PolarHBondContact N-O 2.87Å; M359-V447 HydrophobicContact CG-CB 4.42Å; M359-V447 HydrophobicContact CG-CG1 4.24Å; M359-V447 HydrophobicContact CG-CG2 3.34Å; M359-V447 HydrophobicContact SD-CG2 4.19Å; M359-Y530 HydrophobicContact CB-CD1 3.57Å; M359-Y530 HydrophobicContact CB-CD2 3.91Å; M359-Y530 HydrophobicContact CB-CE1 3.51Å; M359-Y530 HydrophobicContact CB-CE2 3.86Å; M359-Y530 HydrophobicContact CB-CG 3.76Å; M359-Y530 HydrophobicContact CE-CD2 3.74Å; M359-Y530 HydrophobicContact CE-CE2 4.22Å; M359-Y530 HydrophobicContact CE-CG 4.25Å; M359-Y530 HydrophobicContact CG-CD2 4.31Å; M359-Y530 HydrophobicContact CG-CE1 4.48Å; M359-Y530 HydrophobicContact CG-CE2 4.06Å; M359-T534 HydrophobicContact CE-CG2 4.2Å; M359-A537 HydrophobicContact CE-CB 4.02Å; M359-A537 HydrophobicContact SD-CB 4.42Å; M359-Y538 HydrophobicContact CE-CD1 4.4Å; M359-Y538 HydrophobicContact CE-CD2 4.06Å; M359-Y538 HydrophobicContact CE-CE1 4.01Å; M359-Y538 HydrophobicContact CE-CE2 3.67Å; M359-Y538 HydrophobicContact CE-CG 4.42Å; M359-Y538 HydrophobicContact SD-CE1 4.06Å
360	T	97.2	Very high	96.2	Very high	27 Å²	27	55.3 Å²	55.3	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.4	-170.3	63.4	0	0	0	0	114.8	D358 T373 C374 E375	D358-T360 VanDerWaalsContact C-N 3.26Å; D358-T360 PolarHBondContact O-N 3.45Å; D358-T360 VanDerWaalsContact OD1-CB 3.3Å; D358-T360 WeakPolarHBondContact OD1-CB 3.45Å; D358-T360 VanDerWaalsContact OD1-CG2 3.26Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.49Å; D358-T360 PolarHBondContact OD1-N 3.41Å; D358-T360 PolarHBondContact OD1-OG1 2.89Å; T360-T373 VanDerWaalsContact O-O 3.13Å; T360-C374 CarbonylContact O-C 3.37Å; T360-E375 HydrophobicContact CG2-CG 4.4Å
361	N	96.9	Very high	96.2	Very high	94 Å²	94	56.4 Å²	56.4	50%	0.503	31%	0.306	S	S	.	.	S	Bend	trans	-157.8	41.4	-175.2	-165.7	39	0	0	0	114.3	S363 T373	N361-S363 PolarHBondContact O-N 3.2Å; N361-T373 PolarHBondContact N-OG1 3.33Å
362	I	97.6	Very high	96.2	Very high	43 Å²	43	56.4 Å²	56.4	22%	0.221	30%	0.303	C	S	.	.			trans	-78.3	112.7	177.9	-58.9	179.2	0	0	0	108.6	I357 D358 M359 L364 H372 T373 A537	I357-I362 HydrophobicContact CD1-CD1 4.05Å; D358-I362 VanDerWaalsContact O-CG1 3.25Å; D358-I362 WeakPolarHBondContact O-CG1 3.33Å; M359-I362 HydrophobicContact SD-CD1 3.56Å; M359-I362 VanDerWaalsContact SD-CD1 3.56Å; I362-L364 HydrophobicContact CG2-CD2 4.15Å; I362-H372 CarbonylContact O-C 3.52Å; I362-H372 WeakPolarHBondContact O-CA 3.47Å; I362-H372 WeakPolarHBondContact O-CB 3.31Å; I362-T373 HydrophobicContact CB-CG2 4.24Å; I362-T373 PolarHBondContact N-OG1 3.05Å; I362-T373 PolarHBondContact O-N 3.38Å; I362-A537 HydrophobicContact CD1-CB 4.32Å; I362-A537 HydrophobicContact CG2-CB 4.4Å
363	S	97.6	Very high	96.2	Very high	93 Å²	93	54 Å²	54	65%	0.65	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	130.4	176.1	-61.9	0	0	0	0	111.2	N361 G371	N361-S363 PolarHBondContact O-N 3.2Å; S363-G371 WeakPolarHBondContact CA-O 3.44Å
364	L	96.8	Very high	96.2	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157	-176.6	65.2	104.1	0	0	0	113.1	I362 G371 L533 P536 A537	I362-L364 HydrophobicContact CG2-CD2 4.15Å; L364-G371 PolarHBondContact N-O 3.38Å; L364-G371 PolarHBondContact O-N 3.26Å; L364-L533 HydrophobicContact CD2-CB 4.49Å; L364-P536 HydrophobicContact CD1-CB 3.39Å; L364-P536 HydrophobicContact CD2-CB 4.42Å; L364-A537 HydrophobicContact CD2-CB 3.69Å
365	N	95	Very high	96.3	Very high	129 Å²	129	56.4 Å²	56.4	69%	0.69	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.1	166.2	-64.3	-46.3	0	0	0	108	S370	N365-S370 VanDerWaalsContact OD1-CB 3.27Å; N365-S370 WeakPolarHBondContact OD1-CB 3.11Å; N365-S370 PolarHBondContact OD1-OG 2.91Å
366	Y	93	Very high	96.3	Very high	35 Å²	35	55 Å²	55	14%	0.137	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	111.8	-178	178.6	-97.3	0	0	0	110.3	N368 Y369 P536 V539	Y366-N368 PolarHBondContact O-N 3.19Å; Y366-N368 VanDerWaalsContact O-N 3.13Å; Y366-Y369 HydrophobicContact CD1-CD2 4.31Å; Y366-Y369 PolarHBondContact N-O 2.87Å; Y366-Y369 WeakPolarHBondContact O-CA 3.27Å; Y366-Y369 WeakPolarHBondContact O-CB 3.12Å; Y366-Y369 WeakPolarHBondContact O-CD2 3.17Å; Y366-Y369 PolarHBondContact O-N 3.26Å; Y366-P536 HydrophobicContact CD1-CB 3.88Å; Y366-P536 HydrophobicContact CD1-CG 3.57Å; Y366-P536 HydrophobicContact CD2-CB 4.23Å; Y366-P536 HydrophobicContact CE1-CG 4.11Å; Y366-P536 HydrophobicContact CG-CB 3.66Å; Y366-P536 HydrophobicContact CG-CG 3.92Å; Y366-V539 HydrophobicContact CE2-CB 4.24Å; Y366-V539 HydrophobicContact CE2-CG1 3.86Å; Y366-V539 HydrophobicContact CE2-CG2 4.44Å
367	K	91.4	Very high	96.3	Very high	122 Å²	122	54 Å²	54	53%	0.53	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-118.4	-172.4	-57.6	-178.6	179.8	-179.6	0	109.9	E197	E197-K367 IonicContact OE1-NZ 3.47Å
368	N	91.6	Very high	96.3	Very high	164 Å²	164	53.6 Å²	53.6	88%	0.877	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.3	178.7	-61.4	-28.3	0	0	0	113.6	Y366	Y366-N368 PolarHBondContact O-N 3.19Å; Y366-N368 VanDerWaalsContact O-N 3.13Å
369	Y	92.2	Very high	96.3	Very high	72 Å²	72	50.3 Å²	50.3	28%	0.282	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132	-178.9	-57	-84.9	0	0	0	110.5	Y366 P515 L533	Y366-Y369 HydrophobicContact CD1-CD2 4.31Å; Y366-Y369 PolarHBondContact N-O 2.87Å; Y366-Y369 WeakPolarHBondContact O-CA 3.27Å; Y366-Y369 WeakPolarHBondContact O-CB 3.12Å; Y366-Y369 WeakPolarHBondContact O-CD2 3.17Å; Y366-Y369 PolarHBondContact O-N 3.26Å; Y369-P515 HydrophobicContact CD1-CB 4.15Å; Y369-P515 HydrophobicContact CD2-CB 4.23Å; Y369-P515 HydrophobicContact CD2-CG 4.29Å; Y369-P515 HydrophobicContact CE1-CB 3.7Å; Y369-P515 HydrophobicContact CE2-CB 3.78Å; Y369-P515 HydrophobicContact CE2-CG 4.14Å; Y369-P515 HydrophobicContact CG-CB 4.4Å; Y369-P515 VanDerWaalsContact CZ-CB 3.5Å; Y369-L533 HydrophobicContact CG-CD2 4.35Å
370	S	93.9	Very high	96.2	Very high	93 Å²	93	50.6 Å²	50.6	65%	0.65	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.1	175.4	-176.4	0	0	0	0	109.2	N365	N365-S370 VanDerWaalsContact OD1-CB 3.27Å; N365-S370 WeakPolarHBondContact OD1-CB 3.11Å; N365-S370 PolarHBondContact OD1-OG 2.91Å
371	G	95.8	Very high	96.2	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-149	179.4	0	0	0	0	0	111.9	S363 L364	S363-G371 WeakPolarHBondContact CA-O 3.44Å; L364-G371 PolarHBondContact N-O 3.38Å; L364-G371 PolarHBondContact O-N 3.26Å
372	H	97.7	Very high	96.1	Very high	70 Å²	70	47.7 Å²	47.7	32%	0.324	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.9	175.4	58.9	77.3	0	0	0	111.4	I362	I362-H372 CarbonylContact O-C 3.52Å; I362-H372 WeakPolarHBondContact O-CA 3.47Å; I362-H372 WeakPolarHBondContact O-CB 3.31Å
373	T	98.6	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.			trans	-66.4	165.6	167.7	56.7	0	0	0	0	111.4	M359 T360 N361 I362 L533 A537	M359-T373 WeakPolarHBondContact O-CB 3.45Å; M359-T373 PolarHBondContact O-OG1 3.45Å; T360-T373 VanDerWaalsContact O-O 3.13Å; N361-T373 PolarHBondContact N-OG1 3.33Å; I362-T373 HydrophobicContact CB-CG2 4.24Å; I362-T373 PolarHBondContact N-OG1 3.05Å; I362-T373 PolarHBondContact O-N 3.38Å; T373-L533 HydrophobicContact CG2-CB 4.45Å; T373-A537 HydrophobicContact CG2-CB 3.54Å
374	C	98.5	Very high	95.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.02	23%	0.225	C	C	.	.			trans	-113.6	161.9	-173.7	-50.1	0	0	0	0	112	T360 L420 C423 Q424 Y530	T360-C374 CarbonylContact O-C 3.37Å; C374-L420 HydrophobicContact CB-CD1 4.48Å; C374-C423 WeakPolarHBondContact CA-SG 3.35Å; C374-C423 HydrophobicContact CB-CB 3.9Å; C374-C423 WeakPolarHBondContact CB-SG 3.48Å; C374-C423 WeakPolarHBondContact SG-CB 3.33Å; C374-C423 PolarHBondContact SG-O 2.8Å; C374-C423 CovalentContact SG-SG 2.04Å; C374-C423 PolarHBondContact SG-SG 3.2Å; C374-Q424 HydrophobicContact CB-CG 4.23Å; C374-Y530 PolarHBondContact N-O 3.49Å
375	E	98.3	Very high	95.9	Very high	65 Å²	65	42.2 Å²	42.2	30%	0.304	23%	0.225	S	C	.	.	S	Bend	trans	-58.6	146.7	161.1	-70.1	174.4	-169.4	0	0	110.5	T360 A377 L420 Q424 E435	T360-E375 HydrophobicContact CG2-CG 4.4Å; E375-A377 PolarHBondContact O-N 3.21Å; E375-L420 HydrophobicContact CB-CD1 4.04Å; E375-L420 WeakPolarHBondContact O-CD1 3.38Å; E375-Q424 PolarHBondContact O-NE2 3.48Å; E375-E435 WeakPolarHBondContact OE2-CG 3.21Å
376	P	98.4	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.			trans	-50.9	133.7	-179	-30.2	33.7	0	0	0	113.9	T433 G434 Q443 P444 I529 Y530	P376-T433 VanDerWaalsContact C-OG1 3.26Å; P376-T433 VanDerWaalsContact CB-OG1 3.28Å; P376-T433 WeakPolarHBondContact CB-OG1 3.22Å; P376-T433 PolarHBondContact O-N 3.42Å; P376-T433 PolarHBondContact O-OG1 3.43Å; P376-T433 VanDerWaalsContact O-OG1 3.12Å; P376-G434 PolarHBondContact O-N 3.31Å; P376-Q443 HydrophobicContact CB-CB 3.99Å; P376-Q443 HydrophobicContact CG-CB 4.4Å; P376-P444 WeakPolarHBondContact CG-O 3.49Å; P376-I529 CarbonylContact C-O 3.58Å; P376-I529 VanDerWaalsContact CA-O 3.3Å; P376-I529 WeakPolarHBondContact CA-O 3.3Å; P376-I529 HydrophobicContact CB-CB 4.28Å; P376-I529 HydrophobicContact CB-CD1 4.24Å; P376-I529 HydrophobicContact CB-CG1 4.47Å; P376-I529 HydrophobicContact CG-CD1 4.46Å; P376-Y530 HydrophobicContact CG-CD1 4.12Å; P376-Y530 HydrophobicContact CG-CE1 3.76Å
377	A	98.3	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.			trans	-153.7	141.7	168.2	0	0	0	0	0	112.3	E375 L420 Q424 K427 I429 V431 I529	E375-A377 PolarHBondContact O-N 3.21Å; A377-L420 HydrophobicContact CB-CD1 4.49Å; A377-L420 HydrophobicContact CB-CD2 4.34Å; A377-Q424 HydrophobicContact CB-CG 4.06Å; A377-K427 PolarHBondContact O-NZ 3.36Å; A377-I429 HydrophobicContact CB-CD1 4.3Å; A377-I429 HydrophobicContact CB-CG1 4.09Å; A377-I429 HydrophobicContact CB-CG2 4.06Å; A377-V431 WeakPolarHBondContact CA-O 3.5Å; A377-I529 PolarHBondContact N-O 3.06Å
378	M	97.4	Very high	96.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.4	174	-57.2	-61.2	-78.8	0	0	110.4	L135 F382 L430 V431 T433 I529	L135-M378 HydrophobicContact CD2-CG 4.09Å; L135-M378 HydrophobicContact CD2-SD 4.43Å; M378-F382 HydrophobicContact CB-CB 4.18Å; M378-F382 HydrophobicContact CB-CD1 4.01Å; M378-F382 HydrophobicContact CB-CG 4.17Å; M378-F382 HydrophobicContact CE-CB 3.91Å; M378-F382 HydrophobicContact CE-CD1 3.95Å; M378-F382 HydrophobicContact CE-CD2 3.02Å; M378-F382 HydrophobicContact CE-CE1 4.22Å; M378-F382 HydrophobicContact CE-CE2 3.36Å; M378-F382 HydrophobicContact CE-CG 3.33Å; M378-F382 HydrophobicContact CE-CZ 3.95Å; M378-F382 HydrophobicContact CG-CD1 4.35Å; M378-F382 HydrophobicContact CG-CG 4.5Å; M378-L430 PolarHBondContact O-N 3.11Å; M378-V431 HydrophobicContact CB-CB 4.29Å; M378-V431 PolarHBondContact N-O 3.23Å; M378-V431 PolarHBondContact O-N 3.36Å; M378-V431 VanDerWaalsContact O-N 3.17Å; M378-T433 HydrophobicContact CG-CG2 4.49Å; M378-I529 HydrophobicContact SD-CG2 3.42Å; M378-I529 WeakPolarHBondContact SD-CG2 3.29Å
379	G	97.1	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	170.9	178.1	0	0	0	0	0	113.4	S381 F382 K427 P428 A526	G379-S381 VanDerWaalsContact C-N 3.29Å; G379-S381 PolarHBondContact O-N 2.93Å; G379-F382 VanDerWaalsContact O-CB 3.24Å; G379-F382 WeakPolarHBondContact O-CB 3.39Å; G379-F382 PolarHBondContact O-N 2.82Å; G379-F382 VanDerWaalsContact O-N 3.12Å; G379-K427 VanDerWaalsContact CA-CG 3.49Å; G379-P428 CarbonylContact C-O 3.56Å; G379-P428 WeakPolarHBondContact CA-O 3.38Å; G379-A526 PolarHBondContact N-O 3.05Å
380	F	96.2	Very high	96.7	Very high	5 Å²	5	20 Å²	20	2%	0.022	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.5	-42.2	176.1	-86	-136.1	0	0	0	112.6	F382 A383 F395 T399 S403 W406 P428 L430	F380-F382 PolarHBondContact O-N 2.86Å; F380-F382 VanDerWaalsContact O-N 3.11Å; F380-A383 PolarHBondContact O-N 2.95Å; F380-F395 HydrophobicContact CB-CD1 4.07Å; F380-F395 HydrophobicContact CB-CE1 4.1Å; F380-F395 HydrophobicContact CD1-CD1 4.11Å; F380-F395 AromaticContact CD1-CE1 3.69Å; F380-F395 HydrophobicContact CD1-CE1 3.69Å; F380-F395 HydrophobicContact CE1-CE1 4.26Å; F380-F395 HydrophobicContact CG-CD1 4.35Å; F380-F395 AromaticContact CG-CE1 3.95Å; F380-F395 HydrophobicContact CG-CE1 3.95Å; F380-F395 VanDerWaalsContact O-CD1 3.28Å; F380-F395 WeakPolarHBondContact O-CD1 3.43Å; F380-T399 HydrophobicContact CB-CG2 4.07Å; F380-T399 HydrophobicContact CD1-CG2 4.37Å; F380-S403 VanDerWaalsContact CE1-N 3.27Å; F380-W406 HydrophobicContact CD1-CB 4.47Å; F380-W406 HydrophobicContact CE1-CB 3.46Å; F380-W406 VanDerWaalsContact CE1-CB 3.46Å; F380-W406 HydrophobicContact CE1-CG 4.11Å; F380-W406 HydrophobicContact CZ-CB 3.49Å; F380-W406 VanDerWaalsContact CZ-CB 3.49Å; F380-P428 HydrophobicContact CB-CG 4.07Å; F380-P428 HydrophobicContact CD2-CB 3.92Å; F380-P428 HydrophobicContact CD2-CG 4.17Å; F380-P428 WeakPolarHBondContact CD2-O 3.4Å; F380-P428 HydrophobicContact CE2-CB 4.28Å; F380-P428 HydrophobicContact CG-CB 4.31Å; F380-P428 HydrophobicContact CG-CG 4.16Å; F380-P428 PolarHBondContact N-O 3.04Å; F380-L430 HydrophobicContact CD2-CB 3.77Å; F380-L430 HydrophobicContact CD2-CD1 4.28Å; F380-L430 HydrophobicContact CE2-CB 4.22Å; F380-L430 HydrophobicContact CE2-CD1 4.2Å
381	S	97.3	Very high	96.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-70.2	-5	-178.9	-63.1	0	0	0	0	114.4	G379 A383 A384 I396 Q397 G398 T399 Q521 Y523	G379-S381 VanDerWaalsContact C-N 3.29Å; G379-S381 PolarHBondContact O-N 2.93Å; S381-A383 VanDerWaalsContact C-N 3.33Å; S381-A384 WeakPolarHBondContact O-CB 3.39Å; S381-A384 PolarHBondContact O-N 3.35Å; S381-I396 PolarHBondContact OG-O 3.47Å; S381-Q397 WeakPolarHBondContact OG-CA 3.16Å; S381-G398 PolarHBondContact OG-N 2.94Å; S381-T399 PolarHBondContact OG-N 3.09Å; S381-T399 VanDerWaalsContact OG-N 3.15Å; S381-Q521 WeakPolarHBondContact CB-O 3.33Å; S381-Q521 PolarHBondContact OG-O 3.37Å; S381-Y523 WeakPolarHBondContact O-CD2 3.33Å
382	F	95.8	Very high	95.8	Very high	61 Å²	61	19.6 Å²	19.6	27%	0.268	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-60.7	-44.7	163.9	163.9	-115.7	0	0	0	110.9	M378 G379 F380 A384 G385 Y523	M378-F382 HydrophobicContact CB-CB 4.18Å; M378-F382 HydrophobicContact CB-CD1 4.01Å; M378-F382 HydrophobicContact CB-CG 4.17Å; M378-F382 HydrophobicContact CE-CB 3.91Å; M378-F382 HydrophobicContact CE-CD1 3.95Å; M378-F382 HydrophobicContact CE-CD2 3.02Å; M378-F382 HydrophobicContact CE-CE1 4.22Å; M378-F382 HydrophobicContact CE-CE2 3.36Å; M378-F382 HydrophobicContact CE-CG 3.33Å; M378-F382 HydrophobicContact CE-CZ 3.95Å; M378-F382 HydrophobicContact CG-CD1 4.35Å; M378-F382 HydrophobicContact CG-CG 4.5Å; G379-F382 VanDerWaalsContact O-CB 3.24Å; G379-F382 WeakPolarHBondContact O-CB 3.39Å; G379-F382 PolarHBondContact O-N 2.82Å; G379-F382 VanDerWaalsContact O-N 3.12Å; F380-F382 PolarHBondContact O-N 2.86Å; F380-F382 VanDerWaalsContact O-N 3.11Å; F382-A384 PolarHBondContact O-N 3.12Å; F382-G385 PolarHBondContact O-N 3.39Å; F382-Y523 AromaticContact CD2-CE2 3.91Å; F382-Y523 HydrophobicContact CD2-CE2 3.91Å; F382-Y523 VanDerWaalsContact O-CE2 3.27Å; F382-Y523 WeakPolarHBondContact O-CE2 3.34Å
383	A	94.4	Very high	95.2	Very high	26 Å²	26	22.6 Å²	22.6	22%	0.215	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.5	-179.9	0	0	0	0	0	113.4	F380 S381 G385 G391 D392 F395 L430	F380-A383 PolarHBondContact O-N 2.95Å; S381-A383 VanDerWaalsContact C-N 3.33Å; A383-G385 VanDerWaalsContact C-N 3.32Å; A383-G391 WeakPolarHBondContact O-CA 3.41Å; A383-D392 PolarHBondContact O-N 3.38Å; A383-F395 HydrophobicContact CB-CB 4.25Å; A383-F395 HydrophobicContact CB-CD1 4.02Å; A383-F395 HydrophobicContact CB-CD2 3.42Å; A383-F395 VanDerWaalsContact CB-CD2 3.42Å; A383-F395 HydrophobicContact CB-CE1 4.18Å; A383-F395 HydrophobicContact CB-CE2 3.62Å; A383-F395 HydrophobicContact CB-CG 3.64Å; A383-F395 HydrophobicContact CB-CZ 3.99Å; A383-L430 HydrophobicContact CB-CD2 3.6Å
384	A	96.1	Very high	94.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.7	175.5	0	0	0	0	0	113.2	T308 S381 F382 G391 F395 I396 Q397	T308-A384 HydrophobicContact CG2-CB 4.25Å; S381-A384 WeakPolarHBondContact O-CB 3.39Å; S381-A384 PolarHBondContact O-N 3.35Å; F382-A384 PolarHBondContact O-N 3.12Å; A384-G391 VanDerWaalsContact C-N 3.35Å; A384-G391 PolarHBondContact O-N 3.27Å; A384-F395 HydrophobicContact CB-CB 3.98Å; A384-I396 VanDerWaalsContact CB-C 3.42Å; A384-Q397 HydrophobicContact CB-CG 3.89Å
385	G	96.3	Very high	94.3	Very high	9 Å²	9	27.4 Å²	27.4	9%	0.093	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.5	-158	-171.6	0	0	0	0	0	112.6	F382 A383 G389 Q397	F382-G385 PolarHBondContact O-N 3.39Å; A383-G385 VanDerWaalsContact C-N 3.32Å; G385-G389 WeakPolarHBondContact CA-O 3.28Å; G385-Q397 PolarHBondContact O-NE2 3.38Å
386	T	97.6	Very high	94.1	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.08	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	179.6	178.8	74.9	0	0	0	0	111.1	D388 G389 P390 Y523	T386-D388 PolarHBondContact O-N 3.44Å; T386-D388 PolarHBondContact OG1-N 3.16Å; T386-D388 VanDerWaalsContact OG1-N 3.11Å; T386-G389 PolarHBondContact N-O 2.94Å; T386-G389 CarbonylContact O-C 3.59Å; T386-G389 PolarHBondContact O-N 2.8Å; T386-P390 VanDerWaalsContact O-CA 3.25Å; T386-P390 WeakPolarHBondContact O-CA 3.01Å; T386-Y523 HydrophobicContact CG2-CD1 3.35Å; T386-Y523 HydrophobicContact CG2-CD2 4.16Å; T386-Y523 HydrophobicContact CG2-CE1 3.88Å; T386-Y523 HydrophobicContact CG2-CG 3.51Å
387	T	97.4	Very high	93.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.6	171.6	54.6	0	0	0	0	112.9	P288 A313	P288-T387 HydrophobicContact CB-CG2 3.64Å; P288-T387 HydrophobicContact CG-CG2 4.28Å; A313-T387 PolarHBondContact N-O 3.31Å
388	D	97.5	Very high	93.8	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-19.5	176.7	-54.6	-45.4	0	0	0	112.4	Y50 R185 V233 S282 N284 T386	Y50-D388 WeakPolarHBondContact CE1-O 3.36Å; R185-D388 WeakPolarHBondContact CD-OD2 3.37Å; R185-D388 IonicContact NH1-OD2 3.07Å; R185-D388 PolarHBondContact NH1-OD2 2.67Å; R185-D388 VanDerWaalsContact NH1-OD2 3.16Å; V233-D388 HydrophobicContact CB-CB 4.44Å; V233-D388 HydrophobicContact CG2-CB 3.89Å; S282-D388 VanDerWaalsContact CB-OD1 3.3Å; S282-D388 WeakPolarHBondContact CB-OD1 3.38Å; S282-D388 WeakPolarHBondContact CB-OD2 3.48Å; S282-D388 PolarHBondContact OG-OD1 2.81Å; N284-D388 PolarHBondContact ND2-OD1 2.95Å; T386-D388 PolarHBondContact O-N 3.44Å; T386-D388 PolarHBondContact OG1-N 3.16Å; T386-D388 VanDerWaalsContact OG1-N 3.11Å
389	G	95.7	Very high	93.7	Very high	10 Å²	10	28 Å²	28	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	88.8	-177.7	0	0	0	0	0	108.4	G385 T386	G385-G389 WeakPolarHBondContact CA-O 3.28Å; T386-G389 PolarHBondContact N-O 2.94Å; T386-G389 CarbonylContact O-C 3.59Å; T386-G389 PolarHBondContact O-N 2.8Å
390	P	93.4	Very high	93.4	Very high	24 Å²	24	31.2 Å²	31.2	16%	0.156	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.5	-177.9	27.8	-34.3	0	0	0	109.9	F237 T308 I312 T386	F237-P390 HydrophobicContact CE1-CG 4.22Å; T308-P390 WeakPolarHBondContact O-CB 3.2Å; I312-P390 HydrophobicContact CG1-CG 4.34Å; T386-P390 VanDerWaalsContact O-CA 3.25Å; T386-P390 WeakPolarHBondContact O-CA 3.01Å
391	G	88.8	Confident	92.9	Very high	18 Å²	18	41.2 Å²	41.2	19%	0.186	22%	0.215	C	C	.	.			trans	-77.7	-167.6	174.5	0	0	0	0	0	112.5	A383 A384	A383-G391 WeakPolarHBondContact O-CA 3.41Å; A384-G391 VanDerWaalsContact C-N 3.35Å; A384-G391 PolarHBondContact O-N 3.27Å
392	D	81.3	Confident	91.8	Very high	97 Å²	97	42.8 Å²	42.8	52%	0.519	23%	0.231	S	C	.	.	S	Bend	trans	-112.7	172.5	-174.3	-107.4	-37.1	0	0	0	112.3	A383	A383-D392 PolarHBondContact O-N 3.38Å
393	F	85.4	Confident	91.1	Very high	133 Å²	133	41.9 Å²	41.9	58%	0.583	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	-150.9	179.1	-47	-75.7	0	0	0	114.7	Q309 F395 W406	Q309-F393 PolarHBondContact NE2-O 3.31Å; F393-F395 HydrophobicContact CB-CD2 4.03Å; F393-F395 HydrophobicContact CB-CE2 4.31Å; F393-F395 HydrophobicContact CD2-CD2 4.34Å; F393-F395 HydrophobicContact CD2-CE2 4.2Å; F393-W406 HydrophobicContact CB-CH2 4.32Å; F393-W406 HydrophobicContact CB-CZ2 3.71Å; F393-W406 HydrophobicContact CD1-CH2 4.2Å; F393-W406 HydrophobicContact CD1-CZ2 4.27Å; F393-W406 AromaticContact CD2-CH2 3.92Å; F393-W406 HydrophobicContact CD2-CH2 3.92Å; F393-W406 HydrophobicContact CD2-CZ2 4.14Å; F393-W406 HydrophobicContact CE2-CH2 4.27Å; F393-W406 AromaticContact CG-CH2 3.88Å; F393-W406 HydrophobicContact CG-CH2 3.88Å; F393-W406 AromaticContact CG-CZ2 3.79Å; F393-W406 HydrophobicContact CG-CZ2 3.79Å
394	D	85.8	Confident	90.3	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	13.6	-178.2	64.3	-29.8	0	0	0	112.9	W406	D394-W406 PolarHBondContact OD1-NE1 2.86Å
395	F	91.4	Very high	89.6	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.035	28%	0.283	C	S	.	.			trans	-71.2	133.7	176.6	-67.8	-78	0	0	0	111.3	T308 F380 A383 A384 F393 W406 L430	T308-F395 VanDerWaalsContact CG2-O 3.28Å; T308-F395 WeakPolarHBondContact CG2-O 3.41Å; T308-F395 PolarHBondContact OG1-O 3.41Å; F380-F395 HydrophobicContact CB-CD1 4.07Å; F380-F395 HydrophobicContact CB-CE1 4.1Å; F380-F395 HydrophobicContact CD1-CD1 4.11Å; F380-F395 AromaticContact CD1-CE1 3.69Å; F380-F395 HydrophobicContact CD1-CE1 3.69Å; F380-F395 HydrophobicContact CE1-CE1 4.26Å; F380-F395 HydrophobicContact CG-CD1 4.35Å; F380-F395 AromaticContact CG-CE1 3.95Å; F380-F395 HydrophobicContact CG-CE1 3.95Å; F380-F395 VanDerWaalsContact O-CD1 3.28Å; F380-F395 WeakPolarHBondContact O-CD1 3.43Å; A383-F395 HydrophobicContact CB-CB 4.25Å; A383-F395 HydrophobicContact CB-CD1 4.02Å; A383-F395 HydrophobicContact CB-CD2 3.42Å; A383-F395 VanDerWaalsContact CB-CD2 3.42Å; A383-F395 HydrophobicContact CB-CE1 4.18Å; A383-F395 HydrophobicContact CB-CE2 3.62Å; A383-F395 HydrophobicContact CB-CG 3.64Å; A383-F395 HydrophobicContact CB-CZ 3.99Å; A384-F395 HydrophobicContact CB-CB 3.98Å; F393-F395 HydrophobicContact CB-CD2 4.03Å; F393-F395 HydrophobicContact CB-CE2 4.31Å; F393-F395 HydrophobicContact CD2-CD2 4.34Å; F393-F395 HydrophobicContact CD2-CE2 4.2Å; F395-W406 HydrophobicContact CD2-CZ2 4.27Å; F395-W406 AromaticContact CE1-CD1 3.78Å; F395-W406 HydrophobicContact CE1-CD2 4.15Å; F395-W406 AromaticContact CE1-CG 3.95Å; F395-W406 HydrophobicContact CE1-CG 3.95Å; F395-W406 AromaticContact CE1-NE1 3.97Å; F395-W406 AromaticContact CE2-CD2 3.86Å; F395-W406 HydrophobicContact CE2-CD2 3.86Å; F395-W406 AromaticContact CE2-CE2 3.41Å; F395-W406 VanDerWaalsContact CE2-CE2 3.41Å; F395-W406 HydrophobicContact CE2-CE3 4.21Å; F395-W406 HydrophobicContact CE2-CG 4.48Å; F395-W406 AromaticContact CE2-CH2 3.83Å; F395-W406 HydrophobicContact CE2-CH2 3.83Å; F395-W406 AromaticContact CE2-CZ2 3.43Å; F395-W406 HydrophobicContact CE2-CZ2 3.43Å; F395-W406 VanDerWaalsContact CE2-CZ2 3.43Å; F395-W406 HydrophobicContact CE2-CZ3 4.19Å; F395-W406 AromaticContact CE2-NE1 3.79Å; F395-W406 HydrophobicContact CZ-CB 4.45Å; F395-W406 AromaticContact CZ-CD1 3.69Å; F395-W406 AromaticContact CZ-CD2 3.33Å; F395-W406 HydrophobicContact CZ-CD2 3.33Å; F395-W406 AromaticContact CZ-CE2 3.35Å; F395-W406 AromaticContact CZ-CE3 3.78Å; F395-W406 HydrophobicContact CZ-CE3 3.78Å; F395-W406 AromaticContact CZ-CG 3.62Å; F395-W406 HydrophobicContact CZ-CG 3.62Å; F395-W406 HydrophobicContact CZ-CH2 4.24Å; F395-W406 AromaticContact CZ-CZ2 3.85Å; F395-W406 HydrophobicContact CZ-CZ2 3.85Å; F395-W406 HydrophobicContact CZ-CZ3 4.2Å; F395-W406 AromaticContact CZ-NE1 3.57Å; F395-L430 HydrophobicContact CE1-CD1 4.02Å; F395-L430 HydrophobicContact CE1-CD2 3.91Å; F395-L430 HydrophobicContact CZ-CD1 3.8Å; F395-L430 HydrophobicContact CZ-CD2 3.81Å; F395-L430 HydrophobicContact CZ-CG 4.48Å
396	I	93.8	Very high	89.1	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.215	28%	0.284	C	S	.	.			trans	-122.3	155.4	171.5	63.9	176.7	0	0	0	110.4	H301 G306 T308 S381 A384 T399	H301-I396 HydrophobicContact CB-CB 4.29Å; H301-I396 HydrophobicContact CB-CD1 4.18Å; G306-I396 WeakPolarHBondContact O-CG2 3.19Å; T308-I396 HydrophobicContact CG2-CB 4.4Å; T308-I396 HydrophobicContact CG2-CG2 4.26Å; S381-I396 PolarHBondContact OG-O 3.47Å; A384-I396 VanDerWaalsContact CB-C 3.42Å; I396-T399 PolarHBondContact O-OG1 3.11Å
397	Q	95.9	Very high	88.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	158.1	171.5	-65.3	-168.6	58.2	0	0	110.5	H301 S381 A384 G385 R522	H301-Q397 VanDerWaalsContact CA-O 3.31Å; H301-Q397 WeakPolarHBondContact CA-O 3.45Å; H301-Q397 WeakPolarHBondContact CB-O 3.48Å; H301-Q397 PolarHBondContact CD2-O 3.47Å; H301-Q397 PolarHBondContact O-N 3.23Å; S381-Q397 WeakPolarHBondContact OG-CA 3.16Å; A384-Q397 HydrophobicContact CB-CG 3.89Å; G385-Q397 PolarHBondContact O-NE2 3.38Å; Q397-R522 HydrophobicContact CB-CB 4.47Å; Q397-R522 HydrophobicContact CB-CG 4.28Å; Q397-R522 VanDerWaalsContact OE1-NH2 3.13Å
398	G	96	Very high	86.9	Confident	11 Å²	11	60.5 Å²	60.5	11%	0.113	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	16.7	178.1	0	0	0	0	0	114.1	S381 T400 L520 Q521	S381-G398 PolarHBondContact OG-N 2.94Å; G398-T400 PolarHBondContact O-N 2.88Å; G398-L520 CarbonylContact C-O 3.58Å; G398-L520 VanDerWaalsContact CA-O 3.23Å; G398-L520 WeakPolarHBondContact CA-O 3.38Å; G398-Q521 VanDerWaalsContact CA-O 3.26Å; G398-Q521 WeakPolarHBondContact CA-O 3.43Å; G398-Q521 PolarHBondContact N-O 3.13Å
399	T	93.9	Very high	85.8	Confident	26 Å²	26	62.9 Å²	62.9	16%	0.16	33%	0.33	C	S	.	.			trans	-86.3	113	-173.2	-61.4	0	0	0	0	110.8	F380 S381 I396 R401 P428 Q521	F380-T399 HydrophobicContact CB-CG2 4.07Å; F380-T399 HydrophobicContact CD1-CG2 4.37Å; S381-T399 PolarHBondContact OG-N 3.09Å; S381-T399 VanDerWaalsContact OG-N 3.15Å; I396-T399 PolarHBondContact O-OG1 3.11Å; T399-R401 WeakPolarHBondContact CG2-O 3.39Å; T399-P428 HydrophobicContact CG2-CG 4.18Å; T399-P428 WeakPolarHBondContact O-CD 3.41Å; T399-P428 WeakPolarHBondContact O-CG 3.45Å; T399-Q521 PolarHBondContact N-O 2.95Å; T399-Q521 WeakPolarHBondContact O-CB 3.36Å
400	T	91.7	Very high	85.3	Confident	66 Å²	66	63.9 Å²	63.9	41%	0.405	33%	0.331	S	S	.	.			trans	-105.2	-2.8	178.2	56.1	0	0	0	0	114	G398 Q521	G398-T400 PolarHBondContact O-N 2.88Å; T400-Q521 HydrophobicContact CG2-CB 4.11Å; T400-Q521 HydrophobicContact CG2-CG 4.28Å
401	R	84.8	Confident	84.7	Confident	216 Å²	216	65.5 Å²	65.5	82%	0.815	34%	0.338	S	S	*	.	S	Bend	trans	-131.8	130.1	176.6	-63.4	-176.4	-177.3	-177.4	1.3	109.9	T399	T399-R401 WeakPolarHBondContact CG2-O 3.39Å
402	G	75.4	Confident	84.2	Confident	33 Å²	33	73.6 Å²	73.6	34%	0.34	37%	0.369	S	S	.	.			trans	-69.5	153.3	176.4	0	0	0	0	0	112
403	S	81.2	Confident	84.3	Confident	41 Å²	41	74 Å²	74	29%	0.287	37%	0.37	S	S	.	.			trans	-89.4	149.9	170.1	81.1	0	0	0	0	110.5	F380 F405 W406 N407	F380-S403 VanDerWaalsContact CE1-N 3.27Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.86Å; S403-W406 PolarHBondContact O-N 2.91Å; S403-W406 PolarHBondContact OG-N 2.91Å; S403-N407 WeakPolarHBondContact O-CB 3.19Å; S403-N407 PolarHBondContact O-N 2.99Å; S403-N407 PolarHBondContact O-ND2 3.19Å
404	L	77.4	Confident	84.5	Confident	140 Å²	140	71.3 Å²	71.3	73%	0.733	36%	0.358	S	S	*	.	H	α-helix	trans	-58	-42.4	178.4	179.1	61.6	0	0	0	111.6	N407 I408	L404-N407 PolarHBondContact O-N 3.47Å; L404-I408 HydrophobicContact CD1-CD1 4.34Å; L404-I408 HydrophobicContact CG-CD1 4.23Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.38Å; L404-I408 VanDerWaalsContact O-N 3.16Å
405	F	81.4	Confident	84.9	Confident	126 Å²	126	70.5 Å²	70.5	55%	0.553	36%	0.357	S	S	*	.	H	α-helix	trans	-61.1	-52.8	-179.4	177	-100.2	0	0	0	112.1	S403 N407 I408 V409	S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.86Å; F405-N407 VanDerWaalsContact C-N 3.32Å; F405-N407 PolarHBondContact O-N 2.91Å; F405-I408 WeakPolarHBondContact O-CB 3.32Å; F405-I408 PolarHBondContact O-N 2.87Å; F405-I408 VanDerWaalsContact O-N 3.15Å; F405-V409 HydrophobicContact CD1-CG2 4.46Å; F405-V409 HydrophobicContact CE1-CG2 4.01Å; F405-V409 HydrophobicContact CE2-CG2 4.44Å; F405-V409 HydrophobicContact CZ-CG2 4Å; F405-V409 PolarHBondContact O-N 3.38Å; F405-V409 VanDerWaalsContact O-N 3.1Å
406	W	84.3	Confident	85	Confident	30 Å²	30	70.4 Å²	70.4	11%	0.114	36%	0.357	C	S	.	.	H	α-helix	trans	-71.2	-27.6	-178.1	-72.4	121.2	0	0	0	113.2	F380 F393 D394 F395 S403 I408 V409 R410 L430	F380-W406 HydrophobicContact CD1-CB 4.47Å; F380-W406 HydrophobicContact CE1-CB 3.46Å; F380-W406 VanDerWaalsContact CE1-CB 3.46Å; F380-W406 HydrophobicContact CE1-CG 4.11Å; F380-W406 HydrophobicContact CZ-CB 3.49Å; F380-W406 VanDerWaalsContact CZ-CB 3.49Å; F393-W406 HydrophobicContact CB-CH2 4.32Å; F393-W406 HydrophobicContact CB-CZ2 3.71Å; F393-W406 HydrophobicContact CD1-CH2 4.2Å; F393-W406 HydrophobicContact CD1-CZ2 4.27Å; F393-W406 AromaticContact CD2-CH2 3.92Å; F393-W406 HydrophobicContact CD2-CH2 3.92Å; F393-W406 HydrophobicContact CD2-CZ2 4.14Å; F393-W406 HydrophobicContact CE2-CH2 4.27Å; F393-W406 AromaticContact CG-CH2 3.88Å; F393-W406 HydrophobicContact CG-CH2 3.88Å; F393-W406 AromaticContact CG-CZ2 3.79Å; F393-W406 HydrophobicContact CG-CZ2 3.79Å; D394-W406 PolarHBondContact OD1-NE1 2.86Å; F395-W406 HydrophobicContact CD2-CZ2 4.27Å; F395-W406 AromaticContact CE1-CD1 3.78Å; F395-W406 HydrophobicContact CE1-CD2 4.15Å; F395-W406 AromaticContact CE1-CG 3.95Å; F395-W406 HydrophobicContact CE1-CG 3.95Å; F395-W406 AromaticContact CE1-NE1 3.97Å; F395-W406 AromaticContact CE2-CD2 3.86Å; F395-W406 HydrophobicContact CE2-CD2 3.86Å; F395-W406 AromaticContact CE2-CE2 3.41Å; F395-W406 VanDerWaalsContact CE2-CE2 3.41Å; F395-W406 HydrophobicContact CE2-CE3 4.21Å; F395-W406 HydrophobicContact CE2-CG 4.48Å; F395-W406 AromaticContact CE2-CH2 3.83Å; F395-W406 HydrophobicContact CE2-CH2 3.83Å; F395-W406 AromaticContact CE2-CZ2 3.43Å; F395-W406 HydrophobicContact CE2-CZ2 3.43Å; F395-W406 VanDerWaalsContact CE2-CZ2 3.43Å; F395-W406 HydrophobicContact CE2-CZ3 4.19Å; F395-W406 AromaticContact CE2-NE1 3.79Å; F395-W406 HydrophobicContact CZ-CB 4.45Å; F395-W406 AromaticContact CZ-CD1 3.69Å; F395-W406 AromaticContact CZ-CD2 3.33Å; F395-W406 HydrophobicContact CZ-CD2 3.33Å; F395-W406 AromaticContact CZ-CE2 3.35Å; F395-W406 AromaticContact CZ-CE3 3.78Å; F395-W406 HydrophobicContact CZ-CE3 3.78Å; F395-W406 AromaticContact CZ-CG 3.62Å; F395-W406 HydrophobicContact CZ-CG 3.62Å; F395-W406 HydrophobicContact CZ-CH2 4.24Å; F395-W406 AromaticContact CZ-CZ2 3.85Å; F395-W406 HydrophobicContact CZ-CZ2 3.85Å; F395-W406 HydrophobicContact CZ-CZ3 4.2Å; F395-W406 AromaticContact CZ-NE1 3.57Å; S403-W406 PolarHBondContact O-N 2.91Å; S403-W406 PolarHBondContact OG-N 2.91Å; W406-I408 VanDerWaalsContact C-N 3.34Å; W406-V409 HydrophobicContact CE3-CB 3.98Å; W406-V409 HydrophobicContact CE3-CG1 4.1Å; W406-V409 HydrophobicContact CE3-CG2 4.18Å; W406-V409 HydrophobicContact CZ3-CB 4.39Å; W406-V409 HydrophobicContact CZ3-CG1 4.07Å; W406-V409 HydrophobicContact CZ3-CG2 4.42Å; W406-V409 PolarHBondContact O-N 3.33Å; W406-R410 VanDerWaalsContact O-CB 3.27Å; W406-R410 WeakPolarHBondContact O-CB 3.27Å; W406-R410 PolarHBondContact O-N 3.12Å; W406-L430 HydrophobicContact CB-CD1 4.46Å
407	N	80.2	Confident	85.2	Confident	41 Å²	41	70.5 Å²	70.5	22%	0.219	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-43.8	169.4	-73.7	-27.1	0	0	0	111.1	S403 L404 F405 R410 D411	S403-N407 WeakPolarHBondContact O-CB 3.19Å; S403-N407 PolarHBondContact O-N 2.99Å; S403-N407 PolarHBondContact O-ND2 3.19Å; L404-N407 PolarHBondContact O-N 3.47Å; F405-N407 VanDerWaalsContact C-N 3.32Å; F405-N407 PolarHBondContact O-N 2.91Å; N407-R410 PolarHBondContact O-N 2.8Å; N407-R410 PolarHBondContact OD1-NH1 3.39Å; N407-D411 VanDerWaalsContact O-CB 3.27Å; N407-D411 WeakPolarHBondContact O-CB 3.18Å; N407-D411 PolarHBondContact O-N 3.21Å
408	I	69.7	Low	85.2	Confident	107 Å²	107	78.7 Å²	78.7	55%	0.549	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.3	-66.6	164.9	0	0	0	111.1	L404 F405 W406 D411 F412	L404-I408 HydrophobicContact CD1-CD1 4.34Å; L404-I408 HydrophobicContact CG-CD1 4.23Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.38Å; L404-I408 VanDerWaalsContact O-N 3.16Å; F405-I408 WeakPolarHBondContact O-CB 3.32Å; F405-I408 PolarHBondContact O-N 2.87Å; F405-I408 VanDerWaalsContact O-N 3.15Å; W406-I408 VanDerWaalsContact C-N 3.34Å; I408-D411 PolarHBondContact O-N 3.02Å; I408-F412 PolarHBondContact O-N 2.93Å; I408-F412 VanDerWaalsContact O-N 3.08Å
409	V	75.1	Confident	85.3	Confident	55 Å²	55	84.6 Å²	84.6	33%	0.333	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-44.8	178.8	175.9	0	0	0	0	111.3	F405 W406 F412	F405-V409 HydrophobicContact CD1-CG2 4.46Å; F405-V409 HydrophobicContact CE1-CG2 4.01Å; F405-V409 HydrophobicContact CE2-CG2 4.44Å; F405-V409 HydrophobicContact CZ-CG2 4Å; F405-V409 PolarHBondContact O-N 3.38Å; F405-V409 VanDerWaalsContact O-N 3.1Å; W406-V409 HydrophobicContact CE3-CB 3.98Å; W406-V409 HydrophobicContact CE3-CG1 4.1Å; W406-V409 HydrophobicContact CE3-CG2 4.18Å; W406-V409 HydrophobicContact CZ3-CB 4.39Å; W406-V409 HydrophobicContact CZ3-CG1 4.07Å; W406-V409 HydrophobicContact CZ3-CG2 4.42Å; W406-V409 PolarHBondContact O-N 3.33Å; V409-F412 WeakPolarHBondContact O-CB 3.47Å; V409-F412 PolarHBondContact O-N 2.91Å
410	R	83.6	Confident	85.4	Confident	30 Å²	30	83.7 Å²	83.7	11%	0.113	42%	0.416	C	S	.	.	H	α-helix	trans	-58.5	-48.4	173.6	171.9	-161.6	76.1	-157.1	-4.3	111.1	W406 N407 F412 I413 K414 I429 L430	W406-R410 VanDerWaalsContact O-CB 3.27Å; W406-R410 WeakPolarHBondContact O-CB 3.27Å; W406-R410 PolarHBondContact O-N 3.12Å; N407-R410 PolarHBondContact O-N 2.8Å; N407-R410 PolarHBondContact OD1-NH1 3.39Å; R410-F412 PolarHBondContact O-N 2.86Å; R410-I413 CarbonylContact O-C 3.17Å; R410-I413 WeakPolarHBondContact O-CA 3.37Å; R410-I413 WeakPolarHBondContact O-CB 3.28Å; R410-I413 PolarHBondContact O-N 2.95Å; R410-K414 CarbonylContact O-C 3.45Å; R410-K414 PolarHBondContact O-N 2.92Å; R410-I429 WeakPolarHBondContact CD-O 3.48Å; R410-I429 PolarHBondContact NH1-O 3.37Å; R410-I429 VanDerWaalsContact NH1-O 3.08Å; R410-L430 VanDerWaalsContact CG-O 3.24Å; R410-L430 WeakPolarHBondContact CG-O 3.44Å
411	D	81.6	Confident	85.7	Confident	59 Å²	59	84.3 Å²	84.3	32%	0.316	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-23.7	-174	-68.7	-16.4	0	0	0	112.5	N407 I408 I413 T415	N407-D411 VanDerWaalsContact O-CB 3.27Å; N407-D411 WeakPolarHBondContact O-CB 3.18Å; N407-D411 PolarHBondContact O-N 3.21Å; I408-D411 PolarHBondContact O-N 3.02Å; D411-I413 VanDerWaalsContact C-N 3.31Å; D411-T415 WeakPolarHBondContact CB-OG1 3.45Å; D411-T415 WeakPolarHBondContact OD1-CA 3.34Å; D411-T415 PolarHBondContact OD1-OG1 2.76Å
412	F	78.5	Confident	86.3	Confident	188 Å²	188	82.5 Å²	82.5	83%	0.825	41%	0.414	S	S	*	.	H	α-helix	trans	-64.9	-33.8	168.4	-176.8	-97.7	0	0	0	112.8	I408 V409 R410	I408-F412 PolarHBondContact O-N 2.93Å; I408-F412 VanDerWaalsContact O-N 3.08Å; V409-F412 WeakPolarHBondContact O-CB 3.47Å; V409-F412 PolarHBondContact O-N 2.91Å; R410-F412 PolarHBondContact O-N 2.86Å
413	I	82.3	Confident	87.4	Confident	106 Å²	106	82.1 Å²	82.1	54%	0.544	41%	0.406	S	S	.	.	H	α-helix	trans	-84.7	-56	177.8	-61.7	170.5	0	0	0	110.2	R410 D411 M436 W442	R410-I413 CarbonylContact O-C 3.17Å; R410-I413 WeakPolarHBondContact O-CA 3.37Å; R410-I413 WeakPolarHBondContact O-CB 3.28Å; R410-I413 PolarHBondContact O-N 2.95Å; D411-I413 VanDerWaalsContact C-N 3.31Å; I413-M436 HydrophobicContact CG2-CE 3.35Å; I413-W442 HydrophobicContact CG2-CH2 4.35Å
414	K	90.3	Very high	88.2	Confident	75 Å²	75	80.1 Å²	80.1	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-164.4	116.4	179.5	175.8	67.1	-176.7	-157.9	0	110.2	R410 P416 A432 E435 M436	R410-K414 CarbonylContact O-C 3.45Å; R410-K414 PolarHBondContact O-N 2.92Å; K414-P416 WeakPolarHBondContact O-CD 3.39Å; K414-A432 HydrophobicContact CG-CB 4.31Å; K414-E435 VanDerWaalsContact CE-CB 3.46Å; K414-E435 WeakPolarHBondContact CE-O 3.42Å; K414-E435 VanDerWaalsContact CE-OE2 3.22Å; K414-E435 WeakPolarHBondContact CE-OE2 3.25Å; K414-E435 PolarHBondContact NZ-O 3.24Å; K414-E435 IonicContact NZ-OE2 3.71Å; K414-M436 HydrophobicContact CB-CE 4.15Å; K414-M436 HydrophobicContact CB-CG 3.91Å; K414-M436 HydrophobicContact CB-SD 3.94Å; K414-M436 HydrophobicContact CG-CG 3.8Å; K414-M436 HydrophobicContact CG-SD 4.33Å
415	T	93.8	Very high	89.2	Confident	80 Å²	80	75.9 Å²	75.9	49%	0.491	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71	122	167.3	-51.8	0	0	0	0	110.4	D411	D411-T415 WeakPolarHBondContact CB-OG1 3.45Å; D411-T415 WeakPolarHBondContact OD1-CA 3.34Å; D411-T415 PolarHBondContact OD1-OG1 2.76Å
416	P	94.8	Very high	89.9	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.039	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.7	140.1	174.6	-16	28.1	0	0	0	111	K414 L420 I421 I429 A432	K414-P416 WeakPolarHBondContact O-CD 3.39Å; P416-L420 HydrophobicContact CB-CD2 4.33Å; P416-I421 HydrophobicContact CB-CD1 4.28Å; P416-I421 HydrophobicContact CB-CG1 3.95Å; P416-I429 HydrophobicContact CB-CD1 3.97Å; P416-I429 HydrophobicContact CB-CG2 4.29Å; P416-I429 HydrophobicContact CG-CB 4.08Å; P416-I429 HydrophobicContact CG-CD1 4.43Å; P416-I429 HydrophobicContact CG-CG2 3.75Å; P416-A432 HydrophobicContact CB-CB 3.99Å; P416-A432 HydrophobicContact CG-CB 4.03Å
417	S	97	Very high	90.6	Very high	43 Å²	43	70.6 Å²	70.6	30%	0.301	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-65.2	154.4	173.9	72.9	0	0	0	0	112.5	K419 L420 I421 E435	S417-K419 PolarHBondContact O-N 3.31Å; S417-L420 PolarHBondContact O-N 3.17Å; S417-L420 VanDerWaalsContact O-N 3.08Å; S417-L420 WeakPolarHBondContact OG-CB 3.31Å; S417-L420 PolarHBondContact OG-N 3.11Å; S417-L420 VanDerWaalsContact OG-N 3.12Å; S417-I421 WeakPolarHBondContact O-CG1 3.31Å; S417-I421 PolarHBondContact O-N 3.39Å; S417-E435 WeakPolarHBondContact CB-OE1 3.42Å; S417-E435 PolarHBondContact N-OE1 2.84Å; S417-E435 VanDerWaalsContact N-OE1 3.08Å; S417-E435 PolarHBondContact N-OE2 3.34Å; S417-E435 VanDerWaalsContact N-OE2 3.1Å; S417-E435 PolarHBondContact OG-OE1 2.72Å
418	E	96.8	Very high	91.4	Very high	174 Å²	174	69.3 Å²	69.3	81%	0.813	35%	0.353	S	S	*	.	H	α-helix	trans	-57.9	-34.8	173.5	-67	-174.6	170	0	0	112.2	K422	E418-K422 WeakPolarHBondContact O-CB 3.29Å; E418-K422 PolarHBondContact O-N 2.93Å
419	K	96.9	Very high	92.7	Very high	135 Å²	135	64.5 Å²	64.5	59%	0.587	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-48.6	174.9	-178.1	-169.2	173.1	-162.6	0	110.5	S417 K422 C423	S417-K419 PolarHBondContact O-N 3.31Å; K419-K422 PolarHBondContact O-N 3.4Å; K419-C423 WeakPolarHBondContact O-CB 3.29Å; K419-C423 PolarHBondContact O-N 2.88Å
420	L	97.5	Very high	93.7	Very high	6 Å²	6	63 Å²	63	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-44.2	-179.6	-177.2	61.2	0	0	0	111.7	C374 E375 A377 P416 S417 K422 C423 Q424 I429 A432 E435	C374-L420 HydrophobicContact CB-CD1 4.48Å; E375-L420 HydrophobicContact CB-CD1 4.04Å; E375-L420 WeakPolarHBondContact O-CD1 3.38Å; A377-L420 HydrophobicContact CB-CD1 4.49Å; A377-L420 HydrophobicContact CB-CD2 4.34Å; P416-L420 HydrophobicContact CB-CD2 4.33Å; S417-L420 PolarHBondContact O-N 3.17Å; S417-L420 VanDerWaalsContact O-N 3.08Å; S417-L420 WeakPolarHBondContact OG-CB 3.31Å; S417-L420 PolarHBondContact OG-N 3.11Å; S417-L420 VanDerWaalsContact OG-N 3.12Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.99Å; L420-C423 PolarHBondContact O-N 3.04Å; L420-Q424 HydrophobicContact CD1-CG 3.72Å; L420-Q424 HydrophobicContact CG-CG 4.21Å; L420-Q424 WeakPolarHBondContact O-CB 3.49Å; L420-Q424 VanDerWaalsContact O-CG 3.32Å; L420-Q424 WeakPolarHBondContact O-CG 3.45Å; L420-Q424 PolarHBondContact O-N 3.29Å; L420-I429 HydrophobicContact CB-CD1 4.46Å; L420-I429 HydrophobicContact CD2-CD1 4.03Å; L420-I429 HydrophobicContact CG-CD1 3.69Å; L420-A432 HydrophobicContact CD2-CB 3.69Å; L420-E435 VanDerWaalsContact CB-OE1 3.27Å; L420-E435 WeakPolarHBondContact CB-OE1 3.19Å; L420-E435 HydrophobicContact CD2-CG 3.99Å
421	I	97.4	Very high	94.2	Very high	80 Å²	80	62.9 Å²	62.9	41%	0.41	32%	0.32	S	S	.	.	H	α-helix	trans	-56.6	-48.1	176.2	-66.9	168.2	0	0	0	110.6	P416 S417 C423 Q424 A425 I429	P416-I421 HydrophobicContact CB-CD1 4.28Å; P416-I421 HydrophobicContact CB-CG1 3.95Å; S417-I421 WeakPolarHBondContact O-CG1 3.31Å; S417-I421 PolarHBondContact O-N 3.39Å; I421-C423 PolarHBondContact O-N 2.75Å; I421-Q424 PolarHBondContact O-N 2.81Å; I421-A425 PolarHBondContact O-N 2.83Å; I421-A425 VanDerWaalsContact O-N 3.15Å; I421-I429 HydrophobicContact CG1-CD1 4.09Å
422	K	97.4	Very high	94.9	Very high	177 Å²	177	60.1 Å²	60.1	77%	0.77	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-40.2	179.5	-174.2	178.7	178.6	-177.8	0	112.2	E418 K419 L420	E418-K422 WeakPolarHBondContact O-CB 3.29Å; E418-K422 PolarHBondContact O-N 2.93Å; K419-K422 PolarHBondContact O-N 3.4Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.99Å
423	C	98	Very high	95.8	Very high	25 Å²	25	51.2 Å²	51.2	17%	0.169	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-41.5	179.7	-166.6	0	0	0	0	112	C374 K419 L420 I421	C374-C423 WeakPolarHBondContact CA-SG 3.35Å; C374-C423 HydrophobicContact CB-CB 3.9Å; C374-C423 WeakPolarHBondContact CB-SG 3.48Å; C374-C423 WeakPolarHBondContact SG-CB 3.33Å; C374-C423 PolarHBondContact SG-O 2.8Å; C374-C423 CovalentContact SG-SG 2.04Å; C374-C423 PolarHBondContact SG-SG 3.2Å; K419-C423 WeakPolarHBondContact O-CB 3.29Å; K419-C423 PolarHBondContact O-N 2.88Å; L420-C423 PolarHBondContact O-N 3.04Å; I421-C423 PolarHBondContact O-N 2.75Å
424	Q	98.2	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-81.7	-12.1	-175.6	-69.3	-78.5	-5	0	0	113.6	C374 E375 A377 L420 I421 K427 I429 Y518 I529	C374-Q424 HydrophobicContact CB-CG 4.23Å; E375-Q424 PolarHBondContact O-NE2 3.48Å; A377-Q424 HydrophobicContact CB-CG 4.06Å; L420-Q424 HydrophobicContact CD1-CG 3.72Å; L420-Q424 HydrophobicContact CG-CG 4.21Å; L420-Q424 WeakPolarHBondContact O-CB 3.49Å; L420-Q424 VanDerWaalsContact O-CG 3.32Å; L420-Q424 WeakPolarHBondContact O-CG 3.45Å; L420-Q424 PolarHBondContact O-N 3.29Å; I421-Q424 PolarHBondContact O-N 2.81Å; Q424-K427 HydrophobicContact CB-CB 4.36Å; Q424-K427 HydrophobicContact CB-CD 4.47Å; Q424-K427 WeakPolarHBondContact O-CB 3.35Å; Q424-K427 PolarHBondContact O-N 2.96Å; Q424-I429 HydrophobicContact CB-CD1 4.08Å; Q424-I429 HydrophobicContact CB-CG1 4.19Å; Q424-I429 HydrophobicContact CG-CD1 4.1Å; Q424-I429 HydrophobicContact CG-CG1 4.41Å; Q424-Y518 WeakPolarHBondContact O-CE1 3.42Å; Q424-Y518 PolarHBondContact O-OH 3.1Å; Q424-Y518 PolarHBondContact OE1-OH 2.89Å; Q424-I529 PolarHBondContact NE2-O 3Å
425	A	97.4	Very high	96.8	Very high	51 Å²	51	44.6 Å²	44.6	42%	0.421	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	138.4	-178	0	0	0	0	0	112.3	I421	I421-A425 PolarHBondContact O-N 2.83Å; I421-A425 VanDerWaalsContact O-N 3.15Å
426	P	97.9	Very high	96.9	Very high	38 Å²	38	41.6 Å²	41.6	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.6	9.1	8.2	36.2	-38.1	0	0	0	115	P428	P426-P428 VanDerWaalsContact O-CD 3.26Å; P426-P428 WeakPolarHBondContact O-CD 3.22Å
427	K	98.5	Very high	96.8	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.03	24%	0.241	C	C	.	.			trans	-59.3	119.6	-179.2	175.8	-172.5	-66.9	166	0	111.4	A377 G379 Q424 I429 Y518 Q521 A526 T528	A377-K427 PolarHBondContact O-NZ 3.36Å; G379-K427 VanDerWaalsContact CA-CG 3.49Å; Q424-K427 HydrophobicContact CB-CB 4.36Å; Q424-K427 HydrophobicContact CB-CD 4.47Å; Q424-K427 WeakPolarHBondContact O-CB 3.35Å; Q424-K427 PolarHBondContact O-N 2.96Å; K427-I429 PolarHBondContact O-N 3.44Å; K427-Y518 HydrophobicContact CB-CE1 4.45Å; K427-Y518 VanDerWaalsContact CB-OH 3.28Å; K427-Y518 WeakPolarHBondContact CB-OH 3.35Å; K427-Y518 WeakPolarHBondContact CE-OH 3.49Å; K427-Y518 PolarHBondContact NZ-OH 2.99Å; K427-Q521 HydrophobicContact CB-CG 4.5Å; K427-Q521 VanDerWaalsContact CG-OE1 3.26Å; K427-A526 VanDerWaalsContact CE-O 3.32Å; K427-A526 WeakPolarHBondContact CE-O 3.46Å; K427-T528 PolarHBondContact NZ-O 3.17Å
428	P	97	Very high	96.4	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.091	26%	0.261	C	S	.	.			trans	-74.9	111.2	165.9	30.2	-30.3	0	0	0	108.2	G379 F380 T399 P426 L430	G379-P428 CarbonylContact C-O 3.56Å; G379-P428 WeakPolarHBondContact CA-O 3.38Å; F380-P428 HydrophobicContact CB-CG 4.07Å; F380-P428 HydrophobicContact CD2-CB 3.92Å; F380-P428 HydrophobicContact CD2-CG 4.17Å; F380-P428 WeakPolarHBondContact CD2-O 3.4Å; F380-P428 HydrophobicContact CE2-CB 4.28Å; F380-P428 HydrophobicContact CG-CB 4.31Å; F380-P428 HydrophobicContact CG-CG 4.16Å; F380-P428 PolarHBondContact N-O 3.04Å; T399-P428 HydrophobicContact CG2-CG 4.18Å; T399-P428 WeakPolarHBondContact O-CD 3.41Å; T399-P428 WeakPolarHBondContact O-CG 3.45Å; P426-P428 VanDerWaalsContact O-CD 3.26Å; P426-P428 WeakPolarHBondContact O-CD 3.22Å; P428-L430 PolarHBondContact O-N 2.95Å
429	I	97	Very high	96.2	Very high	5 Å²	5	45 Å²	45	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122	-176.5	-61.3	167.1	0	0	0	109.9	A377 R410 P416 L420 I421 Q424 K427 A432	A377-I429 HydrophobicContact CB-CD1 4.3Å; A377-I429 HydrophobicContact CB-CG1 4.09Å; A377-I429 HydrophobicContact CB-CG2 4.06Å; R410-I429 WeakPolarHBondContact CD-O 3.48Å; R410-I429 PolarHBondContact NH1-O 3.37Å; R410-I429 VanDerWaalsContact NH1-O 3.08Å; P416-I429 HydrophobicContact CB-CD1 3.97Å; P416-I429 HydrophobicContact CB-CG2 4.29Å; P416-I429 HydrophobicContact CG-CB 4.08Å; P416-I429 HydrophobicContact CG-CD1 4.43Å; P416-I429 HydrophobicContact CG-CG2 3.75Å; L420-I429 HydrophobicContact CB-CD1 4.46Å; L420-I429 HydrophobicContact CD2-CD1 4.03Å; L420-I429 HydrophobicContact CG-CD1 3.69Å; I421-I429 HydrophobicContact CG1-CD1 4.09Å; Q424-I429 HydrophobicContact CB-CD1 4.08Å; Q424-I429 HydrophobicContact CB-CG1 4.19Å; Q424-I429 HydrophobicContact CG-CD1 4.1Å; Q424-I429 HydrophobicContact CG-CG1 4.41Å; K427-I429 PolarHBondContact O-N 3.44Å; I429-A432 HydrophobicContact CG2-CB 4.1Å
430	L	95.5	Very high	96.1	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-39.3	169.4	-177.9	62.1	0	0	0	111.6	M378 F380 A383 F395 W406 R410 P428	M378-L430 PolarHBondContact O-N 3.11Å; F380-L430 HydrophobicContact CD2-CB 3.77Å; F380-L430 HydrophobicContact CD2-CD1 4.28Å; F380-L430 HydrophobicContact CE2-CB 4.22Å; F380-L430 HydrophobicContact CE2-CD1 4.2Å; A383-L430 HydrophobicContact CB-CD2 3.6Å; F395-L430 HydrophobicContact CE1-CD1 4.02Å; F395-L430 HydrophobicContact CE1-CD2 3.91Å; F395-L430 HydrophobicContact CZ-CD1 3.8Å; F395-L430 HydrophobicContact CZ-CD2 3.81Å; F395-L430 HydrophobicContact CZ-CG 4.48Å; W406-L430 HydrophobicContact CB-CD1 4.46Å; R410-L430 VanDerWaalsContact CG-O 3.24Å; R410-L430 WeakPolarHBondContact CG-O 3.44Å; P428-L430 PolarHBondContact O-N 2.95Å
431	V	95	Very high	96	Very high	27 Å²	27	40 Å²	40	16%	0.164	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	115	179.3	-165.7	0	0	0	0	109.5	A377 M378 T433 M436 W442	A377-V431 WeakPolarHBondContact CA-O 3.5Å; M378-V431 HydrophobicContact CB-CB 4.29Å; M378-V431 PolarHBondContact N-O 3.23Å; M378-V431 PolarHBondContact O-N 3.36Å; M378-V431 VanDerWaalsContact O-N 3.17Å; V431-T433 VanDerWaalsContact C-N 3.27Å; V431-T433 HydrophobicContact CB-CG2 4.15Å; V431-T433 HydrophobicContact CG1-CG2 3.58Å; V431-T433 PolarHBondContact O-N 3.12Å; V431-T433 VanDerWaalsContact O-N 3.1Å; V431-M436 HydrophobicContact CG1-SD 3.88Å; V431-W442 HydrophobicContact CG1-CE3 3.96Å; V431-W442 HydrophobicContact CG1-CZ3 3.91Å
432	A	96.7	Very high	95.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	21%	0.214	C	C	.	.			trans	-85.6	60.7	-179.9	0	0	0	0	0	111.7	K414 P416 L420 I429 G434 E435 M436	K414-A432 HydrophobicContact CG-CB 4.31Å; P416-A432 HydrophobicContact CB-CB 3.99Å; P416-A432 HydrophobicContact CG-CB 4.03Å; L420-A432 HydrophobicContact CD2-CB 3.69Å; I429-A432 HydrophobicContact CG2-CB 4.1Å; A432-G434 PolarHBondContact O-N 3.08Å; A432-G434 VanDerWaalsContact O-N 3.13Å; A432-E435 HydrophobicContact CB-CB 4.49Å; A432-E435 PolarHBondContact O-N 2.99Å; A432-M436 VanDerWaalsContact O-CG 3.28Å; A432-M436 WeakPolarHBondContact O-CG 3.15Å
433	T	96.8	Very high	95.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30.4	-168.6	48.3	0	0	0	0	114.8	L135 P376 M378 V431 E435 M436 W442 Q443	L135-T433 HydrophobicContact CD1-CG2 4.47Å; L135-T433 HydrophobicContact CD2-CG2 4.29Å; P376-T433 VanDerWaalsContact C-OG1 3.26Å; P376-T433 VanDerWaalsContact CB-OG1 3.28Å; P376-T433 WeakPolarHBondContact CB-OG1 3.22Å; P376-T433 PolarHBondContact O-N 3.42Å; P376-T433 PolarHBondContact O-OG1 3.43Å; P376-T433 VanDerWaalsContact O-OG1 3.12Å; M378-T433 HydrophobicContact CG-CG2 4.49Å; V431-T433 VanDerWaalsContact C-N 3.27Å; V431-T433 HydrophobicContact CB-CG2 4.15Å; V431-T433 HydrophobicContact CG1-CG2 3.58Å; V431-T433 PolarHBondContact O-N 3.12Å; V431-T433 VanDerWaalsContact O-N 3.1Å; T433-E435 VanDerWaalsContact C-N 3.29Å; T433-E435 PolarHBondContact O-N 2.85Å; T433-M436 PolarHBondContact O-N 3.4Å; T433-W442 HydrophobicContact CG2-CB 3.96Å; T433-W442 HydrophobicContact CG2-CE3 4.3Å; T433-Q443 VanDerWaalsContact CB-OE1 3.3Å; T433-Q443 HydrophobicContact CG2-CG 4.01Å; T433-Q443 PolarHBondContact OG1-OE1 2.75Å
434	G	96.9	Very high	95.9	Very high	13 Å²	13	28.1 Å²	28.1	13%	0.134	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-70.9	-21.5	175.7	0	0	0	0	0	114.5	P376 A432	P376-G434 PolarHBondContact O-N 3.31Å; A432-G434 PolarHBondContact O-N 3.08Å; A432-G434 VanDerWaalsContact O-N 3.13Å
435	E	97	Very high	95.8	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.14	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-98.4	10.1	174.8	-59.9	-179.2	179	0	0	112.5	E375 K414 S417 L420 A432 T433	E375-E435 WeakPolarHBondContact OE2-CG 3.21Å; K414-E435 VanDerWaalsContact CE-CB 3.46Å; K414-E435 WeakPolarHBondContact CE-O 3.42Å; K414-E435 VanDerWaalsContact CE-OE2 3.22Å; K414-E435 WeakPolarHBondContact CE-OE2 3.25Å; K414-E435 PolarHBondContact NZ-O 3.24Å; K414-E435 IonicContact NZ-OE2 3.71Å; S417-E435 WeakPolarHBondContact CB-OE1 3.42Å; S417-E435 PolarHBondContact N-OE1 2.84Å; S417-E435 VanDerWaalsContact N-OE1 3.08Å; S417-E435 PolarHBondContact N-OE2 3.34Å; S417-E435 VanDerWaalsContact N-OE2 3.1Å; S417-E435 PolarHBondContact OG-OE1 2.72Å; L420-E435 VanDerWaalsContact CB-OE1 3.27Å; L420-E435 WeakPolarHBondContact CB-OE1 3.19Å; L420-E435 HydrophobicContact CD2-CG 3.99Å; A432-E435 HydrophobicContact CB-CB 4.49Å; A432-E435 PolarHBondContact O-N 2.99Å; T433-E435 VanDerWaalsContact C-N 3.29Å; T433-E435 PolarHBondContact O-N 2.85Å
436	M	94.5	Very high	95.8	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.079	17%	0.166	C	C	.	.			trans	-119.8	100	-176	-63.8	177.9	78.5	0	0	110.5	I413 K414 V431 A432 T433 W442	I413-M436 HydrophobicContact CG2-CE 3.35Å; K414-M436 HydrophobicContact CB-CE 4.15Å; K414-M436 HydrophobicContact CB-CG 3.91Å; K414-M436 HydrophobicContact CB-SD 3.94Å; K414-M436 HydrophobicContact CG-CG 3.8Å; K414-M436 HydrophobicContact CG-SD 4.33Å; V431-M436 HydrophobicContact CG1-SD 3.88Å; A432-M436 VanDerWaalsContact O-CG 3.28Å; A432-M436 WeakPolarHBondContact O-CG 3.15Å; T433-M436 PolarHBondContact O-N 3.4Å; M436-W442 HydrophobicContact CB-CB 4.27Å; M436-W442 HydrophobicContact CB-CD2 3.99Å; M436-W442 HydrophobicContact CB-CG 3.75Å; M436-W442 HydrophobicContact CE-CD2 3.76Å; M436-W442 HydrophobicContact CE-CE3 3.72Å; M436-W442 HydrophobicContact CE-CH2 3.21Å; M436-W442 HydrophobicContact CE-CZ2 3.27Å; M436-W442 HydrophobicContact CE-CZ3 3.45Å; M436-W442 VanDerWaalsContact CE-CZ3 3.45Å; M436-W442 PolarHBondContact O-N 3.31Å; M436-W442 VanDerWaalsContact O-N 3.15Å; M436-W442 HydrophobicContact SD-CD2 4.1Å; M436-W442 HydrophobicContact SD-CE3 3.9Å; M436-W442 HydrophobicContact SD-CH2 4.39Å; M436-W442 HydrophobicContact SD-CZ3 4.05Å
437	N	92.9	Very high	95.8	Very high	94 Å²	94	26.3 Å²	26.3	50%	0.503	15%	0.154	S	C	.	.			trans	-116.4	12.8	-175	-64.8	-55.4	0	0	0	113.7	P439 Y440	N437-P439 CarbonylContact O-C 3.41Å; N437-Y440 CarbonylContact C-O 3.59Å; N437-Y440 CarbonylContact O-C 3.46Å; N437-Y440 VanDerWaalsContact O-CA 3.23Å; N437-Y440 WeakPolarHBondContact O-CA 3.37Å; N437-Y440 PolarHBondContact O-N 3.33Å
438	V	89.9	Confident	95.7	Very high	121 Å²	121	26 Å²	26	73%	0.733	15%	0.153	S	C	*	.	S	Bend	trans	-115.7	129.8	178.3	-179.9	0	0	0	0	109	Y440 W442	V438-Y440 VanDerWaalsContact C-N 3.32Å; V438-W442 PolarHBondContact O-NE1 3.2Å
439	P	91.3	Very high	95.8	Very high	80 Å²	80	25.3 Å²	25.3	52%	0.519	15%	0.148	S	C	.	.	S	Bend	cis	-68.6	-23	-3.6	27.8	-35.5	0	0	0	114.6	V134 N437 F569	V134-P439 HydrophobicContact CG2-CG 4.14Å; N437-P439 CarbonylContact O-C 3.41Å; P439-F569 HydrophobicContact CG-CD1 4.14Å; P439-F569 HydrophobicContact CG-CE1 4.05Å
440	Y	94.5	Very high	95.9	Very high	6 Å²	6	25.1 Å²	25.1	2%	0.024	15%	0.147	C	C	.	.	S	Bend	trans	-152.7	175.7	173.9	47.6	-95.5	0	0	0	107.7	Q132 V134 N437 V438 W442 F564 E567 Q568 F569	Q132-Y440 WeakPolarHBondContact O-CE2 3.38Å; V134-Y440 HydrophobicContact CB-CE2 4.2Å; V134-Y440 HydrophobicContact CG2-CD1 4.41Å; V134-Y440 HydrophobicContact CG2-CD2 3.41Å; V134-Y440 VanDerWaalsContact CG2-CD2 3.41Å; V134-Y440 HydrophobicContact CG2-CE1 4.29Å; V134-Y440 HydrophobicContact CG2-CE2 3.23Å; V134-Y440 HydrophobicContact CG2-CG 4.01Å; V134-Y440 VanDerWaalsContact CG2-O 3.29Å; V134-Y440 WeakPolarHBondContact CG2-O 3.36Å; N437-Y440 CarbonylContact C-O 3.59Å; N437-Y440 CarbonylContact O-C 3.46Å; N437-Y440 VanDerWaalsContact O-CA 3.23Å; N437-Y440 WeakPolarHBondContact O-CA 3.37Å; N437-Y440 PolarHBondContact O-N 3.33Å; V438-Y440 VanDerWaalsContact C-N 3.32Å; Y440-W442 PolarHBondContact O-N 3.47Å; Y440-F564 HydrophobicContact CD2-CD2 4.4Å; Y440-E567 HydrophobicContact CD1-CB 3.7Å; Y440-E567 HydrophobicContact CE1-CB 4.22Å; Y440-E567 VanDerWaalsContact CE1-O 3.26Å; Y440-E567 WeakPolarHBondContact CE1-O 3.31Å; Y440-E567 HydrophobicContact CG-CB 4.44Å; Y440-Q568 PolarHBondContact OH-OE1 3.13Å; Y440-F569 AromaticContact CE1-CD1 3.99Å; Y440-F569 HydrophobicContact CE1-CD1 3.99Å; Y440-F569 HydrophobicContact CE1-CE1 4.15Å; Y440-F569 AromaticContact CZ-CE1 3.95Å; Y440-F569 VanDerWaalsContact OH-CE1 3.3Å; Y440-F569 WeakPolarHBondContact OH-CE1 3.42Å
441	P	96	Very high	96.1	Very high	29 Å²	29	24 Å²	24	19%	0.188	14%	0.141	C	C	.	.			trans	-53	138.9	-177.1	-29.5	37.2	0	0	0	113.8	Y133 V134 F564	Y133-P441 HydrophobicContact CD1-CB 4.26Å; Y133-P441 WeakPolarHBondContact CD1-O 3.48Å; Y133-P441 HydrophobicContact CE1-CB 4.3Å; V134-P441 PolarHBondContact N-O 2.82Å; P441-F564 HydrophobicContact CB-CZ 4.49Å; P441-F564 HydrophobicContact CG-CE1 4.45Å; P441-F564 HydrophobicContact CG-CE2 4.23Å; P441-F564 HydrophobicContact CG-CZ 3.73Å
442	W	96.2	Very high	96.2	Very high	31 Å²	31	22.7 Å²	22.7	12%	0.117	13%	0.133	C	C	.	.	S	Bend	trans	-81.7	-25.1	-176.4	-79.8	40.5	0	0	0	113.8	Y133 V134 L135 F138 I413 V431 T433 M436 V438 Y440	Y133-W442 WeakPolarHBondContact CB-O 3.47Å; V134-W442 HydrophobicContact CB-CB 4.38Å; V134-W442 HydrophobicContact CB-CD2 4.15Å; V134-W442 HydrophobicContact CB-CG 3.8Å; V134-W442 HydrophobicContact CG1-CD2 4.14Å; V134-W442 HydrophobicContact CG1-CG 4.29Å; V134-W442 HydrophobicContact CG1-CZ2 4.23Å; V134-W442 HydrophobicContact CG2-CG 4.35Å; L135-W442 WeakPolarHBondContact CB-O 2.93Å; L135-W442 PolarHBondContact N-O 2.82Å; L135-W442 VanDerWaalsContact N-O 3.11Å; F138-W442 HydrophobicContact CE1-CH2 4.47Å; F138-W442 HydrophobicContact CE2-CD2 4.42Å; F138-W442 AromaticContact CE2-CE3 3.88Å; F138-W442 HydrophobicContact CE2-CE3 3.88Å; F138-W442 AromaticContact CE2-CH2 3.61Å; F138-W442 HydrophobicContact CE2-CH2 3.61Å; F138-W442 HydrophobicContact CE2-CZ2 4.15Å; F138-W442 AromaticContact CE2-CZ3 3.45Å; F138-W442 HydrophobicContact CE2-CZ3 3.45Å; F138-W442 VanDerWaalsContact CE2-CZ3 3.45Å; F138-W442 HydrophobicContact CZ-CE3 4.38Å; F138-W442 AromaticContact CZ-CH2 3.29Å; F138-W442 HydrophobicContact CZ-CH2 3.29Å; F138-W442 AromaticContact CZ-CZ2 3.7Å; F138-W442 HydrophobicContact CZ-CZ2 3.7Å; F138-W442 AromaticContact CZ-CZ3 3.68Å; F138-W442 HydrophobicContact CZ-CZ3 3.68Å; I413-W442 HydrophobicContact CG2-CH2 4.35Å; V431-W442 HydrophobicContact CG1-CE3 3.96Å; V431-W442 HydrophobicContact CG1-CZ3 3.91Å; T433-W442 HydrophobicContact CG2-CB 3.96Å; T433-W442 HydrophobicContact CG2-CE3 4.3Å; M436-W442 HydrophobicContact CB-CB 4.27Å; M436-W442 HydrophobicContact CB-CD2 3.99Å; M436-W442 HydrophobicContact CB-CG 3.75Å; M436-W442 HydrophobicContact CE-CD2 3.76Å; M436-W442 HydrophobicContact CE-CE3 3.72Å; M436-W442 HydrophobicContact CE-CH2 3.21Å; M436-W442 HydrophobicContact CE-CZ2 3.27Å; M436-W442 HydrophobicContact CE-CZ3 3.45Å; M436-W442 VanDerWaalsContact CE-CZ3 3.45Å; M436-W442 PolarHBondContact O-N 3.31Å; M436-W442 VanDerWaalsContact O-N 3.15Å; M436-W442 HydrophobicContact SD-CD2 4.1Å; M436-W442 HydrophobicContact SD-CE3 3.9Å; M436-W442 HydrophobicContact SD-CH2 4.39Å; M436-W442 HydrophobicContact SD-CZ3 4.05Å; V438-W442 PolarHBondContact O-NE1 3.2Å; Y440-W442 PolarHBondContact O-N 3.47Å
443	Q	96.9	Very high	96.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.134	C	C	.	.	S	Bend	trans	-146.3	160	176.1	-76.7	-168.6	-71.4	0	0	110.2	Y133 L135 Y136 P376 T433 S510 I529	Y133-Q443 VanDerWaalsContact CD1-C 3.48Å; L135-Q443 HydrophobicContact CB-CG 4.09Å; L135-Q443 VanDerWaalsContact CD2-CD 3.43Å; L135-Q443 HydrophobicContact CD2-CG 3.67Å; Y136-Q443 PolarHBondContact OH-NE2 3.19Å; P376-Q443 HydrophobicContact CB-CB 3.99Å; P376-Q443 HydrophobicContact CG-CB 4.4Å; T433-Q443 VanDerWaalsContact CB-OE1 3.3Å; T433-Q443 HydrophobicContact CG2-CG 4.01Å; T433-Q443 PolarHBondContact OG1-OE1 2.75Å; Q443-S510 PolarHBondContact NE2-OG 3.16Å; Q443-I529 HydrophobicContact CB-CD1 4.45Å
444	P	97.2	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.			trans	-64.9	138.5	179.7	24.6	-33.5	0	0	0	112.6	Y133 P376 V507 Y530	Y133-P444 HydrophobicContact CD2-CB 4.42Å; Y133-P444 HydrophobicContact CE1-CB 4.18Å; Y133-P444 HydrophobicContact CE2-CB 3.69Å; Y133-P444 HydrophobicContact CE2-CG 4.18Å; Y133-P444 VanDerWaalsContact CZ-CA 3.43Å; P376-P444 WeakPolarHBondContact CG-O 3.49Å; P444-V507 HydrophobicContact CB-CG2 4.41Å; P444-V507 HydrophobicContact CG-CG2 4.44Å; P444-Y530 WeakPolarHBondContact O-CE1 3.01Å; P444-Y530 PolarHBondContact O-OH 2.77Å
445	S	97.4	Very high	96.3	Very high	37 Å²	37	22.8 Å²	22.8	26%	0.259	13%	0.134	S	C	.	.	S	Bend	trans	-97.8	-35.7	161.1	-57.4	0	0	0	0	111.1	M359	M359-S445 PolarHBondContact N-O 2.87Å
446	I	97.8	Very high	96.3	Very high	15 Å²	15	23 Å²	23	8%	0.077	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.7	-179.8	-50.4	-53	0	0	0	109.4	Q92 F356 I357 D358 T559	Q92-I446 PolarHBondContact NE2-O 2.59Å; F356-I446 HydrophobicContact CB-CG2 3.91Å; F356-I446 HydrophobicContact CD1-CG2 4.31Å; F356-I446 HydrophobicContact CG-CG2 4.41Å; I357-I446 WeakPolarHBondContact O-CA 3.37Å; D358-I446 HydrophobicContact CB-CD1 3.58Å; I446-T559 HydrophobicContact CD1-CG2 3.77Å; I446-T559 HydrophobicContact CG1-CG2 4.17Å
447	V	97.7	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.8	177.7	-60.1	0	0	0	0	111.6	F356 I357 M359 T449 V507 Y530 Y538	F356-V447 WeakPolarHBondContact CA-O 3.31Å; I357-V447 HydrophobicContact CD1-CG2 4.05Å; I357-V447 HydrophobicContact CG1-CG2 3.53Å; I357-V447 PolarHBondContact N-O 3.11Å; I357-V447 PolarHBondContact O-N 3.37Å; M359-V447 HydrophobicContact CG-CB 4.42Å; M359-V447 HydrophobicContact CG-CG1 4.24Å; M359-V447 HydrophobicContact CG-CG2 3.34Å; M359-V447 HydrophobicContact SD-CG2 4.19Å; V447-T449 HydrophobicContact CG2-CG2 4.46Å; V447-V507 HydrophobicContact CB-CG1 4.12Å; V447-V507 HydrophobicContact CG1-CG1 4.47Å; V447-Y530 HydrophobicContact CG1-CE2 4.37Å; V447-Y530 WeakPolarHBondContact CG1-OH 3.36Å; V447-Y538 HydrophobicContact CG2-CE1 4.13Å
448	E	96.6	Very high	96.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.7	177.3	-167	166.6	143.7	0	0	109.1	K95 H113 H354 F356 N506 V507	K95-E448 IonicContact NZ-OE1 3.47Å; H113-E448 IonicContact ND1-OE1 2.77Å; H113-E448 IonicContact ND1-OE2 3.96Å; H113-E448 PolarHBondContact ND1-OE2 2.96Å; H354-E448 IonicContact CD2-OE1 3.78Å; H354-E448 VanDerWaalsContact NE2-CG 3.32Å; H354-E448 WeakPolarHBondContact NE2-CG 3.39Å; H354-E448 IonicContact NE2-OE1 3.82Å; F356-E448 HydrophobicContact CD1-CB 3.96Å; F356-E448 HydrophobicContact CD1-CG 4.14Å; F356-E448 HydrophobicContact CE1-CB 3.7Å; F356-E448 HydrophobicContact CE1-CG 3.67Å; F356-E448 WeakPolarHBondContact CE1-OE2 3.34Å; F356-E448 HydrophobicContact CZ-CG 4.32Å; E448-N506 HydrophobicContact CB-CB 3.9Å; E448-N506 HydrophobicContact CG-CB 3.94Å; E448-N506 VanDerWaalsContact OE1-CG 3.32Å; E448-N506 PolarHBondContact OE1-ND2 3.11Å; E448-V507 HydrophobicContact CB-CG1 4.02Å
449	T	98.5	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130	173.1	59.2	0	0	0	0	109.5	H354 Q355 I357 V447 Y538 Q541 F542	H354-T449 CarbonylContact C-O 3.39Å; H354-T449 VanDerWaalsContact CA-O 3.29Å; H354-T449 WeakPolarHBondContact CA-O 3.41Å; Q355-T449 PolarHBondContact N-O 2.71Å; Q355-T449 PolarHBondContact O-N 3.05Å; Q355-T449 PolarHBondContact O-OG1 2.95Å; I357-T449 HydrophobicContact CD1-CG2 3.87Å; I357-T449 HydrophobicContact CG1-CG2 4.09Å; V447-T449 HydrophobicContact CG2-CG2 4.46Å; T449-Y538 HydrophobicContact CG2-CD1 4.37Å; T449-Y538 HydrophobicContact CG2-CE1 4.18Å; T449-Q541 HydrophobicContact CG2-CG 4.01Å; T449-Q541 PolarHBondContact OG1-NE2 3.38Å; T449-F542 HydrophobicContact CG2-CE1 4.41Å; T449-F542 HydrophobicContact CG2-CZ 4.11Å
450	Q	98.7	Very high	97.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143	-171	176.5	-175.3	42.5	0	0	110.9	H113 Q114 V116 I353 H354 V452 A461 N506	H113-Q450 PolarHBondContact O-NE2 3.29Å; H113-Q450 VanDerWaalsContact O-NE2 3.13Å; Q114-Q450 VanDerWaalsContact C-NE2 3.3Å; Q114-Q450 PolarHBondContact O-NE2 2.92Å; V116-Q450 PolarHBondContact O-NE2 3.16Å; V116-Q450 PolarHBondContact O-OE1 2.84Å; I353-Q450 WeakPolarHBondContact O-CA 3.46Å; H354-Q450 HydrophobicContact CB-CB 4.4Å; H354-Q450 HydrophobicContact CB-CG 4.39Å; Q450-V452 HydrophobicContact CG-CG1 4.3Å; Q450-A461 HydrophobicContact CB-CB 3.92Å; Q450-A461 HydrophobicContact CG-CB 4.47Å; Q450-A461 WeakPolarHBondContact O-CB 3.46Å; Q450-A461 PolarHBondContact O-N 3.32Å; Q450-N506 PolarHBondContact OE1-ND2 2.96Å
451	I	98.9	Very high	97.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.4	166.7	-55.6	179.1	0	0	0	107.2	F352 I353 L458 I459 V460 F542 L545 A546 L549	F352-I451 CarbonylContact C-O 3.46Å; F352-I451 VanDerWaalsContact CA-O 3.32Å; F352-I451 WeakPolarHBondContact CA-O 3.31Å; I353-I451 HydrophobicContact CG2-CB 3.97Å; I353-I451 PolarHBondContact N-O 2.81Å; I353-I451 PolarHBondContact O-N 2.77Å; I451-L458 HydrophobicContact CG2-CB 4.02Å; I451-L458 HydrophobicContact CG2-CD2 4.38Å; I451-I459 WeakPolarHBondContact CA-O 3.37Å; I451-V460 HydrophobicContact CD1-CG2 4.32Å; I451-V460 HydrophobicContact CG1-CG2 4.21Å; I451-F542 HydrophobicContact CD1-CD1 4.19Å; I451-F542 HydrophobicContact CG1-CD1 4.03Å; I451-L545 HydrophobicContact CD1-CB 3.81Å; I451-L545 HydrophobicContact CG1-CB 4.32Å; I451-A546 HydrophobicContact CD1-CB 4.07Å; I451-L549 HydrophobicContact CG2-CD2 3.99Å
452	V	98.7	Very high	97.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.8	166.8	-58.6	0	0	0	0	108.8	I80 I82 L117 F352 Q450 I459	I80-V452 HydrophobicContact CB-CB 4.4Å; I80-V452 HydrophobicContact CB-CG1 4.46Å; I80-V452 HydrophobicContact CD1-CB 4.17Å; I80-V452 HydrophobicContact CD1-CG2 4.21Å; I80-V452 HydrophobicContact CG2-CB 4.07Å; I80-V452 HydrophobicContact CG2-CG1 4.17Å; I82-V452 HydrophobicContact CD1-CG2 4.44Å; I82-V452 HydrophobicContact CG1-CG2 4.49Å; L117-V452 HydrophobicContact CD1-CG2 4.07Å; F352-V452 HydrophobicContact CB-CG1 4.04Å; Q450-V452 HydrophobicContact CG-CG1 4.3Å; V452-I459 HydrophobicContact CG2-CB 3.78Å; V452-I459 HydrophobicContact CG2-CD1 4.3Å; V452-I459 HydrophobicContact CG2-CG1 4.44Å; V452-I459 HydrophobicContact CG2-CG2 4.42Å; V452-I459 PolarHBondContact N-O 3.43Å; V452-I459 PolarHBondContact O-N 2.63Å
453	S	98.3	Very high	98	Very high	4 Å²	4	5.1 Å²	5.1	3%	0.028	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.8	-178.1	68	0	0	0	0	113.3	V350 N351 L457 L458	V350-S453 WeakPolarHBondContact CA-O 3.44Å; N351-S453 WeakPolarHBondContact CB-OG 3.43Å; N351-S453 PolarHBondContact N-O 2.8Å; N351-S453 VanDerWaalsContact N-O 3.09Å; N351-S453 PolarHBondContact N-OG 2.82Å; N351-S453 PolarHBondContact O-N 3.37Å; N351-S453 PolarHBondContact O-OG 3.24Å; S453-L457 CarbonylContact C-O 3.48Å; S453-L457 VanDerWaalsContact CA-O 3.24Å; S453-L457 WeakPolarHBondContact CA-O 3.46Å; S453-L458 VanDerWaalsContact CB-CD2 3.49Å
454	I	97.7	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	94.7	172.2	-50.3	167.5	0	0	0	106.2	Y29 I71 I80 I171 I346 L457	Y29-I454 HydrophobicContact CE1-CG2 4.09Å; Y29-I454 HydrophobicContact CE2-CG2 4.31Å; Y29-I454 WeakPolarHBondContact OH-CG2 3.39Å; I71-I454 HydrophobicContact CD1-CD1 3.77Å; I80-I454 HydrophobicContact CD1-CD1 4.16Å; I80-I454 HydrophobicContact CD1-CG1 3.7Å; I171-I454 HydrophobicContact CD1-CD1 4.05Å; I171-I454 HydrophobicContact CD1-CG2 3.97Å; I346-I454 HydrophobicContact CG2-CB 4.14Å; I346-I454 HydrophobicContact CG2-CG2 3.79Å; I346-I454 VanDerWaalsContact CG2-O 3.31Å; I346-I454 WeakPolarHBondContact CG2-O 3.38Å; I454-L457 PolarHBondContact N-O 2.86Å; I454-L457 WeakPolarHBondContact O-CB 3.4Å; I454-L457 PolarHBondContact O-N 2.79Å; I454-L457 VanDerWaalsContact O-N 3.15Å
455	G	95.3	Very high	98.1	Very high	13 Å²	13	5 Å²	5	13%	0.134	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-127.1	-167.1	0	0	0	0	0	111.4	T349 L457	T349-G455 PolarHBondContact O-N 2.78Å; G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.34Å
456	P	96.6	Very high	98.2	Very high	35 Å²	35	3.3 Å²	3.3	23%	0.227	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.8	-179.8	33.4	-35.3	0	0	0	114.4	N347 T495 H496 Y497 E498	N347-P456 WeakPolarHBondContact O-CD 3.27Å; P456-T495 HydrophobicContact CB-CG2 3.89Å; P456-H496 WeakPolarHBondContact CB-O 3.18Å; P456-Y497 HydrophobicContact CB-CD1 4.3Å; P456-Y497 WeakPolarHBondContact O-CA 3.28Å; P456-Y497 WeakPolarHBondContact O-CD1 3.43Å; P456-E498 PolarHBondContact O-N 2.81Å
457	L	98.4	Very high	98.3	Very high	2 Å²	2	2.7 Å²	2.7	1%	0.01	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.3	178	-176.1	67.7	0	0	0	110	L212 I346 S453 I454 G455 E498 I500	L212-L457 HydrophobicContact CD1-CD2 3.9Å; L212-L457 HydrophobicContact CD2-CD2 3.72Å; L212-L457 HydrophobicContact CG-CD2 4.41Å; I346-L457 HydrophobicContact CG1-CD2 4.44Å; I346-L457 HydrophobicContact CG2-CB 4.11Å; I346-L457 HydrophobicContact CG2-CD2 4.39Å; S453-L457 CarbonylContact C-O 3.48Å; S453-L457 VanDerWaalsContact CA-O 3.24Å; S453-L457 WeakPolarHBondContact CA-O 3.46Å; I454-L457 PolarHBondContact N-O 2.86Å; I454-L457 WeakPolarHBondContact O-CB 3.4Å; I454-L457 PolarHBondContact O-N 2.79Å; I454-L457 VanDerWaalsContact O-N 3.15Å; G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.34Å; L457-E498 HydrophobicContact CD1-CB 3.95Å; L457-I500 HydrophobicContact CD1-CD1 3.89Å; L457-I500 HydrophobicContact CD1-CG1 3.99Å; L457-I500 HydrophobicContact CD2-CD1 3.96Å; L457-I500 HydrophobicContact CG-CD1 4.25Å
458	L	98.8	Very high	98.3	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.8	177.1	-53.1	-175.9	0	0	0	110.1	I451 S453 V478 A482 Y497 E498 V499 I500 A546 L549	I451-L458 HydrophobicContact CG2-CB 4.02Å; I451-L458 HydrophobicContact CG2-CD2 4.38Å; S453-L458 VanDerWaalsContact CB-CD2 3.49Å; L458-V478 HydrophobicContact CD1-CG1 3.88Å; L458-A482 HydrophobicContact CD1-CB 3.82Å; L458-Y497 HydrophobicContact CD1-CD1 4.07Å; L458-Y497 HydrophobicContact CD2-CD1 4.03Å; L458-Y497 HydrophobicContact CD2-CE1 4.33Å; L458-Y497 HydrophobicContact CG-CD1 3.99Å; L458-E498 PolarHBondContact N-O 3.48Å; L458-V499 HydrophobicContact CB-CG2 4.14Å; L458-V499 HydrophobicContact CD1-CG2 4.38Å; L458-V499 CarbonylContact O-C 3.59Å; L458-V499 WeakPolarHBondContact O-CA 3.24Å; L458-I500 PolarHBondContact O-N 3.12Å; L458-A546 HydrophobicContact CD1-CB 4.49Å; L458-L549 HydrophobicContact CD2-CD2 3.81Å
459	I	98.9	Very high	98.4	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.9	173	-54.1	173.2	0	0	0	107.6	I82 L117 L212 W227 I451 V452 I500	I82-I459 HydrophobicContact CD1-CD1 3.51Å; L117-I459 HydrophobicContact CD1-CG2 4.1Å; L212-I459 HydrophobicContact CD1-CD1 4.42Å; W227-I459 HydrophobicContact CH2-CD1 4.26Å; W227-I459 HydrophobicContact CZ2-CD1 4.34Å; W227-I459 HydrophobicContact CZ2-CG2 4.39Å; I451-I459 WeakPolarHBondContact CA-O 3.37Å; V452-I459 HydrophobicContact CG2-CB 3.78Å; V452-I459 HydrophobicContact CG2-CD1 4.3Å; V452-I459 HydrophobicContact CG2-CG1 4.44Å; V452-I459 HydrophobicContact CG2-CG2 4.42Å; V452-I459 PolarHBondContact N-O 3.43Å; V452-I459 PolarHBondContact O-N 2.63Å; I459-I500 WeakPolarHBondContact CA-O 3.33Å; I459-I500 HydrophobicContact CG1-CB 4.24Å; I459-I500 HydrophobicContact CG2-CG2 4.43Å
460	V	98.9	Very high	98.4	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118	-176	-177.5	0	0	0	0	109.4	I451 L462 I474 V478 V499 I500 L501 S502 F542	I451-V460 HydrophobicContact CD1-CG2 4.32Å; I451-V460 HydrophobicContact CG1-CG2 4.21Å; V460-L462 HydrophobicContact CG1-CD2 3.85Å; V460-L462 PolarHBondContact O-N 2.82Å; V460-I474 HydrophobicContact CG1-CG2 4.39Å; V460-V478 HydrophobicContact CG2-CG1 4.1Å; V460-V478 HydrophobicContact CG2-CG2 4.37Å; V460-V499 HydrophobicContact CG2-CG1 3.77Å; V460-I500 PolarHBondContact N-O 2.75Å; V460-L501 HydrophobicContact CB-CD2 4.11Å; V460-S502 PolarHBondContact O-N 3.42Å; V460-F542 HydrophobicContact CG1-CD1 3.46Å; V460-F542 VanDerWaalsContact CG1-CD1 3.46Å; V460-F542 HydrophobicContact CG1-CD2 4.12Å; V460-F542 HydrophobicContact CG1-CE1 3.49Å; V460-F542 VanDerWaalsContact CG1-CE1 3.49Å; V460-F542 HydrophobicContact CG1-CE2 4.16Å; V460-F542 HydrophobicContact CG1-CG 3.79Å; V460-F542 HydrophobicContact CG1-CZ 3.86Å
461	A	98.9	Very high	98.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	101.6	-179.9	0	0	0	0	0	110.2	L117 Q450 P463 F542	L117-A461 HydrophobicContact CD1-CB 3.8Å; L117-A461 HydrophobicContact CG-CB 3.95Å; Q450-A461 HydrophobicContact CB-CB 3.92Å; Q450-A461 HydrophobicContact CG-CB 4.47Å; Q450-A461 WeakPolarHBondContact O-CB 3.46Å; Q450-A461 PolarHBondContact O-N 3.32Å; A461-P463 WeakPolarHBondContact O-CD 3.35Å; A461-F542 WeakPolarHBondContact O-CZ 3.38Å
462	L	98.8	Very high	98.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.021	C	C	.	.			trans	-86	116.9	-176.6	-61.3	-176.6	0	0	0	111.3	V460 G464 F466 I474 L501 S502 L504 S505 F542	V460-L462 HydrophobicContact CG1-CD2 3.85Å; V460-L462 PolarHBondContact O-N 2.82Å; L462-G464 PolarHBondContact O-N 3.18Å; L462-F466 HydrophobicContact CB-CD2 3.75Å; L462-F466 HydrophobicContact CB-CE2 3.71Å; L462-F466 HydrophobicContact CD1-CB 4.13Å; L462-F466 HydrophobicContact CD1-CD1 4.48Å; L462-F466 HydrophobicContact CD1-CD2 3.86Å; L462-F466 HydrophobicContact CD1-CE2 4.42Å; L462-F466 HydrophobicContact CD1-CG 3.9Å; L462-F466 HydrophobicContact CD2-CD1 4.46Å; L462-F466 HydrophobicContact CD2-CD2 4.25Å; L462-F466 HydrophobicContact CD2-CE1 4.22Å; L462-F466 HydrophobicContact CD2-CE2 4.01Å; L462-F466 HydrophobicContact CD2-CG 4.48Å; L462-F466 HydrophobicContact CD2-CZ 3.99Å; L462-F466 HydrophobicContact CG-CD2 4.17Å; L462-F466 HydrophobicContact CG-CE2 4.26Å; L462-I474 HydrophobicContact CD2-CG2 4.25Å; L462-L501 HydrophobicContact CD1-CB 3.84Å; L462-L501 HydrophobicContact CD1-CD1 4.23Å; L462-L501 HydrophobicContact CD1-CD2 4.36Å; L462-L501 HydrophobicContact CD1-CG 4.36Å; L462-L501 HydrophobicContact CD2-CD2 4.49Å; L462-L501 HydrophobicContact CG-CB 4.49Å; L462-S502 WeakPolarHBondContact CB-O 3.26Å; L462-S502 PolarHBondContact N-O 3.4Å; L462-L504 PolarHBondContact O-N 2.87Å; L462-L504 VanDerWaalsContact O-N 3.16Å; L462-S505 PolarHBondContact O-N 2.99Å; L462-F542 HydrophobicContact CD2-CE2 3.97Å; L462-F542 HydrophobicContact CD2-CZ 4.31Å
463	P	98.4	Very high	98.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-82.6	46.5	-173.7	34.3	-37.5	0	0	0	114	A461 S505 V507 S509 Y538	A461-P463 WeakPolarHBondContact O-CD 3.35Å; P463-S505 WeakPolarHBondContact CA-O 3.49Å; P463-V507 CarbonylContact C-O 3.54Å; P463-V507 VanDerWaalsContact CA-O 3.28Å; P463-V507 WeakPolarHBondContact CA-O 3.24Å; P463-V507 HydrophobicContact CB-CG1 3.79Å; P463-V507 WeakPolarHBondContact CB-O 3.35Å; P463-V507 VanDerWaalsContact O-O 3.08Å; P463-S509 WeakPolarHBondContact O-CB 3.34Å; P463-S509 PolarHBondContact O-N 2.77Å; P463-S509 PolarHBondContact O-OG 3.43Å; P463-Y538 HydrophobicContact CG-CE1 3.65Å
464	G	98.5	Very high	98.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	159.1	-165.9	-178.2	0	0	0	0	0	112.2	L462 S510	L462-G464 PolarHBondContact O-N 3.18Å; G464-S510 CarbonylContact C-O 3.56Å; G464-S510 WeakPolarHBondContact CA-O 3.39Å
465	E	98.9	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	94.4	-174.1	-41.3	-49.5	171.8	0	0	111.5	H122 L504 Y508 S510 Y511 I512	H122-E465 IonicContact CD2-OE1 3.66Å; H122-E465 IonicContact CE1-OE1 3.27Å; H122-E465 PolarHBondContact CE1-OE1 2.96Å; H122-E465 IonicContact CG-OE1 2.68Å; H122-E465 IonicContact ND1-OE1 3.75Å; H122-E465 IonicContact NE2-OE1 3.68Å; H122-E465 PolarHBondContact NE2-OE1 3.11Å; E465-L504 WeakPolarHBondContact OE1-CD2 3.29Å; E465-L504 WeakPolarHBondContact OE1-CG 3.21Å; E465-L504 WeakPolarHBondContact OE2-CD1 3.3Å; E465-L504 WeakPolarHBondContact OE2-CG 3.48Å; E465-Y508 HydrophobicContact CG-CE2 3.94Å; E465-Y508 WeakPolarHBondContact OE1-CE2 3.04Å; E465-S510 PolarHBondContact N-O 2.64Å; E465-Y511 HydrophobicContact CB-CD1 3.51Å; E465-Y511 HydrophobicContact CB-CD2 4.47Å; E465-Y511 HydrophobicContact CB-CE1 3.51Å; E465-Y511 HydrophobicContact CB-CE2 4.49Å; E465-Y511 HydrophobicContact CB-CG 4.01Å; E465-Y511 HydrophobicContact CG-CD1 4.16Å; E465-Y511 HydrophobicContact CG-CD2 4.4Å; E465-Y511 HydrophobicContact CG-CE1 3.84Å; E465-Y511 HydrophobicContact CG-CE2 4.11Å; E465-Y511 HydrophobicContact CG-CG 4.43Å; E465-Y511 CarbonylContact O-C 3.48Å; E465-Y511 WeakPolarHBondContact O-CA 3.19Å; E465-I512 PolarHBondContact O-N 3.22Å
466	F	98.9	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.1	177.6	-74.7	-116.3	0	0	0	109.5	N277 E278 G279 L462 I474 I512 L535 Y538	N277-F466 CarbonylContact C-O 3.56Å; N277-F466 VanDerWaalsContact CA-O 3.29Å; N277-F466 WeakPolarHBondContact CA-O 3.25Å; N277-F466 HydrophobicContact CB-CB 4.12Å; E278-F466 PolarHBondContact N-O 2.75Å; G279-F466 WeakPolarHBondContact CA-O 3.38Å; G279-F466 PolarHBondContact N-O 3.26Å; L462-F466 HydrophobicContact CB-CD2 3.75Å; L462-F466 HydrophobicContact CB-CE2 3.71Å; L462-F466 HydrophobicContact CD1-CB 4.13Å; L462-F466 HydrophobicContact CD1-CD1 4.48Å; L462-F466 HydrophobicContact CD1-CD2 3.86Å; L462-F466 HydrophobicContact CD1-CE2 4.42Å; L462-F466 HydrophobicContact CD1-CG 3.9Å; L462-F466 HydrophobicContact CD2-CD1 4.46Å; L462-F466 HydrophobicContact CD2-CD2 4.25Å; L462-F466 HydrophobicContact CD2-CE1 4.22Å; L462-F466 HydrophobicContact CD2-CE2 4.01Å; L462-F466 HydrophobicContact CD2-CG 4.48Å; L462-F466 HydrophobicContact CD2-CZ 3.99Å; L462-F466 HydrophobicContact CG-CD2 4.17Å; L462-F466 HydrophobicContact CG-CE2 4.26Å; F466-I474 HydrophobicContact CD1-CG1 4.02Å; F466-I474 HydrophobicContact CE1-CD1 4.09Å; F466-I474 HydrophobicContact CE1-CG1 3.82Å; F466-I512 HydrophobicContact CD1-CB 3.9Å; F466-I512 HydrophobicContact CD1-CG1 4.43Å; F466-I512 HydrophobicContact CD1-CG2 3.77Å; F466-I512 HydrophobicContact CD2-CB 4.04Å; F466-I512 HydrophobicContact CD2-CD1 3.6Å; F466-I512 HydrophobicContact CD2-CG1 3.98Å; F466-I512 HydrophobicContact CE1-CB 4.02Å; F466-I512 HydrophobicContact CE1-CG1 4.15Å; F466-I512 HydrophobicContact CE1-CG2 3.68Å; F466-I512 HydrophobicContact CE2-CB 4.15Å; F466-I512 HydrophobicContact CE2-CD1 3.4Å; F466-I512 VanDerWaalsContact CE2-CD1 3.4Å; F466-I512 HydrophobicContact CE2-CG1 3.66Å; F466-I512 HydrophobicContact CG-CB 3.91Å; F466-I512 HydrophobicContact CG-CD1 4.36Å; F466-I512 HydrophobicContact CG-CG1 4.35Å; F466-I512 HydrophobicContact CG-CG2 4.3Å; F466-I512 HydrophobicContact CZ-CB 4.14Å; F466-I512 HydrophobicContact CZ-CD1 4.04Å; F466-I512 HydrophobicContact CZ-CG1 3.75Å; F466-I512 HydrophobicContact CZ-CG2 4.15Å; F466-L535 HydrophobicContact CD1-CD1 4.21Å; F466-L535 HydrophobicContact CE1-CD1 4.14Å; F466-Y538 HydrophobicContact CE1-CD2 4.05Å; F466-Y538 HydrophobicContact CE1-CG 4.23Å; F466-Y538 HydrophobicContact CZ-CD1 4.4Å; F466-Y538 AromaticContact CZ-CD2 3.57Å; F466-Y538 HydrophobicContact CZ-CD2 3.57Å; F466-Y538 HydrophobicContact CZ-CE2 4.02Å; F466-Y538 AromaticContact CZ-CG 3.78Å; F466-Y538 HydrophobicContact CZ-CG 3.78Å
467	T	98.9	Very high	98.7	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.012	3%	0.033	C	C	.	.			trans	-62.7	166.1	171.3	61.5	0	0	0	0	111.4	D280 M469 S470 G471 I512 A513 E517 E524	D280-T467 HydrophobicContact CB-CG2 4.19Å; T467-M469 PolarHBondContact O-N 2.69Å; T467-S470 WeakPolarHBondContact O-CB 3.31Å; T467-S470 PolarHBondContact O-N 2.92Å; T467-S470 VanDerWaalsContact O-N 3.15Å; T467-S470 VanDerWaalsContact OG1-CB 3.24Å; T467-S470 WeakPolarHBondContact OG1-CB 3.39Å; T467-S470 PolarHBondContact OG1-N 2.77Å; T467-S470 PolarHBondContact OG1-OG 3.46Å; T467-G471 PolarHBondContact O-N 3.1Å; T467-I512 PolarHBondContact N-O 3.38Å; T467-I512 PolarHBondContact OG1-O 2.95Å; T467-A513 HydrophobicContact CG2-CB 4.25Å; T467-E517 WeakPolarHBondContact CB-OE2 3.27Å; T467-E517 WeakPolarHBondContact CG2-OE2 3.29Å; T467-E517 PolarHBondContact OG1-OE2 3.01Å; T467-E524 HydrophobicContact CG2-CB 4.09Å; T467-E524 HydrophobicContact CG2-CG 4.3Å
468	T	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-51.1	-53.5	179.5	-64.3	0	0	0	0	111.2	Y190 N204 N277 D280 V281 G471 R472	Y190-T468 HydrophobicContact CE2-CG2 4.33Å; N204-T468 PolarHBondContact O-OG1 2.94Å; N277-T468 PolarHBondContact ND2-O 3.38Å; D280-T468 WeakPolarHBondContact OD1-CB 2.77Å; D280-T468 PolarHBondContact OD1-N 3.42Å; D280-T468 PolarHBondContact OD1-OG1 3.17Å; V281-T468 WeakPolarHBondContact CG2-OG1 3.26Å; T468-G471 PolarHBondContact O-N 3.04Å; T468-R472 VanDerWaalsContact CG2-CZ 3.46Å; T468-R472 WeakPolarHBondContact O-CG 2.97Å; T468-R472 PolarHBondContact O-N 2.76Å; T468-R472 VanDerWaalsContact O-N 3.14Å
469	M	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-72.5	-32.3	-179.2	-165.2	59.6	72.3	0	0	112.9	Y190 N193 E197 Y201 T467 G471 R472 R473 T514 E517	Y190-M469 HydrophobicContact CE2-CB 4.49Å; Y190-M469 HydrophobicContact CE2-CE 3.7Å; N193-M469 HydrophobicContact CB-CG 4.34Å; N193-M469 WeakPolarHBondContact ND2-CB 3.41Å; E197-M469 HydrophobicContact CG-CE 4.29Å; E197-M469 HydrophobicContact CG-SD 3.9Å; Y201-M469 HydrophobicContact CD2-CE 3.89Å; Y201-M469 HydrophobicContact CD2-SD 4.45Å; Y201-M469 HydrophobicContact CE2-CE 3.78Å; Y201-M469 HydrophobicContact CE2-SD 3.77Å; T467-M469 PolarHBondContact O-N 2.69Å; M469-G471 PolarHBondContact O-N 3.43Å; M469-R472 PolarHBondContact O-N 3.12Å; M469-R472 HydrophobicContact SD-CB 4.12Å; M469-R473 WeakPolarHBondContact O-CG 3.23Å; M469-R473 PolarHBondContact O-N 3.4Å; M469-T514 HydrophobicContact CB-CG2 3.82Å; M469-T514 HydrophobicContact CG-CG2 3.97Å; M469-E517 WeakPolarHBondContact CB-OE1 3.23Å
470	S	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-48.1	173.1	-66.8	0	0	0	0	111.8	T467 R473 I474 I512 A513 T514	T467-S470 WeakPolarHBondContact O-CB 3.31Å; T467-S470 PolarHBondContact O-N 2.92Å; T467-S470 VanDerWaalsContact O-N 3.15Å; T467-S470 VanDerWaalsContact OG1-CB 3.24Å; T467-S470 WeakPolarHBondContact OG1-CB 3.39Å; T467-S470 PolarHBondContact OG1-N 2.77Å; T467-S470 PolarHBondContact OG1-OG 3.46Å; S470-R473 PolarHBondContact O-N 2.87Å; S470-I474 WeakPolarHBondContact O-CG1 3.26Å; S470-I474 PolarHBondContact O-N 3.14Å; S470-I474 VanDerWaalsContact O-N 3.07Å; S470-I512 WeakPolarHBondContact CB-O 3.11Å; S470-I512 PolarHBondContact OG-O 3.45Å; S470-A513 VanDerWaalsContact OG-C 3.25Å; S470-T514 PolarHBondContact OG-N 3.17Å; S470-T514 VanDerWaalsContact OG-N 3.16Å
471	G	98.8	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-42.9	176	0	0	0	0	0	112.8	T467 T468 M469 R473 I474 R475 L501	T467-G471 PolarHBondContact O-N 3.1Å; T468-G471 PolarHBondContact O-N 3.04Å; M469-G471 PolarHBondContact O-N 3.43Å; G471-R473 PolarHBondContact O-N 2.91Å; G471-I474 PolarHBondContact O-N 2.93Å; G471-R475 WeakPolarHBondContact O-CB 3.21Å; G471-R475 PolarHBondContact O-N 2.96Å; G471-L501 WeakPolarHBondContact O-CD1 2.86Å
472	R	98.7	Very high	98.7	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-56.3	-47.8	175.3	-71.4	166.4	178.4	177.9	4.5	112.3	Y190 Y201 E203 V205 D206 T468 M469 I474 R475 E476	Y190-R472 PolarHBondContact OH-NH1 2.94Å; Y201-R472 VanDerWaalsContact CB-NH1 3.28Å; Y201-R472 HydrophobicContact CE1-CB 4.43Å; Y201-R472 HydrophobicContact CE1-CG 4.03Å; Y201-R472 VanDerWaalsContact CG-CZ 3.48Å; E203-R472 PolarHBondContact O-NH1 3.2Å; E203-R472 PolarHBondContact O-NH2 3.47Å; V205-R472 PolarHBondContact O-NH2 3.04Å; D206-R472 IonicContact OD1-CZ 2.8Å; D206-R472 VanDerWaalsContact OD1-CZ 3.29Å; D206-R472 IonicContact OD1-NE 3.54Å; D206-R472 PolarHBondContact OD1-NE 2.74Å; D206-R472 IonicContact OD1-NH2 3.55Å; D206-R472 PolarHBondContact OD1-NH2 2.89Å; T468-R472 VanDerWaalsContact CG2-CZ 3.46Å; T468-R472 WeakPolarHBondContact O-CG 2.97Å; T468-R472 PolarHBondContact O-N 2.76Å; T468-R472 VanDerWaalsContact O-N 3.14Å; M469-R472 PolarHBondContact O-N 3.12Å; M469-R472 HydrophobicContact SD-CB 4.12Å; R472-I474 PolarHBondContact O-N 3.07Å; R472-R475 PolarHBondContact O-N 2.76Å; R472-E476 WeakPolarHBondContact O-CG 3.34Å; R472-E476 PolarHBondContact O-N 2.88Å
473	R	98.6	Very high	98.6	Very high	8 Å²	8	16.3 Å²	16.3	3%	0.03	8%	0.079	C	C	.	.	H	α-helix	trans	-63.4	-40.3	178.3	-72.8	176.6	173.3	-174	2.9	112.7	E197 M469 S470 G471 A477 E516 L535	E197-R473 IonicContact OE1-CZ 2.78Å; E197-R473 IonicContact OE1-NE 3.61Å; E197-R473 PolarHBondContact OE1-NE 3.04Å; E197-R473 IonicContact OE1-NH2 3.56Å; E197-R473 IonicContact OE2-CZ 3.33Å; E197-R473 VanDerWaalsContact OE2-CZ 3.27Å; E197-R473 IonicContact OE2-NE 2.82Å; E197-R473 PolarHBondContact OE2-NE 3.18Å; E197-R473 VanDerWaalsContact OE2-NE 3.07Å; E197-R473 IonicContact OE2-NH2 3.35Å; E197-R473 PolarHBondContact OE2-NH2 3.19Å; M469-R473 WeakPolarHBondContact O-CG 3.23Å; M469-R473 PolarHBondContact O-N 3.4Å; S470-R473 PolarHBondContact O-N 2.87Å; G471-R473 PolarHBondContact O-N 2.91Å; R473-A477 VanDerWaalsContact O-CB 3.29Å; R473-A477 WeakPolarHBondContact O-CB 3.36Å; R473-A477 PolarHBondContact O-N 3.05Å; R473-A477 VanDerWaalsContact O-N 3.09Å; R473-E516 IonicContact CZ-OE1 2.77Å; R473-E516 IonicContact CZ-OE2 2.82Å; R473-E516 IonicContact NH1-OE1 4Å; R473-E516 PolarHBondContact NH1-OE1 3.44Å; R473-E516 IonicContact NH1-OE2 3.93Å; R473-E516 PolarHBondContact NH1-OE2 2.83Å; R473-E516 VanDerWaalsContact NH2-CD 3.3Å; R473-E516 IonicContact NH2-OE1 3.36Å; R473-E516 PolarHBondContact NH2-OE1 3.29Å; R473-E516 IonicContact NH2-OE2 3.16Å; R473-E516 PolarHBondContact NH2-OE2 2.78Å; R473-L535 HydrophobicContact CB-CD2 4.48Å
474	I	98.7	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-50.9	174	-66.8	-71.6	0	0	0	110.6	V460 L462 F466 S470 G471 R472 E476 A477 V478 L501 L535 V539 F542	V460-I474 HydrophobicContact CG1-CG2 4.39Å; L462-I474 HydrophobicContact CD2-CG2 4.25Å; F466-I474 HydrophobicContact CD1-CG1 4.02Å; F466-I474 HydrophobicContact CE1-CD1 4.09Å; F466-I474 HydrophobicContact CE1-CG1 3.82Å; S470-I474 WeakPolarHBondContact O-CG1 3.26Å; S470-I474 PolarHBondContact O-N 3.14Å; S470-I474 VanDerWaalsContact O-N 3.07Å; G471-I474 PolarHBondContact O-N 2.93Å; R472-I474 PolarHBondContact O-N 3.07Å; I474-E476 VanDerWaalsContact C-N 3.33Å; I474-E476 PolarHBondContact O-N 3.42Å; I474-A477 PolarHBondContact O-N 2.86Å; I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.45Å; I474-V478 VanDerWaalsContact O-CG2 3.27Å; I474-V478 WeakPolarHBondContact O-CG2 3.47Å; I474-V478 PolarHBondContact O-N 3.49Å; I474-L501 HydrophobicContact CG2-CD2 3.97Å; I474-L535 HydrophobicContact CD1-CD1 3.97Å; I474-L535 HydrophobicContact CG1-CD1 3.84Å; I474-V539 HydrophobicContact CD1-CB 4.18Å; I474-V539 HydrophobicContact CD1-CG2 3.54Å; I474-V539 HydrophobicContact CG1-CG2 4.27Å; I474-F542 HydrophobicContact CD1-CD2 4.11Å; I474-F542 HydrophobicContact CG2-CD2 4.35Å
475	R	98.8	Very high	98.5	Very high	58 Å²	58	19.1 Å²	19.1	22%	0.219	9%	0.094	C	C	.	.	H	α-helix	trans	-55.4	-49.1	-178.3	-169.3	-175.7	-61.3	114.7	-2.5	111.1	D206 N277 G471 R472 V478 I479 V499 L501	D206-R475 IonicContact OD2-CZ 2.87Å; D206-R475 IonicContact OD2-NH1 3.43Å; D206-R475 PolarHBondContact OD2-NH1 3.27Å; D206-R475 VanDerWaalsContact OD2-NH1 3.14Å; D206-R475 IonicContact OD2-NH2 2.81Å; D206-R475 PolarHBondContact OD2-NH2 3.44Å; N277-R475 PolarHBondContact OD1-NH2 3.5Å; G471-R475 WeakPolarHBondContact O-CB 3.21Å; G471-R475 PolarHBondContact O-N 2.96Å; R472-R475 PolarHBondContact O-N 2.76Å; R475-V478 PolarHBondContact O-N 2.91Å; R475-I479 HydrophobicContact CG-CD1 4.09Å; R475-I479 VanDerWaalsContact O-CG1 3.23Å; R475-I479 WeakPolarHBondContact O-CG1 3.28Å; R475-I479 PolarHBondContact O-N 3.44Å; R475-V499 HydrophobicContact CB-CG1 4.42Å; R475-V499 HydrophobicContact CG-CB 3.87Å; R475-V499 HydrophobicContact CG-CG1 3.93Å; R475-L501 HydrophobicContact CB-CD1 4.42Å; R475-L501 HydrophobicContact CB-CD2 4.43Å
476	E	98.4	Very high	98.4	Very high	59 Å²	59	19.5 Å²	19.5	28%	0.276	10%	0.096	S	C	.	.	H	α-helix	trans	-63.8	-47.7	179.8	-71.4	177.7	-171.5	0	0	112.4	R200 Y201 R472 I474 V478 I479 E480	R200-E476 IonicContact CZ-OE1 2.83Å; R200-E476 IonicContact CZ-OE2 3.66Å; R200-E476 VanDerWaalsContact CZ-OE2 3.27Å; R200-E476 IonicContact NH1-OE1 3.76Å; R200-E476 IonicContact NH1-OE2 3.88Å; R200-E476 PolarHBondContact NH1-OE2 2.83Å; R200-E476 IonicContact NH2-OE1 3.9Å; R200-E476 PolarHBondContact NH2-OE1 2.59Å; R200-E476 IonicContact NH2-OE2 2.89Å; R200-E476 PolarHBondContact NH2-OE2 2.89Å; Y201-E476 PolarHBondContact OH-OE1 2.89Å; R472-E476 WeakPolarHBondContact O-CG 3.34Å; R472-E476 PolarHBondContact O-N 2.88Å; I474-E476 VanDerWaalsContact C-N 3.33Å; I474-E476 PolarHBondContact O-N 3.42Å; E476-V478 VanDerWaalsContact C-N 3.31Å; E476-V478 PolarHBondContact O-N 2.88Å; E476-I479 PolarHBondContact O-N 2.82Å; E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 2.75Å
477	A	98.6	Very high	98.3	Very high	15 Å²	15	25 Å²	25	12%	0.124	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-32	-178.7	0	0	0	0	0	113.2	R473 I474 A481 V539 S543	R473-A477 VanDerWaalsContact O-CB 3.29Å; R473-A477 WeakPolarHBondContact O-CB 3.36Å; R473-A477 PolarHBondContact O-N 3.05Å; R473-A477 VanDerWaalsContact O-N 3.09Å; I474-A477 PolarHBondContact O-N 2.86Å; A477-A481 WeakPolarHBondContact O-CB 3.33Å; A477-A481 PolarHBondContact O-N 2.83Å; A477-V539 HydrophobicContact CB-CG1 3.53Å; A477-S543 WeakPolarHBondContact CB-OG 3.45Å; A477-S543 PolarHBondContact O-OG 3.3Å
478	V	98.8	Very high	98.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-72.1	-43.3	174.7	171.2	0	0	0	0	110.8	L458 V460 I474 R475 E476 A481 A482 V499 F542 A546	L458-V478 HydrophobicContact CD1-CG1 3.88Å; V460-V478 HydrophobicContact CG2-CG1 4.1Å; V460-V478 HydrophobicContact CG2-CG2 4.37Å; I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.45Å; I474-V478 VanDerWaalsContact O-CG2 3.27Å; I474-V478 WeakPolarHBondContact O-CG2 3.47Å; I474-V478 PolarHBondContact O-N 3.49Å; R475-V478 PolarHBondContact O-N 2.91Å; E476-V478 VanDerWaalsContact C-N 3.31Å; E476-V478 PolarHBondContact O-N 2.88Å; V478-A481 PolarHBondContact O-N 3.03Å; V478-A482 VanDerWaalsContact O-CB 3.31Å; V478-A482 WeakPolarHBondContact O-CB 3.43Å; V478-A482 PolarHBondContact O-N 2.8Å; V478-V499 HydrophobicContact CB-CG2 3.98Å; V478-V499 HydrophobicContact CG1-CG2 3.44Å; V478-V499 VanDerWaalsContact CG1-CG2 3.44Å; V478-F542 HydrophobicContact CG2-CB 3.66Å; V478-A546 HydrophobicContact CG1-CB 3.88Å
479	I	98.7	Very high	97.9	Very high	43 Å²	43	34 Å²	34	22%	0.221	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-49.1	176	-72	169.7	0	0	0	110.5	R475 E476 A482 N483 V499	R475-I479 HydrophobicContact CG-CD1 4.09Å; R475-I479 VanDerWaalsContact O-CG1 3.23Å; R475-I479 WeakPolarHBondContact O-CG1 3.28Å; R475-I479 PolarHBondContact O-N 3.44Å; E476-I479 PolarHBondContact O-N 2.82Å; I479-A482 PolarHBondContact O-N 3Å; I479-N483 WeakPolarHBondContact CG2-ND2 3.34Å; I479-N483 WeakPolarHBondContact O-CB 3.28Å; I479-N483 VanDerWaalsContact O-CG 3.23Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 3.39Å; I479-V499 HydrophobicContact CD1-CB 4.3Å; I479-V499 HydrophobicContact CD1-CG2 4.34Å; I479-V499 HydrophobicContact CG1-CB 4.01Å; I479-V499 HydrophobicContact CG1-CG2 3.51Å
480	E	98.3	Very high	97.7	Very high	124 Å²	124	37.8 Å²	37.8	58%	0.579	19%	0.185	S	C	*	.	H	α-helix	trans	-57.7	-52.7	177.7	-177.2	178.4	-174.8	0	0	110.8	E476 A482 N483 D484	E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 2.75Å; E480-A482 PolarHBondContact O-N 2.87Å; E480-N483 PolarHBondContact O-N 3.18Å; E480-D484 WeakPolarHBondContact O-CB 3.2Å; E480-D484 PolarHBondContact O-N 3.2Å
481	A	98.5	Very high	97.4	Very high	6 Å²	6	43.3 Å²	43.3	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-45	180	0	0	0	0	0	113.2	A477 V478 A485 A546 R547	A477-A481 WeakPolarHBondContact O-CB 3.33Å; A477-A481 PolarHBondContact O-N 2.83Å; V478-A481 PolarHBondContact O-N 3.03Å; A481-A485 WeakPolarHBondContact O-CB 3.22Å; A481-A485 PolarHBondContact O-N 2.91Å; A481-A546 HydrophobicContact CB-CB 4.38Å; A481-R547 HydrophobicContact CB-CG 3.89Å; A481-R547 WeakPolarHBondContact O-CG 3.41Å
482	A	98.4	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-44.2	178.7	0	0	0	0	0	112.3	L458 V478 I479 E480 D484 A485 S486 Y497 A546 V550	L458-A482 HydrophobicContact CD1-CB 3.82Å; V478-A482 VanDerWaalsContact O-CB 3.31Å; V478-A482 WeakPolarHBondContact O-CB 3.43Å; V478-A482 PolarHBondContact O-N 2.8Å; I479-A482 PolarHBondContact O-N 3Å; E480-A482 PolarHBondContact O-N 2.87Å; A482-D484 PolarHBondContact O-N 2.93Å; A482-A485 PolarHBondContact O-N 2.92Å; A482-S486 WeakPolarHBondContact O-CB 3.49Å; A482-S486 PolarHBondContact O-N 2.89Å; A482-Y497 HydrophobicContact CB-CD1 3.98Å; A482-Y497 HydrophobicContact CB-CD2 4.03Å; A482-Y497 HydrophobicContact CB-CG 3.66Å; A482-A546 HydrophobicContact CB-CB 4.43Å; A482-V550 HydrophobicContact CB-CG2 3.98Å
483	N	97.7	Very high	96.8	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.112	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-39.5	178.4	-73.6	-38.6	0	0	0	111.9	I479 E480 S486 K487 Y497	I479-N483 WeakPolarHBondContact CG2-ND2 3.34Å; I479-N483 WeakPolarHBondContact O-CB 3.28Å; I479-N483 VanDerWaalsContact O-CG 3.23Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 3.39Å; E480-N483 PolarHBondContact O-N 3.18Å; N483-S486 WeakPolarHBondContact O-CB 3.43Å; N483-S486 PolarHBondContact O-N 3.43Å; N483-K487 WeakPolarHBondContact O-CG 3.44Å; N483-K487 PolarHBondContact O-N 3.5Å; N483-Y497 WeakPolarHBondContact OD1-CD2 3.44Å; N483-Y497 PolarHBondContact OD1-N 2.89Å
484	D	97	Very high	96.5	Very high	59 Å²	59	54.7 Å²	54.7	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-46.2	176.5	-76.2	-8.4	0	0	0	111.7	E480 A482 S486 K487 E488	E480-D484 WeakPolarHBondContact O-CB 3.2Å; E480-D484 PolarHBondContact O-N 3.2Å; A482-D484 PolarHBondContact O-N 2.93Å; D484-S486 PolarHBondContact O-N 3.12Å; D484-K487 PolarHBondContact O-N 2.96Å; D484-E488 WeakPolarHBondContact O-CG 3.3Å; D484-E488 PolarHBondContact O-N 3.24Å
485	A	97.5	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-37.6	175	0	0	0	0	0	112.3	A481 A482 E488 N489 R547 V550 K551	A481-A485 WeakPolarHBondContact O-CB 3.22Å; A481-A485 PolarHBondContact O-N 2.91Å; A482-A485 PolarHBondContact O-N 2.92Å; A485-E488 PolarHBondContact O-N 2.83Å; A485-N489 PolarHBondContact O-N 2.87Å; A485-R547 HydrophobicContact CB-CB 4.17Å; A485-R547 HydrophobicContact CB-CG 4.14Å; A485-V550 HydrophobicContact CB-CB 3.87Å; A485-V550 HydrophobicContact CB-CG1 3.77Å; A485-K551 HydrophobicContact CB-CG 4.14Å
486	S	96.9	Very high	95.9	Very high	8 Å²	8	60.8 Å²	60.8	6%	0.056	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-45.6	175.8	-176.8	0	0	0	0	112.1	A482 N483 D484 E488 N489 N490 S493	A482-S486 WeakPolarHBondContact O-CB 3.49Å; A482-S486 PolarHBondContact O-N 2.89Å; N483-S486 WeakPolarHBondContact O-CB 3.43Å; N483-S486 PolarHBondContact O-N 3.43Å; D484-S486 PolarHBondContact O-N 3.12Å; S486-E488 VanDerWaalsContact C-N 3.34Å; S486-N489 PolarHBondContact O-N 2.87Å; S486-N490 PolarHBondContact O-N 3.05Å; S486-S493 PolarHBondContact OG-OG 2.76Å
487	K	96.3	Very high	95.9	Very high	115 Å²	115	59.5 Å²	59.5	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-33.2	175.6	-70.2	171.6	-174.5	168.2	0	112.7	N483 D484 N490 P491	N483-K487 WeakPolarHBondContact O-CG 3.44Å; N483-K487 PolarHBondContact O-N 3.5Å; D484-K487 PolarHBondContact O-N 2.96Å; K487-N490 CarbonylContact O-C 3.09Å; K487-P491 WeakPolarHBondContact O-CA 3.25Å
488	E	96.3	Very high	95.9	Very high	101 Å²	101	61.6 Å²	61.6	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-41.9	174.7	-76	172.7	-160.5	0	0	112.1	D484 A485 S486 R547 K551	D484-E488 WeakPolarHBondContact O-CG 3.3Å; D484-E488 PolarHBondContact O-N 3.24Å; A485-E488 PolarHBondContact O-N 2.83Å; S486-E488 VanDerWaalsContact C-N 3.34Å; E488-R547 IonicContact OE1-CZ 2.91Å; E488-R547 IonicContact OE1-NH1 2.64Å; E488-R547 IonicContact OE1-NH2 3.65Å; E488-R547 PolarHBondContact OE1-NH2 3.46Å; E488-R547 IonicContact OE2-NH2 3.47Å; E488-R547 PolarHBondContact OE2-NH2 3.47Å; E488-K551 WeakPolarHBondContact OE2-CE 3.42Å; E488-K551 IonicContact OE2-NZ 2.68Å; E488-K551 PolarHBondContact OE2-NZ 3.33Å
489	N	93.5	Very high	95.9	Very high	91 Å²	91	62 Å²	62	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-40.9	174.9	-74.3	-16.4	0	0	0	112	A485 S486 V550	A485-N489 PolarHBondContact O-N 2.87Å; S486-N489 PolarHBondContact O-N 2.87Å; N489-V550 PolarHBondContact ND2-O 3.36Å
490	N	94.5	Very high	95.9	Very high	79 Å²	79	60 Å²	60	42%	0.422	33%	0.325	S	S	.	.			trans	-144.4	104.9	178	179.3	14.1	0	0	0	110.4	S486 K487 S492 S493	S486-N490 PolarHBondContact O-N 3.05Å; K487-N490 CarbonylContact O-C 3.09Å; N490-S492 PolarHBondContact ND2-OG 3.04Å; N490-S492 PolarHBondContact O-N 3.45Å; N490-S492 PolarHBondContact OD1-N 3.23Å; N490-S492 PolarHBondContact OD1-OG 3.14Å; N490-S493 WeakPolarHBondContact O-CB 3.34Å; N490-S493 PolarHBondContact O-N 3.05Å
491	P	93.1	Very high	95.9	Very high	116 Å²	116	54.3 Å²	54.3	75%	0.753	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.7	-178.6	-28.5	36.2	0	0	0	115.4	K487	K487-P491 WeakPolarHBondContact O-CA 3.25Å
492	S	93.5	Very high	95.9	Very high	89 Å²	89	54 Å²	54	62%	0.622	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	4.6	174.5	66.4	0	0	0	0	113.7	N490 T494	N490-S492 PolarHBondContact ND2-OG 3.04Å; N490-S492 PolarHBondContact O-N 3.45Å; N490-S492 PolarHBondContact OD1-N 3.23Å; N490-S492 PolarHBondContact OD1-OG 3.14Å; S492-T494 PolarHBondContact O-N 3.44Å
493	S	91	Very high	95.9	Very high	24 Å²	24	54 Å²	54	17%	0.168	30%	0.296	C	S	.	.			trans	-59.7	124.5	179.2	-176	0	0	0	0	111	S486 N490 T495	S486-S493 PolarHBondContact OG-OG 2.76Å; N490-S493 WeakPolarHBondContact O-CB 3.34Å; N490-S493 PolarHBondContact O-N 3.05Å; S493-T495 PolarHBondContact OG-N 2.77Å; S493-T495 PolarHBondContact OG-OG1 2.82Å
494	T	91.5	Very high	96	Very high	139 Å²	139	53 Å²	53	85%	0.853	29%	0.29	S	S	*	.			trans	-103.1	6.9	171.9	56.6	0	0	0	0	112	S492 H496	S492-T494 PolarHBondContact O-N 3.44Å; T494-H496 PolarHBondContact O-N 3.46Å
495	T	91.9	Very high	96.1	Very high	65 Å²	65	50.2 Å²	50.2	40%	0.399	28%	0.275	S	S	.	.			trans	-61.9	125.7	178.5	-55.7	0	0	0	0	109.9	P456 S493 Y497	P456-T495 HydrophobicContact CB-CG2 3.89Å; S493-T495 PolarHBondContact OG-N 2.77Å; S493-T495 PolarHBondContact OG-OG1 2.82Å; T495-Y497 HydrophobicContact CG2-CD2 4.03Å; T495-Y497 HydrophobicContact CG2-CE2 3.58Å
496	H	94.3	Very high	96.1	Very high	121 Å²	121	50.2 Å²	50.2	56%	0.56	28%	0.275	S	S	*	.			trans	-106.1	118.1	173.1	-173.1	65.8	0	0	0	109.2	P456 T494	P456-H496 WeakPolarHBondContact CB-O 3.18Å; T494-H496 PolarHBondContact O-N 3.46Å
497	Y	97.8	Very high	96.1	Very high	32 Å²	32	49.9 Å²	49.9	13%	0.125	27%	0.273	C	S	.	.			trans	-84	139.4	177.2	-73.5	-96.6	0	0	0	111.4	P456 L458 A482 N483 T495 V550	P456-Y497 HydrophobicContact CB-CD1 4.3Å; P456-Y497 WeakPolarHBondContact O-CA 3.28Å; P456-Y497 WeakPolarHBondContact O-CD1 3.43Å; L458-Y497 HydrophobicContact CD1-CD1 4.07Å; L458-Y497 HydrophobicContact CD2-CD1 4.03Å; L458-Y497 HydrophobicContact CD2-CE1 4.33Å; L458-Y497 HydrophobicContact CG-CD1 3.99Å; A482-Y497 HydrophobicContact CB-CD1 3.98Å; A482-Y497 HydrophobicContact CB-CD2 4.03Å; A482-Y497 HydrophobicContact CB-CG 3.66Å; N483-Y497 WeakPolarHBondContact OD1-CD2 3.44Å; N483-Y497 PolarHBondContact OD1-N 2.89Å; T495-Y497 HydrophobicContact CG2-CD2 4.03Å; T495-Y497 HydrophobicContact CG2-CE2 3.58Å; Y497-V550 HydrophobicContact CD1-CG2 4.4Å; Y497-V550 HydrophobicContact CE1-CG2 3.67Å; Y497-V550 HydrophobicContact CE2-CG1 4.49Å; Y497-V550 HydrophobicContact CE2-CG2 4.28Å
498	E	97.8	Very high	96.2	Very high	60 Å²	60	45.1 Å²	45.1	28%	0.28	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.9	175.5	-66.5	-178.2	-122.6	0	0	109.8	K173 P456 L457 L458	K173-E498 VanDerWaalsContact CE-OE2 3.24Å; K173-E498 WeakPolarHBondContact CE-OE2 3.43Å; K173-E498 IonicContact NZ-OE2 2.8Å; K173-E498 PolarHBondContact NZ-OE2 3.2Å; P456-E498 PolarHBondContact O-N 2.81Å; L457-E498 HydrophobicContact CD1-CB 3.95Å; L458-E498 PolarHBondContact N-O 3.48Å
499	V	98.8	Very high	96.3	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.8	-176.2	171.7	0	0	0	0	111.4	L458 V460 R475 V478 I479 L501	L458-V499 HydrophobicContact CB-CG2 4.14Å; L458-V499 HydrophobicContact CD1-CG2 4.38Å; L458-V499 CarbonylContact O-C 3.59Å; L458-V499 WeakPolarHBondContact O-CA 3.24Å; V460-V499 HydrophobicContact CG2-CG1 3.77Å; R475-V499 HydrophobicContact CB-CG1 4.42Å; R475-V499 HydrophobicContact CG-CB 3.87Å; R475-V499 HydrophobicContact CG-CG1 3.93Å; V478-V499 HydrophobicContact CB-CG2 3.98Å; V478-V499 HydrophobicContact CG1-CG2 3.44Å; V478-V499 VanDerWaalsContact CG1-CG2 3.44Å; I479-V499 HydrophobicContact CD1-CB 4.3Å; I479-V499 HydrophobicContact CD1-CG2 4.34Å; I479-V499 HydrophobicContact CG1-CB 4.01Å; I479-V499 HydrophobicContact CG1-CG2 3.51Å; V499-L501 HydrophobicContact CG1-CD2 3.81Å
500	I	98.8	Very high	96.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.9	163.9	-64.6	174.1	0	0	0	107.9	I210 L212 W227 L457 L458 I459 V460	I210-I500 HydrophobicContact CD1-CG1 4.03Å; I210-I500 HydrophobicContact CG2-CD1 3.73Å; I210-I500 HydrophobicContact CG2-CG1 3.99Å; L212-I500 HydrophobicContact CD1-CD1 4.29Å; L212-I500 HydrophobicContact CD2-CD1 4.49Å; L212-I500 HydrophobicContact CG-CD1 4.34Å; W227-I500 HydrophobicContact CB-CG2 4.07Å; W227-I500 HydrophobicContact CD2-CG2 3.43Å; W227-I500 VanDerWaalsContact CD2-CG2 3.43Å; W227-I500 HydrophobicContact CE3-CD1 4.18Å; W227-I500 HydrophobicContact CE3-CG2 3.96Å; W227-I500 HydrophobicContact CG-CG2 3.46Å; W227-I500 VanDerWaalsContact CG-CG2 3.46Å; W227-I500 HydrophobicContact CZ2-CG2 4.3Å; W227-I500 HydrophobicContact CZ3-CD1 4.19Å; L457-I500 HydrophobicContact CD1-CD1 3.89Å; L457-I500 HydrophobicContact CD1-CG1 3.99Å; L457-I500 HydrophobicContact CD2-CD1 3.96Å; L457-I500 HydrophobicContact CG-CD1 4.25Å; L458-I500 PolarHBondContact O-N 3.12Å; I459-I500 WeakPolarHBondContact CA-O 3.33Å; I459-I500 HydrophobicContact CG1-CB 4.24Å; I459-I500 HydrophobicContact CG2-CG2 4.43Å; V460-I500 PolarHBondContact N-O 2.75Å
501	L	98.9	Very high	96.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.9	172.4	-57.9	-178.6	0	0	0	108.8	A276 N277 V460 L462 G471 I474 R475 V499	A276-L501 WeakPolarHBondContact CA-O 2.94Å; A276-L501 HydrophobicContact CB-CB 4.45Å; N277-L501 HydrophobicContact CB-CD1 4.09Å; V460-L501 HydrophobicContact CB-CD2 4.11Å; L462-L501 HydrophobicContact CD1-CB 3.84Å; L462-L501 HydrophobicContact CD1-CD1 4.23Å; L462-L501 HydrophobicContact CD1-CD2 4.36Å; L462-L501 HydrophobicContact CD1-CG 4.36Å; L462-L501 HydrophobicContact CD2-CD2 4.49Å; L462-L501 HydrophobicContact CG-CB 4.49Å; G471-L501 WeakPolarHBondContact O-CD1 2.86Å; I474-L501 HydrophobicContact CG2-CD2 3.97Å; R475-L501 HydrophobicContact CB-CD1 4.42Å; R475-L501 HydrophobicContact CB-CD2 4.43Å; V499-L501 HydrophobicContact CG1-CD2 3.81Å
502	S	98.9	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	102.6	174.7	-157.5	0	0	0	0	109.7	S119 W227 Q275 V460 L462 S505	S119-S502 WeakPolarHBondContact CB-OG 3.43Å; S119-S502 PolarHBondContact OG-OG 3.46Å; W227-S502 PolarHBondContact NE1-OG 3.17Å; Q275-S502 WeakPolarHBondContact O-CA 3.41Å; V460-S502 PolarHBondContact O-N 3.42Å; L462-S502 WeakPolarHBondContact CB-O 3.26Å; L462-S502 PolarHBondContact N-O 3.4Å; S502-S505 PolarHBondContact O-OG 3.31Å
503	G	98.6	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-60.9	161.7	178.7	0	0	0	0	0	113.3	S119 Q275 A276 S505	S119-G503 PolarHBondContact OG-O 2.81Å; Q275-G503 PolarHBondContact O-N 3.16Å; Q275-G503 VanDerWaalsContact O-N 3.13Å; A276-G503 VanDerWaalsContact O-CA 3.26Å; A276-G503 WeakPolarHBondContact O-CA 3.26Å; A276-G503 PolarHBondContact O-N 2.92Å; G503-S505 PolarHBondContact O-N 3.26Å; G503-S505 VanDerWaalsContact O-N 3.12Å; G503-S505 PolarHBondContact O-OG 2.84Å
504	L	98.7	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	50.9	38.1	173.8	-55.4	88	0	0	0	115.4	G88 M89 V90 A120 H122 Q275 E278 L462 E465	G88-L504 WeakPolarHBondContact O-CD2 3.39Å; M89-L504 HydrophobicContact CB-CD2 3.9Å; V90-L504 WeakPolarHBondContact CB-O 3.07Å; V90-L504 WeakPolarHBondContact CG2-O 3.32Å; A120-L504 HydrophobicContact CB-CB 4.03Å; A120-L504 HydrophobicContact CB-CD2 4.13Å; H122-L504 HydrophobicContact CB-CD1 4.01Å; H122-L504 HydrophobicContact CB-CD2 3.54Å; H122-L504 HydrophobicContact CB-CG 4.45Å; H122-L504 VanDerWaalsContact ND1-CD2 3.34Å; H122-L504 WeakPolarHBondContact ND1-CD2 3.2Å; Q275-L504 HydrophobicContact CB-CD1 3.8Å; Q275-L504 HydrophobicContact CG-CD1 3.8Å; E278-L504 WeakPolarHBondContact OE1-CD1 3.26Å; L462-L504 PolarHBondContact O-N 2.87Å; L462-L504 VanDerWaalsContact O-N 3.16Å; E465-L504 WeakPolarHBondContact OE1-CD2 3.29Å; E465-L504 WeakPolarHBondContact OE1-CG 3.21Å; E465-L504 WeakPolarHBondContact OE2-CD1 3.3Å; E465-L504 WeakPolarHBondContact OE2-CG 3.48Å
505	S	98.8	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.			trans	-90.6	134.1	-173.5	-62.4	0	0	0	0	112.6	I118 L462 P463 S502 G503 V507	I118-S505 CarbonylContact O-C 3.08Å; I118-S505 WeakPolarHBondContact O-CA 3.22Å; L462-S505 PolarHBondContact O-N 2.99Å; P463-S505 WeakPolarHBondContact CA-O 3.49Å; S502-S505 PolarHBondContact O-OG 3.31Å; G503-S505 PolarHBondContact O-N 3.26Å; G503-S505 VanDerWaalsContact O-N 3.12Å; G503-S505 PolarHBondContact O-OG 2.84Å; S505-V507 PolarHBondContact O-N 2.86Å
506	N	98.4	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	64.5	-43.8	169.5	-55.7	-39.8	0	0	0	117.2	V90 K95 I118 E448 Q450	V90-N506 WeakPolarHBondContact CG1-O 3.39Å; K95-N506 PolarHBondContact NZ-OD1 3.02Å; I118-N506 PolarHBondContact N-OD1 2.83Å; I118-N506 VanDerWaalsContact N-OD1 3.07Å; I118-N506 PolarHBondContact O-N 2.54Å; I118-N506 PolarHBondContact O-OD1 2.91Å; E448-N506 HydrophobicContact CB-CB 3.9Å; E448-N506 HydrophobicContact CG-CB 3.94Å; E448-N506 VanDerWaalsContact OE1-CG 3.32Å; E448-N506 PolarHBondContact OE1-ND2 3.11Å; Q450-N506 PolarHBondContact OE1-ND2 2.96Å
507	V	97.9	Very high	98.5	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.035	C	C	.	.	S	Bend	trans	-148.6	138.4	176.8	56.3	0	0	0	0	110.2	V90 Q92 P444 V447 E448 P463 S505	V90-V507 CarbonylContact O-C 3.55Å; Q92-V507 HydrophobicContact CB-CB 4.03Å; Q92-V507 HydrophobicContact CB-CG2 3.8Å; Q92-V507 HydrophobicContact CG-CB 4.47Å; Q92-V507 HydrophobicContact CG-CG2 4.38Å; P444-V507 HydrophobicContact CB-CG2 4.41Å; P444-V507 HydrophobicContact CG-CG2 4.44Å; V447-V507 HydrophobicContact CB-CG1 4.12Å; V447-V507 HydrophobicContact CG1-CG1 4.47Å; E448-V507 HydrophobicContact CB-CG1 4.02Å; P463-V507 CarbonylContact C-O 3.54Å; P463-V507 VanDerWaalsContact CA-O 3.28Å; P463-V507 WeakPolarHBondContact CA-O 3.24Å; P463-V507 HydrophobicContact CB-CG1 3.79Å; P463-V507 WeakPolarHBondContact CB-O 3.35Å; P463-V507 VanDerWaalsContact O-O 3.08Å; S505-V507 PolarHBondContact O-N 2.86Å
508	Y	98.3	Very high	98.6	Very high	15 Å²	15	6 Å²	6	6%	0.059	3%	0.029	C	C	.	.			trans	-85.9	117.5	173.8	-172.3	-115.8	0	0	0	112	M89 V90 Y136 E465	M89-Y508 HydrophobicContact CB-CD2 3.66Å; M89-Y508 HydrophobicContact CB-CE2 4.35Å; M89-Y508 HydrophobicContact CB-CG 3.79Å; M89-Y508 HydrophobicContact CE-CD1 3.61Å; M89-Y508 HydrophobicContact CE-CD2 4Å; M89-Y508 HydrophobicContact CE-CE1 3.28Å; M89-Y508 HydrophobicContact CE-CE2 3.72Å; M89-Y508 HydrophobicContact CE-CG 3.95Å; M89-Y508 HydrophobicContact CG-CD1 4.09Å; M89-Y508 HydrophobicContact CG-CD2 4.06Å; M89-Y508 HydrophobicContact CG-CG 3.73Å; V90-Y508 PolarHBondContact O-N 3.27Å; Y136-Y508 HydrophobicContact CD1-CD1 4.48Å; Y136-Y508 HydrophobicContact CD1-CE1 4.46Å; Y136-Y508 AromaticContact CE1-CD1 3.82Å; Y136-Y508 HydrophobicContact CE1-CD1 3.82Å; Y136-Y508 AromaticContact CE1-CE1 3.7Å; Y136-Y508 HydrophobicContact CE1-CE1 3.7Å; Y136-Y508 HydrophobicContact CE2-CD1 4.16Å; Y136-Y508 AromaticContact CZ-CD1 3.63Å; Y136-Y508 AromaticContact CZ-CE1 3.91Å; E465-Y508 HydrophobicContact CG-CE2 3.94Å; E465-Y508 WeakPolarHBondContact OE1-CE2 3.04Å
509	S	98	Very high	98.6	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.007	3%	0.033	C	C	.	.			trans	-118.9	31.9	174.1	71.3	0	0	0	0	113.8	P463 I529 Y538	P463-S509 WeakPolarHBondContact O-CB 3.34Å; P463-S509 PolarHBondContact O-N 2.77Å; P463-S509 PolarHBondContact O-OG 3.43Å; S509-I529 WeakPolarHBondContact O-CD1 3.21Å; S509-Y538 PolarHBondContact OG-OH 3.13Å
510	S	98.1	Very high	98.6	Very high	3 Å²	3	8 Å²	8	2%	0.021	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	64.6	-138.3	-179.4	-63.9	0	0	0	0	112.7	Y136 Q443 G464 E465 S527	Y136-S510 PolarHBondContact OH-OG 3.36Å; Y136-S510 VanDerWaalsContact OH-OG 3.06Å; Q443-S510 PolarHBondContact NE2-OG 3.16Å; G464-S510 CarbonylContact C-O 3.56Å; G464-S510 WeakPolarHBondContact CA-O 3.39Å; E465-S510 PolarHBondContact N-O 2.64Å; S510-S527 VanDerWaalsContact CB-O 3.28Å; S510-S527 WeakPolarHBondContact CB-O 3.44Å
511	Y	98.8	Very high	98.5	Very high	6 Å²	6	7.9 Å²	7.9	2%	0.024	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	158	-168.9	-74.5	-99.8	0	0	0	112	R185 H231 G279 E465 Y523 E524 S527 T528	R185-Y511 PolarHBondContact NH2-OH 3.01Å; H231-Y511 PolarHBondContact NE2-OH 3.14Å; G279-Y511 WeakPolarHBondContact O-CE1 3.46Å; E465-Y511 HydrophobicContact CB-CD1 3.51Å; E465-Y511 HydrophobicContact CB-CD2 4.47Å; E465-Y511 HydrophobicContact CB-CE1 3.51Å; E465-Y511 HydrophobicContact CB-CE2 4.49Å; E465-Y511 HydrophobicContact CB-CG 4.01Å; E465-Y511 HydrophobicContact CG-CD1 4.16Å; E465-Y511 HydrophobicContact CG-CD2 4.4Å; E465-Y511 HydrophobicContact CG-CE1 3.84Å; E465-Y511 HydrophobicContact CG-CE2 4.11Å; E465-Y511 HydrophobicContact CG-CG 4.43Å; E465-Y511 CarbonylContact O-C 3.48Å; E465-Y511 WeakPolarHBondContact O-CA 3.19Å; Y511-Y523 HydrophobicContact CD2-CE1 4.07Å; Y511-Y523 HydrophobicContact CE1-CE1 4.35Å; Y511-Y523 HydrophobicContact CE2-CD1 4.3Å; Y511-Y523 AromaticContact CE2-CE1 3.42Å; Y511-Y523 HydrophobicContact CE2-CE1 3.42Å; Y511-Y523 VanDerWaalsContact CE2-CE1 3.42Å; Y511-Y523 AromaticContact CZ-CE1 3.59Å; Y511-E524 WeakPolarHBondContact CB-O 3.48Å; Y511-E524 HydrophobicContact CD1-CB 3.96Å; Y511-E524 HydrophobicContact CD1-CG 3.6Å; Y511-E524 HydrophobicContact CE1-CG 3.99Å; Y511-E524 HydrophobicContact CG-CB 4.34Å; Y511-E524 HydrophobicContact CG-CG 4.4Å; Y511-S527 PolarHBondContact N-O 2.66Å; Y511-S527 VanDerWaalsContact N-O 3.07Å; Y511-T528 VanDerWaalsContact O-CA 3.25Å; Y511-T528 WeakPolarHBondContact O-CA 3.43Å; Y511-T528 PolarHBondContact O-OG1 3.46Å
512	I	98.9	Very high	98.5	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	102.6	174.5	-59.1	79.3	0	0	0	108.1	E465 F466 T467 S470 T534 L535 Y538	E465-I512 PolarHBondContact O-N 3.22Å; F466-I512 HydrophobicContact CD1-CB 3.9Å; F466-I512 HydrophobicContact CD1-CG1 4.43Å; F466-I512 HydrophobicContact CD1-CG2 3.77Å; F466-I512 HydrophobicContact CD2-CB 4.04Å; F466-I512 HydrophobicContact CD2-CD1 3.6Å; F466-I512 HydrophobicContact CD2-CG1 3.98Å; F466-I512 HydrophobicContact CE1-CB 4.02Å; F466-I512 HydrophobicContact CE1-CG1 4.15Å; F466-I512 HydrophobicContact CE1-CG2 3.68Å; F466-I512 HydrophobicContact CE2-CB 4.15Å; F466-I512 HydrophobicContact CE2-CD1 3.4Å; F466-I512 VanDerWaalsContact CE2-CD1 3.4Å; F466-I512 HydrophobicContact CE2-CG1 3.66Å; F466-I512 HydrophobicContact CG-CB 3.91Å; F466-I512 HydrophobicContact CG-CD1 4.36Å; F466-I512 HydrophobicContact CG-CG1 4.35Å; F466-I512 HydrophobicContact CG-CG2 4.3Å; F466-I512 HydrophobicContact CZ-CB 4.14Å; F466-I512 HydrophobicContact CZ-CD1 4.04Å; F466-I512 HydrophobicContact CZ-CG1 3.75Å; F466-I512 HydrophobicContact CZ-CG2 4.15Å; T467-I512 PolarHBondContact N-O 3.38Å; T467-I512 PolarHBondContact OG1-O 2.95Å; S470-I512 WeakPolarHBondContact CB-O 3.11Å; S470-I512 PolarHBondContact OG-O 3.45Å; I512-T534 HydrophobicContact CG1-CG2 4.04Å; I512-T534 HydrophobicContact CG2-CG2 4.2Å; I512-L535 HydrophobicContact CG2-CB 3.74Å; I512-L535 HydrophobicContact CG2-CD1 4.09Å; I512-Y538 HydrophobicContact CD1-CE2 4.36Å; I512-Y538 HydrophobicContact CG1-CD2 3.98Å; I512-Y538 HydrophobicContact CG1-CE2 3.69Å; I512-Y538 HydrophobicContact CG2-CD2 4.24Å
513	A	98.9	Very high	98.5	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.017	4%	0.043	C	C	.	.			trans	-95.4	158.3	172.1	0	0	0	0	0	111.5	T467 S470 E517 T528 L535	T467-A513 HydrophobicContact CG2-CB 4.25Å; S470-A513 VanDerWaalsContact OG-C 3.25Å; A513-E517 HydrophobicContact CB-CB 3.9Å; A513-T528 WeakPolarHBondContact CB-OG1 3.49Å; A513-T528 PolarHBondContact N-OG1 3.33Å; A513-L535 WeakPolarHBondContact O-CB 3.29Å
514	T	98.9	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.			trans	-65.2	156.6	170.1	70.2	0	0	0	0	110.6	N193 M469 S470 E516 E517 Y518 L535	N193-T514 WeakPolarHBondContact OD1-CB 3.31Å; N193-T514 WeakPolarHBondContact OD1-CG2 3.22Å; N193-T514 PolarHBondContact OD1-OG1 2.88Å; M469-T514 HydrophobicContact CB-CG2 3.82Å; M469-T514 HydrophobicContact CG-CG2 3.97Å; S470-T514 PolarHBondContact OG-N 3.17Å; S470-T514 VanDerWaalsContact OG-N 3.16Å; T514-E516 WeakPolarHBondContact CB-OE2 3Å; T514-E516 PolarHBondContact O-N 3.03Å; T514-E516 VanDerWaalsContact O-N 3.11Å; T514-E516 PolarHBondContact OG1-OE2 2.9Å; T514-E517 PolarHBondContact N-OE2 3.33Å; T514-E517 PolarHBondContact O-N 2.84Å; T514-E517 WeakPolarHBondContact OG1-CB 3.19Å; T514-E517 VanDerWaalsContact OG1-CD 3.29Å; T514-E517 VanDerWaalsContact OG1-CG 3.22Å; T514-E517 WeakPolarHBondContact OG1-CG 3.22Å; T514-E517 PolarHBondContact OG1-N 2.69Å; T514-Y518 VanDerWaalsContact O-CB 3.23Å; T514-Y518 WeakPolarHBondContact O-CB 3.29Å; T514-Y518 PolarHBondContact O-N 3.17Å; T514-L535 HydrophobicContact CG2-CD2 3.69Å
515	P	98.5	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-51.8	-32.8	173	-28.5	35.1	0	0	0	113.3	Y369 Q519 P536	Y369-P515 HydrophobicContact CD1-CB 4.15Å; Y369-P515 HydrophobicContact CD2-CB 4.23Å; Y369-P515 HydrophobicContact CD2-CG 4.29Å; Y369-P515 HydrophobicContact CE1-CB 3.7Å; Y369-P515 HydrophobicContact CE2-CB 3.78Å; Y369-P515 HydrophobicContact CE2-CG 4.14Å; Y369-P515 HydrophobicContact CG-CB 4.4Å; Y369-P515 VanDerWaalsContact CZ-CB 3.5Å; P515-Q519 VanDerWaalsContact O-CG 3.3Å; P515-Q519 WeakPolarHBondContact O-CG 3.4Å; P515-Q519 PolarHBondContact O-NE2 3.1Å; P515-P536 HydrophobicContact CG-CG 3.65Å
516	E	98.4	Very high	98.5	Very high	19 Å²	19	9.6 Å²	9.6	9%	0.089	5%	0.046	C	C	.	.	H	α-helix	trans	-72	-54.8	177.4	-59.3	87.1	162	0	0	112	E192 R473 T514 Y518 Q519	E192-E516 HydrophobicContact CB-CB 4.25Å; E192-E516 WeakPolarHBondContact O-CB 3.23Å; R473-E516 IonicContact CZ-OE1 2.77Å; R473-E516 IonicContact CZ-OE2 2.82Å; R473-E516 IonicContact NH1-OE1 4Å; R473-E516 PolarHBondContact NH1-OE1 3.44Å; R473-E516 IonicContact NH1-OE2 3.93Å; R473-E516 PolarHBondContact NH1-OE2 2.83Å; R473-E516 VanDerWaalsContact NH2-CD 3.3Å; R473-E516 IonicContact NH2-OE1 3.36Å; R473-E516 PolarHBondContact NH2-OE1 3.29Å; R473-E516 IonicContact NH2-OE2 3.16Å; R473-E516 PolarHBondContact NH2-OE2 2.78Å; T514-E516 WeakPolarHBondContact CB-OE2 3Å; T514-E516 PolarHBondContact O-N 3.03Å; T514-E516 VanDerWaalsContact O-N 3.11Å; T514-E516 PolarHBondContact OG1-OE2 2.9Å; E516-Y518 PolarHBondContact O-N 3.46Å; E516-Q519 WeakPolarHBondContact O-CB 3.17Å; E516-Q519 PolarHBondContact O-N 3.41Å
517	E	98.8	Very high	98.5	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.019	5%	0.046	C	C	.	.	H	α-helix	trans	-56.5	-37	175.1	-73.9	160.4	-172.5	0	0	111.8	A189 N193 T467 M469 A513 T514 Q519 L520	A189-E517 HydrophobicContact CB-CB 4.19Å; A189-E517 HydrophobicContact CB-CG 4.16Å; A189-E517 VanDerWaalsContact O-CG 3.24Å; A189-E517 WeakPolarHBondContact O-CG 3.4Å; N193-E517 PolarHBondContact ND2-OE1 3.19Å; T467-E517 WeakPolarHBondContact CB-OE2 3.27Å; T467-E517 WeakPolarHBondContact CG2-OE2 3.29Å; T467-E517 PolarHBondContact OG1-OE2 3.01Å; M469-E517 WeakPolarHBondContact CB-OE1 3.23Å; A513-E517 HydrophobicContact CB-CB 3.9Å; T514-E517 PolarHBondContact N-OE2 3.33Å; T514-E517 PolarHBondContact O-N 2.84Å; T514-E517 WeakPolarHBondContact OG1-CB 3.19Å; T514-E517 VanDerWaalsContact OG1-CD 3.29Å; T514-E517 VanDerWaalsContact OG1-CG 3.22Å; T514-E517 WeakPolarHBondContact OG1-CG 3.22Å; T514-E517 PolarHBondContact OG1-N 2.69Å; E517-Q519 PolarHBondContact O-N 3.46Å; E517-L520 PolarHBondContact O-N 2.89Å
518	Y	98.8	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-33.8	177.9	-175.8	-87	0	0	0	112.5	Q424 K427 T514 E516 L520 Q521 G525 T528 P532	Q424-Y518 WeakPolarHBondContact O-CE1 3.42Å; Q424-Y518 PolarHBondContact O-OH 3.1Å; Q424-Y518 PolarHBondContact OE1-OH 2.89Å; K427-Y518 HydrophobicContact CB-CE1 4.45Å; K427-Y518 VanDerWaalsContact CB-OH 3.28Å; K427-Y518 WeakPolarHBondContact CB-OH 3.35Å; K427-Y518 WeakPolarHBondContact CE-OH 3.49Å; K427-Y518 PolarHBondContact NZ-OH 2.99Å; T514-Y518 VanDerWaalsContact O-CB 3.23Å; T514-Y518 WeakPolarHBondContact O-CB 3.29Å; T514-Y518 PolarHBondContact O-N 3.17Å; E516-Y518 PolarHBondContact O-N 3.46Å; Y518-L520 VanDerWaalsContact C-N 3.27Å; Y518-L520 PolarHBondContact O-N 3.49Å; Y518-Q521 WeakPolarHBondContact O-CG 3.46Å; Y518-Q521 PolarHBondContact O-N 3.35Å; Y518-Q521 PolarHBondContact O-NE2 2.76Å; Y518-G525 WeakPolarHBondContact CD2-O 3.27Å; Y518-G525 VanDerWaalsContact CE2-O 3.28Å; Y518-G525 WeakPolarHBondContact CE2-O 3.48Å; Y518-T528 HydrophobicContact CD2-CG2 3.94Å; Y518-T528 HydrophobicContact CE2-CG2 4.17Å; Y518-P532 HydrophobicContact CD1-CB 3.63Å; Y518-P532 HydrophobicContact CD1-CG 4.46Å; Y518-P532 HydrophobicContact CE1-CB 3.82Å; Y518-P532 HydrophobicContact CE1-CG 4.17Å; Y518-P532 HydrophobicContact CG-CB 4.14Å
519	Q	98.2	Very high	98.6	Very high	79 Å²	79	9 Å²	9	37%	0.369	4%	0.043	S	C	.	.	H	α-helix	trans	-63.4	-35.2	-177.9	-59	-46.8	-57.2	0	0	112.1	P515 E516 E517 Q521	P515-Q519 VanDerWaalsContact O-CG 3.3Å; P515-Q519 WeakPolarHBondContact O-CG 3.4Å; P515-Q519 PolarHBondContact O-NE2 3.1Å; E516-Q519 WeakPolarHBondContact O-CB 3.17Å; E516-Q519 PolarHBondContact O-N 3.41Å; E517-Q519 PolarHBondContact O-N 3.46Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 3.04Å
520	L	98	Very high	98.6	Very high	32 Å²	32	9 Å²	9	17%	0.168	4%	0.043	C	C	.	.	H	α-helix	trans	-71.5	-25.1	-178.4	-166.1	64.9	0	0	0	112.2	A188 A189 E192 V300 G398 E517 Y518 R522	A188-L520 HydrophobicContact CB-CD2 3.77Å; A189-L520 HydrophobicContact CB-CD2 4.05Å; E192-L520 HydrophobicContact CG-CB 4.35Å; E192-L520 HydrophobicContact CG-CD2 4.47Å; V300-L520 HydrophobicContact CG1-CD1 4.07Å; V300-L520 HydrophobicContact CG1-CD2 4.41Å; V300-L520 HydrophobicContact CG1-CG 4.42Å; G398-L520 CarbonylContact C-O 3.58Å; G398-L520 VanDerWaalsContact CA-O 3.23Å; G398-L520 WeakPolarHBondContact CA-O 3.38Å; E517-L520 PolarHBondContact O-N 2.89Å; Y518-L520 VanDerWaalsContact C-N 3.27Å; Y518-L520 PolarHBondContact O-N 3.49Å; L520-R522 HydrophobicContact CD2-CG 4.13Å; L520-R522 HydrophobicContact CG-CG 4.4Å; L520-R522 PolarHBondContact O-N 3.11Å
521	Q	98.5	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	43	179.8	-74.8	-65.9	-67.2	0	0	114.4	S381 G398 T399 T400 K427 Y518 Q519 G525 A526	S381-Q521 WeakPolarHBondContact CB-O 3.33Å; S381-Q521 PolarHBondContact OG-O 3.37Å; G398-Q521 VanDerWaalsContact CA-O 3.26Å; G398-Q521 WeakPolarHBondContact CA-O 3.43Å; G398-Q521 PolarHBondContact N-O 3.13Å; T399-Q521 PolarHBondContact N-O 2.95Å; T399-Q521 WeakPolarHBondContact O-CB 3.36Å; T400-Q521 HydrophobicContact CG2-CB 4.11Å; T400-Q521 HydrophobicContact CG2-CG 4.28Å; K427-Q521 HydrophobicContact CB-CG 4.5Å; K427-Q521 VanDerWaalsContact CG-OE1 3.26Å; Y518-Q521 WeakPolarHBondContact O-CG 3.46Å; Y518-Q521 PolarHBondContact O-N 3.35Å; Y518-Q521 PolarHBondContact O-NE2 2.76Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 3.04Å; Q521-G525 PolarHBondContact NE2-O 2.96Å; Q521-G525 VanDerWaalsContact NE2-O 3.07Å; Q521-A526 VanDerWaalsContact OE1-CA 3.27Å
522	R	98.5	Very high	98.6	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.008	5%	0.048	C	C	.	.			trans	-66.7	180	157.9	-72.7	-171.1	57.3	88.2	-3.4	111.2	R185 S186 V300 S302 Q397 L520 E524 G525 A526	R185-R522 PolarHBondContact O-NH2 3.33Å; S186-R522 VanDerWaalsContact CB-NE 3.33Å; S186-R522 PolarHBondContact OG-NE 3.24Å; S186-R522 PolarHBondContact OG-NH2 3.02Å; V300-R522 VanDerWaalsContact C-NH1 3.34Å; V300-R522 PolarHBondContact O-NH1 2.89Å; S302-R522 PolarHBondContact OG-NH1 2.92Å; S302-R522 PolarHBondContact OG-NH2 3.46Å; Q397-R522 HydrophobicContact CB-CB 4.47Å; Q397-R522 HydrophobicContact CB-CG 4.28Å; Q397-R522 VanDerWaalsContact OE1-NH2 3.13Å; L520-R522 HydrophobicContact CD2-CG 4.13Å; L520-R522 HydrophobicContact CG-CG 4.4Å; L520-R522 PolarHBondContact O-N 3.11Å; R522-E524 VanDerWaalsContact C-N 3.29Å; R522-E524 PolarHBondContact O-N 3.08Å; R522-G525 PolarHBondContact O-N 3.42Å; R522-A526 WeakPolarHBondContact O-CB 3.23Å; R522-A526 PolarHBondContact O-N 2.84Å
523	Y	98.5	Very high	98.6	Very high	31 Å²	31	10.1 Å²	10.1	12%	0.122	5%	0.051	C	C	.	.	H	α-helix	trans	-52.1	-45.4	-174.9	177.2	-98	0	0	0	113.2	S381 F382 T386 Y511 A526 S527	S381-Y523 WeakPolarHBondContact O-CD2 3.33Å; F382-Y523 AromaticContact CD2-CE2 3.91Å; F382-Y523 HydrophobicContact CD2-CE2 3.91Å; F382-Y523 VanDerWaalsContact O-CE2 3.27Å; F382-Y523 WeakPolarHBondContact O-CE2 3.34Å; T386-Y523 HydrophobicContact CG2-CD1 3.35Å; T386-Y523 HydrophobicContact CG2-CD2 4.16Å; T386-Y523 HydrophobicContact CG2-CE1 3.88Å; T386-Y523 HydrophobicContact CG2-CG 3.51Å; Y511-Y523 HydrophobicContact CD2-CE1 4.07Å; Y511-Y523 HydrophobicContact CE1-CE1 4.35Å; Y511-Y523 HydrophobicContact CE2-CD1 4.3Å; Y511-Y523 AromaticContact CE2-CE1 3.42Å; Y511-Y523 HydrophobicContact CE2-CE1 3.42Å; Y511-Y523 VanDerWaalsContact CE2-CE1 3.42Å; Y511-Y523 AromaticContact CZ-CE1 3.59Å; Y523-A526 PolarHBondContact O-N 3.04Å; Y523-S527 VanDerWaalsContact O-CB 3.26Å; Y523-S527 WeakPolarHBondContact O-CB 3.49Å; Y523-S527 PolarHBondContact O-N 2.85Å; Y523-S527 PolarHBondContact O-OG 2.82Å
524	E	98.8	Very high	98.6	Very high	3 Å²	3	10.1 Å²	10.1	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-66.4	-42.5	-179	-60.4	78.9	-170.9	0	0	111.8	R185 S186 G279 D280 T467 Y511 R522 S527 T528	R185-E524 IonicContact CZ-OE1 3.65Å; R185-E524 IonicContact NE-OE1 2.96Å; R185-E524 PolarHBondContact NE-OE1 2.8Å; R185-E524 IonicContact NH2-OE1 3.76Å; R185-E524 PolarHBondContact NH2-OE1 3Å; S186-E524 WeakPolarHBondContact CB-OE2 3.32Å; S186-E524 VanDerWaalsContact OG-CD 3.28Å; S186-E524 PolarHBondContact OG-OE1 3.03Å; S186-E524 PolarHBondContact OG-OE2 2.84Å; G279-E524 VanDerWaalsContact O-CG 3.25Å; G279-E524 WeakPolarHBondContact O-CG 3.31Å; D280-E524 HydrophobicContact CB-CG 4.48Å; T467-E524 HydrophobicContact CG2-CB 4.09Å; T467-E524 HydrophobicContact CG2-CG 4.3Å; Y511-E524 WeakPolarHBondContact CB-O 3.48Å; Y511-E524 HydrophobicContact CD1-CB 3.96Å; Y511-E524 HydrophobicContact CD1-CG 3.6Å; Y511-E524 HydrophobicContact CE1-CG 3.99Å; Y511-E524 HydrophobicContact CG-CB 4.34Å; Y511-E524 HydrophobicContact CG-CG 4.4Å; R522-E524 VanDerWaalsContact C-N 3.29Å; R522-E524 PolarHBondContact O-N 3.08Å; E524-S527 CarbonylContact O-C 3.51Å; E524-S527 PolarHBondContact O-N 2.82Å; E524-T528 PolarHBondContact O-N 3.34Å; E524-T528 PolarHBondContact O-OG1 2.88Å
525	G	98.7	Very high	98.6	Very high	3 Å²	3	10.1 Å²	10.1	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-66.3	-39.8	175.6	0	0	0	0	0	112.8	Y518 Q521 R522 S527 T528	Y518-G525 WeakPolarHBondContact CD2-O 3.27Å; Y518-G525 VanDerWaalsContact CE2-O 3.28Å; Y518-G525 WeakPolarHBondContact CE2-O 3.48Å; Q521-G525 PolarHBondContact NE2-O 2.96Å; Q521-G525 VanDerWaalsContact NE2-O 3.07Å; R522-G525 PolarHBondContact O-N 3.42Å; G525-S527 VanDerWaalsContact C-N 3.27Å; G525-S527 PolarHBondContact O-N 3.14Å; G525-T528 WeakPolarHBondContact O-CB 3.16Å; G525-T528 PolarHBondContact O-N 3.2Å
526	A	98.6	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.6	-27.5	175.2	0	0	0	0	0	112.8	G379 K427 Q521 R522 Y523	G379-A526 PolarHBondContact N-O 3.05Å; K427-A526 VanDerWaalsContact CE-O 3.32Å; K427-A526 WeakPolarHBondContact CE-O 3.46Å; Q521-A526 VanDerWaalsContact OE1-CA 3.27Å; R522-A526 WeakPolarHBondContact O-CB 3.23Å; R522-A526 PolarHBondContact O-N 2.84Å; Y523-A526 PolarHBondContact O-N 3.04Å
527	S	98.6	Very high	98.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.8	177.1	-53.7	0	0	0	0	113.4	S510 Y511 Y523 E524 G525 I529	S510-S527 VanDerWaalsContact CB-O 3.28Å; S510-S527 WeakPolarHBondContact CB-O 3.44Å; Y511-S527 PolarHBondContact N-O 2.66Å; Y511-S527 VanDerWaalsContact N-O 3.07Å; Y523-S527 VanDerWaalsContact O-CB 3.26Å; Y523-S527 WeakPolarHBondContact O-CB 3.49Å; Y523-S527 PolarHBondContact O-N 2.85Å; Y523-S527 PolarHBondContact O-OG 2.82Å; E524-S527 CarbonylContact O-C 3.51Å; E524-S527 PolarHBondContact O-N 2.82Å; G525-S527 VanDerWaalsContact C-N 3.27Å; G525-S527 PolarHBondContact O-N 3.14Å; S527-I529 WeakPolarHBondContact O-CG2 3.49Å; S527-I529 PolarHBondContact O-N 3.33Å
528	T	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-82.8	90	172.4	-62.8	0	0	0	0	109.8	K427 Y511 A513 Y518 E524 G525 Y530 G531 T534	K427-T528 PolarHBondContact NZ-O 3.17Å; Y511-T528 VanDerWaalsContact O-CA 3.25Å; Y511-T528 WeakPolarHBondContact O-CA 3.43Å; Y511-T528 PolarHBondContact O-OG1 3.46Å; A513-T528 WeakPolarHBondContact CB-OG1 3.49Å; A513-T528 PolarHBondContact N-OG1 3.33Å; Y518-T528 HydrophobicContact CD2-CG2 3.94Å; Y518-T528 HydrophobicContact CE2-CG2 4.17Å; E524-T528 PolarHBondContact O-N 3.34Å; E524-T528 PolarHBondContact O-OG1 2.88Å; G525-T528 WeakPolarHBondContact O-CB 3.16Å; G525-T528 PolarHBondContact O-N 3.2Å; T528-Y530 PolarHBondContact O-N 2.75Å; T528-G531 PolarHBondContact O-N 2.94Å; T528-T534 HydrophobicContact CG2-CG2 4.04Å; T528-T534 WeakPolarHBondContact CG2-OG1 3.33Å
529	I	98.7	Very high	98.6	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.2	-155.1	64.6	179.5	0	0	0	115.3	P376 A377 M378 Q424 Q443 S509 S527 G531	P376-I529 CarbonylContact C-O 3.58Å; P376-I529 VanDerWaalsContact CA-O 3.3Å; P376-I529 WeakPolarHBondContact CA-O 3.3Å; P376-I529 HydrophobicContact CB-CB 4.28Å; P376-I529 HydrophobicContact CB-CD1 4.24Å; P376-I529 HydrophobicContact CB-CG1 4.47Å; P376-I529 HydrophobicContact CG-CD1 4.46Å; A377-I529 PolarHBondContact N-O 3.06Å; M378-I529 HydrophobicContact SD-CG2 3.42Å; M378-I529 WeakPolarHBondContact SD-CG2 3.29Å; Q424-I529 PolarHBondContact NE2-O 3Å; Q443-I529 HydrophobicContact CB-CD1 4.45Å; S509-I529 WeakPolarHBondContact O-CD1 3.21Å; S527-I529 WeakPolarHBondContact O-CG2 3.49Å; S527-I529 PolarHBondContact O-N 3.33Å; I529-G531 VanDerWaalsContact C-N 3.29Å; I529-G531 PolarHBondContact O-N 3.29Å
530	Y	98.8	Very high	98.6	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	19.7	-177.9	-45.1	-74.6	0	0	0	113.2	M359 C374 P376 P444 V447 T528 T534	M359-Y530 HydrophobicContact CB-CD1 3.57Å; M359-Y530 HydrophobicContact CB-CD2 3.91Å; M359-Y530 HydrophobicContact CB-CE1 3.51Å; M359-Y530 HydrophobicContact CB-CE2 3.86Å; M359-Y530 HydrophobicContact CB-CG 3.76Å; M359-Y530 HydrophobicContact CE-CD2 3.74Å; M359-Y530 HydrophobicContact CE-CE2 4.22Å; M359-Y530 HydrophobicContact CE-CG 4.25Å; M359-Y530 HydrophobicContact CG-CD2 4.31Å; M359-Y530 HydrophobicContact CG-CE1 4.48Å; M359-Y530 HydrophobicContact CG-CE2 4.06Å; C374-Y530 PolarHBondContact N-O 3.49Å; P376-Y530 HydrophobicContact CG-CD1 4.12Å; P376-Y530 HydrophobicContact CG-CE1 3.76Å; P444-Y530 WeakPolarHBondContact O-CE1 3.01Å; P444-Y530 PolarHBondContact O-OH 2.77Å; V447-Y530 HydrophobicContact CG1-CE2 4.37Å; V447-Y530 WeakPolarHBondContact CG1-OH 3.36Å; T528-Y530 PolarHBondContact O-N 2.75Å; Y530-T534 WeakPolarHBondContact CA-OG1 3.26Å; Y530-T534 WeakPolarHBondContact CB-OG1 3.45Å; Y530-T534 HydrophobicContact CD2-CG2 3.88Å; Y530-T534 PolarHBondContact N-OG1 3.4Å
531	G	98.5	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.			trans	84.2	-172.3	176.4	0	0	0	0	0	114.6	T528 I529 L533 T534	T528-G531 PolarHBondContact O-N 2.94Å; I529-G531 VanDerWaalsContact C-N 3.29Å; I529-G531 PolarHBondContact O-N 3.29Å; G531-L533 PolarHBondContact O-N 3.28Å; G531-L533 VanDerWaalsContact O-N 3.16Å; G531-T534 PolarHBondContact N-OG1 2.93Å; G531-T534 WeakPolarHBondContact O-CB 3.37Å; G531-T534 PolarHBondContact O-N 3.45Å; G531-T534 VanDerWaalsContact O-N 3.14Å; G531-T534 PolarHBondContact O-OG1 2.91Å
532	P	98.2	Very high	98.6	Very high	23 Å²	23	9.8 Å²	9.8	15%	0.149	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.1	-172.4	24.4	-33.6	0	0	0	113.9	Y518	Y518-P532 HydrophobicContact CD1-CB 3.63Å; Y518-P532 HydrophobicContact CD1-CG 4.46Å; Y518-P532 HydrophobicContact CE1-CB 3.82Å; Y518-P532 HydrophobicContact CE1-CG 4.17Å; Y518-P532 HydrophobicContact CG-CB 4.14Å
533	L	98.5	Very high	98.6	Very high	12 Å²	12	10.8 Å²	10.8	6%	0.063	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	11.8	179.2	-57.5	-175.2	0	0	0	113.8	L364 Y369 T373 G531 P536 A537	L364-L533 HydrophobicContact CD2-CB 4.49Å; Y369-L533 HydrophobicContact CG-CD2 4.35Å; T373-L533 HydrophobicContact CG2-CB 4.45Å; G531-L533 PolarHBondContact O-N 3.28Å; G531-L533 VanDerWaalsContact O-N 3.16Å; L533-P536 HydrophobicContact CD2-CG 4.18Å; L533-P536 WeakPolarHBondContact O-CD 3.47Å; L533-A537 WeakPolarHBondContact O-CB 3.48Å; L533-A537 PolarHBondContact O-N 3.46Å
534	T	98.9	Very high	98.6	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-57.6	-54.7	178.1	-58.8	0	0	0	0	112.1	M359 I512 T528 Y530 G531 A537 Y538	M359-T534 HydrophobicContact CE-CG2 4.2Å; I512-T534 HydrophobicContact CG1-CG2 4.04Å; I512-T534 HydrophobicContact CG2-CG2 4.2Å; T528-T534 HydrophobicContact CG2-CG2 4.04Å; T528-T534 WeakPolarHBondContact CG2-OG1 3.33Å; Y530-T534 WeakPolarHBondContact CA-OG1 3.26Å; Y530-T534 WeakPolarHBondContact CB-OG1 3.45Å; Y530-T534 HydrophobicContact CD2-CG2 3.88Å; Y530-T534 PolarHBondContact N-OG1 3.4Å; G531-T534 PolarHBondContact N-OG1 2.93Å; G531-T534 WeakPolarHBondContact O-CB 3.37Å; G531-T534 PolarHBondContact O-N 3.45Å; G531-T534 VanDerWaalsContact O-N 3.14Å; G531-T534 PolarHBondContact O-OG1 2.91Å; T534-A537 PolarHBondContact O-N 2.86Å; T534-Y538 HydrophobicContact CG2-CD2 3.94Å; T534-Y538 HydrophobicContact CG2-CE2 3.7Å; T534-Y538 WeakPolarHBondContact O-CD2 3.33Å; T534-Y538 PolarHBondContact O-N 3.18Å; T534-Y538 VanDerWaalsContact O-N 3.15Å
535	L	98.8	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-50.7	177.4	171.1	68.6	0	0	0	111.8	F466 R473 I474 I512 A513 T514 A537 Y538 V539	F466-L535 HydrophobicContact CD1-CD1 4.21Å; F466-L535 HydrophobicContact CE1-CD1 4.14Å; R473-L535 HydrophobicContact CB-CD2 4.48Å; I474-L535 HydrophobicContact CD1-CD1 3.97Å; I474-L535 HydrophobicContact CG1-CD1 3.84Å; I512-L535 HydrophobicContact CG2-CB 3.74Å; I512-L535 HydrophobicContact CG2-CD1 4.09Å; A513-L535 WeakPolarHBondContact O-CB 3.29Å; T514-L535 HydrophobicContact CG2-CD2 3.69Å; L535-A537 PolarHBondContact O-N 3.2Å; L535-Y538 PolarHBondContact O-N 3.38Å; L535-V539 HydrophobicContact CD1-CG2 3.97Å; L535-V539 HydrophobicContact CG-CG2 4.14Å; L535-V539 WeakPolarHBondContact O-CG2 3.48Å; L535-V539 PolarHBondContact O-N 3.04Å
536	P	98.6	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-49.5	-40.2	174.1	-34.5	37.4	0	0	0	115.2	L364 Y366 P515 L533 V539 N540	L364-P536 HydrophobicContact CD1-CB 3.39Å; L364-P536 HydrophobicContact CD2-CB 4.42Å; Y366-P536 HydrophobicContact CD1-CB 3.88Å; Y366-P536 HydrophobicContact CD1-CG 3.57Å; Y366-P536 HydrophobicContact CD2-CB 4.23Å; Y366-P536 HydrophobicContact CE1-CG 4.11Å; Y366-P536 HydrophobicContact CG-CB 3.66Å; Y366-P536 HydrophobicContact CG-CG 3.92Å; P515-P536 HydrophobicContact CG-CG 3.65Å; L533-P536 HydrophobicContact CD2-CG 4.18Å; L533-P536 WeakPolarHBondContact O-CD 3.47Å; P536-V539 PolarHBondContact O-N 3.32Å; P536-N540 PolarHBondContact O-N 3.15Å
537	A	98.7	Very high	98.6	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-45	175.4	0	0	0	0	0	112.1	M359 I362 L364 T373 L533 T534 L535 N540 Q541	M359-A537 HydrophobicContact CE-CB 4.02Å; M359-A537 HydrophobicContact SD-CB 4.42Å; I362-A537 HydrophobicContact CD1-CB 4.32Å; I362-A537 HydrophobicContact CG2-CB 4.4Å; L364-A537 HydrophobicContact CD2-CB 3.69Å; T373-A537 HydrophobicContact CG2-CB 3.54Å; L533-A537 WeakPolarHBondContact O-CB 3.48Å; L533-A537 PolarHBondContact O-N 3.46Å; T534-A537 PolarHBondContact O-N 2.86Å; L535-A537 PolarHBondContact O-N 3.2Å; A537-N540 PolarHBondContact O-N 3.05Å; A537-Q541 WeakPolarHBondContact O-CB 3.49Å; A537-Q541 PolarHBondContact O-N 2.92Å
538	Y	98.8	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-38.7	174.8	-75.2	-56.1	0	0	0	112.8	M359 V447 T449 P463 F466 S509 I512 T534 L535 Q541 F542	M359-Y538 HydrophobicContact CE-CD1 4.4Å; M359-Y538 HydrophobicContact CE-CD2 4.06Å; M359-Y538 HydrophobicContact CE-CE1 4.01Å; M359-Y538 HydrophobicContact CE-CE2 3.67Å; M359-Y538 HydrophobicContact CE-CG 4.42Å; M359-Y538 HydrophobicContact SD-CE1 4.06Å; V447-Y538 HydrophobicContact CG2-CE1 4.13Å; T449-Y538 HydrophobicContact CG2-CD1 4.37Å; T449-Y538 HydrophobicContact CG2-CE1 4.18Å; P463-Y538 HydrophobicContact CG-CE1 3.65Å; F466-Y538 HydrophobicContact CE1-CD2 4.05Å; F466-Y538 HydrophobicContact CE1-CG 4.23Å; F466-Y538 HydrophobicContact CZ-CD1 4.4Å; F466-Y538 AromaticContact CZ-CD2 3.57Å; F466-Y538 HydrophobicContact CZ-CD2 3.57Å; F466-Y538 HydrophobicContact CZ-CE2 4.02Å; F466-Y538 AromaticContact CZ-CG 3.78Å; F466-Y538 HydrophobicContact CZ-CG 3.78Å; S509-Y538 PolarHBondContact OG-OH 3.13Å; I512-Y538 HydrophobicContact CD1-CE2 4.36Å; I512-Y538 HydrophobicContact CG1-CD2 3.98Å; I512-Y538 HydrophobicContact CG1-CE2 3.69Å; I512-Y538 HydrophobicContact CG2-CD2 4.24Å; T534-Y538 HydrophobicContact CG2-CD2 3.94Å; T534-Y538 HydrophobicContact CG2-CE2 3.7Å; T534-Y538 WeakPolarHBondContact O-CD2 3.33Å; T534-Y538 PolarHBondContact O-N 3.18Å; T534-Y538 VanDerWaalsContact O-N 3.15Å; L535-Y538 PolarHBondContact O-N 3.38Å; Y538-Q541 PolarHBondContact O-N 3.02Å; Y538-F542 AromaticContact CD1-CE2 3.93Å; Y538-F542 HydrophobicContact CD1-CE2 3.93Å; Y538-F542 HydrophobicContact CG-CE2 4.41Å; Y538-F542 WeakPolarHBondContact O-CB 3.46Å; Y538-F542 WeakPolarHBondContact O-CD2 3.48Å; Y538-F542 PolarHBondContact O-N 2.77Å
539	V	98.7	Very high	98.6	Very high	10 Å²	10	17 Å²	17	6%	0.061	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-51.5	174.1	170.9	0	0	0	0	110.3	Y366 I474 A477 L535 P536 Q541 S543	Y366-V539 HydrophobicContact CE2-CB 4.24Å; Y366-V539 HydrophobicContact CE2-CG1 3.86Å; Y366-V539 HydrophobicContact CE2-CG2 4.44Å; I474-V539 HydrophobicContact CD1-CB 4.18Å; I474-V539 HydrophobicContact CD1-CG2 3.54Å; I474-V539 HydrophobicContact CG1-CG2 4.27Å; A477-V539 HydrophobicContact CB-CG1 3.53Å; L535-V539 HydrophobicContact CD1-CG2 3.97Å; L535-V539 HydrophobicContact CG-CG2 4.14Å; L535-V539 WeakPolarHBondContact O-CG2 3.48Å; L535-V539 PolarHBondContact O-N 3.04Å; P536-V539 PolarHBondContact O-N 3.32Å; V539-Q541 PolarHBondContact O-N 2.9Å; V539-S543 WeakPolarHBondContact O-CB 3.32Å; V539-S543 PolarHBondContact O-N 3.09Å; V539-S543 PolarHBondContact O-OG 2.91Å; V539-S543 VanDerWaalsContact O-OG 3.11Å
540	N	98.2	Very high	98.5	Very high	95 Å²	95	17.9 Å²	17.9	51%	0.508	9%	0.09	S	C	.	.	H	α-helix	trans	-60.1	-46.3	178.7	-169.1	-77.4	0	0	0	111.7	P536 A537 S543 F544	P536-N540 PolarHBondContact O-N 3.15Å; A537-N540 PolarHBondContact O-N 3.05Å; N540-S543 PolarHBondContact O-N 3.27Å; N540-F544 WeakPolarHBondContact O-CB 3.37Å; N540-F544 PolarHBondContact O-N 3.46Å
541	Q	98.4	Very high	98.4	Very high	21 Å²	21	21 Å²	21	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-50.2	-178.8	179.4	63.6	15.2	0	0	112.4	I357 T449 A537 Y538 V539 F544 L545	I357-Q541 HydrophobicContact CD1-CB 4.34Å; I357-Q541 HydrophobicContact CD1-CG 3.9Å; T449-Q541 HydrophobicContact CG2-CG 4.01Å; T449-Q541 PolarHBondContact OG1-NE2 3.38Å; A537-Q541 WeakPolarHBondContact O-CB 3.49Å; A537-Q541 PolarHBondContact O-N 2.92Å; Y538-Q541 PolarHBondContact O-N 3.02Å; V539-Q541 PolarHBondContact O-N 2.9Å; Q541-F544 WeakPolarHBondContact O-CB 2.87Å; Q541-F544 PolarHBondContact O-N 3.43Å; Q541-L545 HydrophobicContact CG-CD1 4.48Å; Q541-L545 WeakPolarHBondContact O-CG 3.01Å; Q541-L545 PolarHBondContact O-N 3.29Å
542	F	98.8	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.2	-32.9	-178.4	-74	-62.8	0	0	0	112.2	T449 I451 V460 A461 L462 I474 V478 Y538 L545 A546	T449-F542 HydrophobicContact CG2-CE1 4.41Å; T449-F542 HydrophobicContact CG2-CZ 4.11Å; I451-F542 HydrophobicContact CD1-CD1 4.19Å; I451-F542 HydrophobicContact CG1-CD1 4.03Å; V460-F542 HydrophobicContact CG1-CD1 3.46Å; V460-F542 VanDerWaalsContact CG1-CD1 3.46Å; V460-F542 HydrophobicContact CG1-CD2 4.12Å; V460-F542 HydrophobicContact CG1-CE1 3.49Å; V460-F542 VanDerWaalsContact CG1-CE1 3.49Å; V460-F542 HydrophobicContact CG1-CE2 4.16Å; V460-F542 HydrophobicContact CG1-CG 3.79Å; V460-F542 HydrophobicContact CG1-CZ 3.86Å; A461-F542 WeakPolarHBondContact O-CZ 3.38Å; L462-F542 HydrophobicContact CD2-CE2 3.97Å; L462-F542 HydrophobicContact CD2-CZ 4.31Å; I474-F542 HydrophobicContact CD1-CD2 4.11Å; I474-F542 HydrophobicContact CG2-CD2 4.35Å; V478-F542 HydrophobicContact CG2-CB 3.66Å; Y538-F542 AromaticContact CD1-CE2 3.93Å; Y538-F542 HydrophobicContact CD1-CE2 3.93Å; Y538-F542 HydrophobicContact CG-CE2 4.41Å; Y538-F542 WeakPolarHBondContact O-CB 3.46Å; Y538-F542 WeakPolarHBondContact O-CD2 3.48Å; Y538-F542 PolarHBondContact O-N 2.77Å; F542-L545 HydrophobicContact CD1-CD1 4.15Å; F542-L545 HydrophobicContact CE1-CD1 4.46Å; F542-L545 PolarHBondContact O-N 2.92Å; F542-A546 VanDerWaalsContact O-CB 3.28Å; F542-A546 WeakPolarHBondContact O-CB 3.49Å; F542-A546 PolarHBondContact O-N 3.21Å
543	S	98.6	Very high	98.2	Very high	22 Å²	22	27.8 Å²	27.8	15%	0.154	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-42	168.9	-68.8	0	0	0	0	111.8	A477 V539 N540 A546 R547	A477-S543 WeakPolarHBondContact CB-OG 3.45Å; A477-S543 PolarHBondContact O-OG 3.3Å; V539-S543 WeakPolarHBondContact O-CB 3.32Å; V539-S543 PolarHBondContact O-N 3.09Å; V539-S543 PolarHBondContact O-OG 2.91Å; V539-S543 VanDerWaalsContact O-OG 3.11Å; N540-S543 PolarHBondContact O-N 3.27Å; S543-A546 PolarHBondContact O-N 2.76Å; S543-R547 WeakPolarHBondContact O-CG 3.35Å; S543-R547 PolarHBondContact O-N 3.21Å
544	F	98.3	Very high	98	Very high	78 Å²	78	37.5 Å²	37.5	34%	0.342	19%	0.193	S	C	.	.	H	α-helix	trans	-59.8	-50.3	174.1	163.8	-105.4	0	0	0	111.6	N540 Q541 A546 R547 A548 I555	N540-F544 WeakPolarHBondContact O-CB 3.37Å; N540-F544 PolarHBondContact O-N 3.46Å; Q541-F544 WeakPolarHBondContact O-CB 2.87Å; Q541-F544 PolarHBondContact O-N 3.43Å; F544-A546 VanDerWaalsContact C-N 3.33Å; F544-A546 PolarHBondContact O-N 3.18Å; F544-R547 PolarHBondContact O-N 2.8Å; F544-A548 WeakPolarHBondContact O-CB 3.25Å; F544-A548 PolarHBondContact O-N 3.36Å; F544-I555 HydrophobicContact CE1-CD1 4.23Å; F544-I555 HydrophobicContact CE1-CG2 4.16Å; F544-I555 HydrophobicContact CZ-CB 4.4Å; F544-I555 HydrophobicContact CZ-CG2 3.7Å
545	L	98.8	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-44.2	177.4	-69.8	-174.4	0	0	0	111.6	I353 Q355 I451 Q541 F542 R547 A548 L549 I555	I353-L545 HydrophobicContact CD1-CD2 4.22Å; I353-L545 HydrophobicContact CG1-CD2 4.11Å; I353-L545 HydrophobicContact CG2-CB 3.86Å; I353-L545 HydrophobicContact CG2-CD2 4.33Å; Q355-L545 HydrophobicContact CB-CD2 4.16Å; I451-L545 HydrophobicContact CD1-CB 3.81Å; I451-L545 HydrophobicContact CG1-CB 4.32Å; Q541-L545 HydrophobicContact CG-CD1 4.48Å; Q541-L545 WeakPolarHBondContact O-CG 3.01Å; Q541-L545 PolarHBondContact O-N 3.29Å; F542-L545 HydrophobicContact CD1-CD1 4.15Å; F542-L545 HydrophobicContact CE1-CD1 4.46Å; F542-L545 PolarHBondContact O-N 2.92Å; L545-R547 PolarHBondContact O-N 2.78Å; L545-A548 PolarHBondContact O-N 3.46Å; L545-L549 VanDerWaalsContact O-CB 3.28Å; L545-L549 WeakPolarHBondContact O-CB 3.47Å; L545-L549 PolarHBondContact O-N 2.96Å; L545-I555 HydrophobicContact CD2-CD1 3.34Å
546	A	98.8	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-43.9	179.4	0	0	0	0	0	112.3	I451 L458 V478 A481 A482 F542 S543 F544 L549 V550	I451-A546 HydrophobicContact CD1-CB 4.07Å; L458-A546 HydrophobicContact CD1-CB 4.49Å; V478-A546 HydrophobicContact CG1-CB 3.88Å; A481-A546 HydrophobicContact CB-CB 4.38Å; A482-A546 HydrophobicContact CB-CB 4.43Å; F542-A546 VanDerWaalsContact O-CB 3.28Å; F542-A546 WeakPolarHBondContact O-CB 3.49Å; F542-A546 PolarHBondContact O-N 3.21Å; S543-A546 PolarHBondContact O-N 2.76Å; F544-A546 VanDerWaalsContact C-N 3.33Å; F544-A546 PolarHBondContact O-N 3.18Å; A546-L549 PolarHBondContact O-N 3.1Å; A546-V550 WeakPolarHBondContact O-CG2 3.44Å; A546-V550 PolarHBondContact O-N 3.36Å
547	R	98.5	Very high	97.5	Very high	72 Å²	72	46.8 Å²	46.8	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-49.3	175.2	-69.2	179.7	74.1	95.1	-1.4	111.3	A481 A485 E488 S543 F544 L545 L549 V550 K551	A481-R547 HydrophobicContact CB-CG 3.89Å; A481-R547 WeakPolarHBondContact O-CG 3.41Å; A485-R547 HydrophobicContact CB-CB 4.17Å; A485-R547 HydrophobicContact CB-CG 4.14Å; E488-R547 IonicContact OE1-CZ 2.91Å; E488-R547 IonicContact OE1-NH1 2.64Å; E488-R547 IonicContact OE1-NH2 3.65Å; E488-R547 PolarHBondContact OE1-NH2 3.46Å; E488-R547 IonicContact OE2-NH2 3.47Å; E488-R547 PolarHBondContact OE2-NH2 3.47Å; S543-R547 WeakPolarHBondContact O-CG 3.35Å; S543-R547 PolarHBondContact O-N 3.21Å; F544-R547 PolarHBondContact O-N 2.8Å; L545-R547 PolarHBondContact O-N 2.78Å; R547-L549 VanDerWaalsContact C-N 3.32Å; R547-L549 PolarHBondContact O-N 3.36Å; R547-V550 PolarHBondContact O-N 3.03Å; R547-K551 WeakPolarHBondContact O-CB 3.33Å; R547-K551 VanDerWaalsContact O-CG 3.31Å; R547-K551 WeakPolarHBondContact O-CG 3.41Å; R547-K551 PolarHBondContact O-N 3.03Å
548	A	98.5	Very high	97.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-40.8	-179.2	0	0	0	0	0	111.7	I353 F544 L545 K551 G552 E553 I555	I353-A548 HydrophobicContact CD1-CB 3.45Å; I353-A548 VanDerWaalsContact CD1-CB 3.45Å; F544-A548 WeakPolarHBondContact O-CB 3.25Å; F544-A548 PolarHBondContact O-N 3.36Å; L545-A548 PolarHBondContact O-N 3.46Å; A548-K551 PolarHBondContact O-N 2.93Å; A548-G552 PolarHBondContact O-N 3.21Å; A548-E553 HydrophobicContact CB-CB 4.12Å; A548-E553 PolarHBondContact O-N 2.93Å; A548-I555 HydrophobicContact CB-CG2 3.82Å
549	L	98.2	Very high	96.9	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-51.6	174.9	-177.2	73.6	0	0	0	111.4	N351 F352 I353 I451 L458 L545 A546 R547 K551 G552	N351-L549 HydrophobicContact CB-CD1 3.79Å; F352-L549 VanDerWaalsContact C-CD1 3.48Å; I353-L549 HydrophobicContact CB-CB 4.22Å; I353-L549 HydrophobicContact CB-CD1 3.89Å; I353-L549 HydrophobicContact CD1-CB 4.39Å; I353-L549 HydrophobicContact CG2-CB 3.89Å; I353-L549 HydrophobicContact CG2-CD1 4.09Å; I353-L549 HydrophobicContact CG2-CD2 4.49Å; I353-L549 HydrophobicContact CG2-CG 4.39Å; I451-L549 HydrophobicContact CG2-CD2 3.99Å; L458-L549 HydrophobicContact CD2-CD2 3.81Å; L545-L549 VanDerWaalsContact O-CB 3.28Å; L545-L549 WeakPolarHBondContact O-CB 3.47Å; L545-L549 PolarHBondContact O-N 2.96Å; A546-L549 PolarHBondContact O-N 3.1Å; R547-L549 VanDerWaalsContact C-N 3.32Å; R547-L549 PolarHBondContact O-N 3.36Å; L549-K551 VanDerWaalsContact C-N 3.3Å; L549-K551 PolarHBondContact O-N 3.23Å; L549-G552 PolarHBondContact O-N 3Å; L549-G552 VanDerWaalsContact O-N 3.12Å
550	V	97.7	Very high	96.4	Very high	21 Å²	21	57.4 Å²	57.4	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-34.1	-179	172.5	0	0	0	0	111.9	A482 A485 N489 Y497 A546 R547 G552	A482-V550 HydrophobicContact CB-CG2 3.98Å; A485-V550 HydrophobicContact CB-CB 3.87Å; A485-V550 HydrophobicContact CB-CG1 3.77Å; N489-V550 PolarHBondContact ND2-O 3.36Å; Y497-V550 HydrophobicContact CD1-CG2 4.4Å; Y497-V550 HydrophobicContact CE1-CG2 3.67Å; Y497-V550 HydrophobicContact CE2-CG1 4.49Å; Y497-V550 HydrophobicContact CE2-CG2 4.28Å; A546-V550 WeakPolarHBondContact O-CG2 3.44Å; A546-V550 PolarHBondContact O-N 3.36Å; R547-V550 PolarHBondContact O-N 3.03Å; V550-G552 VanDerWaalsContact C-N 3.28Å; V550-G552 PolarHBondContact O-N 3.18Å
551	K	96.8	Very high	96.2	Very high	67 Å²	67	53.4 Å²	53.4	29%	0.291	30%	0.304	S	S	.	.	H	α-helix	trans	-77.1	-8.5	175.1	-68.5	-171.5	174.5	-165.9	0	114.5	A485 E488 R547 A548 L549 E553	A485-K551 HydrophobicContact CB-CG 4.14Å; E488-K551 WeakPolarHBondContact OE2-CE 3.42Å; E488-K551 IonicContact OE2-NZ 2.68Å; E488-K551 PolarHBondContact OE2-NZ 3.33Å; R547-K551 WeakPolarHBondContact O-CB 3.33Å; R547-K551 VanDerWaalsContact O-CG 3.31Å; R547-K551 WeakPolarHBondContact O-CG 3.41Å; R547-K551 PolarHBondContact O-N 3.03Å; A548-K551 PolarHBondContact O-N 2.93Å; L549-K551 VanDerWaalsContact C-N 3.3Å; L549-K551 PolarHBondContact O-N 3.23Å; K551-E553 HydrophobicContact CB-CG 3.74Å; K551-E553 WeakPolarHBondContact CD-OE1 3.18Å; K551-E553 PolarHBondContact O-N 3.34Å
552	G	95.3	Very high	96	Very high	67 Å²	67	54.2 Å²	54.2	69%	0.691	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	27.2	-173.4	0	0	0	0	0	112.8	A548 L549 V550	A548-G552 PolarHBondContact O-N 3.21Å; L549-G552 PolarHBondContact O-N 3Å; L549-G552 VanDerWaalsContact O-N 3.12Å; V550-G552 VanDerWaalsContact C-N 3.28Å; V550-G552 PolarHBondContact O-N 3.18Å
553	E	96.2	Very high	95.8	Very high	98 Å²	98	57.8 Å²	57.8	46%	0.458	33%	0.325	S	S	.	.			trans	-77.8	138.2	-179.9	-71.9	174.8	-172.8	0	0	110.8	A548 K551	A548-E553 HydrophobicContact CB-CB 4.12Å; A548-E553 PolarHBondContact O-N 2.93Å; K551-E553 HydrophobicContact CB-CG 3.74Å; K551-E553 WeakPolarHBondContact CD-OE1 3.18Å; K551-E553 PolarHBondContact O-N 3.34Å
554	K	94.7	Very high	95.6	Very high	215 Å²	215	58.2 Å²	58.2	94%	0.935	32%	0.324	S	S	*	.			trans	-86.3	125.6	170	-68.5	-173.9	179.4	-178.2	0	109.4
555	I	96.4	Very high	95.2	Very high	41 Å²	41	58.8 Å²	58.8	21%	0.21	33%	0.327	C	S	.	.			trans	-107.3	158.5	177.4	65.7	169	0	0	0	111.5	I353 Q355 F544 L545 A548	I353-I555 HydrophobicContact CD1-CD1 3.73Å; I353-I555 HydrophobicContact CD1-CG1 4.06Å; I353-I555 HydrophobicContact CD1-CG2 4.16Å; I353-I555 HydrophobicContact CG1-CD1 3.57Å; I353-I555 HydrophobicContact CG1-CG1 3.97Å; Q355-I555 HydrophobicContact CB-CD1 3.96Å; F544-I555 HydrophobicContact CE1-CD1 4.23Å; F544-I555 HydrophobicContact CE1-CG2 4.16Å; F544-I555 HydrophobicContact CZ-CB 4.4Å; F544-I555 HydrophobicContact CZ-CG2 3.7Å; L545-I555 HydrophobicContact CD2-CD1 3.34Å; A548-I555 HydrophobicContact CB-CG2 3.82Å
556	S	95.5	Very high	94.8	Very high	78 Å²	78	65.9 Å²	65.9	55%	0.545	37%	0.365	S	S	.	.			trans	-64.3	138.3	171.4	177.4	0	0	0	0	110.1	Q355 G558	Q355-S556 PolarHBondContact NE2-O 3.49Å; S556-G558 PolarHBondContact O-N 2.9Å; S556-G558 PolarHBondContact OG-N 3.3Å
557	P	93.6	Very high	94.4	Very high	78 Å²	78	70.4 Å²	70.4	51%	0.506	39%	0.386	S	S	.	.			trans	-57.7	-19.5	173.7	-23.7	33.6	0	0	0	114.1	F356	F356-P557 PolarHBondContact N-O 2.81Å
558	G	94.6	Very high	94.1	Very high	33 Å²	33	68.5 Å²	68.5	34%	0.34	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	81.6	-158.1	-176.9	0	0	0	0	0	113	F356 S556	F356-G558 WeakPolarHBondContact O-CA 2.99Å; S556-G558 PolarHBondContact O-N 2.9Å; S556-G558 PolarHBondContact OG-N 3.3Å
559	T	90.8	Very high	93.8	Very high	73 Å²	73	70.9 Å²	70.9	45%	0.448	39%	0.39	S	S	.	.	S	Bend	trans	-75.9	132.9	-175.9	-55.1	0	0	0	0	110.7	F356 I446 A561	F356-T559 WeakPolarHBondContact CB-O 2.96Å; F356-T559 WeakPolarHBondContact CG-O 3.26Å; F356-T559 PolarHBondContact O-N 3.44Å; I446-T559 HydrophobicContact CD1-CG2 3.77Å; I446-T559 HydrophobicContact CG1-CG2 4.17Å; T559-A561 PolarHBondContact O-N 3.47Å
560	V	88.7	Confident	93.6	Very high	128 Å²	128	73 Å²	73	78%	0.776	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-60.5	128.4	178.6	-179.3	0	0	0	0	110.3
561	A	92	Very high	93.3	Very high	12 Å²	12	79 Å²	79	10%	0.099	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-63.4	135.6	174.7	0	0	0	0	0	111.3	Q92 I96 F356 T559	Q92-A561 HydrophobicContact CG-CB 4.29Å; I96-A561 HydrophobicContact CD1-CB 4.19Å; F356-A561 HydrophobicContact CD1-CB 3.97Å; F356-A561 HydrophobicContact CE1-CB 3.64Å; F356-A561 HydrophobicContact CE2-CB 4.4Å; F356-A561 HydrophobicContact CG-CB 4.49Å; F356-A561 HydrophobicContact CZ-CB 3.88Å; T559-A561 PolarHBondContact O-N 3.47Å
562	P	94.9	Very high	93	Very high	37 Å²	37	76.7 Å²	76.7	24%	0.24	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-74.2	152.4	178	31.9	-35.5	0	0	0	112	Q132 F564	Q132-P562 PolarHBondContact NE2-O 3.11Å; P562-F564 HydrophobicContact CB-CE1 3.86Å; P562-F564 HydrophobicContact CB-CE2 3.84Å; P562-F564 HydrophobicContact CB-CZ 3.38Å; P562-F564 HydrophobicContact CG-CE2 3.9Å; P562-F564 HydrophobicContact CG-CZ 3.78Å
563	Y	95.3	Very high	92.7	Very high	76 Å²	76	78 Å²	78	30%	0.298	42%	0.419	S	S	.	.			trans	-135.3	110.8	176.3	-176.4	-122	0	0	0	110.3	A93 I96 F565	A93-Y563 HydrophobicContact CB-CD2 4.01Å; A93-Y563 HydrophobicContact CB-CE2 3.76Å; I96-Y563 HydrophobicContact CB-CD2 4.35Å; I96-Y563 HydrophobicContact CD1-CD2 4.27Å; I96-Y563 HydrophobicContact CG2-CD2 4.07Å; I96-Y563 HydrophobicContact CG2-CE2 4.44Å; I96-Y563 HydrophobicContact CG2-CG 4.18Å; Y563-F565 HydrophobicContact CD1-CB 4Å; Y563-F565 HydrophobicContact CE1-CB 3.37Å; Y563-F565 HydrophobicContact CE1-CG 4.13Å; Y563-F565 HydrophobicContact CE2-CB 4.13Å; Y563-F565 VanDerWaalsContact CZ-CB 3.45Å; Y563-F565 WeakPolarHBondContact OH-CD2 3.43Å
564	F	93.6	Very high	92.4	Very high	30 Å²	30	81.5 Å²	81.5	13%	0.132	43%	0.433	C	S	.	.			trans	-103.3	35.8	-169.1	-55.5	-60.9	0	0	0	113.7	Q132 Y133 Y440 P441 P562 N566 E567 Q568	Q132-F564 HydrophobicContact CG-CD2 4.18Å; Y133-F564 HydrophobicContact CD1-CE2 4.2Å; Y133-F564 HydrophobicContact CE1-CD2 4.45Å; Y133-F564 AromaticContact CE1-CE2 3.7Å; Y133-F564 HydrophobicContact CE1-CE2 3.7Å; Y440-F564 HydrophobicContact CD2-CD2 4.4Å; P441-F564 HydrophobicContact CB-CZ 4.49Å; P441-F564 HydrophobicContact CG-CE1 4.45Å; P441-F564 HydrophobicContact CG-CE2 4.23Å; P441-F564 HydrophobicContact CG-CZ 3.73Å; P562-F564 HydrophobicContact CB-CE1 3.86Å; P562-F564 HydrophobicContact CB-CE2 3.84Å; P562-F564 HydrophobicContact CB-CZ 3.38Å; P562-F564 HydrophobicContact CG-CE2 3.9Å; P562-F564 HydrophobicContact CG-CZ 3.78Å; F564-N566 PolarHBondContact O-N 3.07Å; F564-E567 WeakPolarHBondContact CA-OE2 3.45Å; F564-E567 HydrophobicContact CB-CB 4.4Å; F564-E567 PolarHBondContact O-N 2.87Å; F564-E567 VanDerWaalsContact O-OE2 3.13Å; F564-Q568 VanDerWaalsContact O-CG 3.29Å; F564-Q568 WeakPolarHBondContact O-CG 3.41Å; F564-Q568 PolarHBondContact O-N 2.92Å; F564-Q568 PolarHBondContact O-NE2 2.71Å
565	F	90.6	Very high	92.1	Very high	91 Å²	91	72 Å²	72	40%	0.399	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-62.5	-38.8	-172.5	-179.9	-99.1	0	0	0	113.7	Y143 Y563 E567	Y143-F565 HydrophobicContact CE1-CE2 4.4Å; Y563-F565 HydrophobicContact CD1-CB 4Å; Y563-F565 HydrophobicContact CE1-CB 3.37Å; Y563-F565 HydrophobicContact CE1-CG 4.13Å; Y563-F565 HydrophobicContact CE2-CB 4.13Å; Y563-F565 VanDerWaalsContact CZ-CB 3.45Å; Y563-F565 WeakPolarHBondContact OH-CD2 3.43Å; F565-E567 VanDerWaalsContact C-N 3.26Å; F565-E567 PolarHBondContact N-OE2 2.84Å; F565-E567 PolarHBondContact O-N 3.09Å
566	N	90	Very high	91.8	Very high	149 Å²	149	76 Å²	76	80%	0.797	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-77.4	-17	-177.1	-66.6	-36.2	0	0	0	112.5	F564	F564-N566 PolarHBondContact O-N 3.07Å
567	E	91.3	Very high	91.7	Very high	94 Å²	94	75.1 Å²	75.1	44%	0.439	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-93.6	-13.3	-178.2	-58.9	82.3	172	0	0	112.4	Y440 F564 F565 F569	Y440-E567 HydrophobicContact CD1-CB 3.7Å; Y440-E567 HydrophobicContact CE1-CB 4.22Å; Y440-E567 VanDerWaalsContact CE1-O 3.26Å; Y440-E567 WeakPolarHBondContact CE1-O 3.31Å; Y440-E567 HydrophobicContact CG-CB 4.44Å; F564-E567 WeakPolarHBondContact CA-OE2 3.45Å; F564-E567 HydrophobicContact CB-CB 4.4Å; F564-E567 PolarHBondContact O-N 2.87Å; F564-E567 VanDerWaalsContact O-OE2 3.13Å; F565-E567 VanDerWaalsContact C-N 3.26Å; F565-E567 PolarHBondContact N-OE2 2.84Å; F565-E567 PolarHBondContact O-N 3.09Å; E567-F569 PolarHBondContact O-N 2.02Å
568	Q	92.2	Very high	91.8	Very high	33 Å²	33	71.8 Å²	71.8	15%	0.154	38%	0.377	C	S	.	.			trans	-59.5	133.6	-178.1	-65.3	-53.3	-72.1	0	0	111.8	Q132 Y143 Y440 F564	Q132-Q568 PolarHBondContact O-NE2 3.11Å; Y143-Q568 HydrophobicContact CD1-CB 4.29Å; Y143-Q568 HydrophobicContact CD2-CG 4.35Å; Y143-Q568 HydrophobicContact CG-CB 4.02Å; Y143-Q568 HydrophobicContact CG-CG 4.21Å; Y440-Q568 PolarHBondContact OH-OE1 3.13Å; F564-Q568 VanDerWaalsContact O-CG 3.29Å; F564-Q568 WeakPolarHBondContact O-CG 3.41Å; F564-Q568 PolarHBondContact O-N 2.92Å; F564-Q568 PolarHBondContact O-NE2 2.71Å
569	F	91.8	Very high	91.8	Very high	50 Å²	50	72.5 Å²	72.5	22%	0.219	38%	0.375	C	S	.	.			trans	-104.8	157.4	172.5	62.3	-94.8	0	0	0	111.2	V134 G142 Y143 P439 Y440 E567 F571	V134-F569 HydrophobicContact CG1-CE1 4.38Å; V134-F569 HydrophobicContact CG1-CZ 4.44Å; G142-F569 CarbonylContact C-O 3.59Å; G142-F569 VanDerWaalsContact CA-O 3.26Å; G142-F569 WeakPolarHBondContact CA-O 3.47Å; Y143-F569 PolarHBondContact N-O 2.84Å; P439-F569 HydrophobicContact CG-CD1 4.14Å; P439-F569 HydrophobicContact CG-CE1 4.05Å; Y440-F569 AromaticContact CE1-CD1 3.99Å; Y440-F569 HydrophobicContact CE1-CD1 3.99Å; Y440-F569 HydrophobicContact CE1-CE1 4.15Å; Y440-F569 AromaticContact CZ-CE1 3.95Å; Y440-F569 VanDerWaalsContact OH-CE1 3.3Å; Y440-F569 WeakPolarHBondContact OH-CE1 3.42Å; E567-F569 PolarHBondContact O-N 2.02Å; F569-F571 HydrophobicContact CB-CE2 4.47Å; F569-F571 AromaticContact CD2-CD2 3.59Å; F569-F571 HydrophobicContact CD2-CD2 3.59Å; F569-F571 AromaticContact CD2-CE2 3.23Å; F569-F571 HydrophobicContact CD2-CE2 3.23Å; F569-F571 HydrophobicContact CD2-CZ 4.11Å; F569-F571 AromaticContact CE2-CD2 3.91Å; F569-F571 HydrophobicContact CE2-CD2 3.91Å; F569-F571 AromaticContact CE2-CE2 3.64Å; F569-F571 HydrophobicContact CE2-CE2 3.64Å; F569-F571 HydrophobicContact CG-CE2 4.04Å
570	S	93	Very high	92	Very high	62 Å²	62	70.3 Å²	70.3	43%	0.434	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-144.4	125.3	172.2	-169.8	0	0	0	0	110.4	Y143	Y143-S570 WeakPolarHBondContact O-CB 3.38Å; Y143-S570 PolarHBondContact O-OG 2.02Å
571	F	92.6	Very high	92.1	Very high	148 Å²	148	65.1 Å²	65.1	65%	0.649	33%	0.333	S	S	*	.			trans	-109.7	4.9	174.5	-57.5	-68.3	0	0	0	112.2	L141 F569 P573	L141-F571 HydrophobicContact CB-CB 4.23Å; L141-F571 PolarHBondContact O-N 2.93Å; F569-F571 HydrophobicContact CB-CE2 4.47Å; F569-F571 AromaticContact CD2-CD2 3.59Å; F569-F571 HydrophobicContact CD2-CD2 3.59Å; F569-F571 AromaticContact CD2-CE2 3.23Å; F569-F571 HydrophobicContact CD2-CE2 3.23Å; F569-F571 HydrophobicContact CD2-CZ 4.11Å; F569-F571 AromaticContact CE2-CD2 3.91Å; F569-F571 HydrophobicContact CE2-CD2 3.91Å; F569-F571 AromaticContact CE2-CE2 3.64Å; F569-F571 HydrophobicContact CE2-CE2 3.64Å; F569-F571 HydrophobicContact CG-CE2 4.04Å; F571-P573 WeakPolarHBondContact O-CD 3.24Å
572	V	90.6	Very high	92	Very high	17 Å²	17	71.8 Å²	71.8	10%	0.103	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.4	124.3	174.8	174.7	0	0	0	0	109.7	I45 S140 L141 V144 K574	I45-V572 HydrophobicContact CD1-CB 4.46Å; I45-V572 HydrophobicContact CD1-CG1 3.44Å; I45-V572 VanDerWaalsContact CD1-CG1 3.44Å; I45-V572 HydrophobicContact CD1-CG2 4.24Å; S140-V572 VanDerWaalsContact O-CG2 3.31Å; S140-V572 WeakPolarHBondContact O-CG2 3.43Å; L141-V572 HydrophobicContact CB-CG2 3.98Å; V144-V572 HydrophobicContact CG2-CG2 3.87Å; V572-K574 PolarHBondContact O-N 2.6Å
573	P	89.2	Confident	91.9	Very high	95 Å²	95	81.1 Å²	81.1	62%	0.617	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-57.8	136.9	176.5	-25.4	35	0	0	0	111.9	F571 R614	F571-P573 WeakPolarHBondContact O-CD 3.24Å; P573-R614 PolarHBondContact O-NH1 2.97Å
574	K	88.5	Confident	91.8	Very high	172 Å²	172	80.9 Å²	80.9	75%	0.748	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-80.1	147.1	174.8	-65.9	-177	179.9	179.1	0	110.7	V572 L576	V572-K574 PolarHBondContact O-N 2.6Å; K574-L576 PolarHBondContact O-N 3.47Å
575	I	89.1	Confident	92	Very high	15 Å²	15	83.5 Å²	83.5	8%	0.077	42%	0.419	C	S	.	.			trans	-70.4	111.8	165.9	-53.9	-55.6	0	0	0	108.6	S612 R614 K693	I575-S612 WeakPolarHBondContact CD1-OG 3.35Å; I575-R614 HydrophobicContact CG1-CB 3.89Å; I575-K693 PolarHBondContact O-NZ 3.15Å
576	L	89.2	Confident	92.3	Very high	124 Å²	124	81.3 Å²	81.3	65%	0.649	41%	0.409	S	S	*	.			trans	-77.1	-56.2	-178.9	-61.8	-179.7	0	0	0	110.7	K574 K693	K574-L576 PolarHBondContact O-N 3.47Å; L576-K693 WeakPolarHBondContact O-CE 3.46Å
577	F	93.7	Very high	92.7	Very high	60 Å²	60	74.7 Å²	74.7	26%	0.263	38%	0.376	S	S	.	.			trans	-159.9	164.6	179.5	61.8	-89.9	0	0	0	110.4	T579 K693 I695	F577-T579 HydrophobicContact CD2-CG2 3.78Å; F577-T579 HydrophobicContact CE2-CG2 3.87Å; F577-K693 CarbonylContact C-O 3.56Å; F577-K693 VanDerWaalsContact CA-O 3.26Å; F577-K693 WeakPolarHBondContact CA-O 3.39Å; F577-I695 HydrophobicContact CB-CB 4.46Å; F577-I695 HydrophobicContact CD1-CG1 4.48Å
578	D	96.4	Very high	93.1	Very high	8 Å²	8	72.3 Å²	72.3	4%	0.043	37%	0.368	C	S	.	.			trans	-120.4	146.1	170.1	-48.5	-88.7	0	0	0	109.4	F586 A611 S612 N615 G662 K693	D578-F586 HydrophobicContact CB-CE1 4.18Å; D578-F586 HydrophobicContact CB-CZ 3.79Å; D578-A611 HydrophobicContact CB-CB 3.77Å; D578-A611 VanDerWaalsContact CG-CB 3.49Å; D578-S612 PolarHBondContact OD1-N 2.7Å; D578-N615 PolarHBondContact OD2-ND2 2.83Å; D578-G662 CarbonylContact C-O 3.54Å; D578-G662 VanDerWaalsContact CA-O 3.3Å; D578-G662 WeakPolarHBondContact CA-O 3.25Å; D578-K693 PolarHBondContact N-O 3Å; D578-K693 PolarHBondContact OD2-N 2.85Å
579	T	95.3	Very high	93.4	Very high	48 Å²	48	71.9 Å²	71.9	29%	0.294	37%	0.367	S	S	.	.			trans	-130.4	149.9	169.9	75.2	0	0	0	0	111.2	F577 L661 G662 R663	F577-T579 HydrophobicContact CD2-CG2 3.78Å; F577-T579 HydrophobicContact CE2-CG2 3.87Å; T579-L661 WeakPolarHBondContact CB-O 3.35Å; T579-L661 VanDerWaalsContact CG2-O 3.31Å; T579-L661 WeakPolarHBondContact CG2-O 3.41Å; T579-L661 PolarHBondContact OG1-O 3.45Å; T579-G662 PolarHBondContact N-O 2.83Å; T579-R663 WeakPolarHBondContact OG1-CG 3.48Å
580	A	93.7	Very high	93.6	Very high	28 Å²	28	73.1 Å²	73.1	23%	0.231	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-100.1	150.7	172.8	0	0	0	0	0	109.7	E584 F586 V609	A580-E584 WeakPolarHBondContact CB-O 3.37Å; A580-F586 HydrophobicContact CB-CD1 4.07Å; A580-F586 HydrophobicContact CB-CD2 4.24Å; A580-F586 HydrophobicContact CB-CE1 4.01Å; A580-F586 HydrophobicContact CB-CE2 4.18Å; A580-F586 HydrophobicContact CB-CG 4.18Å; A580-F586 HydrophobicContact CB-CZ 4.07Å; A580-V609 HydrophobicContact CB-CG1 3.96Å
581	P	91.6	Very high	93.8	Very high	18 Å²	18	74.4 Å²	74.4	12%	0.117	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58.7	157.7	171.7	-19.7	31.9	0	0	0	112.3	R583 E584 V609	P581-R583 PolarHBondContact O-N 3.09Å; P581-E584 HydrophobicContact CB-CB 4.16Å; P581-E584 HydrophobicContact CG-CB 4.46Å; P581-E584 PolarHBondContact O-N 2.91Å; P581-E584 VanDerWaalsContact O-N 3.14Å; P581-V609 HydrophobicContact CG-CG2 4.43Å
582	L	89.4	Confident	94.1	Very high	153 Å²	153	70.5 Å²	70.5	80%	0.801	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	126.6	-179.6	-175.3	67.3	0	0	0	109.8	E584	L582-E584 PolarHBondContact O-N 3.12Å
583	R	92.1	Very high	94.4	Very high	233 Å²	233	70.4 Å²	70.4	88%	0.879	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	6.8	-176.5	-58.3	171.3	179.7	179.5	-0.6	115.9	P581 P585	P581-R583 PolarHBondContact O-N 3.09Å; R583-P585 WeakPolarHBondContact O-CD 3.43Å
584	E	95	Very high	94.8	Very high	71 Å²	71	71 Å²	71	33%	0.332	36%	0.355	S	S	.	.			trans	-121.8	75.6	174.1	-59.5	176.4	175.3	0	0	108.2	A580 P581 L582 T588 V609	A580-E584 WeakPolarHBondContact CB-O 3.37Å; P581-E584 HydrophobicContact CB-CB 4.16Å; P581-E584 HydrophobicContact CG-CB 4.46Å; P581-E584 PolarHBondContact O-N 2.91Å; P581-E584 VanDerWaalsContact O-N 3.14Å; L582-E584 PolarHBondContact O-N 3.12Å; E584-T588 HydrophobicContact CB-CG2 4.03Å; E584-T588 HydrophobicContact CG-CG2 4.23Å; E584-V609 HydrophobicContact CB-CG2 3.98Å
585	P	96.7	Very high	95.3	Very high	85 Å²	85	67.1 Å²	67.1	55%	0.552	35%	0.349	S	S	*	.			trans	-58.1	163.2	179.3	27.6	-36.2	0	0	0	111.6	R583 G587 T588	R583-P585 WeakPolarHBondContact O-CD 3.43Å; P585-G587 PolarHBondContact O-N 2.98Å; P585-T588 WeakPolarHBondContact CD-OG1 3.27Å; P585-T588 WeakPolarHBondContact O-CB 3.33Å; P585-T588 PolarHBondContact O-N 3.36Å; P585-T588 PolarHBondContact O-OG1 3.38Å
586	F	98.1	Very high	95.7	Very high	45 Å²	45	68.1 Å²	68.1	20%	0.197	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.4	174.6	-63.1	-66.7	0	0	0	111.4	D578 A580 V609 T610 A611 F702	D578-F586 HydrophobicContact CB-CE1 4.18Å; D578-F586 HydrophobicContact CB-CZ 3.79Å; A580-F586 HydrophobicContact CB-CD1 4.07Å; A580-F586 HydrophobicContact CB-CD2 4.24Å; A580-F586 HydrophobicContact CB-CE1 4.01Å; A580-F586 HydrophobicContact CB-CE2 4.18Å; A580-F586 HydrophobicContact CB-CG 4.18Å; A580-F586 HydrophobicContact CB-CZ 4.07Å; F586-V609 HydrophobicContact CD1-CG1 4.09Å; F586-T610 WeakPolarHBondContact CE1-O 3.47Å; F586-A611 HydrophobicContact CD1-CB 4.35Å; F586-A611 HydrophobicContact CE1-CB 4.03Å; F586-F702 HydrophobicContact CB-CB 4.17Å; F586-F702 HydrophobicContact CB-CD1 3.54Å; F586-F702 HydrophobicContact CB-CD2 3.66Å; F586-F702 HydrophobicContact CB-CE1 3.71Å; F586-F702 HydrophobicContact CB-CE2 3.84Å; F586-F702 HydrophobicContact CB-CG 3.5Å; F586-F702 HydrophobicContact CB-CZ 3.86Å; F586-F702 HydrophobicContact CD1-CE1 4.2Å; F586-F702 HydrophobicContact CD1-CZ 4.26Å; F586-F702 HydrophobicContact CD2-CD1 4.48Å; F586-F702 HydrophobicContact CG-CD1 4.07Å; F586-F702 AromaticContact CG-CE1 3.93Å; F586-F702 HydrophobicContact CG-CE1 3.93Å; F586-F702 HydrophobicContact CG-CZ 4.28Å
587	G	98.1	Very high	96	Very high	9 Å²	9	62.9 Å²	62.9	9%	0.093	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-6.2	-172.9	0	0	0	0	0	114.9	P585 V589 V609 G704	P585-G587 PolarHBondContact O-N 2.98Å; G587-V589 PolarHBondContact O-N 3.36Å; G587-V609 PolarHBondContact N-O 3.23Å; G587-G704 WeakPolarHBondContact O-CA 3.44Å
588	T	98.3	Very high	96.1	Very high	44 Å²	44	65.3 Å²	65.3	27%	0.27	34%	0.336	S	S	.	.			trans	-61.6	131.5	170.9	-69.7	0	0	0	0	110.8	E584 P585 F608 V609	E584-T588 HydrophobicContact CB-CG2 4.03Å; E584-T588 HydrophobicContact CG-CG2 4.23Å; P585-T588 WeakPolarHBondContact CD-OG1 3.27Å; P585-T588 WeakPolarHBondContact O-CB 3.33Å; P585-T588 PolarHBondContact O-N 3.36Å; P585-T588 PolarHBondContact O-OG1 3.38Å; T588-F608 CarbonylContact O-C 2.97Å; T588-F608 VanDerWaalsContact O-CA 3.3Å; T588-F608 WeakPolarHBondContact O-CA 3.46Å; T588-V609 PolarHBondContact O-N 2.97Å
589	V	98.4	Very high	95.9	Very high	24 Å²	24	70.1 Å²	70.1	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.4	174.6	-173.8	0	0	0	0	109.1	G587 K591 Q592 Y607 F608 V705 T706	G587-V589 PolarHBondContact O-N 3.36Å; V589-K591 VanDerWaalsContact CG1-O 3.29Å; V589-K591 WeakPolarHBondContact CG1-O 2.99Å; V589-Q592 VanDerWaalsContact CG1-CD 3.46Å; V589-Q592 HydrophobicContact CG1-CG 4Å; V589-Y607 CarbonylContact C-O 3.58Å; V589-Y607 WeakPolarHBondContact CA-O 3.31Å; V589-F608 HydrophobicContact CB-CD1 4.5Å; V589-F608 HydrophobicContact CB-CE1 4.42Å; V589-F608 HydrophobicContact CG2-CD1 3.74Å; V589-F608 HydrophobicContact CG2-CE1 3.32Å; V589-F608 HydrophobicContact CG2-CZ 3.97Å; V589-V705 WeakPolarHBondContact CG2-O 3.44Å; V589-T706 HydrophobicContact CG1-CG2 4.32Å; V589-T706 HydrophobicContact CG2-CG2 4.34Å
590	I	95.9	Very high	95.6	Very high	77 Å²	77	71.8 Å²	71.8	40%	0.395	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-37	-177.8	-45.3	176.5	0	0	0	110.5	Y607 V609 Y665	I590-Y607 PolarHBondContact N-O 2.9Å; I590-V609 HydrophobicContact CD1-CG2 3.52Å; I590-V609 HydrophobicContact CG1-CG2 3.82Å; I590-Y665 HydrophobicContact CD1-CD1 3.24Å; I590-Y665 HydrophobicContact CD1-CE1 3.11Å; I590-Y665 HydrophobicContact CD1-CG 4.43Å
591	K	97.6	Very high	95.3	Very high	89 Å²	89	75.8 Å²	75.8	39%	0.387	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108	170.6	-173.8	-176.9	-179.1	175	0	108.6	V589 E605 V606 Y607	V589-K591 VanDerWaalsContact CG1-O 3.29Å; V589-K591 WeakPolarHBondContact CG1-O 2.99Å; K591-E605 IonicContact NZ-OE1 3.75Å; K591-E605 PolarHBondContact NZ-OE1 3.48Å; K591-V606 WeakPolarHBondContact O-CA 3.31Å; K591-V606 WeakPolarHBondContact O-CB 3.13Å; K591-Y607 HydrophobicContact CB-CD2 3.63Å; K591-Y607 HydrophobicContact CB-CG 3.9Å; K591-Y607 HydrophobicContact CD-CD2 3.48Å; K591-Y607 VanDerWaalsContact CD-CD2 3.48Å; K591-Y607 HydrophobicContact CD-CE2 3.59Å; K591-Y607 HydrophobicContact CD-CG 4.42Å; K591-Y607 HydrophobicContact CG-CD2 4.14Å; K591-Y607 PolarHBondContact N-O 3.28Å; K591-Y607 PolarHBondContact O-N 2.82Å; K591-Y607 VanDerWaalsContact O-N 3.15Å
592	Q	98.3	Very high	95.5	Very high	66 Å²	66	76.9 Å²	76.9	31%	0.308	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-74.7	154.5	173	-68.5	-72.1	1.3	0	0	110.3	V589	V589-Q592 VanDerWaalsContact CG1-CD 3.46Å; V589-Q592 HydrophobicContact CG1-CG 4Å
593	P	98.3	Very high	95.8	Very high	15 Å²	15	72.7 Å²	72.7	10%	0.097	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.2	159.5	171.8	28.9	-32.3	0	0	0	110.5	Y597 V604 V606 T706 F709	P593-Y597 HydrophobicContact CB-CE2 4.22Å; P593-V604 HydrophobicContact CB-CG1 3.8Å; P593-V606 HydrophobicContact CB-CG1 3.79Å; P593-V606 HydrophobicContact CG-CG1 4.11Å; P593-T706 HydrophobicContact CG-CG2 4.48Å; P593-F709 HydrophobicContact CB-CB 4.42Å; P593-F709 HydrophobicContact CB-CD1 3.67Å; P593-F709 HydrophobicContact CB-CE1 3.98Å; P593-F709 HydrophobicContact CB-CG 4Å; P593-F709 HydrophobicContact CG-CB 4.28Å; P593-F709 HydrophobicContact CG-CD1 3.27Å; P593-F709 HydrophobicContact CG-CE1 3.75Å; P593-F709 HydrophobicContact CG-CG 3.97Å
594	N	97.9	Very high	96.1	Very high	106 Å²	106	61.6 Å²	61.6	57%	0.567	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-62.5	151.7	167.6	-69	-22.2	0	0	0	109.6	T596 Y597 F709	N594-T596 PolarHBondContact O-N 2.88Å; N594-Y597 HydrophobicContact CB-CE1 4.31Å; N594-Y597 HydrophobicContact CB-CE2 3.95Å; N594-Y597 PolarHBondContact N-OH 3.05Å; N594-Y597 VanDerWaalsContact N-OH 3.15Å; N594-Y597 WeakPolarHBondContact O-CE2 3.13Å; N594-F709 WeakPolarHBondContact O-CB 3.47Å
595	S	97.6	Very high	96.3	Very high	91 Å²	91	60.7 Å²	60.7	64%	0.636	32%	0.317	S	S	*	.	S	Bend	trans	-63.6	-30	-179.2	59.4	0	0	0	0	113.2	F709 T710	S595-F709 CarbonylContact O-C 3.5Å; S595-F709 WeakPolarHBondContact O-CA 3.43Å; S595-T710 PolarHBondContact O-N 3Å
596	T	97.5	Very high	96.4	Very high	36 Å²	36	56.6 Å²	56.6	22%	0.221	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.9	-176.9	-47.7	0	0	0	0	110.8	N594 Y598 T710 L712	N594-T596 PolarHBondContact O-N 2.88Å; T596-Y598 HydrophobicContact CG2-CD1 4.48Å; T596-Y598 HydrophobicContact CG2-CD2 4.36Å; T596-Y598 HydrophobicContact CG2-CE1 4.06Å; T596-Y598 HydrophobicContact CG2-CE2 3.91Å; T596-T710 CarbonylContact C-O 3.57Å; T596-T710 VanDerWaalsContact CA-O 3.25Å; T596-T710 WeakPolarHBondContact CA-O 3.45Å; T596-L712 HydrophobicContact CG2-CD1 3.69Å; T596-L712 HydrophobicContact CG2-CG 3.91Å
597	Y	97.1	Very high	96.4	Very high	14 Å²	14	57.6 Å²	57.6	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.6	168.3	-66.5	-89.3	0	0	0	109	P593 N594 D602 V604 F709 T710 V711 L712	P593-Y597 HydrophobicContact CB-CE2 4.22Å; N594-Y597 HydrophobicContact CB-CE1 4.31Å; N594-Y597 HydrophobicContact CB-CE2 3.95Å; N594-Y597 PolarHBondContact N-OH 3.05Å; N594-Y597 VanDerWaalsContact N-OH 3.15Å; N594-Y597 WeakPolarHBondContact O-CE2 3.13Å; Y597-D602 HydrophobicContact CD1-CB 3.76Å; Y597-D602 HydrophobicContact CG-CB 4.42Å; Y597-V604 HydrophobicContact CD1-CG2 4.37Å; Y597-V604 HydrophobicContact CD2-CG2 3.93Å; Y597-V604 HydrophobicContact CE1-CG2 4.12Å; Y597-V604 HydrophobicContact CE2-CB 4.29Å; Y597-V604 HydrophobicContact CE2-CG1 4.01Å; Y597-V604 HydrophobicContact CE2-CG2 3.7Å; Y597-V604 HydrophobicContact CG-CG2 4.25Å; Y597-F709 AromaticContact CD2-CD2 3.77Å; Y597-F709 HydrophobicContact CD2-CD2 3.77Å; Y597-F709 HydrophobicContact CD2-CE2 4.22Å; Y597-F709 AromaticContact CE2-CD2 3.85Å; Y597-F709 HydrophobicContact CE2-CD2 3.85Å; Y597-F709 HydrophobicContact CE2-CE2 4.22Å; Y597-F709 HydrophobicContact CE2-CG 4.42Å; Y597-T710 PolarHBondContact N-O 2.91Å; Y597-V711 WeakPolarHBondContact O-CA 3.34Å; Y597-L712 PolarHBondContact O-N 3.3Å
598	Y	94.4	Very high	96.4	Very high	112 Å²	112	57.2 Å²	57.2	44%	0.439	29%	0.289	S	S	.	.			trans	-106.3	-41.7	-168.5	-65.5	-92	0	0	0	111.3	T596 D602 L712 C713 E714	T596-Y598 HydrophobicContact CG2-CD1 4.48Å; T596-Y598 HydrophobicContact CG2-CD2 4.36Å; T596-Y598 HydrophobicContact CG2-CE1 4.06Å; T596-Y598 HydrophobicContact CG2-CE2 3.91Å; Y598-D602 PolarHBondContact N-OD2 3.1Å; Y598-L712 HydrophobicContact CD1-CD1 3.85Å; Y598-L712 HydrophobicContact CE1-CD1 3.7Å; Y598-C713 CarbonylContact O-C 3.55Å; Y598-C713 WeakPolarHBondContact O-CA 3.45Å; Y598-C713 PolarHBondContact O-N 3.38Å; Y598-E714 PolarHBondContact O-N 3.43Å
599	K	91.9	Very high	96.4	Very high	109 Å²	109	55.1 Å²	55.1	47%	0.474	28%	0.276	S	S	.	.	S	Bend	trans	-97.5	147.6	-169.3	-53.6	176.3	-178.8	177.8	0	111.1	N601 D602	K599-N601 PolarHBondContact O-N 2.77Å; K599-N601 VanDerWaalsContact O-N 3.16Å; K599-D602 WeakPolarHBondContact CB-OD1 3.09Å; K599-D602 PolarHBondContact N-OD2 2.59Å; K599-D602 WeakPolarHBondContact O-CB 3.14Å; K599-D602 PolarHBondContact O-N 2.85Å
600	K	89.2	Confident	96.4	Very high	83 Å²	83	54.1 Å²	54.1	36%	0.361	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.6	175.8	65.7	178.5	-175.8	-168.6	0	114	S673 C679 D719	K600-S673 WeakPolarHBondContact O-CB 3.28Å; K600-S673 PolarHBondContact O-N 2.79Å; K600-S673 PolarHBondContact O-OG 2.85Å; K600-C679 HydrophobicContact CB-CB 3.89Å; K600-D719 IonicContact NZ-OD2 3.58Å
601	N	88.1	Confident	96.4	Very high	111 Å²	111	50.5 Å²	50.5	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	8.7	-179.2	-65	-10.3	0	0	0	112.7	K599	K599-N601 PolarHBondContact O-N 2.77Å; K599-N601 VanDerWaalsContact O-N 3.16Å
602	D	95.2	Very high	96.3	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	23%	0.234	C	C	.	.			trans	-61.9	144	171.9	-74.8	-16.8	0	0	0	109.7	Y597 Y598 K599 V672	Y597-D602 HydrophobicContact CD1-CB 3.76Å; Y597-D602 HydrophobicContact CG-CB 4.42Å; Y598-D602 PolarHBondContact N-OD2 3.1Å; K599-D602 WeakPolarHBondContact CB-OD1 3.09Å; K599-D602 PolarHBondContact N-OD2 2.59Å; K599-D602 WeakPolarHBondContact O-CB 3.14Å; K599-D602 PolarHBondContact O-N 2.85Å; D602-V672 HydrophobicContact CB-CG2 4.25Å; D602-V672 WeakPolarHBondContact O-CG2 3.42Å; D602-V672 PolarHBondContact O-N 2.76Å
603	T	96.7	Very high	96.3	Very high	65 Å²	65	43.5 Å²	43.5	40%	0.399	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123	174.8	-60.5	0	0	0	0	109.3	E669 W670	T603-E669 HydrophobicContact CG2-CB 4.18Å; T603-W670 CarbonylContact C-O 3.56Å; T603-W670 WeakPolarHBondContact CA-O 3.18Å
604	V	98.5	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.5	170.7	-172.5	0	0	0	0	107.5	P593 Y597 V606 E669 W670 V672 I686 F709	P593-V604 HydrophobicContact CB-CG1 3.8Å; Y597-V604 HydrophobicContact CD1-CG2 4.37Å; Y597-V604 HydrophobicContact CD2-CG2 3.93Å; Y597-V604 HydrophobicContact CE1-CG2 4.12Å; Y597-V604 HydrophobicContact CE2-CB 4.29Å; Y597-V604 HydrophobicContact CE2-CG1 4.01Å; Y597-V604 HydrophobicContact CE2-CG2 3.7Å; Y597-V604 HydrophobicContact CG-CG2 4.25Å; V604-V606 HydrophobicContact CG1-CG1 4.2Å; V604-E669 CarbonylContact O-C 3.51Å; V604-E669 VanDerWaalsContact O-CA 3.28Å; V604-E669 WeakPolarHBondContact O-CA 3.12Å; V604-W670 HydrophobicContact CB-CB 4.33Å; V604-W670 HydrophobicContact CB-CE3 4.19Å; V604-W670 HydrophobicContact CG2-CD2 4.41Å; V604-W670 HydrophobicContact CG2-CE3 3.72Å; V604-W670 HydrophobicContact CG2-CZ3 4.2Å; V604-W670 PolarHBondContact N-O 3.24Å; V604-W670 PolarHBondContact O-N 3.32Å; V604-V672 HydrophobicContact CG2-CG2 3.97Å; V604-I686 HydrophobicContact CB-CD1 4.37Å; V604-I686 HydrophobicContact CG1-CD1 3.71Å; V604-F709 HydrophobicContact CG1-CE1 4.36Å; V604-F709 HydrophobicContact CG1-CE2 4.07Å; V604-F709 HydrophobicContact CG1-CZ 3.81Å; V604-F709 HydrophobicContact CG2-CE2 3.81Å; V604-F709 HydrophobicContact CG2-CZ 4.23Å
605	E	98.3	Very high	96	Very high	51 Å²	51	38.9 Å²	38.9	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.7	-179.9	-170.5	-161.3	37.2	0	0	109.7	K591 Y607 I667 I668 E669	K591-E605 IonicContact NZ-OE1 3.75Å; K591-E605 PolarHBondContact NZ-OE1 3.48Å; E605-Y607 VanDerWaalsContact CD-CE2 3.49Å; E605-Y607 HydrophobicContact CG-CD2 4.49Å; E605-Y607 HydrophobicContact CG-CE2 3.73Å; E605-Y607 WeakPolarHBondContact OE2-CE2 3.1Å; E605-Y607 PolarHBondContact OE2-OH 3.41Å; E605-I667 HydrophobicContact CG-CG2 4.03Å; E605-I668 WeakPolarHBondContact CA-O 3.3Å; E605-E669 HydrophobicContact CG-CG 4.07Å
606	V	98.7	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.6	-175.1	-60.1	0	0	0	0	111.6	K591 P593 V604 F608 I667 I668 I686 T706	K591-V606 WeakPolarHBondContact O-CA 3.31Å; K591-V606 WeakPolarHBondContact O-CB 3.13Å; P593-V606 HydrophobicContact CB-CG1 3.79Å; P593-V606 HydrophobicContact CG-CG1 4.11Å; V604-V606 HydrophobicContact CG1-CG1 4.2Å; V606-F608 HydrophobicContact CB-CE2 4.38Å; V606-F608 HydrophobicContact CG2-CD2 4.37Å; V606-F608 HydrophobicContact CG2-CE2 3.67Å; V606-I667 WeakPolarHBondContact O-CA 3.33Å; V606-I668 HydrophobicContact CG2-CB 3.87Å; V606-I668 HydrophobicContact CG2-CG2 4.39Å; V606-I668 PolarHBondContact N-O 2.71Å; V606-I668 PolarHBondContact O-N 2.72Å; V606-I686 HydrophobicContact CG1-CD1 4.26Å; V606-I686 HydrophobicContact CG2-CB 4.22Å; V606-I686 HydrophobicContact CG2-CD1 3.79Å; V606-I686 HydrophobicContact CG2-CG2 3.95Å; V606-T706 HydrophobicContact CB-CG2 4.12Å; V606-T706 HydrophobicContact CG1-CG2 4.01Å; V606-T706 HydrophobicContact CG2-CG2 4.15Å
607	Y	98.2	Very high	95.8	Very high	66 Å²	66	36 Å²	36	26%	0.259	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.3	-173.3	-70.1	-129.9	0	0	0	109.6	V589 I590 K591 E605 A666 I667	V589-Y607 CarbonylContact C-O 3.58Å; V589-Y607 WeakPolarHBondContact CA-O 3.31Å; I590-Y607 PolarHBondContact N-O 2.9Å; K591-Y607 HydrophobicContact CB-CD2 3.63Å; K591-Y607 HydrophobicContact CB-CG 3.9Å; K591-Y607 HydrophobicContact CD-CD2 3.48Å; K591-Y607 VanDerWaalsContact CD-CD2 3.48Å; K591-Y607 HydrophobicContact CD-CE2 3.59Å; K591-Y607 HydrophobicContact CD-CG 4.42Å; K591-Y607 HydrophobicContact CG-CD2 4.14Å; K591-Y607 PolarHBondContact N-O 3.28Å; K591-Y607 PolarHBondContact O-N 2.82Å; K591-Y607 VanDerWaalsContact O-N 3.15Å; E605-Y607 VanDerWaalsContact CD-CE2 3.49Å; E605-Y607 HydrophobicContact CG-CD2 4.49Å; E605-Y607 HydrophobicContact CG-CE2 3.73Å; E605-Y607 WeakPolarHBondContact OE2-CE2 3.1Å; E605-Y607 PolarHBondContact OE2-OH 3.41Å; Y607-A666 CarbonylContact C-O 3.6Å; Y607-A666 WeakPolarHBondContact CA-O 3.06Å; Y607-I667 HydrophobicContact CD1-CD1 4.3Å; Y607-I667 HydrophobicContact CD1-CG1 3.79Å; Y607-I667 HydrophobicContact CD2-CG2 4.22Å; Y607-I667 HydrophobicContact CE1-CD1 3.58Å; Y607-I667 HydrophobicContact CE1-CG1 3.54Å; Y607-I667 HydrophobicContact CE1-CG2 4.36Å; Y607-I667 HydrophobicContact CE2-CG1 4.37Å; Y607-I667 HydrophobicContact CE2-CG2 3.7Å; Y607-I667 HydrophobicContact CG-CG1 4.3Å
608	F	98.5	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.5	176.5	-67.1	-97.3	0	0	0	111	T588 V589 V606 T610 Y665 A666 I668 I686 H688 G704 T706	T588-F608 CarbonylContact O-C 2.97Å; T588-F608 VanDerWaalsContact O-CA 3.3Å; T588-F608 WeakPolarHBondContact O-CA 3.46Å; V589-F608 HydrophobicContact CB-CD1 4.5Å; V589-F608 HydrophobicContact CB-CE1 4.42Å; V589-F608 HydrophobicContact CG2-CD1 3.74Å; V589-F608 HydrophobicContact CG2-CE1 3.32Å; V589-F608 HydrophobicContact CG2-CZ 3.97Å; V606-F608 HydrophobicContact CB-CE2 4.38Å; V606-F608 HydrophobicContact CG2-CD2 4.37Å; V606-F608 HydrophobicContact CG2-CE2 3.67Å; F608-T610 PolarHBondContact O-N 3.3Å; F608-Y665 CarbonylContact O-C 3.59Å; F608-Y665 VanDerWaalsContact O-CA 3.23Å; F608-Y665 WeakPolarHBondContact O-CA 3.46Å; F608-A666 HydrophobicContact CB-CB 4.36Å; F608-A666 PolarHBondContact N-O 3.04Å; F608-A666 PolarHBondContact O-N 3.41Å; F608-I668 HydrophobicContact CD2-CD1 4.02Å; F608-I668 HydrophobicContact CE2-CD1 3.84Å; F608-I686 HydrophobicContact CE2-CG2 4.26Å; F608-I686 HydrophobicContact CZ-CG2 4.47Å; F608-H688 HydrophobicContact CB-CB 4.48Å; F608-H688 HydrophobicContact CD1-CB 3.9Å; F608-H688 HydrophobicContact CD2-CB 3.8Å; F608-H688 HydrophobicContact CE1-CB 3.93Å; F608-H688 HydrophobicContact CE2-CB 3.84Å; F608-H688 HydrophobicContact CG-CB 3.81Å; F608-H688 HydrophobicContact CZ-CB 3.89Å; F608-G704 VanDerWaalsContact CE1-C 3.47Å; F608-T706 HydrophobicContact CE2-CG2 4.18Å; F608-T706 HydrophobicContact CZ-CG2 3.65Å
609	V	98	Very high	95.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	123.3	159.3	-179.8	0	0	0	0	108	A580 P581 E584 F586 G587 T588 I590 Y665	A580-V609 HydrophobicContact CB-CG1 3.96Å; P581-V609 HydrophobicContact CG-CG2 4.43Å; E584-V609 HydrophobicContact CB-CG2 3.98Å; F586-V609 HydrophobicContact CD1-CG1 4.09Å; G587-V609 PolarHBondContact N-O 3.23Å; T588-V609 PolarHBondContact O-N 2.97Å; I590-V609 HydrophobicContact CD1-CG2 3.52Å; I590-V609 HydrophobicContact CG1-CG2 3.82Å; V609-Y665 HydrophobicContact CG2-CE1 4.39Å
610	T	97.9	Very high	95.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	179.3	-177.8	-159.1	0	0	0	0	112.3	F586 F608 S664 A666 H688	F586-T610 WeakPolarHBondContact CE1-O 3.47Å; F608-T610 PolarHBondContact O-N 3.3Å; T610-S664 PolarHBondContact N-O 2.78Å; T610-S664 VanDerWaalsContact O-O 3.06Å; T610-S664 PolarHBondContact O-OG 3.35Å; T610-A666 HydrophobicContact CG2-CB 3.76Å; T610-A666 VanDerWaalsContact CG2-N 3.26Å; T610-H688 WeakPolarHBondContact CB-NE2 3.29Å; T610-H688 PolarHBondContact OG1-NE2 2.73Å
611	A	96.7	Very high	96	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	16%	0.159	C	C	.	.			trans	-116.7	172.4	173	0	0	0	0	0	109.8	D578 F586 P613 W651 S664 T691 F702	D578-A611 HydrophobicContact CB-CB 3.77Å; D578-A611 VanDerWaalsContact CG-CB 3.49Å; F586-A611 HydrophobicContact CD1-CB 4.35Å; F586-A611 HydrophobicContact CE1-CB 4.03Å; A611-P613 VanDerWaalsContact O-CD 3.24Å; A611-P613 WeakPolarHBondContact O-CD 3.46Å; A611-W651 PolarHBondContact O-NE1 2.95Å; A611-S664 WeakPolarHBondContact CA-OG 3.4Å; A611-T691 WeakPolarHBondContact CB-O 3.38Å; A611-F702 HydrophobicContact CB-CE1 3.95Å; A611-F702 HydrophobicContact CB-CZ 4.2Å
612	S	95.8	Very high	96.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	14%	0.137	C	C	.	.			trans	-60.4	126	177.4	-177.7	0	0	0	0	112.5	I575 D578 R614 N615	I575-S612 WeakPolarHBondContact CD1-OG 3.35Å; D578-S612 PolarHBondContact OD1-N 2.7Å; S612-R614 PolarHBondContact O-N 2.99Å; S612-R614 VanDerWaalsContact O-N 3.1Å; S612-R614 PolarHBondContact OG-N 2.81Å; S612-N615 WeakPolarHBondContact O-CB 3.48Å; S612-N615 PolarHBondContact O-N 3.43Å; S612-N615 PolarHBondContact O-ND2 3.26Å
613	P	97.1	Very high	96.7	Very high	6 Å²	6	23 Å²	23	4%	0.039	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-50.5	-28.4	169.1	-30	29.8	0	0	0	114.7	I42 T43 A611 N615 N616 Y623 F649 W651	I42-P613 HydrophobicContact CD1-CB 3.96Å; I42-P613 HydrophobicContact CD1-CG 4.14Å; I42-P613 HydrophobicContact CG1-CB 3.52Å; I42-P613 HydrophobicContact CG1-CG 4.04Å; T43-P613 HydrophobicContact CG2-CB 3.93Å; T43-P613 HydrophobicContact CG2-CG 3.91Å; A611-P613 VanDerWaalsContact O-CD 3.24Å; A611-P613 WeakPolarHBondContact O-CD 3.46Å; P613-N615 PolarHBondContact O-N 3.04Å; P613-N616 CarbonylContact O-C 3.51Å; P613-N616 PolarHBondContact O-N 3.29Å; P613-Y623 HydrophobicContact CB-CE1 3.78Å; P613-Y623 HydrophobicContact CG-CE1 4.37Å; P613-Y623 PolarHBondContact O-OH 2.92Å; P613-F649 HydrophobicContact CG-CE1 3.79Å; P613-F649 HydrophobicContact CG-CZ 4.11Å; P613-W651 HydrophobicContact CG-CB 4.08Å; P613-W651 HydrophobicContact CG-CG 4.07Å
614	R	95.4	Very high	96.7	Very high	18 Å²	18	19.9 Å²	19.9	7%	0.068	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-62.7	-15.5	177.1	-72.9	-175.6	59.8	-165.1	-0.8	114.3	P41 T43 E146 P573 I575 S612 N616	P41-R614 HydrophobicContact CB-CG 3.89Å; T43-R614 HydrophobicContact CG2-CG 3.88Å; T43-R614 VanDerWaalsContact O-CD 3.22Å; T43-R614 WeakPolarHBondContact O-CD 3.3Å; T43-R614 WeakPolarHBondContact O-CG 3.31Å; E146-R614 IonicContact OE1-CZ 2.64Å; E146-R614 IonicContact OE1-NE 2.66Å; E146-R614 IonicContact OE1-NH2 2.76Å; E146-R614 PolarHBondContact OE1-NH2 3.13Å; P573-R614 PolarHBondContact O-NH1 2.97Å; I575-R614 HydrophobicContact CG1-CB 3.89Å; S612-R614 PolarHBondContact O-N 2.99Å; S612-R614 VanDerWaalsContact O-N 3.1Å; S612-R614 PolarHBondContact OG-N 2.81Å; R614-N616 VanDerWaalsContact C-N 3.27Å; R614-N616 PolarHBondContact O-N 2.95Å
615	N	95.7	Very high	96.8	Very high	6 Å²	6	20 Å²	20	3%	0.032	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-67.7	-29.1	173.6	-71.2	-43.1	0	0	0	112.9	D578 S612 P613 T691 K693 K699	D578-N615 PolarHBondContact OD2-ND2 2.83Å; S612-N615 WeakPolarHBondContact O-CB 3.48Å; S612-N615 PolarHBondContact O-N 3.43Å; S612-N615 PolarHBondContact O-ND2 3.26Å; P613-N615 PolarHBondContact O-N 3.04Å; N615-T691 HydrophobicContact CB-CG2 4.28Å; N615-T691 WeakPolarHBondContact CB-O 3.21Å; N615-T691 PolarHBondContact ND2-O 3.26Å; N615-K693 WeakPolarHBondContact OD1-CB 3.4Å; N615-K699 VanDerWaalsContact O-CE 3.31Å; N615-K699 WeakPolarHBondContact O-CE 3.06Å; N615-K699 PolarHBondContact O-NZ 2.03Å
616	N	95.8	Very high	96.8	Very high	48 Å²	48	17.6 Å²	17.6	26%	0.257	10%	0.097	S	C	.	.			trans	-159.3	115	175.7	-177.5	-0.6	0	0	0	108.9	P613 R614 F618 Y623 T691 H701	P613-N616 CarbonylContact O-C 3.51Å; P613-N616 PolarHBondContact O-N 3.29Å; R614-N616 VanDerWaalsContact C-N 3.27Å; R614-N616 PolarHBondContact O-N 2.95Å; N616-F618 HydrophobicContact CB-CD2 4.21Å; N616-F618 HydrophobicContact CB-CE2 4.07Å; N616-F618 HydrophobicContact CB-CZ 4.49Å; N616-F618 WeakPolarHBondContact O-CD2 3.33Å; N616-F618 PolarHBondContact O-N 3.17Å; N616-F618 PolarHBondContact OD1-N 3.44Å; N616-Y623 PolarHBondContact O-OH 2.87Å; N616-Y623 VanDerWaalsContact O-OH 3.04Å; N616-T691 HydrophobicContact CB-CG2 4.28Å; N616-T691 VanDerWaalsContact CB-OG1 3.29Å; N616-T691 WeakPolarHBondContact CB-OG1 3.48Å; N616-T691 PolarHBondContact ND2-OG1 2.83Å; N616-H701 PolarHBondContact ND2-CE1 3.16Å
617	V	95.7	Very high	96.7	Very high	19 Å²	19	18.1 Å²	18.1	12%	0.115	10%	0.1	C	C	.	.			trans	-69.1	-10.8	179.8	-59.9	0	0	0	0	113.5	R63 P150 L619 Y623	R63-V617 PolarHBondContact NH1-O 3.02Å; R63-V617 VanDerWaalsContact NH1-O 3.1Å; P150-V617 HydrophobicContact CG-CG2 4.06Å; V617-L619 VanDerWaalsContact C-N 3.34Å; V617-L619 HydrophobicContact CG2-CG 3.86Å; V617-L619 PolarHBondContact O-N 3.03Å; V617-Y623 WeakPolarHBondContact CA-OH 3.48Å; V617-Y623 PolarHBondContact O-OH 3.24Å
618	F	94.9	Very high	96.7	Very high	33 Å²	33	16.3 Å²	16.3	15%	0.145	10%	0.095	C	C	.	.			trans	52.8	47.8	-177.1	-71.4	-85.5	0	0	0	112.8	R63 N616 N620 G621 Y623 F689	R63-F618 PolarHBondContact NH1-O 2.79Å; R63-F618 VanDerWaalsContact NH1-O 3.13Å; R63-F618 PolarHBondContact NH2-O 2.88Å; N616-F618 HydrophobicContact CB-CD2 4.21Å; N616-F618 HydrophobicContact CB-CE2 4.07Å; N616-F618 HydrophobicContact CB-CZ 4.49Å; N616-F618 WeakPolarHBondContact O-CD2 3.33Å; N616-F618 PolarHBondContact O-N 3.17Å; N616-F618 PolarHBondContact OD1-N 3.44Å; F618-N620 PolarHBondContact O-N 3.39Å; F618-G621 CarbonylContact O-C 3.55Å; F618-G621 WeakPolarHBondContact O-CA 3.35Å; F618-G621 PolarHBondContact O-N 2.71Å; F618-Y623 AromaticContact CD2-CD1 3.75Å; F618-Y623 HydrophobicContact CD2-CD1 3.75Å; F618-Y623 AromaticContact CD2-CE1 3.37Å; F618-Y623 HydrophobicContact CD2-CE1 3.37Å; F618-Y623 HydrophobicContact CD2-CE2 4.46Å; F618-Y623 HydrophobicContact CD2-CG 4.46Å; F618-Y623 AromaticContact CD2-CZ 3.77Å; F618-Y623 AromaticContact CE2-CD1 3.97Å; F618-Y623 HydrophobicContact CE2-CD1 3.97Å; F618-Y623 AromaticContact CE2-CE1 3.75Å; F618-Y623 HydrophobicContact CE2-CE1 3.75Å; F618-F689 HydrophobicContact CE1-CB 4.42Å; F618-F689 HydrophobicContact CZ-CB 4.35Å
619	L	93.2	Very high	96.7	Very high	46 Å²	46	19.7 Å²	19.7	24%	0.241	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	127	172.6	-86.3	-179	0	0	0	110.1	D37 P150 V617 G621	D37-L619 HydrophobicContact CB-CD2 4.07Å; D37-L619 WeakPolarHBondContact O-CD2 3.36Å; D37-L619 WeakPolarHBondContact OD2-CA 3.23Å; P150-L619 HydrophobicContact CB-CD1 3.85Å; P150-L619 HydrophobicContact CB-CD2 3.99Å; P150-L619 HydrophobicContact CB-CG 4.12Å; P150-L619 HydrophobicContact CG-CD1 4.32Å; V617-L619 VanDerWaalsContact C-N 3.34Å; V617-L619 HydrophobicContact CG2-CG 3.86Å; V617-L619 PolarHBondContact O-N 3.03Å; L619-G621 PolarHBondContact O-N 3.11Å; L619-G621 VanDerWaalsContact O-N 3.07Å
620	N	93	Very high	96.6	Very high	56 Å²	56	21.8 Å²	21.8	30%	0.299	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	9	179.8	-103.5	-15.6	0	0	0	114.9	H36 D37 K266 F618	H36-N620 PolarHBondContact CD2-ND2 3.39Å; H36-N620 VanDerWaalsContact CD2-ND2 3.35Å; H36-N620 PolarHBondContact CE1-ND2 3.39Å; H36-N620 PolarHBondContact NE2-ND2 3.47Å; D37-N620 PolarHBondContact OD2-N 3.14Å; K266-N620 PolarHBondContact NZ-ND2 2.91Å; K266-N620 PolarHBondContact NZ-O 3.19Å; K266-N620 PolarHBondContact NZ-OD1 3.29Å; F618-N620 PolarHBondContact O-N 3.39Å
621	G	95.5	Very high	96.5	Very high	38 Å²	38	29.2 Å²	29.2	39%	0.392	15%	0.151	S	C	.	.	S	Bend	trans	-111.6	-152.6	172.7	0	0	0	0	0	111.2	F618 L619	F618-G621 CarbonylContact O-C 3.55Å; F618-G621 WeakPolarHBondContact O-CA 3.35Å; F618-G621 PolarHBondContact O-N 2.71Å; L619-G621 PolarHBondContact O-N 3.11Å; L619-G621 VanDerWaalsContact O-N 3.07Å
622	T	97.9	Very high	96.4	Very high	22 Å²	22	35.3 Å²	35.3	14%	0.135	19%	0.188	C	C	.	.			trans	-154.4	149.3	178.3	-177.7	0	0	0	0	111.5	L624 T625 T641 D642 F689	T622-L624 WeakPolarHBondContact CG2-O 3.09Å; T622-L624 PolarHBondContact OG1-N 3.49Å; T622-L624 VanDerWaalsContact OG1-N 3.1Å; T622-L624 PolarHBondContact OG1-O 3.22Å; T622-T625 HydrophobicContact CG2-CG2 3.92Å; T622-T641 HydrophobicContact CG2-CG2 3.98Å; T622-D642 VanDerWaalsContact CA-OD2 3.27Å; T622-D642 WeakPolarHBondContact CA-OD2 3.38Å; T622-D642 PolarHBondContact OG1-N 3.44Å; T622-D642 PolarHBondContact OG1-OD1 2.86Å; T622-D642 PolarHBondContact OG1-OD2 2.84Å; T622-F689 HydrophobicContact CG2-CD2 4.18Å; T622-F689 HydrophobicContact CG2-CE2 4.13Å
623	Y	98.5	Very high	96.3	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	22%	0.215	C	C	.	.	S	Bend	trans	-80.7	-19.5	168.8	-68.6	-78.5	0	0	0	112.9	I42 L60 P613 N616 V617 F618 D642 F649 H688 F689	I42-Y623 HydrophobicContact CD1-CD2 3.71Å; I42-Y623 HydrophobicContact CD1-CE1 4.35Å; I42-Y623 HydrophobicContact CD1-CE2 3.35Å; I42-Y623 HydrophobicContact CD1-CG 4.38Å; I42-Y623 HydrophobicContact CG1-CE2 4.03Å; L60-Y623 HydrophobicContact CD2-CD2 4.19Å; L60-Y623 HydrophobicContact CD2-CE2 4.48Å; P613-Y623 HydrophobicContact CB-CE1 3.78Å; P613-Y623 HydrophobicContact CG-CE1 4.37Å; P613-Y623 PolarHBondContact O-OH 2.92Å; N616-Y623 PolarHBondContact O-OH 2.87Å; N616-Y623 VanDerWaalsContact O-OH 3.04Å; V617-Y623 WeakPolarHBondContact CA-OH 3.48Å; V617-Y623 PolarHBondContact O-OH 3.24Å; F618-Y623 AromaticContact CD2-CD1 3.75Å; F618-Y623 HydrophobicContact CD2-CD1 3.75Å; F618-Y623 AromaticContact CD2-CE1 3.37Å; F618-Y623 HydrophobicContact CD2-CE1 3.37Å; F618-Y623 HydrophobicContact CD2-CE2 4.46Å; F618-Y623 HydrophobicContact CD2-CG 4.46Å; F618-Y623 AromaticContact CD2-CZ 3.77Å; F618-Y623 AromaticContact CE2-CD1 3.97Å; F618-Y623 HydrophobicContact CE2-CD1 3.97Å; F618-Y623 AromaticContact CE2-CE1 3.75Å; F618-Y623 HydrophobicContact CE2-CE1 3.75Å; Y623-D642 WeakPolarHBondContact CD2-OD2 3.21Å; Y623-D642 PolarHBondContact N-OD2 2.92Å; Y623-F649 HydrophobicContact CD1-CZ 4.29Å; Y623-F649 HydrophobicContact CG-CE2 4.43Å; Y623-F649 HydrophobicContact CG-CZ 4.43Å; Y623-H688 WeakPolarHBondContact O-CA 3.25Å; Y623-H688 PolarHBondContact O-ND1 3.44Å; Y623-F689 PolarHBondContact O-N 3.31Å
624	L	98.6	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.8	-178.7	70.1	97.1	0	0	0	113.7	T622 V626 T641 D642 T647 F649 I668 K687	T622-L624 WeakPolarHBondContact CG2-O 3.09Å; T622-L624 PolarHBondContact OG1-N 3.49Å; T622-L624 VanDerWaalsContact OG1-N 3.1Å; T622-L624 PolarHBondContact OG1-O 3.22Å; L624-V626 HydrophobicContact CD1-CG2 4.49Å; L624-T641 WeakPolarHBondContact O-CA 3.35Å; L624-D642 HydrophobicContact CD2-CB 4.11Å; L624-D642 HydrophobicContact CG-CB 4.1Å; L624-T647 HydrophobicContact CD1-CG2 3.88Å; L624-F649 HydrophobicContact CD2-CB 3.91Å; L624-F649 HydrophobicContact CD2-CD2 4.36Å; L624-I668 HydrophobicContact CB-CD1 3.64Å; L624-I668 HydrophobicContact CB-CG1 4.23Å; L624-I668 HydrophobicContact CB-CG2 4.44Å; L624-I668 HydrophobicContact CD1-CG2 4.32Å; L624-I668 HydrophobicContact CD2-CD1 4.37Å; L624-I668 HydrophobicContact CD2-CG1 4.01Å; L624-I668 HydrophobicContact CD2-CG2 3.91Å; L624-I668 HydrophobicContact CG-CG2 4.46Å; L624-K687 CarbonylContact C-O 3.38Å; L624-K687 WeakPolarHBondContact CA-O 3.4Å
625	T	98.6	Very high	96.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.4	163.5	48.3	0	0	0	0	109.9	T622 E627 I638 Y640 T641 I686 K687 F689	T622-T625 HydrophobicContact CG2-CG2 3.92Å; T625-E627 PolarHBondContact OG1-OE1 2.74Å; T625-I638 HydrophobicContact CG2-CD1 3.87Å; T625-I638 HydrophobicContact CG2-CG1 3.99Å; T625-I638 HydrophobicContact CG2-CG2 3.87Å; T625-Y640 CarbonylContact C-O 3.59Å; T625-Y640 WeakPolarHBondContact CA-O 3.44Å; T625-T641 HydrophobicContact CG2-CG2 3.91Å; T625-I686 WeakPolarHBondContact O-CA 3.28Å; T625-K687 PolarHBondContact N-O 2.91Å; T625-K687 PolarHBondContact O-N 3.49Å; T625-K687 WeakPolarHBondContact OG1-CB 3.42Å; T625-F689 HydrophobicContact CG2-CE2 3.96Å; T625-F689 HydrophobicContact CG2-CZ 4.46Å
626	V	98.5	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.1	159.8	-179.8	0	0	0	0	106.6	L624 M639 Y640 T647 W670 Y684 I686	L624-V626 HydrophobicContact CD1-CG2 4.49Å; V626-M639 PolarHBondContact O-N 3.03Å; V626-Y640 HydrophobicContact CB-CD2 4.12Å; V626-Y640 HydrophobicContact CG1-CD2 4.2Å; V626-Y640 HydrophobicContact CG2-CD2 4.47Å; V626-Y640 PolarHBondContact N-O 3.49Å; V626-Y640 PolarHBondContact O-N 2.81Å; V626-T647 HydrophobicContact CG2-CG2 3.94Å; V626-W670 HydrophobicContact CB-CD2 4.4Å; V626-W670 HydrophobicContact CB-CE3 4.5Å; V626-W670 HydrophobicContact CG1-CD2 3.66Å; V626-W670 HydrophobicContact CG1-CE3 3.49Å; V626-W670 VanDerWaalsContact CG1-CE3 3.49Å; V626-W670 HydrophobicContact CG1-CG 4.44Å; V626-W670 HydrophobicContact CG1-CH2 3.77Å; V626-W670 HydrophobicContact CG1-CZ2 3.92Å; V626-W670 HydrophobicContact CG1-CZ3 3.52Å; V626-W670 HydrophobicContact CG2-CB 4.08Å; V626-W670 HydrophobicContact CG2-CD2 3.88Å; V626-W670 HydrophobicContact CG2-CE3 4.17Å; V626-W670 HydrophobicContact CG2-CG 3.79Å; V626-Y684 HydrophobicContact CG1-CD1 3.98Å; V626-I686 HydrophobicContact CG2-CG1 4.38Å
627	E	98.3	Very high	96.4	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.8	-174.5	-62.3	172.9	-170.9	0	0	110.2	T625 W636 N637 I638 Y684 R685	T625-E627 PolarHBondContact OG1-OE1 2.74Å; E627-W636 HydrophobicContact CB-CB 4.23Å; E627-W636 HydrophobicContact CB-CE3 3.81Å; E627-W636 WeakPolarHBondContact O-CZ3 3.45Å; E627-N637 CarbonylContact C-O 3.6Å; E627-N637 VanDerWaalsContact CA-O 3.22Å; E627-N637 WeakPolarHBondContact CA-O 3.36Å; E627-I638 HydrophobicContact CG-CG1 4.17Å; E627-Y684 CarbonylContact O-C 3.58Å; E627-Y684 WeakPolarHBondContact O-CA 3.32Å; E627-R685 HydrophobicContact CB-CG 4.08Å; E627-R685 PolarHBondContact N-O 2.81Å; E627-R685 PolarHBondContact O-N 3.45Å; E627-R685 IonicContact OE2-CZ 3.62Å; E627-R685 IonicContact OE2-NE 3.99Å; E627-R685 PolarHBondContact OE2-NE 2.55Å; E627-R685 IonicContact OE2-NH2 3.99Å; E627-R685 PolarHBondContact OE2-NH2 3.35Å
628	I	97.6	Very high	96.5	Very high	28 Å²	28	54.5 Å²	54.5	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.4	172.3	-164.2	176.5	0	0	0	109.8	N637 M639 I680 Y684	I628-N637 HydrophobicContact CG2-CB 4.12Å; I628-N637 PolarHBondContact N-O 3.01Å; I628-N637 PolarHBondContact O-N 3.39Å; I628-M639 HydrophobicContact CB-CG 3.73Å; I628-M639 HydrophobicContact CB-SD 4.46Å; I628-M639 HydrophobicContact CG2-CG 3.48Å; I628-M639 VanDerWaalsContact CG2-CG 3.48Å; I628-M639 HydrophobicContact CG2-SD 3.72Å; I628-I680 HydrophobicContact CD1-CG2 4.1Å; I628-Y684 HydrophobicContact CB-CD1 3.9Å; I628-Y684 HydrophobicContact CB-CE1 3.61Å; I628-Y684 HydrophobicContact CD1-CE1 3.96Å; I628-Y684 HydrophobicContact CD1-CE2 4.24Å; I628-Y684 WeakPolarHBondContact CD1-OH 3.35Å; I628-Y684 HydrophobicContact CG1-CD1 4.14Å; I628-Y684 HydrophobicContact CG1-CE1 3.74Å; I628-Y684 HydrophobicContact CG1-CE2 4.23Å
629	Y	98.4	Very high	96.5	Very high	70 Å²	70	55.7 Å²	55.7	28%	0.275	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119	177.5	-177.5	-122.3	0	0	0	111.2	K631 D634 E635 W636 T683	Y629-K631 HydrophobicContact CD1-CG 3.82Å; Y629-K631 HydrophobicContact CE1-CB 4.47Å; Y629-K631 HydrophobicContact CE1-CG 3.71Å; Y629-D634 WeakPolarHBondContact CE2-OD1 3.23Å; Y629-D634 PolarHBondContact OH-OD1 3.49Å; Y629-E635 WeakPolarHBondContact CD2-O 3.11Å; Y629-W636 HydrophobicContact CD2-CD2 4.22Å; Y629-W636 AromaticContact CD2-CE2 3.91Å; Y629-W636 HydrophobicContact CD2-CZ2 4.26Å; Y629-W636 AromaticContact CD2-NE1 3.93Å; Y629-W636 HydrophobicContact CG-CZ2 4.36Å; Y629-T683 PolarHBondContact N-O 2.94Å
630	N	96.6	Very high	96.6	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	100.8	172.5	-175.3	-18.9	0	0	0	109.8	T632 L633 D634 E635	N630-T632 PolarHBondContact O-N 3.04Å; N630-T632 WeakPolarHBondContact OD1-CB 3.38Å; N630-T632 PolarHBondContact OD1-N 3.34Å; N630-L633 PolarHBondContact O-N 2.84Å; N630-L633 PolarHBondContact OD1-N 3.12Å; N630-D634 WeakPolarHBondContact O-CA 3.26Å; N630-D634 PolarHBondContact O-N 3.37Å; N630-E635 HydrophobicContact CB-CG 4.24Å; N630-E635 PolarHBondContact N-O 3.28Å; N630-E635 PolarHBondContact O-N 2.95Å
631	K	93.8	Very high	96.8	Very high	159 Å²	159	52.2 Å²	52.2	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.3	179.7	-67.9	-178.3	179.7	178	0	113.9	Y629	Y629-K631 HydrophobicContact CD1-CG 3.82Å; Y629-K631 HydrophobicContact CE1-CB 4.47Å; Y629-K631 HydrophobicContact CE1-CG 3.71Å
632	T	94.9	Very high	96.9	Very high	129 Å²	129	50.5 Å²	50.5	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-36.2	-176.9	-52.1	0	0	0	0	111.7	N630	N630-T632 PolarHBondContact O-N 3.04Å; N630-T632 WeakPolarHBondContact OD1-CB 3.38Å; N630-T632 PolarHBondContact OD1-N 3.34Å
633	L	94.9	Very high	96.9	Very high	109 Å²	109	49.7 Å²	49.7	57%	0.571	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-5.5	-178.4	-64.1	178.8	0	0	0	113	N630 E635	N630-L633 PolarHBondContact O-N 2.84Å; N630-L633 PolarHBondContact OD1-N 3.12Å; L633-E635 HydrophobicContact CB-CG 3.77Å; L633-E635 WeakPolarHBondContact CD1-OE1 3.46Å; L633-E635 PolarHBondContact O-N 2.87Å
634	D	95.7	Very high	96.8	Very high	120 Å²	120	50.1 Å²	50.1	64%	0.642	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	41	-173.8	-165.6	25.3	0	0	0	112.7	Y629 N630	Y629-D634 WeakPolarHBondContact CE2-OD1 3.23Å; Y629-D634 PolarHBondContact OH-OD1 3.49Å; N630-D634 WeakPolarHBondContact O-CA 3.26Å; N630-D634 PolarHBondContact O-N 3.37Å
635	E	96.9	Very high	96.8	Very high	81 Å²	81	51.7 Å²	51.7	38%	0.379	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.3	-175.9	75.4	-175.9	174.3	0	0	112.4	Y629 N630 L633 N637	Y629-E635 WeakPolarHBondContact CD2-O 3.11Å; N630-E635 HydrophobicContact CB-CG 4.24Å; N630-E635 PolarHBondContact N-O 3.28Å; N630-E635 PolarHBondContact O-N 2.95Å; L633-E635 HydrophobicContact CB-CG 3.77Å; L633-E635 WeakPolarHBondContact CD1-OE1 3.46Å; L633-E635 PolarHBondContact O-N 2.87Å; E635-N637 PolarHBondContact OE1-OD1 3.4Å
636	W	97.7	Very high	96.7	Very high	56 Å²	56	52 Å²	52	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.1	174.3	-72.1	89.5	0	0	0	109.8	E627 Y629 T683 R685 N708	E627-W636 HydrophobicContact CB-CB 4.23Å; E627-W636 HydrophobicContact CB-CE3 3.81Å; E627-W636 WeakPolarHBondContact O-CZ3 3.45Å; Y629-W636 HydrophobicContact CD2-CD2 4.22Å; Y629-W636 AromaticContact CD2-CE2 3.91Å; Y629-W636 HydrophobicContact CD2-CZ2 4.26Å; Y629-W636 AromaticContact CD2-NE1 3.93Å; Y629-W636 HydrophobicContact CG-CZ2 4.36Å; W636-T683 HydrophobicContact CH2-CG2 4.28Å; W636-R685 VanDerWaalsContact CD1-CZ 3.42Å; W636-R685 HydrophobicContact CD2-CG 4.11Å; W636-R685 HydrophobicContact CE3-CB 4.5Å; W636-R685 HydrophobicContact CE3-CG 3.67Å; W636-R685 VanDerWaalsContact CG-CZ 3.4Å; W636-R685 HydrophobicContact CH2-CB 3.87Å; W636-R685 HydrophobicContact CH2-CG 3.84Å; W636-R685 HydrophobicContact CZ2-CG 4.29Å; W636-R685 HydrophobicContact CZ3-CB 3.87Å; W636-R685 HydrophobicContact CZ3-CG 3.53Å; W636-N708 HydrophobicContact CH2-CB 4.39Å; W636-N708 WeakPolarHBondContact CZ2-OD1 3.35Å
637	N	96.1	Very high	96.7	Very high	55 Å²	55	52 Å²	52	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.1	179.2	-71.8	-22.2	0	0	0	110.2	E627 I628 E635 M639	E627-N637 CarbonylContact C-O 3.6Å; E627-N637 VanDerWaalsContact CA-O 3.22Å; E627-N637 WeakPolarHBondContact CA-O 3.36Å; I628-N637 HydrophobicContact CG2-CB 4.12Å; I628-N637 PolarHBondContact N-O 3.01Å; I628-N637 PolarHBondContact O-N 3.39Å; E635-N637 PolarHBondContact OE1-OD1 3.4Å; N637-M639 PolarHBondContact O-N 2.83Å
638	I	96	Very high	96.7	Very high	81 Å²	81	53.8 Å²	53.8	42%	0.415	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.9	176.8	-59.8	169.2	0	0	0	108.3	M263 T625 E627 T641	M263-I638 HydrophobicContact CE-CG2 3.91Å; M263-I638 HydrophobicContact SD-CB 4.44Å; M263-I638 HydrophobicContact SD-CG2 3.91Å; T625-I638 HydrophobicContact CG2-CD1 3.87Å; T625-I638 HydrophobicContact CG2-CG1 3.99Å; T625-I638 HydrophobicContact CG2-CG2 3.87Å; E627-I638 HydrophobicContact CG-CG1 4.17Å; I638-T641 HydrophobicContact CG2-CG2 3.98Å
639	M	95	Very high	96.7	Very high	57 Å²	57	52.5 Å²	52.5	28%	0.281	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-46.1	174.6	-72.5	-64	-62.6	0	0	111.3	V626 I628 N637 I680 Y684	V626-M639 PolarHBondContact O-N 3.03Å; I628-M639 HydrophobicContact CB-CG 3.73Å; I628-M639 HydrophobicContact CB-SD 4.46Å; I628-M639 HydrophobicContact CG2-CG 3.48Å; I628-M639 VanDerWaalsContact CG2-CG 3.48Å; I628-M639 HydrophobicContact CG2-SD 3.72Å; N637-M639 PolarHBondContact O-N 2.83Å; M639-I680 HydrophobicContact CE-CD1 3.78Å; M639-Y684 HydrophobicContact CG-CE1 4.25Å
640	Y	96.6	Very high	96.7	Very high	22 Å²	22	50.3 Å²	50.3	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154	-177.5	-53.2	-68.2	0	0	0	111.4	T625 V626 N644 E646 W670	T625-Y640 CarbonylContact C-O 3.59Å; T625-Y640 WeakPolarHBondContact CA-O 3.44Å; V626-Y640 HydrophobicContact CB-CD2 4.12Å; V626-Y640 HydrophobicContact CG1-CD2 4.2Å; V626-Y640 HydrophobicContact CG2-CD2 4.47Å; V626-Y640 PolarHBondContact N-O 3.49Å; V626-Y640 PolarHBondContact O-N 2.81Å; Y640-N644 HydrophobicContact CD1-CB 3.94Å; Y640-N644 HydrophobicContact CG-CB 4.41Å; Y640-E646 HydrophobicContact CD1-CB 4.28Å; Y640-E646 HydrophobicContact CD1-CG 4.22Å; Y640-E646 HydrophobicContact CE1-CB 4.34Å; Y640-E646 HydrophobicContact CE1-CG 3.81Å; Y640-E646 HydrophobicContact CE2-CG 4.46Å; Y640-E646 HydrophobicContact CG-CB 4.37Å; Y640-W670 AromaticContact CD2-CE2 3.94Å; Y640-W670 HydrophobicContact CD2-CZ2 4.28Å; Y640-W670 AromaticContact CD2-NE1 3.45Å; Y640-W670 AromaticContact CE2-CE2 3.92Å; Y640-W670 AromaticContact CE2-CZ2 3.98Å; Y640-W670 HydrophobicContact CE2-CZ2 3.98Å; Y640-W670 AromaticContact CE2-NE1 3.44Å
641	T	97.4	Very high	96.8	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	179.1	173.8	49.2	0	0	0	0	110.8	M263 T622 L624 T625 I638 A643 N644 T647	M263-T641 HydrophobicContact CE-CG2 3.07Å; T622-T641 HydrophobicContact CG2-CG2 3.98Å; L624-T641 WeakPolarHBondContact O-CA 3.35Å; T625-T641 HydrophobicContact CG2-CG2 3.91Å; I638-T641 HydrophobicContact CG2-CG2 3.98Å; T641-A643 PolarHBondContact O-N 2.87Å; T641-N644 PolarHBondContact N-OD1 3.29Å; T641-N644 VanDerWaalsContact O-CB 3.31Å; T641-N644 WeakPolarHBondContact O-CB 3.2Å; T641-N644 PolarHBondContact O-N 3.31Å; T641-N644 PolarHBondContact O-OD1 2.77Å; T641-N644 PolarHBondContact OG1-OD1 2.93Å; T641-T647 PolarHBondContact O-OG1 3.4Å
642	D	97.7	Very high	96.8	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.9	175.3	70.2	13.5	0	0	0	115.7	L60 R63 T622 Y623 L624	L60-D642 HydrophobicContact CD2-CB 3.74Å; R63-D642 IonicContact CZ-OD1 3.75Å; R63-D642 IonicContact CZ-OD2 3.7Å; R63-D642 IonicContact NE-OD1 3.11Å; R63-D642 PolarHBondContact NE-OD1 2.84Å; R63-D642 IonicContact NE-OD2 2.82Å; R63-D642 PolarHBondContact NE-OD2 3.47Å; R63-D642 IonicContact NH2-OD1 3.29Å; R63-D642 IonicContact NH2-OD2 3.54Å; R63-D642 PolarHBondContact NH2-OD2 2.99Å; T622-D642 VanDerWaalsContact CA-OD2 3.27Å; T622-D642 WeakPolarHBondContact CA-OD2 3.38Å; T622-D642 PolarHBondContact OG1-N 3.44Å; T622-D642 PolarHBondContact OG1-OD1 2.86Å; T622-D642 PolarHBondContact OG1-OD2 2.84Å; Y623-D642 WeakPolarHBondContact CD2-OD2 3.21Å; Y623-D642 PolarHBondContact N-OD2 2.92Å; L624-D642 HydrophobicContact CD2-CB 4.11Å; L624-D642 HydrophobicContact CG-CB 4.1Å
643	A	97	Very high	96.5	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.5	171.7	0	0	0	0	0	113	R63 F65 L264 T641	R63-A643 HydrophobicContact CB-CB 4.09Å; R63-A643 HydrophobicContact CG-CB 3.77Å; F65-A643 HydrophobicContact CZ-CB 4.44Å; L264-A643 HydrophobicContact CB-CB 3.81Å; L264-A643 VanDerWaalsContact CD1-C 3.49Å; L264-A643 HydrophobicContact CD1-CB 3.82Å; L264-A643 WeakPolarHBondContact CD1-O 3.39Å; L264-A643 HydrophobicContact CG-CB 4.44Å; T641-A643 PolarHBondContact O-N 2.87Å
644	N	97.2	Very high	95.7	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-88.6	136.2	-173.7	-71.7	93.1	0	0	0	111.3	L264 Y640 T641 E646 T647	L264-N644 HydrophobicContact CD1-CB 4.38Å; Y640-N644 HydrophobicContact CD1-CB 3.94Å; Y640-N644 HydrophobicContact CG-CB 4.41Å; T641-N644 PolarHBondContact N-OD1 3.29Å; T641-N644 VanDerWaalsContact O-CB 3.31Å; T641-N644 WeakPolarHBondContact O-CB 3.2Å; T641-N644 PolarHBondContact O-N 3.31Å; T641-N644 PolarHBondContact O-OD1 2.77Å; T641-N644 PolarHBondContact OG1-OD1 2.93Å; N644-E646 WeakPolarHBondContact CB-OE2 3.45Å; N644-E646 PolarHBondContact O-N 3.03Å; N644-E646 VanDerWaalsContact O-N 3.11Å; N644-T647 PolarHBondContact O-N 2.99Å; N644-T647 PolarHBondContact O-OG1 2.86Å
645	W	97	Very high	95	Very high	34 Å²	34	35.5 Å²	35.5	13%	0.129	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.6	177.7	177.8	-92.3	0	0	0	113.5	H61 L62 L249 F321 T324 K325 T647 I675	H61-W645 AromaticContact CE1-CE3 3.46Å; H61-W645 VanDerWaalsContact CE1-CE3 3.46Å; H61-W645 AromaticContact CE1-CH2 3.65Å; H61-W645 AromaticContact CE1-CZ3 3.13Å; H61-W645 WeakPolarHBondContact CE1-CZ3 3.44Å; H61-W645 AromaticContact NE2-CD2 3.76Å; H61-W645 AromaticContact NE2-CE3 3.36Å; H61-W645 AromaticContact NE2-CZ3 3.52Å; L62-W645 HydrophobicContact CD1-CE3 4.16Å; L62-W645 HydrophobicContact CD1-CZ3 4.36Å; L62-W645 HydrophobicContact CD2-CB 4.49Å; L62-W645 HydrophobicContact CD2-CE3 4.4Å; L249-W645 HydrophobicContact CD1-CB 4.3Å; L249-W645 HydrophobicContact CD1-CD2 4.21Å; L249-W645 HydrophobicContact CD1-CE3 3.57Å; L249-W645 HydrophobicContact CD1-CZ3 4.27Å; L249-W645 HydrophobicContact CD2-CD2 4.11Å; L249-W645 HydrophobicContact CD2-CE3 3.37Å; L249-W645 HydrophobicContact CD2-CH2 3.92Å; L249-W645 HydrophobicContact CD2-CZ3 3.25Å; L249-W645 HydrophobicContact CG-CE3 4.04Å; L249-W645 HydrophobicContact CG-CZ3 4.26Å; F321-W645 HydrophobicContact CB-CH2 4.2Å; F321-W645 HydrophobicContact CB-CZ2 4.08Å; F321-W645 WeakPolarHBondContact O-CH2 3.36Å; F321-W645 VanDerWaalsContact O-CZ2 3.3Å; F321-W645 WeakPolarHBondContact O-CZ2 3.38Å; T324-W645 HydrophobicContact CG2-CH2 4.2Å; T324-W645 HydrophobicContact CG2-CZ3 4.06Å; K325-W645 HydrophobicContact CB-CH2 4.09Å; K325-W645 HydrophobicContact CB-CZ2 3.8Å; W645-T647 PolarHBondContact O-N 2.89Å; W645-T647 VanDerWaalsContact O-N 3.16Å; W645-I675 HydrophobicContact CB-CB 4.47Å; W645-I675 HydrophobicContact CB-CD1 4.08Å; W645-I675 HydrophobicContact CD2-CD1 3.83Å; W645-I675 HydrophobicContact CE3-CD1 4.47Å; W645-I675 HydrophobicContact CG-CB 4.26Å; W645-I675 HydrophobicContact CG-CD1 3.59Å; W645-I675 HydrophobicContact CG-CG1 4.13Å
646	E	96.9	Very high	94.2	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.033	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.4	-177.1	-64.5	76.5	-168.5	0	0	113.2	Y640 N644 W670 T671 S674 I675	Y640-E646 HydrophobicContact CD1-CB 4.28Å; Y640-E646 HydrophobicContact CD1-CG 4.22Å; Y640-E646 HydrophobicContact CE1-CB 4.34Å; Y640-E646 HydrophobicContact CE1-CG 3.81Å; Y640-E646 HydrophobicContact CE2-CG 4.46Å; Y640-E646 HydrophobicContact CG-CB 4.37Å; N644-E646 WeakPolarHBondContact CB-OE2 3.45Å; N644-E646 PolarHBondContact O-N 3.03Å; N644-E646 VanDerWaalsContact O-N 3.11Å; E646-W670 CarbonylContact O-C 3.49Å; E646-W670 WeakPolarHBondContact O-CA 3.22Å; E646-T671 PolarHBondContact O-N 2.87Å; E646-S674 VanDerWaalsContact OE1-CA 3.25Å; E646-S674 WeakPolarHBondContact OE1-CA 3.2Å; E646-I675 PolarHBondContact OE1-N 2.8Å
647	T	98.3	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147	-173.7	70.8	0	0	0	0	112.4	L624 V626 T641 N644 W645 E669 W670	L624-T647 HydrophobicContact CD1-CG2 3.88Å; V626-T647 HydrophobicContact CG2-CG2 3.94Å; T641-T647 PolarHBondContact O-OG1 3.4Å; N644-T647 PolarHBondContact O-N 2.99Å; N644-T647 PolarHBondContact O-OG1 2.86Å; W645-T647 PolarHBondContact O-N 2.89Å; W645-T647 VanDerWaalsContact O-N 3.16Å; T647-E669 CarbonylContact C-O 3.56Å; T647-E669 VanDerWaalsContact CA-O 3.24Å; T647-E669 WeakPolarHBondContact CA-O 3.49Å; T647-W670 HydrophobicContact CG2-CB 4.46Å
648	K	98.6	Very high	92.7	Very high	50 Å²	50	40.9 Å²	40.9	22%	0.217	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.8	169.4	-56.4	176.4	-172.8	178.1	0	109.1	L241 F321 I668 E669	L241-K648 HydrophobicContact CD1-CB 4.23Å; L241-K648 HydrophobicContact CD1-CD 4.03Å; L241-K648 HydrophobicContact CD1-CG 4.26Å; F321-K648 HydrophobicContact CE1-CD 4.21Å; F321-K648 HydrophobicContact CZ-CD 4.3Å; K648-I668 WeakPolarHBondContact O-CA 3.42Å; K648-E669 HydrophobicContact CB-CB 4.25Å; K648-E669 PolarHBondContact N-O 2.98Å; K648-E669 PolarHBondContact O-N 3.3Å
649	F	98.7	Very high	92.1	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.7	172.8	175.8	-90	0	0	0	108.5	I42 G59 L60 P613 Y623 L624 W651 A666 I668 H688	I42-F649 HydrophobicContact CD1-CD1 3.52Å; I42-F649 HydrophobicContact CD1-CE1 3.58Å; G59-F649 CarbonylContact C-O 3.55Å; G59-F649 WeakPolarHBondContact CA-O 3.38Å; L60-F649 HydrophobicContact CB-CB 4.35Å; L60-F649 PolarHBondContact N-O 2.87Å; L60-F649 PolarHBondContact O-N 3.04Å; P613-F649 HydrophobicContact CG-CE1 3.79Å; P613-F649 HydrophobicContact CG-CZ 4.11Å; Y623-F649 HydrophobicContact CD1-CZ 4.29Å; Y623-F649 HydrophobicContact CG-CE2 4.43Å; Y623-F649 HydrophobicContact CG-CZ 4.43Å; L624-F649 HydrophobicContact CD2-CB 3.91Å; L624-F649 HydrophobicContact CD2-CD2 4.36Å; F649-W651 HydrophobicContact CE1-CB 4.03Å; F649-W651 HydrophobicContact CZ-CB 4.47Å; F649-A666 HydrophobicContact CD2-CB 4.43Å; F649-A666 HydrophobicContact CE2-CB 3.53Å; F649-A666 HydrophobicContact CZ-CB 3.95Å; F649-I668 HydrophobicContact CD2-CG1 4.11Å; F649-H688 AromaticContact CE2-CE1 3.64Å; F649-H688 AromaticContact CE2-ND1 3.92Å
650	T	98.5	Very high	91.5	Very high	25 Å²	25	45.6 Å²	45.6	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.2	173.9	-56.7	0	0	0	0	109.3	A666 I667	T650-A666 CarbonylContact O-C 3.54Å; T650-A666 WeakPolarHBondContact O-CA 3.34Å; T650-I667 PolarHBondContact N-O 2.91Å; T650-I667 PolarHBondContact O-N 2.85Å
651	W	97.6	Very high	91.1	Very high	11 Å²	11	48 Å²	48	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.1	171.7	176.8	90.3	0	0	0	109.9	T43 D44 N58 A611 P613 F649 R653 S664 Y665	T43-W651 HydrophobicContact CG2-CD2 4.49Å; T43-W651 WeakPolarHBondContact OG1-CZ3 3.36Å; D44-W651 WeakPolarHBondContact OD2-CH2 3.34Å; N58-W651 WeakPolarHBondContact O-CA 3.45Å; N58-W651 PolarHBondContact O-N 2.86Å; A611-W651 PolarHBondContact O-NE1 2.95Å; P613-W651 HydrophobicContact CG-CB 4.08Å; P613-W651 HydrophobicContact CG-CG 4.07Å; F649-W651 HydrophobicContact CE1-CB 4.03Å; F649-W651 HydrophobicContact CZ-CB 4.47Å; W651-R653 HydrophobicContact CH2-CG 3.44Å; W651-R653 VanDerWaalsContact CH2-CG 3.44Å; W651-R653 HydrophobicContact CZ2-CG 3.54Å; W651-R653 VanDerWaalsContact CZ2-NE 3.31Å; W651-R653 HydrophobicContact CZ3-CG 4.04Å; W651-S664 PolarHBondContact NE1-OG 3.14Å; W651-Y665 WeakPolarHBondContact CA-O 3.32Å
652	N	94.9	Very high	90.7	Very high	61 Å²	61	47.9 Å²	47.9	33%	0.326	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.1	-178.2	-175	10.9	0	0	0	111.4	D654 S664 Y665	N652-D654 PolarHBondContact ND2-OD1 2.77Å; N652-S664 CarbonylContact O-C 3.5Å; N652-S664 VanDerWaalsContact O-CA 3.25Å; N652-S664 WeakPolarHBondContact O-CA 3.22Å; N652-S664 WeakPolarHBondContact O-CB 3.44Å; N652-Y665 PolarHBondContact N-O 2.92Å; N652-Y665 PolarHBondContact O-N 3.27Å
653	R	87	Confident	90.5	Very high	38 Å²	38	51.5 Å²	51.5	14%	0.143	25%	0.251	C	S	.	.			trans	-107.6	106.9	164.5	-72.8	177.3	164.5	145.7	5.4	107.5	D44 W651 G655	D44-R653 IonicContact OD2-CZ 2.71Å; D44-R653 IonicContact OD2-NH1 3.05Å; D44-R653 PolarHBondContact OD2-NH1 3.33Å; W651-R653 HydrophobicContact CH2-CG 3.44Å; W651-R653 VanDerWaalsContact CH2-CG 3.44Å; W651-R653 HydrophobicContact CZ2-CG 3.54Å; W651-R653 VanDerWaalsContact CZ2-NE 3.31Å; W651-R653 HydrophobicContact CZ3-CG 4.04Å; R653-G655 VanDerWaalsContact C-N 3.27Å; R653-G655 PolarHBondContact O-N 2.82Å
654	D	79.3	Confident	90.5	Very high	91 Å²	91	51.3 Å²	51.3	49%	0.487	25%	0.249	S	C	.	.			trans	-66.2	81.9	-178.4	-84.7	-14.7	0	0	0	112.3	N652 S658 Y665	N652-D654 PolarHBondContact ND2-OD1 2.77Å; D654-S658 WeakPolarHBondContact O-CB 3.48Å; D654-S658 PolarHBondContact O-OG 2.76Å; D654-Y665 HydrophobicContact CB-CD2 4.34Å; D654-Y665 HydrophobicContact CB-CE2 3.95Å; D654-Y665 WeakPolarHBondContact OD2-CD2 3.28Å; D654-Y665 WeakPolarHBondContact OD2-CE2 3.43Å
655	G	80.6	Confident	90.5	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	73.5	-177.7	174.7	0	0	0	0	0	115.5	R653 F657 S658 W659	R653-G655 VanDerWaalsContact C-N 3.27Å; R653-G655 PolarHBondContact O-N 2.82Å; G655-F657 VanDerWaalsContact C-N 3.34Å; G655-F657 PolarHBondContact O-N 3.04Å; G655-S658 PolarHBondContact O-N 2.91Å; G655-W659 PolarHBondContact O-N 3.14Å
656	F	79.4	Confident	90.5	Very high	137 Å²	137	50.9 Å²	50.9	60%	0.601	25%	0.247	S	C	*	.	H	α-helix	trans	-57.9	-40.4	-172.1	178.7	-101.1	0	0	0	113.8	W659 L660	F656-W659 HydrophobicContact CD2-CE3 4.44Å; F656-W659 HydrophobicContact CE2-CE3 4.3Å; F656-W659 HydrophobicContact CE2-CZ3 4.31Å; F656-W659 PolarHBondContact O-N 2.94Å; F656-L660 WeakPolarHBondContact O-CB 3.44Å; F656-L660 PolarHBondContact O-N 2.9Å
657	F	81.4	Confident	90.6	Very high	154 Å²	154	51.4 Å²	51.4	68%	0.675	25%	0.25	S	S	*	.	H	α-helix	trans	-68.7	-40.5	-179.9	-71.2	-74.7	0	0	0	112.4	G655 W659 L660 L661	G655-F657 VanDerWaalsContact C-N 3.34Å; G655-F657 PolarHBondContact O-N 3.04Å; F657-W659 VanDerWaalsContact C-N 3.33Å; F657-L660 PolarHBondContact O-N 3.16Å; F657-L661 WeakPolarHBondContact O-CB 3.24Å; F657-L661 VanDerWaalsContact O-CG 3.24Å; F657-L661 WeakPolarHBondContact O-CG 3.25Å; F657-L661 PolarHBondContact O-N 2.9Å
658	S	81.7	Confident	90.6	Very high	15 Å²	15	51.4 Å²	51.4	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175.5	-60.7	0	0	0	0	110.8	D654 G655 L661 G662 R663	D654-S658 WeakPolarHBondContact O-CB 3.48Å; D654-S658 PolarHBondContact O-OG 2.76Å; G655-S658 PolarHBondContact O-N 2.91Å; S658-L661 PolarHBondContact O-N 2.79Å; S658-G662 PolarHBondContact O-N 2.55Å; S658-R663 PolarHBondContact O-N 2.83Å
659	W	83.2	Confident	90.6	Very high	143 Å²	143	51.8 Å²	51.8	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-50	172.8	177.8	89.9	0	0	0	112.4	G655 F656 F657 L661 G662	G655-W659 PolarHBondContact O-N 3.14Å; F656-W659 HydrophobicContact CD2-CE3 4.44Å; F656-W659 HydrophobicContact CE2-CE3 4.3Å; F656-W659 HydrophobicContact CE2-CZ3 4.31Å; F656-W659 PolarHBondContact O-N 2.94Å; F657-W659 VanDerWaalsContact C-N 3.33Å; W659-L661 VanDerWaalsContact C-N 3.3Å; W659-L661 PolarHBondContact O-N 3.1Å; W659-G662 PolarHBondContact O-N 2.75Å; W659-G662 VanDerWaalsContact O-N 3.12Å
660	L	82.5	Confident	90.6	Very high	94 Å²	94	51.8 Å²	51.8	49%	0.492	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-36.9	-179.4	-171.2	75	0	0	0	112.4	F656 F657 G662	F656-L660 WeakPolarHBondContact O-CB 3.44Å; F656-L660 PolarHBondContact O-N 2.9Å; F657-L660 PolarHBondContact O-N 3.16Å; L660-G662 VanDerWaalsContact C-N 3.33Å
661	L	87.4	Confident	90.6	Very high	73 Å²	73	53.1 Å²	53.1	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-84.7	-4.5	179.3	-63.8	174.6	0	0	0	113.1	T579 F657 S658 W659 R663	T579-L661 WeakPolarHBondContact CB-O 3.35Å; T579-L661 VanDerWaalsContact CG2-O 3.31Å; T579-L661 WeakPolarHBondContact CG2-O 3.41Å; T579-L661 PolarHBondContact OG1-O 3.45Å; F657-L661 WeakPolarHBondContact O-CB 3.24Å; F657-L661 VanDerWaalsContact O-CG 3.24Å; F657-L661 WeakPolarHBondContact O-CG 3.25Å; F657-L661 PolarHBondContact O-N 2.9Å; S658-L661 PolarHBondContact O-N 2.79Å; W659-L661 VanDerWaalsContact C-N 3.3Å; W659-L661 PolarHBondContact O-N 3.1Å; L661-R663 VanDerWaalsContact C-N 3.31Å; L661-R663 HydrophobicContact CB-CG 4.09Å; L661-R663 PolarHBondContact O-N 2.69Å
662	G	89.8	Confident	90.5	Very high	4 Å²	4	52.8 Å²	52.8	4%	0.041	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	28.7	-175	0	0	0	0	0	113.8	D578 T579 S658 W659 L660	D578-G662 CarbonylContact C-O 3.54Å; D578-G662 VanDerWaalsContact CA-O 3.3Å; D578-G662 WeakPolarHBondContact CA-O 3.25Å; T579-G662 PolarHBondContact N-O 2.83Å; S658-G662 PolarHBondContact O-N 2.55Å; W659-G662 PolarHBondContact O-N 2.75Å; W659-G662 VanDerWaalsContact O-N 3.12Å; L660-G662 VanDerWaalsContact C-N 3.33Å
663	R	94	Very high	90.4	Very high	78 Å²	78	50.3 Å²	50.3	29%	0.294	25%	0.248	S	C	.	.			trans	-91.7	139	176.5	-65.6	178.2	179	173.2	0.9	110.6	T579 S658 L661	T579-R663 WeakPolarHBondContact OG1-CG 3.48Å; S658-R663 PolarHBondContact O-N 2.83Å; L661-R663 VanDerWaalsContact C-N 3.31Å; L661-R663 HydrophobicContact CB-CG 4.09Å; L661-R663 PolarHBondContact O-N 2.69Å
664	S	96.2	Very high	90.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.1	177.4	54.3	0	0	0	0	112.9	T610 A611 W651 N652	T610-S664 PolarHBondContact N-O 2.78Å; T610-S664 VanDerWaalsContact O-O 3.06Å; T610-S664 PolarHBondContact O-OG 3.35Å; A611-S664 WeakPolarHBondContact CA-OG 3.4Å; W651-S664 PolarHBondContact NE1-OG 3.14Å; N652-S664 CarbonylContact O-C 3.5Å; N652-S664 VanDerWaalsContact O-CA 3.25Å; N652-S664 WeakPolarHBondContact O-CA 3.22Å; N652-S664 WeakPolarHBondContact O-CB 3.44Å
665	Y	96.9	Very high	91.3	Very high	36 Å²	36	45.5 Å²	45.5	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.1	179.5	-53.7	-69.7	0	0	0	110.9	I590 F608 V609 W651 N652 D654	I590-Y665 HydrophobicContact CD1-CD1 3.24Å; I590-Y665 HydrophobicContact CD1-CE1 3.11Å; I590-Y665 HydrophobicContact CD1-CG 4.43Å; F608-Y665 CarbonylContact O-C 3.59Å; F608-Y665 VanDerWaalsContact O-CA 3.23Å; F608-Y665 WeakPolarHBondContact O-CA 3.46Å; V609-Y665 HydrophobicContact CG2-CE1 4.39Å; W651-Y665 WeakPolarHBondContact CA-O 3.32Å; N652-Y665 PolarHBondContact N-O 2.92Å; N652-Y665 PolarHBondContact O-N 3.27Å; D654-Y665 HydrophobicContact CB-CD2 4.34Å; D654-Y665 HydrophobicContact CB-CE2 3.95Å; D654-Y665 WeakPolarHBondContact OD2-CD2 3.28Å; D654-Y665 WeakPolarHBondContact OD2-CE2 3.43Å
666	A	98.2	Very high	91.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.2	167.3	0	0	0	0	0	108.1	Y607 F608 T610 F649 T650	Y607-A666 CarbonylContact C-O 3.6Å; Y607-A666 WeakPolarHBondContact CA-O 3.06Å; F608-A666 HydrophobicContact CB-CB 4.36Å; F608-A666 PolarHBondContact N-O 3.04Å; F608-A666 PolarHBondContact O-N 3.41Å; T610-A666 HydrophobicContact CG2-CB 3.76Å; T610-A666 VanDerWaalsContact CG2-N 3.26Å; F649-A666 HydrophobicContact CD2-CB 4.43Å; F649-A666 HydrophobicContact CE2-CB 3.53Å; F649-A666 HydrophobicContact CZ-CB 3.95Å; T650-A666 CarbonylContact O-C 3.54Å; T650-A666 WeakPolarHBondContact O-CA 3.34Å
667	I	98.4	Very high	92.3	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.2	172.3	-50.3	174.5	0	0	0	106	E605 V606 Y607 T650	E605-I667 HydrophobicContact CG-CG2 4.03Å; V606-I667 WeakPolarHBondContact O-CA 3.33Å; Y607-I667 HydrophobicContact CD1-CD1 4.3Å; Y607-I667 HydrophobicContact CD1-CG1 3.79Å; Y607-I667 HydrophobicContact CD2-CG2 4.22Å; Y607-I667 HydrophobicContact CE1-CD1 3.58Å; Y607-I667 HydrophobicContact CE1-CG1 3.54Å; Y607-I667 HydrophobicContact CE1-CG2 4.36Å; Y607-I667 HydrophobicContact CE2-CG1 4.37Å; Y607-I667 HydrophobicContact CE2-CG2 3.7Å; Y607-I667 HydrophobicContact CG-CG1 4.3Å; T650-I667 PolarHBondContact N-O 2.91Å; T650-I667 PolarHBondContact O-N 2.85Å
668	I	98.8	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.7	176.7	-66.2	164.7	0	0	0	107.6	E605 V606 F608 L624 K648 F649 I686 H688	E605-I668 WeakPolarHBondContact CA-O 3.3Å; V606-I668 HydrophobicContact CG2-CB 3.87Å; V606-I668 HydrophobicContact CG2-CG2 4.39Å; V606-I668 PolarHBondContact N-O 2.71Å; V606-I668 PolarHBondContact O-N 2.72Å; F608-I668 HydrophobicContact CD2-CD1 4.02Å; F608-I668 HydrophobicContact CE2-CD1 3.84Å; L624-I668 HydrophobicContact CB-CD1 3.64Å; L624-I668 HydrophobicContact CB-CG1 4.23Å; L624-I668 HydrophobicContact CB-CG2 4.44Å; L624-I668 HydrophobicContact CD1-CG2 4.32Å; L624-I668 HydrophobicContact CD2-CD1 4.37Å; L624-I668 HydrophobicContact CD2-CG1 4.01Å; L624-I668 HydrophobicContact CD2-CG2 3.91Å; L624-I668 HydrophobicContact CG-CG2 4.46Å; K648-I668 WeakPolarHBondContact O-CA 3.42Å; F649-I668 HydrophobicContact CD2-CG1 4.11Å; I668-I686 HydrophobicContact CB-CG2 4.41Å; I668-I686 HydrophobicContact CD1-CG2 4.01Å; I668-I686 HydrophobicContact CG2-CD1 4.36Å; I668-I686 HydrophobicContact CG2-CG2 3.9Å; I668-H688 HydrophobicContact CD1-CB 3.87Å
669	E	98.6	Very high	93.4	Very high	58 Å²	58	41.4 Å²	41.4	27%	0.271	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.4	173	-63	177.5	110.5	0	0	109.1	T603 V604 E605 T647 K648	T603-E669 HydrophobicContact CG2-CB 4.18Å; V604-E669 CarbonylContact O-C 3.51Å; V604-E669 VanDerWaalsContact O-CA 3.28Å; V604-E669 WeakPolarHBondContact O-CA 3.12Å; E605-E669 HydrophobicContact CG-CG 4.07Å; T647-E669 CarbonylContact C-O 3.56Å; T647-E669 VanDerWaalsContact CA-O 3.24Å; T647-E669 WeakPolarHBondContact CA-O 3.49Å; K648-E669 HydrophobicContact CB-CB 4.25Å; K648-E669 PolarHBondContact N-O 2.98Å; K648-E669 PolarHBondContact O-N 3.3Å
670	W	98.4	Very high	93.9	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.5	172.2	168.6	39.5	0	0	0	110	T603 V604 V626 Y640 E646 T647 Y684 F709 V711	T603-W670 CarbonylContact C-O 3.56Å; T603-W670 WeakPolarHBondContact CA-O 3.18Å; V604-W670 HydrophobicContact CB-CB 4.33Å; V604-W670 HydrophobicContact CB-CE3 4.19Å; V604-W670 HydrophobicContact CG2-CD2 4.41Å; V604-W670 HydrophobicContact CG2-CE3 3.72Å; V604-W670 HydrophobicContact CG2-CZ3 4.2Å; V604-W670 PolarHBondContact N-O 3.24Å; V604-W670 PolarHBondContact O-N 3.32Å; V626-W670 HydrophobicContact CB-CD2 4.4Å; V626-W670 HydrophobicContact CB-CE3 4.5Å; V626-W670 HydrophobicContact CG1-CD2 3.66Å; V626-W670 HydrophobicContact CG1-CE3 3.49Å; V626-W670 VanDerWaalsContact CG1-CE3 3.49Å; V626-W670 HydrophobicContact CG1-CG 4.44Å; V626-W670 HydrophobicContact CG1-CH2 3.77Å; V626-W670 HydrophobicContact CG1-CZ2 3.92Å; V626-W670 HydrophobicContact CG1-CZ3 3.52Å; V626-W670 HydrophobicContact CG2-CB 4.08Å; V626-W670 HydrophobicContact CG2-CD2 3.88Å; V626-W670 HydrophobicContact CG2-CE3 4.17Å; V626-W670 HydrophobicContact CG2-CG 3.79Å; Y640-W670 AromaticContact CD2-CE2 3.94Å; Y640-W670 HydrophobicContact CD2-CZ2 4.28Å; Y640-W670 AromaticContact CD2-NE1 3.45Å; Y640-W670 AromaticContact CE2-CE2 3.92Å; Y640-W670 AromaticContact CE2-CZ2 3.98Å; Y640-W670 HydrophobicContact CE2-CZ2 3.98Å; Y640-W670 AromaticContact CE2-NE1 3.44Å; E646-W670 CarbonylContact O-C 3.49Å; E646-W670 WeakPolarHBondContact O-CA 3.22Å; T647-W670 HydrophobicContact CG2-CB 4.46Å; W670-Y684 AromaticContact CH2-CD1 3.38Å; W670-Y684 HydrophobicContact CH2-CD1 3.38Å; W670-Y684 AromaticContact CH2-CD2 3.97Å; W670-Y684 HydrophobicContact CH2-CD2 3.97Å; W670-Y684 AromaticContact CH2-CE1 3.5Å; W670-Y684 HydrophobicContact CH2-CE1 3.5Å; W670-Y684 VanDerWaalsContact CH2-CE1 3.5Å; W670-Y684 HydrophobicContact CH2-CE2 4.09Å; W670-Y684 AromaticContact CH2-CG 3.61Å; W670-Y684 HydrophobicContact CH2-CG 3.61Å; W670-Y684 AromaticContact CH2-CZ 3.85Å; W670-Y684 HydrophobicContact CZ2-CD1 4.32Å; W670-Y684 HydrophobicContact CZ2-CE1 4.09Å; W670-Y684 AromaticContact CZ3-CD1 3.8Å; W670-Y684 HydrophobicContact CZ3-CD1 3.8Å; W670-Y684 HydrophobicContact CZ3-CD2 4.38Å; W670-Y684 HydrophobicContact CZ3-CE1 4.37Å; W670-Y684 AromaticContact CZ3-CG 3.78Å; W670-Y684 HydrophobicContact CZ3-CG 3.78Å; W670-F709 HydrophobicContact CE3-CE2 4.19Å; W670-F709 AromaticContact CE3-CZ 4Å; W670-F709 HydrophobicContact CE3-CZ 4Å; W670-F709 AromaticContact CZ3-CE2 3.63Å; W670-F709 HydrophobicContact CZ3-CE2 3.63Å; W670-F709 AromaticContact CZ3-CZ 3.71Å; W670-F709 HydrophobicContact CZ3-CZ 3.71Å; W670-V711 HydrophobicContact CH2-CG2 4.23Å
671	T	97.3	Very high	94.6	Very high	53 Å²	53	37.3 Å²	37.3	33%	0.325	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.5	168.5	-57.9	0	0	0	0	109.3	E646 S673	E646-T671 PolarHBondContact O-N 2.87Å; T671-S673 VanDerWaalsContact C-N 3.27Å; T671-S673 PolarHBondContact O-N 2.86Å; T671-S673 VanDerWaalsContact O-O 3.14Å
672	V	96.5	Very high	95	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	20%	0.198	C	C	.	.	S	Bend	trans	-58.8	-36.2	-169.7	168.1	0	0	0	0	113.4	D602 V604 C679 V711	D602-V672 HydrophobicContact CB-CG2 4.25Å; D602-V672 WeakPolarHBondContact O-CG2 3.42Å; D602-V672 PolarHBondContact O-N 2.76Å; V604-V672 HydrophobicContact CG2-CG2 3.97Å; V672-C679 WeakPolarHBondContact CG1-SG 3.22Å; V672-V711 HydrophobicContact CG1-CB 4.41Å; V672-V711 HydrophobicContact CG1-CG1 3.36Å; V672-V711 HydrophobicContact CG1-CG2 4.15Å; V672-V711 HydrophobicContact CG2-CG2 4.3Å
673	S	93.5	Very high	95.4	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.063	21%	0.206	C	C	.	.	S	Bend	trans	-82.8	143.9	174.4	48.5	0	0	0	0	112	K600 T671 I678	K600-S673 WeakPolarHBondContact O-CB 3.28Å; K600-S673 PolarHBondContact O-N 2.79Å; K600-S673 PolarHBondContact O-OG 2.85Å; T671-S673 VanDerWaalsContact C-N 3.27Å; T671-S673 PolarHBondContact O-N 2.86Å; T671-S673 VanDerWaalsContact O-O 3.14Å; S673-I678 WeakPolarHBondContact CA-O 3.41Å
674	S	92.8	Very high	95.6	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.133	19%	0.192	C	C	.	.			trans	-59.2	165.3	165.5	60.3	0	0	0	0	111.5	E646 D676 G677 I678	E646-S674 VanDerWaalsContact OE1-CA 3.25Å; E646-S674 WeakPolarHBondContact OE1-CA 3.2Å; S674-D676 PolarHBondContact O-N 2.93Å; S674-D676 VanDerWaalsContact O-N 3.1Å; S674-G677 WeakPolarHBondContact O-CA 3.34Å; S674-G677 PolarHBondContact O-N 2.98Å; S674-I678 PolarHBondContact N-O 3.3Å; S674-I678 WeakPolarHBondContact OG-CB 3.42Å; S674-I678 PolarHBondContact OG-N 3.4Å; S674-I678 VanDerWaalsContact OG-N 3.09Å; S674-I678 PolarHBondContact OG-O 2.97Å
675	I	92	Very high	95.7	Very high	8 Å²	8	35 Å²	35	4%	0.041	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29	174	-168.3	166.2	0	0	0	113.2	L249 L253 K325 Y329 W645 E646 G677	L249-I675 HydrophobicContact CD1-CD1 3.99Å; L249-I675 HydrophobicContact CD2-CD1 4.07Å; L249-I675 HydrophobicContact CG-CD1 4.4Å; L253-I675 HydrophobicContact CD2-CD1 3.95Å; L253-I675 HydrophobicContact CD2-CG2 3.79Å; K325-I675 HydrophobicContact CD-CD1 4.36Å; K325-I675 HydrophobicContact CD-CG1 3.97Å; K325-I675 WeakPolarHBondContact CE-O 3.35Å; K325-I675 HydrophobicContact CG-CD1 4.1Å; K325-I675 HydrophobicContact CG-CG1 4.21Å; K325-I675 PolarHBondContact NZ-O 3.44Å; Y329-I675 HydrophobicContact CE2-CD1 4.03Å; Y329-I675 HydrophobicContact CE2-CG1 3.89Å; W645-I675 HydrophobicContact CB-CB 4.47Å; W645-I675 HydrophobicContact CB-CD1 4.08Å; W645-I675 HydrophobicContact CD2-CD1 3.83Å; W645-I675 HydrophobicContact CE3-CD1 4.47Å; W645-I675 HydrophobicContact CG-CB 4.26Å; W645-I675 HydrophobicContact CG-CD1 3.59Å; W645-I675 HydrophobicContact CG-CG1 4.13Å; E646-I675 PolarHBondContact OE1-N 2.8Å; I675-G677 VanDerWaalsContact C-N 3.29Å; I675-G677 PolarHBondContact O-N 2.99Å
676	D	89.2	Confident	95.8	Very high	109 Å²	109	33.3 Å²	33.3	58%	0.583	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	3	174.5	-68.8	-50.9	0	0	0	114	Y329 S674 I678	Y329-D676 PolarHBondContact OH-OD1 2.84Å; S674-D676 PolarHBondContact O-N 2.93Å; S674-D676 VanDerWaalsContact O-N 3.1Å; D676-I678 VanDerWaalsContact C-N 3.33Å; D676-I678 HydrophobicContact CB-CD1 4.42Å; D676-I678 HydrophobicContact CB-CG1 4.39Å
677	G	91.1	Very high	95.9	Very high	36 Å²	36	35.8 Å²	35.8	37%	0.371	21%	0.205	S	C	.	.	S	Bend	trans	81.3	7.5	179.8	0	0	0	0	0	114.7	S674 I675	S674-G677 WeakPolarHBondContact O-CA 3.34Å; S674-G677 PolarHBondContact O-N 2.98Å; I675-G677 VanDerWaalsContact C-N 3.29Å; I675-G677 PolarHBondContact O-N 2.99Å
678	I	92.2	Very high	95.9	Very high	100 Å²	100	34.9 Å²	34.9	51%	0.513	20%	0.201	S	C	.	.			trans	-77.9	126.2	177.4	-54.9	171	0	0	0	109.3	S673 S674 D676 I680	S673-I678 WeakPolarHBondContact CA-O 3.41Å; S674-I678 PolarHBondContact N-O 3.3Å; S674-I678 WeakPolarHBondContact OG-CB 3.42Å; S674-I678 PolarHBondContact OG-N 3.4Å; S674-I678 VanDerWaalsContact OG-N 3.09Å; S674-I678 PolarHBondContact OG-O 2.97Å; D676-I678 VanDerWaalsContact C-N 3.33Å; D676-I678 HydrophobicContact CB-CD1 4.42Å; D676-I678 HydrophobicContact CB-CG1 4.39Å; I678-I680 HydrophobicContact CG2-CG1 4.3Å
679	C	94.3	Very high	95.9	Very high	25 Å²	25	37.2 Å²	37.2	17%	0.169	21%	0.211	C	C	.	.			trans	-111.7	127.6	174	-177	0	0	0	0	109.2	K600 V672 C713	K600-C679 HydrophobicContact CB-CB 3.89Å; V672-C679 WeakPolarHBondContact CG1-SG 3.22Å; C679-C713 HydrophobicContact CB-CB 3.72Å; C679-C713 WeakPolarHBondContact CB-SG 3.46Å; C679-C713 PolarHBondContact O-SG 2.78Å; C679-C713 VanDerWaalsContact SG-CA 3.57Å; C679-C713 WeakPolarHBondContact SG-CB 3.19Å; C679-C713 CovalentContact SG-SG 2.03Å; C679-C713 PolarHBondContact SG-SG 2.84Å
680	I	94.4	Very high	95.9	Very high	71 Å²	71	34.7 Å²	34.7	36%	0.364	20%	0.2	S	C	.	.			trans	-108.2	113.9	-179.3	-61	171	0	0	0	108.9	I628 M639 I678 Y684 C713	I628-I680 HydrophobicContact CD1-CG2 4.1Å; M639-I680 HydrophobicContact CE-CD1 3.78Å; I678-I680 HydrophobicContact CG2-CG1 4.3Å; I680-Y684 WeakPolarHBondContact O-CE2 3.46Å; I680-Y684 PolarHBondContact O-OH 3.09Å; I680-C713 VanDerWaalsContact C-SG 3.53Å; I680-C713 PolarHBondContact N-SG 2.81Å
681	P	95.8	Very high	95.9	Very high	80 Å²	80	35 Å²	35	52%	0.519	20%	0.202	S	C	.	.			trans	-68.2	142.1	177.2	28.4	-33.7	0	0	0	110.3	V711	P681-V711 CarbonylContact C-O 3.57Å; P681-V711 WeakPolarHBondContact CA-O 3.41Å; P681-V711 WeakPolarHBondContact CB-O 3.47Å
682	G	96.8	Very high	95.9	Very high	19 Å²	19	33 Å²	33	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	177.7	-175.3	0	0	0	0	0	113.5	Y684 T710 V711	G682-Y684 WeakPolarHBondContact O-CD2 3.48Å; G682-T710 CarbonylContact O-C 3.55Å; G682-T710 WeakPolarHBondContact O-CA 3.19Å; G682-V711 PolarHBondContact N-O 2.89Å; G682-V711 PolarHBondContact O-N 3.2Å
683	T	98.2	Very high	95.9	Very high	33 Å²	33	35.3 Å²	35.3	20%	0.202	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.9	171.1	-57.9	0	0	0	0	108.6	Y629 W636 N708 F709	Y629-T683 PolarHBondContact N-O 2.94Å; W636-T683 HydrophobicContact CH2-CG2 4.28Å; T683-N708 HydrophobicContact CG2-CB 3.96Å; T683-F709 CarbonylContact C-O 3.56Å; T683-F709 WeakPolarHBondContact CA-O 3.25Å
684	Y	98.6	Very high	95.9	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.6	-174.4	-67.9	-93.3	0	0	0	111.6	V626 E627 I628 M639 W670 I680 G682 N708 F709 V711	V626-Y684 HydrophobicContact CG1-CD1 3.98Å; E627-Y684 CarbonylContact O-C 3.58Å; E627-Y684 WeakPolarHBondContact O-CA 3.32Å; I628-Y684 HydrophobicContact CB-CD1 3.9Å; I628-Y684 HydrophobicContact CB-CE1 3.61Å; I628-Y684 HydrophobicContact CD1-CE1 3.96Å; I628-Y684 HydrophobicContact CD1-CE2 4.24Å; I628-Y684 WeakPolarHBondContact CD1-OH 3.35Å; I628-Y684 HydrophobicContact CG1-CD1 4.14Å; I628-Y684 HydrophobicContact CG1-CE1 3.74Å; I628-Y684 HydrophobicContact CG1-CE2 4.23Å; M639-Y684 HydrophobicContact CG-CE1 4.25Å; W670-Y684 AromaticContact CH2-CD1 3.38Å; W670-Y684 HydrophobicContact CH2-CD1 3.38Å; W670-Y684 AromaticContact CH2-CD2 3.97Å; W670-Y684 HydrophobicContact CH2-CD2 3.97Å; W670-Y684 AromaticContact CH2-CE1 3.5Å; W670-Y684 HydrophobicContact CH2-CE1 3.5Å; W670-Y684 VanDerWaalsContact CH2-CE1 3.5Å; W670-Y684 HydrophobicContact CH2-CE2 4.09Å; W670-Y684 AromaticContact CH2-CG 3.61Å; W670-Y684 HydrophobicContact CH2-CG 3.61Å; W670-Y684 AromaticContact CH2-CZ 3.85Å; W670-Y684 HydrophobicContact CZ2-CD1 4.32Å; W670-Y684 HydrophobicContact CZ2-CE1 4.09Å; W670-Y684 AromaticContact CZ3-CD1 3.8Å; W670-Y684 HydrophobicContact CZ3-CD1 3.8Å; W670-Y684 HydrophobicContact CZ3-CD2 4.38Å; W670-Y684 HydrophobicContact CZ3-CE1 4.37Å; W670-Y684 AromaticContact CZ3-CG 3.78Å; W670-Y684 HydrophobicContact CZ3-CG 3.78Å; I680-Y684 WeakPolarHBondContact O-CE2 3.46Å; I680-Y684 PolarHBondContact O-OH 3.09Å; G682-Y684 WeakPolarHBondContact O-CD2 3.48Å; Y684-N708 WeakPolarHBondContact O-CA 3.4Å; Y684-F709 PolarHBondContact N-O 3.17Å; Y684-F709 WeakPolarHBondContact O-CD1 3.47Å; Y684-F709 PolarHBondContact O-N 2.87Å; Y684-V711 HydrophobicContact CD2-CB 4.03Å; Y684-V711 HydrophobicContact CD2-CG2 3.64Å; Y684-V711 HydrophobicContact CE2-CB 3.8Å; Y684-V711 HydrophobicContact CE2-CG2 3.8Å
685	R	98.6	Very high	95.9	Very high	53 Å²	53	42.8 Å²	42.8	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.4	163.3	72.8	-174.1	-174.4	-176.3	-5	109.7	E627 W636 V705	E627-R685 HydrophobicContact CB-CG 4.08Å; E627-R685 PolarHBondContact N-O 2.81Å; E627-R685 PolarHBondContact O-N 3.45Å; E627-R685 IonicContact OE2-CZ 3.62Å; E627-R685 IonicContact OE2-NE 3.99Å; E627-R685 PolarHBondContact OE2-NE 2.55Å; E627-R685 IonicContact OE2-NH2 3.99Å; E627-R685 PolarHBondContact OE2-NH2 3.35Å; W636-R685 VanDerWaalsContact CD1-CZ 3.42Å; W636-R685 HydrophobicContact CD2-CG 4.11Å; W636-R685 HydrophobicContact CE3-CB 4.5Å; W636-R685 HydrophobicContact CE3-CG 3.67Å; W636-R685 VanDerWaalsContact CG-CZ 3.4Å; W636-R685 HydrophobicContact CH2-CB 3.87Å; W636-R685 HydrophobicContact CH2-CG 3.84Å; W636-R685 HydrophobicContact CZ2-CG 4.29Å; W636-R685 HydrophobicContact CZ3-CB 3.87Å; W636-R685 HydrophobicContact CZ3-CG 3.53Å; R685-V705 HydrophobicContact CB-CG1 4.47Å; R685-V705 HydrophobicContact CG-CG1 4.22Å
686	I	98.8	Very high	95.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.4	172.1	-63.8	173.6	0	0	0	108.4	V604 V606 F608 T625 V626 I668 T706 F709	V604-I686 HydrophobicContact CB-CD1 4.37Å; V604-I686 HydrophobicContact CG1-CD1 3.71Å; V606-I686 HydrophobicContact CG1-CD1 4.26Å; V606-I686 HydrophobicContact CG2-CB 4.22Å; V606-I686 HydrophobicContact CG2-CD1 3.79Å; V606-I686 HydrophobicContact CG2-CG2 3.95Å; F608-I686 HydrophobicContact CE2-CG2 4.26Å; F608-I686 HydrophobicContact CZ-CG2 4.47Å; T625-I686 WeakPolarHBondContact O-CA 3.28Å; V626-I686 HydrophobicContact CG2-CG1 4.38Å; I668-I686 HydrophobicContact CB-CG2 4.41Å; I668-I686 HydrophobicContact CD1-CG2 4.01Å; I668-I686 HydrophobicContact CG2-CD1 4.36Å; I668-I686 HydrophobicContact CG2-CG2 3.9Å; I686-T706 HydrophobicContact CB-CG2 3.9Å; I686-T706 PolarHBondContact N-OG1 3.36Å; I686-T706 WeakPolarHBondContact O-CG2 3.42Å; I686-T706 PolarHBondContact O-N 2.98Å; I686-T706 PolarHBondContact O-OG1 2.51Å; I686-F709 HydrophobicContact CD1-CZ 4.37Å; I686-F709 HydrophobicContact CG1-CE1 4.25Å; I686-F709 HydrophobicContact CG1-CZ 4.23Å
687	K	98.7	Very high	96.1	Very high	51 Å²	51	47.8 Å²	47.8	22%	0.222	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.9	173.9	177.6	173.3	-172.4	-173.3	0	109.7	L624 T625 F689 G704 V705	L624-K687 CarbonylContact C-O 3.38Å; L624-K687 WeakPolarHBondContact CA-O 3.4Å; T625-K687 PolarHBondContact N-O 2.91Å; T625-K687 PolarHBondContact O-N 3.49Å; T625-K687 WeakPolarHBondContact OG1-CB 3.42Å; K687-F689 HydrophobicContact CD-CE1 3.95Å; K687-F689 HydrophobicContact CD-CE2 4.31Å; K687-F689 HydrophobicContact CD-CZ 3.55Å; K687-F689 VanDerWaalsContact CE-CE1 3.45Å; K687-F689 HydrophobicContact CG-CE1 4.15Å; K687-F689 HydrophobicContact CG-CE2 3.98Å; K687-F689 HydrophobicContact CG-CZ 3.69Å; K687-G704 CarbonylContact C-O 3.47Å; K687-G704 VanDerWaalsContact CA-O 3.26Å; K687-G704 WeakPolarHBondContact CA-O 3.43Å; K687-G704 WeakPolarHBondContact CG-O 3.39Å; K687-V705 HydrophobicContact CB-CG2 4.24Å; K687-V705 HydrophobicContact CD-CG2 4.01Å; K687-V705 HydrophobicContact CG-CG2 3.89Å
688	H	98.8	Very high	96.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143	178.9	173.4	47.1	0	0	0	110.2	F608 T610 Y623 F649 I668 F702 S703 G704	F608-H688 HydrophobicContact CB-CB 4.48Å; F608-H688 HydrophobicContact CD1-CB 3.9Å; F608-H688 HydrophobicContact CD2-CB 3.8Å; F608-H688 HydrophobicContact CE1-CB 3.93Å; F608-H688 HydrophobicContact CE2-CB 3.84Å; F608-H688 HydrophobicContact CG-CB 3.81Å; F608-H688 HydrophobicContact CZ-CB 3.89Å; T610-H688 WeakPolarHBondContact CB-NE2 3.29Å; T610-H688 PolarHBondContact OG1-NE2 2.73Å; Y623-H688 WeakPolarHBondContact O-CA 3.25Å; Y623-H688 PolarHBondContact O-ND1 3.44Å; F649-H688 AromaticContact CE2-CE1 3.64Å; F649-H688 AromaticContact CE2-ND1 3.92Å; I668-H688 HydrophobicContact CD1-CB 3.87Å; H688-F702 AromaticContact NE2-CE2 3.95Å; H688-S703 CarbonylContact O-C 3.49Å; H688-S703 WeakPolarHBondContact O-CA 3.34Å; H688-S703 WeakPolarHBondContact O-CB 3.1Å; H688-G704 PolarHBondContact N-O 3.36Å; H688-G704 PolarHBondContact O-N 2.85Å
689	F	98.7	Very high	96.5	Very high	50 Å²	50	55.5 Å²	55.5	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.4	177	-52.3	-90.6	0	0	0	110.3	F618 T622 Y623 T625 K687	F618-F689 HydrophobicContact CE1-CB 4.42Å; F618-F689 HydrophobicContact CZ-CB 4.35Å; T622-F689 HydrophobicContact CG2-CD2 4.18Å; T622-F689 HydrophobicContact CG2-CE2 4.13Å; Y623-F689 PolarHBondContact O-N 3.31Å; T625-F689 HydrophobicContact CG2-CE2 3.96Å; T625-F689 HydrophobicContact CG2-CZ 4.46Å; K687-F689 HydrophobicContact CD-CE1 3.95Å; K687-F689 HydrophobicContact CD-CE2 4.31Å; K687-F689 HydrophobicContact CD-CZ 3.55Å; K687-F689 VanDerWaalsContact CE-CE1 3.45Å; K687-F689 HydrophobicContact CG-CE1 4.15Å; K687-F689 HydrophobicContact CG-CE2 3.98Å; K687-F689 HydrophobicContact CG-CZ 3.69Å
690	G	98.3	Very high	96.7	Very high	4 Å²	4	57.4 Å²	57.4	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	169.9	179.7	0	0	0	0	0	113.4	H701 F702	G690-H701 WeakPolarHBondContact O-CA 3.16Å; G690-F702 VanDerWaalsContact C-CE1 3.43Å; G690-F702 PolarHBondContact N-O 3.27Å; G690-F702 VanDerWaalsContact N-O 3.09Å; G690-F702 PolarHBondContact O-N 2.87Å
691	T	98.3	Very high	96.9	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.2	176.4	-53.5	0	0	0	0	109	A611 N615 N616 K699 H701	A611-T691 WeakPolarHBondContact CB-O 3.38Å; N615-T691 HydrophobicContact CB-CG2 4.28Å; N615-T691 WeakPolarHBondContact CB-O 3.21Å; N615-T691 PolarHBondContact ND2-O 3.26Å; N616-T691 HydrophobicContact CB-CG2 4.28Å; N616-T691 VanDerWaalsContact CB-OG1 3.29Å; N616-T691 WeakPolarHBondContact CB-OG1 3.48Å; N616-T691 PolarHBondContact ND2-OG1 2.83Å; T691-K699 HydrophobicContact CG2-CB 3.84Å; T691-K699 HydrophobicContact CG2-CD 4.37Å; T691-K699 HydrophobicContact CG2-CG 4.34Å; T691-H701 PolarHBondContact OG1-CE1 2.86Å; T691-H701 VanDerWaalsContact OG1-CE1 3.29Å; T691-H701 PolarHBondContact OG1-ND1 2.74Å
692	S	97.4	Very high	97	Very high	13 Å²	13	57.8 Å²	57.8	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.8	177.1	61.4	0	0	0	0	110.9	K699 T700	S692-K699 CarbonylContact O-C 3.58Å; S692-K699 WeakPolarHBondContact O-CA 3.02Å; S692-T700 PolarHBondContact N-O 3.43Å; S692-T700 PolarHBondContact O-N 3.23Å; S692-T700 PolarHBondContact OG-O 3.05Å
693	K	97.3	Very high	97.1	Very high	52 Å²	52	59.9 Å²	59.9	23%	0.226	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.6	172.3	-179.5	-177.4	175.8	-174.6	0	109.7	I575 L576 F577 D578 N615 R698	I575-K693 PolarHBondContact O-NZ 3.15Å; L576-K693 WeakPolarHBondContact O-CE 3.46Å; F577-K693 CarbonylContact C-O 3.56Å; F577-K693 VanDerWaalsContact CA-O 3.26Å; F577-K693 WeakPolarHBondContact CA-O 3.39Å; D578-K693 PolarHBondContact N-O 3Å; D578-K693 PolarHBondContact OD2-N 2.85Å; N615-K693 WeakPolarHBondContact OD1-CB 3.4Å; K693-R698 WeakPolarHBondContact CA-O 3.47Å
694	N	94	Very high	97.1	Very high	58 Å²	58	58.5 Å²	58.5	31%	0.31	29%	0.286	S	S	.	.			trans	-78.8	174	176.4	75.3	8.8	0	0	0	112.2	F696 G697 R698	N694-F696 PolarHBondContact O-N 2.79Å; N694-F696 VanDerWaalsContact O-N 3.1Å; N694-F696 WeakPolarHBondContact OD1-CA 3.49Å; N694-F696 PolarHBondContact OD1-N 3.15Å; N694-G697 PolarHBondContact O-N 2.59Å; N694-G697 PolarHBondContact OD1-N 3.03Å; N694-G697 VanDerWaalsContact OD1-N 3.14Å; N694-R698 PolarHBondContact N-O 2.94Å; N694-R698 WeakPolarHBondContact OD1-CB 3.36Å; N694-R698 PolarHBondContact OD1-N 3Å
695	I	91.8	Very high	97.1	Very high	126 Å²	126	61.1 Å²	61.1	65%	0.646	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	-179.4	-160.5	164.8	0	0	0	114.3	F577 G697	F577-I695 HydrophobicContact CB-CB 4.46Å; F577-I695 HydrophobicContact CD1-CG1 4.48Å; I695-G697 VanDerWaalsContact C-N 3.33Å
696	F	93	Very high	97.1	Very high	185 Å²	185	59 Å²	59	81%	0.811	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	4.1	174.9	-55.2	-68.6	0	0	0	112.9	N694 R698	N694-F696 PolarHBondContact O-N 2.79Å; N694-F696 VanDerWaalsContact O-N 3.1Å; N694-F696 WeakPolarHBondContact OD1-CA 3.49Å; N694-F696 PolarHBondContact OD1-N 3.15Å; F696-R698 VanDerWaalsContact C-N 3.33Å; F696-R698 PolarHBondContact O-N 2.69Å
697	G	92.4	Very high	97.1	Very high	37 Å²	37	63.7 Å²	63.7	38%	0.381	32%	0.32	S	S	.	.			trans	80.9	2.6	179.6	0	0	0	0	0	115.4	N694 I695 K699	N694-G697 PolarHBondContact O-N 2.59Å; N694-G697 PolarHBondContact OD1-N 3.03Å; N694-G697 VanDerWaalsContact OD1-N 3.14Å; I695-G697 VanDerWaalsContact C-N 3.33Å; G697-K699 PolarHBondContact O-N 3.48Å
698	R	96	Very high	97.1	Very high	178 Å²	178	65.9 Å²	65.9	67%	0.672	33%	0.334	S	S	*	.			trans	-70.8	126.8	176.6	-177.6	-179.1	176.8	-179.7	0.2	109.8	K693 N694 F696	K693-R698 WeakPolarHBondContact CA-O 3.47Å; N694-R698 PolarHBondContact N-O 2.94Å; N694-R698 WeakPolarHBondContact OD1-CB 3.36Å; N694-R698 PolarHBondContact OD1-N 3Å; F696-R698 VanDerWaalsContact C-N 3.33Å; F696-R698 PolarHBondContact O-N 2.69Å
699	K	96.9	Very high	97	Very high	120 Å²	120	66 Å²	66	52%	0.522	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.4	173.9	-66.6	-175.8	-178.6	-176.1	0	111.1	N615 T691 S692 G697	N615-K699 VanDerWaalsContact O-CE 3.31Å; N615-K699 WeakPolarHBondContact O-CE 3.06Å; N615-K699 PolarHBondContact O-NZ 2.03Å; T691-K699 HydrophobicContact CG2-CB 3.84Å; T691-K699 HydrophobicContact CG2-CD 4.37Å; T691-K699 HydrophobicContact CG2-CG 4.34Å; S692-K699 CarbonylContact O-C 3.58Å; S692-K699 WeakPolarHBondContact O-CA 3.02Å; G697-K699 PolarHBondContact O-N 3.48Å
700	T	97.9	Very high	97	Very high	66 Å²	66	65.9 Å²	65.9	41%	0.405	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122	177.6	-51.8	0	0	0	0	110.1	S692	S692-T700 PolarHBondContact N-O 3.43Å; S692-T700 PolarHBondContact O-N 3.23Å; S692-T700 PolarHBondContact OG-O 3.05Å
701	H	98	Very high	97	Very high	129 Å²	129	65.7 Å²	65.7	60%	0.597	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	145	174.5	-60.7	-58.5	0	0	0	111.1	N616 G690 T691	N616-H701 PolarHBondContact ND2-CE1 3.16Å; G690-H701 WeakPolarHBondContact O-CA 3.16Å; T691-H701 PolarHBondContact OG1-CE1 2.86Å; T691-H701 VanDerWaalsContact OG1-CE1 3.29Å; T691-H701 PolarHBondContact OG1-ND1 2.74Å
702	F	98.3	Very high	96.8	Very high	30 Å²	30	68.9 Å²	68.9	13%	0.132	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.1	174.8	62.4	-95.1	0	0	0	110.2	F586 A611 H688 G690	F586-F702 HydrophobicContact CB-CB 4.17Å; F586-F702 HydrophobicContact CB-CD1 3.54Å; F586-F702 HydrophobicContact CB-CD2 3.66Å; F586-F702 HydrophobicContact CB-CE1 3.71Å; F586-F702 HydrophobicContact CB-CE2 3.84Å; F586-F702 HydrophobicContact CB-CG 3.5Å; F586-F702 HydrophobicContact CB-CZ 3.86Å; F586-F702 HydrophobicContact CD1-CE1 4.2Å; F586-F702 HydrophobicContact CD1-CZ 4.26Å; F586-F702 HydrophobicContact CD2-CD1 4.48Å; F586-F702 HydrophobicContact CG-CD1 4.07Å; F586-F702 AromaticContact CG-CE1 3.93Å; F586-F702 HydrophobicContact CG-CE1 3.93Å; F586-F702 HydrophobicContact CG-CZ 4.28Å; A611-F702 HydrophobicContact CB-CE1 3.95Å; A611-F702 HydrophobicContact CB-CZ 4.2Å; H688-F702 AromaticContact NE2-CE2 3.95Å; G690-F702 VanDerWaalsContact C-CE1 3.43Å; G690-F702 PolarHBondContact N-O 3.27Å; G690-F702 VanDerWaalsContact N-O 3.09Å; G690-F702 PolarHBondContact O-N 2.87Å
703	S	98.4	Very high	96.5	Very high	63 Å²	63	69.4 Å²	69.4	44%	0.441	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.6	170.6	63	0	0	0	0	111.1	H688	H688-S703 CarbonylContact O-C 3.49Å; H688-S703 WeakPolarHBondContact O-CA 3.34Å; H688-S703 WeakPolarHBondContact O-CB 3.1Å
704	G	98.4	Very high	95.9	Very high	4 Å²	4	71.9 Å²	71.9	4%	0.041	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.2	172.3	0	0	0	0	0	111	G587 F608 K687 H688	G587-G704 WeakPolarHBondContact O-CA 3.44Å; F608-G704 VanDerWaalsContact CE1-C 3.47Å; K687-G704 CarbonylContact C-O 3.47Å; K687-G704 VanDerWaalsContact CA-O 3.26Å; K687-G704 WeakPolarHBondContact CA-O 3.43Å; K687-G704 WeakPolarHBondContact CG-O 3.39Å; H688-G704 PolarHBondContact N-O 3.36Å; H688-G704 PolarHBondContact O-N 2.85Å
705	V	98.7	Very high	94.6	Very high	58 Å²	58	76.7 Å²	76.7	35%	0.352	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.2	177.5	-171.5	0	0	0	0	109	V589 R685 K687	V589-V705 WeakPolarHBondContact CG2-O 3.44Å; R685-V705 HydrophobicContact CB-CG1 4.47Å; R685-V705 HydrophobicContact CG-CG1 4.22Å; K687-V705 HydrophobicContact CB-CG2 4.24Å; K687-V705 HydrophobicContact CD-CG2 4.01Å; K687-V705 HydrophobicContact CG-CG2 3.89Å
706	T	98.8	Very high	92.9	Very high	7 Å²	7	75 Å²	75	4%	0.043	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70.9	168.1	174.9	66.2	0	0	0	0	112.2	V589 P593 V606 F608 I686	V589-T706 HydrophobicContact CG1-CG2 4.32Å; V589-T706 HydrophobicContact CG2-CG2 4.34Å; P593-T706 HydrophobicContact CG-CG2 4.48Å; V606-T706 HydrophobicContact CB-CG2 4.12Å; V606-T706 HydrophobicContact CG1-CG2 4.01Å; V606-T706 HydrophobicContact CG2-CG2 4.15Å; F608-T706 HydrophobicContact CE2-CG2 4.18Å; F608-T706 HydrophobicContact CZ-CG2 3.65Å; I686-T706 HydrophobicContact CB-CG2 3.9Å; I686-T706 PolarHBondContact N-OG1 3.36Å; I686-T706 WeakPolarHBondContact O-CG2 3.42Å; I686-T706 PolarHBondContact O-N 2.98Å; I686-T706 PolarHBondContact O-OG1 2.51Å
707	N	98.5	Very high	90.9	Very high	99 Å²	99	69.5 Å²	69.5	53%	0.529	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-59.3	154.6	157.8	-68.9	-15.6	0	0	0	110.1
708	N	98.4	Very high	88.8	Confident	97 Å²	97	76 Å²	76	52%	0.519	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-71.1	144.8	172.3	-57.2	-9.1	0	0	0	109.7	W636 T683 Y684	W636-N708 HydrophobicContact CH2-CB 4.39Å; W636-N708 WeakPolarHBondContact CZ2-OD1 3.35Å; T683-N708 HydrophobicContact CG2-CB 3.96Å; Y684-N708 WeakPolarHBondContact O-CA 3.4Å
709	F	98.4	Very high	86.5	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.009	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.2	175.6	58.1	-84.3	0	0	0	110.5	P593 N594 S595 Y597 V604 W670 T683 Y684 I686 V711	P593-F709 HydrophobicContact CB-CB 4.42Å; P593-F709 HydrophobicContact CB-CD1 3.67Å; P593-F709 HydrophobicContact CB-CE1 3.98Å; P593-F709 HydrophobicContact CB-CG 4Å; P593-F709 HydrophobicContact CG-CB 4.28Å; P593-F709 HydrophobicContact CG-CD1 3.27Å; P593-F709 HydrophobicContact CG-CE1 3.75Å; P593-F709 HydrophobicContact CG-CG 3.97Å; N594-F709 WeakPolarHBondContact O-CB 3.47Å; S595-F709 CarbonylContact O-C 3.5Å; S595-F709 WeakPolarHBondContact O-CA 3.43Å; Y597-F709 AromaticContact CD2-CD2 3.77Å; Y597-F709 HydrophobicContact CD2-CD2 3.77Å; Y597-F709 HydrophobicContact CD2-CE2 4.22Å; Y597-F709 AromaticContact CE2-CD2 3.85Å; Y597-F709 HydrophobicContact CE2-CD2 3.85Å; Y597-F709 HydrophobicContact CE2-CE2 4.22Å; Y597-F709 HydrophobicContact CE2-CG 4.42Å; V604-F709 HydrophobicContact CG1-CE1 4.36Å; V604-F709 HydrophobicContact CG1-CE2 4.07Å; V604-F709 HydrophobicContact CG1-CZ 3.81Å; V604-F709 HydrophobicContact CG2-CE2 3.81Å; V604-F709 HydrophobicContact CG2-CZ 4.23Å; W670-F709 HydrophobicContact CE3-CE2 4.19Å; W670-F709 AromaticContact CE3-CZ 4Å; W670-F709 HydrophobicContact CE3-CZ 4Å; W670-F709 AromaticContact CZ3-CE2 3.63Å; W670-F709 HydrophobicContact CZ3-CE2 3.63Å; W670-F709 AromaticContact CZ3-CZ 3.71Å; W670-F709 HydrophobicContact CZ3-CZ 3.71Å; T683-F709 CarbonylContact C-O 3.56Å; T683-F709 WeakPolarHBondContact CA-O 3.25Å; Y684-F709 PolarHBondContact N-O 3.17Å; Y684-F709 WeakPolarHBondContact O-CD1 3.47Å; Y684-F709 PolarHBondContact O-N 2.87Å; I686-F709 HydrophobicContact CD1-CZ 4.37Å; I686-F709 HydrophobicContact CG1-CE1 4.25Å; I686-F709 HydrophobicContact CG1-CZ 4.23Å; F709-V711 HydrophobicContact CE2-CG2 4.45Å
710	T	97.9	Very high	83.5	Confident	48 Å²	48	77 Å²	77	29%	0.294	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.7	-175.7	-53.6	0	0	0	0	111	S595 T596 Y597 G682 L712	S595-T710 PolarHBondContact O-N 3Å; T596-T710 CarbonylContact C-O 3.57Å; T596-T710 VanDerWaalsContact CA-O 3.25Å; T596-T710 WeakPolarHBondContact CA-O 3.45Å; Y597-T710 PolarHBondContact N-O 2.91Å; G682-T710 CarbonylContact O-C 3.55Å; G682-T710 WeakPolarHBondContact O-CA 3.19Å; T710-L712 HydrophobicContact CG2-CD2 3.82Å; T710-L712 HydrophobicContact CG2-CG 4.39Å
711	V	97.6	Very high	82.8	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.6	168.8	173.7	0	0	0	0	107.9	Y597 W670 V672 P681 G682 Y684 F709 C713	Y597-V711 WeakPolarHBondContact O-CA 3.34Å; W670-V711 HydrophobicContact CH2-CG2 4.23Å; V672-V711 HydrophobicContact CG1-CB 4.41Å; V672-V711 HydrophobicContact CG1-CG1 3.36Å; V672-V711 HydrophobicContact CG1-CG2 4.15Å; V672-V711 HydrophobicContact CG2-CG2 4.3Å; P681-V711 CarbonylContact C-O 3.57Å; P681-V711 WeakPolarHBondContact CA-O 3.41Å; P681-V711 WeakPolarHBondContact CB-O 3.47Å; G682-V711 PolarHBondContact N-O 2.89Å; G682-V711 PolarHBondContact O-N 3.2Å; Y684-V711 HydrophobicContact CD2-CB 4.03Å; Y684-V711 HydrophobicContact CD2-CG2 3.64Å; Y684-V711 HydrophobicContact CE2-CB 3.8Å; Y684-V711 HydrophobicContact CE2-CG2 3.8Å; F709-V711 HydrophobicContact CE2-CG2 4.45Å; V711-C713 VanDerWaalsContact CG1-SG 3.59Å
712	L	95.3	Very high	82	Confident	75 Å²	75	74.9 Å²	74.9	39%	0.393	42%	0.422	S	S	.	.			trans	-105.7	-23.5	-177.6	-63.3	179	0	0	0	114.7	T596 Y597 Y598 T710 E714	T596-L712 HydrophobicContact CG2-CD1 3.69Å; T596-L712 HydrophobicContact CG2-CG 3.91Å; Y597-L712 PolarHBondContact O-N 3.3Å; Y598-L712 HydrophobicContact CD1-CD1 3.85Å; Y598-L712 HydrophobicContact CE1-CD1 3.7Å; T710-L712 HydrophobicContact CG2-CD2 3.82Å; T710-L712 HydrophobicContact CG2-CG 4.39Å; L712-E714 HydrophobicContact CB-CG 4.23Å; L712-E714 PolarHBondContact O-N 2.82Å
713	C	90.6	Very high	81.1	Confident	24 Å²	24	77.4 Å²	77.4	16%	0.162	44%	0.438	C	S	.	.			trans	55.1	44.4	-179.8	-54.1	0	0	0	0	114.1	Y598 C679 I680 V711 H715	Y598-C713 CarbonylContact O-C 3.55Å; Y598-C713 WeakPolarHBondContact O-CA 3.45Å; Y598-C713 PolarHBondContact O-N 3.38Å; C679-C713 HydrophobicContact CB-CB 3.72Å; C679-C713 WeakPolarHBondContact CB-SG 3.46Å; C679-C713 PolarHBondContact O-SG 2.78Å; C679-C713 VanDerWaalsContact SG-CA 3.57Å; C679-C713 WeakPolarHBondContact SG-CB 3.19Å; C679-C713 CovalentContact SG-SG 2.03Å; C679-C713 PolarHBondContact SG-SG 2.84Å; I680-C713 VanDerWaalsContact C-SG 3.53Å; I680-C713 PolarHBondContact N-SG 2.81Å; V711-C713 VanDerWaalsContact CG1-SG 3.59Å; C713-H715 PolarHBondContact O-N 3.44Å
714	E	84	Confident	80.1	Confident	104 Å²	104	78.2 Å²	78.2	49%	0.486	44%	0.438	S	S	.	.			trans	-65.7	128.4	178.6	-68.2	-179.3	178.9	0	0	110.7	Y598 L712 N716	Y598-E714 PolarHBondContact O-N 3.43Å; L712-E714 HydrophobicContact CB-CG 4.23Å; L712-E714 PolarHBondContact O-N 2.82Å; E714-N716 PolarHBondContact O-N 3.41Å
715	H	67.2	Low	78.9	Confident	158 Å²	158	82.9 Å²	82.9	73%	0.731	46%	0.462	S	S	*	.			trans	-76.7	114.6	169	-80.2	-76.3	0	0	0	108.6	C713 G717	C713-H715 PolarHBondContact O-N 3.44Å; H715-G717 PolarHBondContact O-N 3.26Å
716	N	55.3	Low	77.6	Confident	90 Å²	90	84.5 Å²	84.5	48%	0.481	47%	0.47	S	S	.	.			trans	-60.2	125.6	160.6	-69.1	-17.1	0	0	0	106.6	E714 E718	E714-N716 PolarHBondContact O-N 3.41Å; N716-E718 PolarHBondContact O-N 2.75Å
717	G	51	Low	76.1	Confident	70 Å²	70	90.1 Å²	90.1	72%	0.722	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	31.2	-179.4	0	0	0	0	0	115.2	H715	H715-G717 PolarHBondContact O-N 3.26Å
718	E	49.3	Very low	74.3	Confident	174 Å²	174	89.4 Å²	89.4	81%	0.813	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-3.1	177.3	-72.1	-176.9	158.7	0	0	113.1	N716	N716-E718 PolarHBondContact O-N 2.75Å
719	D	47.9	Very low	72.3	Confident	126 Å²	126	88.8 Å²	88.8	67%	0.674	50%	0.496	S	S	*	.			trans	-96.2	23.5	176.1	-82	-20.7	0	0	0	113.4	K600	K600-D719 IonicContact NZ-OD2 3.58Å
720	T	33.6	Very low	70	Confident	194 Å²	194	96.6 Å²	96.6	100%	1.19	54%	0.541	S	S	*	.			trans	-111.8	0	172.7	55.4	0	0	0	0	113.5

Retrieved 720 of 720 residues in 217.3 ms (Link to these results)

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