A0A061I2K0_CRIGR Loading...

Beta-glucuronidase

Plays an important role in the degradation of dermatan and keratan sulfates.

AlphaFold DB , UniProt , Accession A0A061I2K0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gusb, Length 655 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	41.2	Very low	27	Very low	245 Å²	245	145.5 Å²	145.5	100%	1.207	86%	0.858	S	S	*	*				0	87.2	0	-87.3	-168.4	-85	0	0	109.1
2	V	26.2	Very low	26.7	Very low	152 Å²	152	153.3 Å²	153.3	92%	0.921	86%	0.862	S	S	*	*			trans	-166	130.4	171.3	-177.7	0	0	0	0	100.6
3	G	24.1	Very low	26.4	Very low	61 Å²	61	151 Å²	151	63%	0.629	86%	0.862	S	S	*	*			cis	136	122.3	25.4	0	0	0	0	0	105.6
4	S	25.4	Very low	26.2	Very low	121 Å²	121	147.6 Å²	147.6	85%	0.846	86%	0.862	S	S	*	*			trans	51.7	129.8	162.7	72	0	0	0	0	121.4
5	Q	25.7	Very low	26	Very low	202 Å²	202	145.3 Å²	145.3	94%	0.944	86%	0.855	S	S	*	*			trans	-140.5	125.1	137.3	-91.9	-170.3	-8.7	0	0	110.7
6	A	27.3	Very low	25.7	Very low	101 Å²	101	151.6 Å²	151.6	84%	0.835	86%	0.86	S	S	*	*			trans	-123	136.2	161.7	0	0	0	0	0	107.2
7	S	24.4	Very low	25.7	Very low	109 Å²	109	150.1 Å²	150.1	76%	0.762	85%	0.854	S	S	*	*			trans	-156.4	110.1	161.8	58.3	0	0	0	0	108
8	M	23.6	Very low	25.7	Very low	186 Å²	186	146.5 Å²	146.5	92%	0.916	85%	0.846	S	S	*	*				55.7	111.4	97.9	-73.8	-165.2	84.1	0	0	116
9	S	25.7	Very low	25.7	Very low	103 Å²	103	148.3 Å²	148.3	72%	0.72	85%	0.852	S	S	*	*			trans	-62.7	164.9	160.8	71.4	0	0	0	0	112.5
10	P	29.5	Very low	25.6	Very low	126 Å²	126	145.7 Å²	145.7	82%	0.818	85%	0.848	S	S	*	*				-145.6	162.1	105.7	32.1	-13.3	0	0	0	116.8
11	K	24	Very low	25.9	Very low	194 Å²	194	144.2 Å²	144.2	84%	0.843	84%	0.843	S	S	*	*			trans	-52.4	147.5	178.8	-62.5	168.2	172.9	177.3	0	115.7
12	R	23.5	Very low	25.1	Very low	240 Å²	240	140.7 Å²	140.7	91%	0.906	83%	0.829	S	S	*	*				177	120.3	109.7	-94.3	174.9	-175.5	-164.7	1.7	113.5
13	S	23.2	Very low	25.1	Very low	123 Å²	123	141.9 Å²	141.9	86%	0.86	83%	0.829	S	S	*	*			trans	35.3	120	136.3	-44.2	0	0	0	0	122.3
14	A	22.8	Very low	25.3	Very low	104 Å²	104	144.7 Å²	144.7	86%	0.86	84%	0.838	S	S	*	*				-174.7	145.2	120.7	0	0	0	0	0	111.7
15	C	22.8	Very low	25.3	Very low	113 Å²	113	144.4 Å²	144.4	76%	0.764	84%	0.835	S	S	*	*			trans	-42.4	145.9	-179.6	-63.4	0	0	0	0	117.4
16	W	22.4	Very low	25.5	Very low	246 Å²	246	140.1 Å²	140.1	93%	0.932	83%	0.827	S	S	*	*			trans	-171.5	101.8	133.8	-81.2	102.6	0	0	0	105.5
17	V	24.5	Very low	25.7	Very low	125 Å²	125	138.3 Å²	138.3	76%	0.758	81%	0.812	S	S	*	*				50.9	119.8	89.3	-178	0	0	0	0	114.2
18	A	27.1	Very low	26.3	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	81%	0.814	S	S	*	*			trans	70.6	117.2	158.9	0	0	0	0	0	118.8
19	L	23.9	Very low	27.6	Very low	181 Å²	181	135.1 Å²	135.1	95%	0.948	80%	0.799	S	S	*	*				-177.1	83.2	127.4	-94.4	156.5	0	0	0	110.8
20	A	24	Very low	29.5	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	78%	0.781	S	S	*	*			trans	-142	124.4	146.9	0	0	0	0	0	103.4
21	P	32.1	Very low	31.4	Very low	115 Å²	115	136 Å²	136	75%	0.747	78%	0.783	S	S	*	*				-144.3	147.4	55.2	36.9	-17.6	0	0	0	114.6
22	L	25.1	Very low	34.3	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	76%	0.757	S	S	*	*			trans	-156.3	81.5	162.9	-107.2	150	0	0	0	107
23	L	26.7	Very low	37.6	Very low	176 Å²	176	117 Å²	117	92%	0.921	72%	0.717	S	S	*	*			trans	-179.7	61.6	159.7	-95	164.3	0	0	0	107.1
24	C	27.8	Very low	41.1	Very low	121 Å²	121	112 Å²	112	82%	0.818	68%	0.681	S	S	*	*			trans	-126.1	78.8	164.1	-145.7	0	0	0	0	105.1	C26	C24-C26 PolarHBondContact O-N 3.08Å
25	S	25.7	Very low	44.7	Very low	114 Å²	114	108 Å²	108	80%	0.797	65%	0.645	S	S	*	*			trans	-69.9	110.9	168.1	48.2	0	0	0	0	106.9	A27	S25-A27 PolarHBondContact O-N 3.4Å
26	C	29.7	Very low	48.4	Very low	112 Å²	112	104.8 Å²	104.8	76%	0.757	62%	0.618	S	S	*	*			trans	-37.2	101.8	-178	-53	0	0	0	0	113.9	C24	C24-C26 PolarHBondContact O-N 3.08Å
27	A	30.9	Very low	52	Low	64 Å²	64	93.7 Å²	93.7	53%	0.529	58%	0.577	S	S	.	*			trans	-73.3	112.8	135.2	0	0	0	0	0	104.8	S25 A29	S25-A27 PolarHBondContact O-N 3.4Å; A27-A29 PolarHBondContact O-N 2.75Å
28	L	36.1	Very low	55.4	Low	153 Å²	153	91.4 Å²	91.4	80%	0.801	56%	0.555	S	S	*	*			trans	-65.9	106.8	168.2	-77.9	160	0	0	0	105.1	L30	L28-L30 PolarHBondContact O-N 3.15Å
29	A	51.1	Low	58.8	Low	74 Å²	74	94.7 Å²	94.7	61%	0.612	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-47.4	132	172.7	0	0	0	0	0	108.7	A27 Q31	A27-A29 PolarHBondContact O-N 2.75Å; A29-Q31 PolarHBondContact O-N 2.66Å; A29-Q31 VanDerWaalsContact O-N 3.17Å
30	L	66.2	Low	62.3	Low	63 Å²	63	87.5 Å²	87.5	33%	0.33	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-47.2	125.4	178	-71.9	163.6	0	0	0	110.5	L28 E434 E435	L28-L30 PolarHBondContact O-N 3.15Å; L30-E434 HydrophobicContact CD1-CB 3.54Å; L30-E434 HydrophobicContact CG-CB 4.25Å; L30-E434 PolarHBondContact N-OE2 3.37Å; L30-E435 HydrophobicContact CD1-CB 4.2Å; L30-E435 HydrophobicContact CD1-CG 3.41Å; L30-E435 VanDerWaalsContact CD1-CG 3.41Å; L30-E435 HydrophobicContact CD2-CG 4.42Å
31	Q	69.7	Low	65.8	Low	185 Å²	185	88.7 Å²	88.7	86%	0.864	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-77.4	130.1	177.5	-68.3	-171.3	-8.3	0	0	110	A29	A29-Q31 PolarHBondContact O-N 2.66Å; A29-Q31 VanDerWaalsContact O-N 3.17Å
32	G	84.5	Confident	68.8	Low	29 Å²	29	84.3 Å²	84.3	30%	0.299	49%	0.492	S	S	.	.	S	Bend	trans	88.8	154.9	173.1	0	0	0	0	0	114.6	R438	G32-R438 PolarHBondContact O-NH1 2.77Å
33	G	93.4	Very high	72.3	Confident	7 Å²	7	76.8 Å²	76.8	7%	0.072	45%	0.452	C	S	.	.			trans	-73.5	178.7	173.1	0	0	0	0	0	113.3	D235	G33-D235 WeakPolarHBondContact CA-O 3.29Å; G33-D235 PolarHBondContact N-OD1 2.81Å; G33-D235 PolarHBondContact N-OD2 2.94Å
34	M	97.4	Very high	75.7	Confident	18 Å²	18	70 Å²	70	9%	0.089	42%	0.416	C	S	.	.			trans	-147.3	34	180	-162.6	55.3	69.4	0	0	111.5	F36 R129 P155 E157 R438	M34-F36 PolarHBondContact O-N 2.95Å; M34-R129 PolarHBondContact SD-NH1 3.03Å; M34-P155 HydrophobicContact CG-CB 4.44Å; M34-P155 HydrophobicContact CG-CG 3.63Å; M34-P155 HydrophobicContact SD-CB 4.24Å; M34-P155 HydrophobicContact SD-CG 4.07Å; M34-E157 HydrophobicContact CE-CG 4.33Å; M34-E157 HydrophobicContact SD-CG 4.38Å; M34-R438 HydrophobicContact CB-CG 4.31Å
35	L	98.5	Very high	79	Confident	20 Å²	20	66.3 Å²	66.3	11%	0.105	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-53.7	139.9	179.9	-68.9	175.9	0	0	0	111.1	I234 I237 Y323	L35-I234 HydrophobicContact CD1-CG2 4.18Å; L35-I237 HydrophobicContact CD1-CD1 4.4Å; L35-I237 HydrophobicContact CD1-CG1 4.03Å; L35-I237 HydrophobicContact CD2-CB 4.26Å; L35-Y323 HydrophobicContact CB-CE2 4.06Å; L35-Y323 HydrophobicContact CD1-CD1 4.34Å; L35-Y323 HydrophobicContact CD1-CD2 4.43Å; L35-Y323 HydrophobicContact CD1-CE1 4.18Å; L35-Y323 HydrophobicContact CD1-CE2 4.27Å; L35-Y323 HydrophobicContact CD1-CG 4.44Å; L35-Y323 HydrophobicContact CD2-CE1 4.23Å
36	F	98.6	Very high	82.5	Confident	45 Å²	45	64.6 Å²	64.6	20%	0.197	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.6	128	177.4	-172.8	-97.9	0	0	0	110.4	M34 R38 Y323 E393 E394 Q397	M34-F36 PolarHBondContact O-N 2.95Å; F36-R38 HydrophobicContact CD1-CG 4.2Å; F36-R38 PolarHBondContact O-N 2.93Å; F36-Y323 WeakPolarHBondContact O-CE2 3.43Å; F36-Y323 PolarHBondContact O-OH 3.23Å; F36-E393 HydrophobicContact CD2-CB 3.69Å; F36-E393 HydrophobicContact CD2-CG 4.11Å; F36-E393 HydrophobicContact CE2-CB 3.92Å; F36-E394 HydrophobicContact CZ-CG 4.3Å; F36-Q397 VanDerWaalsContact CD1-NE2 3.3Å
37	P	98.4	Very high	85.7	Confident	13 Å²	13	61.9 Å²	61.9	8%	0.084	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-59.6	130	178.9	-25.5	35	0	0	0	112	V45 V225 Y227	P37-V45 HydrophobicContact CB-CG1 4.49Å; P37-V45 HydrophobicContact CB-CG2 3.96Å; P37-V225 HydrophobicContact CG-CG2 4.17Å; P37-Y227 HydrophobicContact CB-CD1 4.1Å; P37-Y227 HydrophobicContact CB-CG 4.07Å; P37-Y227 HydrophobicContact CG-CD1 3.76Å; P37-Y227 HydrophobicContact CG-CE1 4.06Å; P37-Y227 HydrophobicContact CG-CG 4.24Å
38	R	97.3	Very high	88.9	Confident	76 Å²	76	58.9 Å²	58.9	29%	0.287	33%	0.328	S	S	.	.			trans	-134.3	140.7	179.6	-70	176.8	178.9	-91.3	-7.2	109.4	F36 R43 Y323	F36-R38 HydrophobicContact CD1-CG 4.2Å; F36-R38 PolarHBondContact O-N 2.93Å; R38-R43 WeakPolarHBondContact O-CB 3.48Å; R38-Y323 HydrophobicContact CB-CE2 4.38Å; R38-Y323 HydrophobicContact CG-CE2 4.39Å
39	E	98.2	Very high	91.9	Very high	155 Å²	155	54 Å²	54	72%	0.724	30%	0.302	S	S	*	.			trans	-67.9	136.8	167.3	-64.4	-178.8	136.9	0	0	109.3	R43 V45	E39-R43 WeakPolarHBondContact CA-O 3.38Å; E39-V45 HydrophobicContact CG-CB 4.16Å; E39-V45 HydrophobicContact CG-CG2 4.14Å
40	S	97.4	Very high	94.2	Very high	31 Å²	31	52 Å²	52	22%	0.217	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-152.3	175.3	176.5	84.4	0	0	0	0	108.9	S42 R43 F322	S40-S42 PolarHBondContact O-N 2.89Å; S40-S42 PolarHBondContact OG-N 3.19Å; S40-S42 PolarHBondContact OG-OG 3.36Å; S40-S42 VanDerWaalsContact OG-OG 3.14Å; S40-R43 PolarHBondContact N-O 3.4Å; S40-R43 PolarHBondContact O-N 3.34Å; S40-R43 PolarHBondContact OG-N 3.04Å; S40-F322 WeakPolarHBondContact CB-O 3.47Å; S40-F322 PolarHBondContact OG-O 3.4Å
41	P	95.9	Very high	95.7	Very high	119 Å²	119	54.3 Å²	54.3	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.9	174.4	-27.9	36.4	0	0	0	114.6	F322	P41-F322 HydrophobicContact CB-CD2 4.14Å; P41-F322 HydrophobicContact CB-CE2 4.44Å; P41-F322 HydrophobicContact CG-CD2 4.48Å; P41-F322 HydrophobicContact CG-CG 4.47Å
42	S	96.1	Very high	97.1	Very high	23 Å²	23	45.6 Å²	45.6	16%	0.161	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-3.5	-178.3	59.6	0	0	0	0	114.6	S40 S320 D321 F322	S40-S42 PolarHBondContact O-N 2.89Å; S40-S42 PolarHBondContact OG-N 3.19Å; S40-S42 PolarHBondContact OG-OG 3.36Å; S40-S42 VanDerWaalsContact OG-OG 3.14Å; S42-S320 WeakPolarHBondContact CB-O 3.44Å; S42-D321 WeakPolarHBondContact OG-CA 3.16Å; S42-D321 PolarHBondContact OG-OD1 2.79Å; S42-F322 PolarHBondContact OG-N 3.13Å
43	R	98.2	Very high	97.8	Very high	14 Å²	14	49.1 Å²	49.1	5%	0.053	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-134.7	136.4	-170.6	-59.3	-175.3	-177.8	-152.9	2.3	111.7	R38 E39 S40 T228 T229 I234 D321	R38-R43 WeakPolarHBondContact O-CB 3.48Å; E39-R43 WeakPolarHBondContact CA-O 3.38Å; S40-R43 PolarHBondContact N-O 3.4Å; S40-R43 PolarHBondContact O-N 3.34Å; S40-R43 PolarHBondContact OG-N 3.04Å; R43-T228 WeakPolarHBondContact CA-O 3.49Å; R43-T228 WeakPolarHBondContact CB-O 3.44Å; R43-T229 HydrophobicContact CG-CG2 4.25Å; R43-I234 PolarHBondContact NH2-O 3.28Å; R43-D321 IonicContact CZ-OD1 3.97Å; R43-D321 IonicContact CZ-OD2 3.94Å; R43-D321 IonicContact NE-OD1 2.73Å; R43-D321 PolarHBondContact NE-OD1 2.92Å; R43-D321 IonicContact NE-OD2 3.39Å; R43-D321 IonicContact NH2-OD1 3.13Å; R43-D321 IonicContact NH2-OD2 2.78Å; R43-D321 PolarHBondContact NH2-OD2 3.23Å
44	E	98.3	Very high	98	Very high	34 Å²	34	48.9 Å²	48.9	16%	0.159	26%	0.262	C	S	.	.			trans	-120.4	149	175.7	-59.7	164.6	-128	0	0	110.3	R117 W118 Y227 T228	E44-R117 IonicContact OE1-CZ 3.15Å; E44-R117 IonicContact OE1-NE 3.73Å; E44-R117 PolarHBondContact OE1-NE 2.94Å; E44-R117 IonicContact OE1-NH1 2.66Å; E44-R117 PolarHBondContact OE1-NH1 2.94Å; E44-R117 IonicContact OE1-NH2 3.15Å; E44-R117 PolarHBondContact OE1-NH2 2.92Å; E44-R117 IonicContact OE2-CZ 3.91Å; E44-R117 IonicContact OE2-NE 3.7Å; E44-R117 PolarHBondContact OE2-NE 3.45Å; E44-R117 VanDerWaalsContact OE2-NE 3.15Å; E44-R117 IonicContact OE2-NH2 2.75Å; E44-R117 PolarHBondContact OE2-NH2 2.81Å; E44-W118 HydrophobicContact CB-CZ2 3.71Å; E44-W118 PolarHBondContact OE1-NE1 3.02Å; E44-W118 PolarHBondContact OE2-NE1 3.17Å; E44-Y227 CarbonylContact O-C 3.5Å; E44-Y227 WeakPolarHBondContact O-CA 3.3Å; E44-Y227 WeakPolarHBondContact O-CB 3.37Å; E44-T228 WeakPolarHBondContact CB-OG1 3.37Å; E44-T228 PolarHBondContact N-OG1 3.24Å; E44-T228 VanDerWaalsContact N-OG1 3.16Å; E44-T228 PolarHBondContact O-N 3.38Å
45	V	98.4	Very high	98.1	Very high	43 Å²	43	49.2 Å²	49.2	26%	0.261	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.2	176.7	-175.1	0	0	0	0	109.4	P37 E39 V225	P37-V45 HydrophobicContact CB-CG1 4.49Å; P37-V45 HydrophobicContact CB-CG2 3.96Å; E39-V45 HydrophobicContact CG-CB 4.16Å; E39-V45 HydrophobicContact CG-CG2 4.14Å; V45-V225 HydrophobicContact CG1-CB 4.24Å; V45-V225 HydrophobicContact CG1-CG1 4.44Å
46	K	97.9	Very high	98.1	Very high	78 Å²	78	48.7 Å²	48.7	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108	175.6	-176.4	-175.3	-179.2	71.4	0	109.2	I113 W118 L226	K46-I113 VanDerWaalsContact CE-O 3.3Å; K46-I113 WeakPolarHBondContact CE-O 3.15Å; K46-W118 HydrophobicContact CB-CH2 3.58Å; K46-W118 HydrophobicContact CB-CZ2 4.43Å; K46-W118 HydrophobicContact CB-CZ3 4.2Å; K46-W118 HydrophobicContact CD-CH2 4.48Å; K46-W118 HydrophobicContact CD-CZ3 4.48Å; K46-L226 PolarHBondContact N-O 3.48Å; K46-L226 PolarHBondContact O-N 3.49Å
47	A	97.8	Very high	98.1	Very high	55 Å²	55	46.6 Å²	46.6	46%	0.455	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.3	172	0	0	0	0	0	111.3
48	L	98.3	Very high	98	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.26	C	S	.	.			trans	-104	25.6	170.3	-58.8	-172	0	0	0	111.2	W52 R110 A112 L128 V174 V224 L226	L48-W52 HydrophobicContact CB-CZ2 3.94Å; L48-W52 PolarHBondContact O-NE1 2.87Å; L48-R110 VanDerWaalsContact O-CZ 3.25Å; L48-R110 PolarHBondContact O-NH1 3.44Å; L48-A112 HydrophobicContact CD2-CB 3.65Å; L48-L128 HydrophobicContact CD1-CD1 4.17Å; L48-V174 HydrophobicContact CD1-CG2 4.32Å; L48-V224 WeakPolarHBondContact CA-O 3.43Å; L48-V224 HydrophobicContact CB-CB 4.29Å; L48-V224 HydrophobicContact CB-CG1 4.28Å; L48-V224 WeakPolarHBondContact CB-O 3.37Å; L48-V224 HydrophobicContact CD1-CG1 4.21Å; L48-V224 PolarHBondContact N-O 2.78Å; L48-L226 HydrophobicContact CD1-CD1 4.02Å; L48-L226 HydrophobicContact CD1-CG 3.92Å; L48-L226 HydrophobicContact CD2-CD1 4.09Å; L48-L226 HydrophobicContact CG-CD1 4.36Å; L48-L226 HydrophobicContact CG-CG 4.32Å
49	D	98.4	Very high	98	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	25%	0.253	S	S	.	.			trans	-72.2	154.9	175.1	-63.7	-8.9	0	0	0	111.5	V86 R110 S223 V224	D49-V86 CarbonylContact C-O 3.58Å; D49-V86 WeakPolarHBondContact CA-O 3.36Å; D49-V86 WeakPolarHBondContact CB-O 3.38Å; D49-R110 PolarHBondContact O-NH1 3.34Å; D49-R110 PolarHBondContact O-NH2 3.14Å; D49-S223 WeakPolarHBondContact OD1-CA 3.21Å; D49-S223 WeakPolarHBondContact OD1-CB 3.45Å; D49-S223 PolarHBondContact OD1-OG 3.26Å; D49-S223 WeakPolarHBondContact OD2-CB 3.18Å; D49-S223 PolarHBondContact OD2-OG 2.99Å; D49-V224 PolarHBondContact OD1-N 3.19Å
50	G	98.3	Very high	97.8	Very high	33 Å²	33	47.7 Å²	47.7	34%	0.34	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.4	-151.5	-174.1	0	0	0	0	0	112	P85 V86	G50-P85 WeakPolarHBondContact O-CA 3.44Å; G50-V86 PolarHBondContact N-O 3.03Å; G50-V86 PolarHBondContact O-N 2.72Å
51	L	98.6	Very high	97.6	Very high	112 Å²	112	50.1 Å²	50.1	59%	0.586	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	132	-176.3	-59.5	178.8	0	0	0	111.8	D83 P85	L51-D83 HydrophobicContact CB-CB 4.49Å; L51-D83 HydrophobicContact CD1-CB 4.37Å; L51-D83 HydrophobicContact CD2-CB 4.42Å; L51-P85 HydrophobicContact CD2-CB 4.5Å
52	W	98.9	Very high	97.7	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.6	171.6	-73.7	61.5	0	0	0	109.1	L48 D83 M84 V86 Y108 E109 R110 V174 I176 V224	L48-W52 HydrophobicContact CB-CZ2 3.94Å; L48-W52 PolarHBondContact O-NE1 2.87Å; W52-D83 WeakPolarHBondContact O-CA 3.37Å; W52-M84 PolarHBondContact N-O 3.39Å; W52-M84 PolarHBondContact O-N 2.89Å; W52-V86 HydrophobicContact CB-CG2 4.29Å; W52-V86 HydrophobicContact CD2-CG2 4.28Å; W52-V86 HydrophobicContact CG-CG2 3.75Å; W52-Y108 HydrophobicContact CB-CD1 3.95Å; W52-Y108 HydrophobicContact CG-CD1 4.48Å; W52-E109 VanDerWaalsContact CE3-C 3.42Å; W52-R110 HydrophobicContact CD2-CB 3.39Å; W52-R110 HydrophobicContact CD2-CG 4.39Å; W52-R110 HydrophobicContact CE3-CB 3.47Å; W52-R110 VanDerWaalsContact CE3-CB 3.47Å; W52-R110 HydrophobicContact CG-CB 3.96Å; W52-R110 HydrophobicContact CH2-CB 3.97Å; W52-R110 HydrophobicContact CZ2-CB 3.89Å; W52-R110 HydrophobicContact CZ3-CB 3.76Å; W52-V174 HydrophobicContact CH2-CB 4.08Å; W52-V174 HydrophobicContact CH2-CG1 3.85Å; W52-V174 HydrophobicContact CZ3-CB 4.24Å; W52-V174 HydrophobicContact CZ3-CG1 4.07Å; W52-I176 HydrophobicContact CH2-CD1 4.02Å; W52-I176 HydrophobicContact CZ3-CD1 4.05Å; W52-I176 HydrophobicContact CZ3-CG1 4.33Å; W52-V224 HydrophobicContact CH2-CG1 4.18Å; W52-V224 HydrophobicContact CZ2-CB 4.07Å; W52-V224 HydrophobicContact CZ2-CG1 4.08Å; W52-V224 HydrophobicContact CZ2-CG2 4.3Å
53	R	98.8	Very high	97.8	Very high	103 Å²	103	49.6 Å²	49.6	39%	0.389	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.5	167.5	-62.8	-58.9	-174.5	-177.7	2.7	108.6	L75 L82 D83 Y108 E109	R53-L75 HydrophobicContact CB-CD2 4.39Å; R53-L82 CarbonylContact C-O 3.55Å; R53-L82 WeakPolarHBondContact CA-O 3.35Å; R53-D83 IonicContact CZ-OD1 2.88Å; R53-D83 IonicContact NE-OD1 3.27Å; R53-D83 IonicContact NH1-OD1 3.82Å; R53-D83 PolarHBondContact NH1-OD1 2.91Å; R53-D83 IonicContact NH1-OD2 3.7Å; R53-Y108 CarbonylContact O-C 3.57Å; R53-Y108 VanDerWaalsContact O-CA 3.27Å; R53-Y108 WeakPolarHBondContact O-CA 3.43Å; R53-E109 HydrophobicContact CB-CB 4.33Å; R53-E109 PolarHBondContact N-O 2.84Å; R53-E109 PolarHBondContact O-N 2.65Å
54	F	98.9	Very high	97.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.9	-171.8	178.2	-91.3	0	0	0	111.8	A56 T81 L82 M84 F90 L99 V106 W107 Y108	F54-A56 HydrophobicContact CE1-CB 4.2Å; F54-A56 HydrophobicContact CZ-CB 4.3Å; F54-T81 CarbonylContact O-C 3.57Å; F54-T81 WeakPolarHBondContact O-CA 3.45Å; F54-L82 HydrophobicContact CD1-CB 4.47Å; F54-L82 PolarHBondContact N-O 2.9Å; F54-L82 PolarHBondContact O-N 2.84Å; F54-M84 HydrophobicContact CB-CB 3.52Å; F54-M84 HydrophobicContact CB-CE 4.49Å; F54-M84 HydrophobicContact CB-CG 4.43Å; F54-M84 HydrophobicContact CD1-CE 3.7Å; F54-M84 HydrophobicContact CD2-CB 4Å; F54-M84 HydrophobicContact CD2-CE 4.25Å; F54-M84 HydrophobicContact CD2-CG 4.02Å; F54-M84 HydrophobicContact CE1-CE 3.89Å; F54-M84 HydrophobicContact CE2-CE 4.4Å; F54-M84 HydrophobicContact CG-CB 3.84Å; F54-M84 HydrophobicContact CG-CE 3.89Å; F54-M84 HydrophobicContact CG-CG 4.23Å; F54-M84 HydrophobicContact CZ-CE 4.23Å; F54-F90 HydrophobicContact CE2-CB 4.13Å; F54-F90 HydrophobicContact CE2-CD1 4.24Å; F54-F90 HydrophobicContact CE2-CG 4.26Å; F54-F90 HydrophobicContact CZ-CB 4.06Å; F54-F90 HydrophobicContact CZ-CD1 4.29Å; F54-F90 HydrophobicContact CZ-CD2 4.41Å; F54-F90 HydrophobicContact CZ-CG 4.02Å; F54-L99 HydrophobicContact CE1-CD1 3.82Å; F54-L99 HydrophobicContact CE1-CD2 3.93Å; F54-L99 HydrophobicContact CZ-CD1 3.94Å; F54-V106 HydrophobicContact CE2-CB 3.64Å; F54-V106 HydrophobicContact CE2-CG1 4.15Å; F54-V106 HydrophobicContact CE2-CG2 4.03Å; F54-V106 HydrophobicContact CZ-CB 3.8Å; F54-V106 HydrophobicContact CZ-CG1 3.82Å; F54-W107 CarbonylContact C-O 3.5Å; F54-W107 VanDerWaalsContact CA-O 3.23Å; F54-W107 WeakPolarHBondContact CA-O 3.41Å; F54-Y108 HydrophobicContact CD2-CD1 4.09Å; F54-Y108 HydrophobicContact CD2-CD2 4.04Å; F54-Y108 AromaticContact CD2-CE1 3.75Å; F54-Y108 HydrophobicContact CD2-CE1 3.75Å; F54-Y108 AromaticContact CD2-CE2 3.68Å; F54-Y108 HydrophobicContact CD2-CE2 3.68Å; F54-Y108 HydrophobicContact CD2-CG 4.23Å; F54-Y108 AromaticContact CD2-CZ 3.51Å; F54-Y108 HydrophobicContact CE2-CD2 4.26Å; F54-Y108 HydrophobicContact CE2-CE1 4.28Å; F54-Y108 AromaticContact CE2-CE2 3.57Å; F54-Y108 HydrophobicContact CE2-CE2 3.57Å; F54-Y108 AromaticContact CE2-CZ 3.57Å
55	R	98.5	Very high	97.8	Very high	25 Å²	25	50.7 Å²	50.7	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	127.4	169	-176.4	166.5	63.5	-139.1	-2.5	111	W70 L75 S78 G79 P80 W107	R55-W70 HydrophobicContact CG-CH2 4.28Å; R55-W70 HydrophobicContact CG-CZ3 4.09Å; R55-W70 VanDerWaalsContact NE-CE3 3.31Å; R55-W70 VanDerWaalsContact NE-CH2 3.26Å; R55-W70 VanDerWaalsContact NH2-CE2 3.32Å; R55-L75 HydrophobicContact CB-CD2 4.11Å; R55-L75 PolarHBondContact NH1-O 2.86Å; R55-S78 PolarHBondContact NH1-O 2.76Å; R55-S78 PolarHBondContact NH1-OG 2.9Å; R55-S78 PolarHBondContact NH2-OG 3.16Å; R55-G79 VanDerWaalsContact NH1-N 3.18Å; R55-G79 PolarHBondContact NH1-O 3.02Å; R55-P80 WeakPolarHBondContact CD-O 3.47Å; R55-W107 PolarHBondContact N-O 3.45Å; R55-W107 WeakPolarHBondContact O-CB 3.38Å; R55-W107 PolarHBondContact O-N 3.39Å
56	A	98.6	Very high	97.8	Very high	9 Å²	9	51.3 Å²	51.3	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.7	167.6	0	0	0	0	0	110.5	F54 F58 L99 F102 V106	F54-A56 HydrophobicContact CE1-CB 4.2Å; F54-A56 HydrophobicContact CZ-CB 4.3Å; A56-F58 HydrophobicContact CB-CD2 4.04Å; A56-F58 HydrophobicContact CB-CE1 4.48Å; A56-F58 HydrophobicContact CB-CE2 3.39Å; A56-F58 HydrophobicContact CB-CZ 3.64Å; A56-F58 WeakPolarHBondContact O-CD2 3.49Å; A56-F58 PolarHBondContact O-N 2.83Å; A56-L99 HydrophobicContact CB-CD1 3.74Å; A56-F102 HydrophobicContact CB-CD1 4.23Å; A56-F102 HydrophobicContact CB-CE1 4.1Å; A56-F102 HydrophobicContact CB-CE2 4.49Å; A56-F102 HydrophobicContact CB-CG 4.48Å; A56-F102 HydrophobicContact CB-CZ 4.22Å; A56-V106 HydrophobicContact CB-CG1 3.82Å
57	D	98.3	Very high	97.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.271	C	S	.	.			trans	-86.1	98	179.4	-171.8	-6.1	0	0	0	111	S59 R62 L63 Q64 G65 W70 F102 W105	D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 VanDerWaalsContact OD1-CB 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.8Å; D57-S59 PolarHBondContact OD1-OG 2.68Å; D57-S59 VanDerWaalsContact OD1-OG 3.13Å; D57-R62 WeakPolarHBondContact O-CD 3.16Å; D57-L63 PolarHBondContact OD2-N 2.89Å; D57-Q64 WeakPolarHBondContact OD2-CA 3.3Å; D57-Q64 PolarHBondContact OD2-N 3.09Å; D57-G65 PolarHBondContact OD2-N 3.17Å; D57-W70 HydrophobicContact CB-CH2 4.09Å; D57-W70 HydrophobicContact CB-CZ3 4.03Å; D57-F102 VanDerWaalsContact O-CE2 3.27Å; D57-F102 WeakPolarHBondContact O-CE2 3.33Å; D57-F102 WeakPolarHBondContact O-CZ 3.36Å; D57-W105 HydrophobicContact CB-CB 4.48Å; D57-W105 WeakPolarHBondContact CB-O 3.4Å; D57-W105 PolarHBondContact N-O 2.94Å
58	F	97.2	Very high	97.8	Very high	60 Å²	60	55.8 Å²	55.8	26%	0.263	27%	0.273	S	S	.	.			trans	-91.7	11.4	179.9	-64.2	-81.8	0	0	0	113.7	A56 R62 R98 L99 F102	A56-F58 HydrophobicContact CB-CD2 4.04Å; A56-F58 HydrophobicContact CB-CE1 4.48Å; A56-F58 HydrophobicContact CB-CE2 3.39Å; A56-F58 HydrophobicContact CB-CZ 3.64Å; A56-F58 WeakPolarHBondContact O-CD2 3.49Å; A56-F58 PolarHBondContact O-N 2.83Å; F58-R62 PolarHBondContact O-NH1 2.88Å; F58-R98 HydrophobicContact CD1-CG 3.91Å; F58-R98 HydrophobicContact CE1-CG 3.2Å; F58-R98 VanDerWaalsContact CG-CZ 3.43Å; F58-R98 VanDerWaalsContact CG-NH2 3.3Å; F58-R98 HydrophobicContact CZ-CG 3.55Å; F58-L99 HydrophobicContact CZ-CD1 4.16Å; F58-F102 AromaticContact CD1-CD2 3.59Å; F58-F102 HydrophobicContact CD1-CD2 3.59Å; F58-F102 AromaticContact CD1-CE2 3.68Å; F58-F102 HydrophobicContact CD1-CE2 3.68Å; F58-F102 HydrophobicContact CE1-CB 4.3Å; F58-F102 AromaticContact CE1-CD2 3.22Å; F58-F102 HydrophobicContact CE1-CD2 3.22Å; F58-F102 AromaticContact CE1-CE2 3.75Å; F58-F102 HydrophobicContact CE1-CE2 3.75Å; F58-F102 AromaticContact CE1-CG 3.99Å; F58-F102 HydrophobicContact CE1-CG 3.99Å; F58-F102 HydrophobicContact CG-CE2 4.27Å; F58-F102 AromaticContact CZ-CD2 4Å; F58-F102 HydrophobicContact CZ-CD2 4Å; F58-F102 HydrophobicContact CZ-CE2 4.45Å; F58-F102 HydrophobicContact CZ-CG 4.43Å
59	S	97.1	Very high	97.8	Very high	20 Å²	20	58.8 Å²	58.8	14%	0.14	29%	0.287	C	S	.	.	S	Bend	trans	-57.9	151.3	173.8	78.7	0	0	0	0	110.8	D57 N61 R62 L63 Q64	D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 VanDerWaalsContact OD1-CB 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.8Å; D57-S59 PolarHBondContact OD1-OG 2.68Å; D57-S59 VanDerWaalsContact OD1-OG 3.13Å; S59-N61 PolarHBondContact O-N 2.82Å; S59-N61 VanDerWaalsContact O-N 3.15Å; S59-N61 PolarHBondContact OG-OD1 3.28Å; S59-R62 WeakPolarHBondContact O-CD 3.11Å; S59-R62 PolarHBondContact O-N 3.08Å; S59-R62 PolarHBondContact O-NH1 2.9Å; S59-R62 WeakPolarHBondContact OG-CA 3.46Å; S59-R62 PolarHBondContact OG-N 2.83Å; S59-R62 VanDerWaalsContact OG-N 3.08Å; S59-L63 PolarHBondContact OG-N 2.77Å; S59-Q64 VanDerWaalsContact CB-CB 3.49Å; S59-Q64 PolarHBondContact OG-N 2.91Å
60	E	93.6	Very high	97.8	Very high	188 Å²	188	56.8 Å²	56.8	88%	0.879	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.8	-175	-66.9	-170	162.8	0	0	113
61	N	94.2	Very high	97.8	Very high	81 Å²	81	57 Å²	57	43%	0.433	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.1	177.8	67.6	0.3	0	0	0	114.4	S59 L63 E67	S59-N61 PolarHBondContact O-N 2.82Å; S59-N61 VanDerWaalsContact O-N 3.15Å; S59-N61 PolarHBondContact OG-OD1 3.28Å; N61-L63 WeakPolarHBondContact O-CG 3.25Å; N61-L63 PolarHBondContact O-N 3.06Å; N61-L63 PolarHBondContact OD1-N 3.25Å; N61-E67 PolarHBondContact ND2-OE1 3.1Å
62	R	97.1	Very high	97.7	Very high	60 Å²	60	59.4 Å²	59.4	23%	0.226	27%	0.268	C	S	.	.	S	Bend	trans	62.5	16.7	-175.9	-53	-66.2	-173.6	-97.6	-3.8	115.1	D57 F58 S59 I103	D57-R62 WeakPolarHBondContact O-CD 3.16Å; F58-R62 PolarHBondContact O-NH1 2.88Å; S59-R62 WeakPolarHBondContact O-CD 3.11Å; S59-R62 PolarHBondContact O-N 3.08Å; S59-R62 PolarHBondContact O-NH1 2.9Å; S59-R62 WeakPolarHBondContact OG-CA 3.46Å; S59-R62 PolarHBondContact OG-N 2.83Å; S59-R62 VanDerWaalsContact OG-N 3.08Å; R62-I103 PolarHBondContact NE-O 2.82Å
63	L	98.1	Very high	97.6	Very high	72 Å²	72	63.4 Å²	63.4	38%	0.377	29%	0.286	S	S	.	.			trans	-119.7	5.4	-173	-65.1	175.2	0	0	0	114.2	D57 S59 N61 G65 F66 E67	D57-L63 PolarHBondContact OD2-N 2.89Å; S59-L63 PolarHBondContact OG-N 2.77Å; N61-L63 WeakPolarHBondContact O-CG 3.25Å; N61-L63 PolarHBondContact O-N 3.06Å; N61-L63 PolarHBondContact OD1-N 3.25Å; L63-G65 PolarHBondContact O-N 3.45Å; L63-G65 VanDerWaalsContact O-N 3.12Å; L63-F66 HydrophobicContact CD2-CD2 4.17Å; L63-F66 PolarHBondContact O-N 3.25Å; L63-E67 WeakPolarHBondContact O-CG 3.34Å; L63-E67 PolarHBondContact O-N 2.8Å
64	Q	98.2	Very high	97.6	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-55.5	-35.2	-178.8	176.8	174	73.6	0	0	112	D57 S59 F66 E67 Q68 W70	D57-Q64 WeakPolarHBondContact OD2-CA 3.3Å; D57-Q64 PolarHBondContact OD2-N 3.09Å; S59-Q64 VanDerWaalsContact CB-CB 3.49Å; S59-Q64 PolarHBondContact OG-N 2.91Å; Q64-F66 VanDerWaalsContact C-N 3.3Å; Q64-F66 PolarHBondContact O-N 3Å; Q64-E67 PolarHBondContact O-N 3.16Å; Q64-Q68 HydrophobicContact CG-CG 4.09Å; Q64-Q68 WeakPolarHBondContact O-CB 3.4Å; Q64-Q68 PolarHBondContact O-N 3.12Å; Q64-W70 HydrophobicContact CB-CZ2 4.44Å; Q64-W70 HydrophobicContact CG-CZ2 3.94Å
65	G	98.2	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-31.2	178.6	0	0	0	0	0	114.8	D57 L63 Q69 W70	D57-G65 PolarHBondContact OD2-N 3.17Å; L63-G65 PolarHBondContact O-N 3.45Å; L63-G65 VanDerWaalsContact O-N 3.12Å; G65-Q69 WeakPolarHBondContact O-CA 3.38Å; G65-Q69 PolarHBondContact O-N 2.64Å; G65-W70 PolarHBondContact O-N 3.15Å
66	F	98.4	Very high	97.5	Very high	55 Å²	55	65.4 Å²	65.4	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-81.1	-42.8	172.7	-66	-84.6	0	0	0	111.5	L63 Q64 Q68 Q69 W105 W107 W140 A177	L63-F66 HydrophobicContact CD2-CD2 4.17Å; L63-F66 PolarHBondContact O-N 3.25Å; Q64-F66 VanDerWaalsContact C-N 3.3Å; Q64-F66 PolarHBondContact O-N 3Å; F66-Q68 VanDerWaalsContact C-N 3.31Å; F66-Q68 PolarHBondContact O-N 3.17Å; F66-Q69 WeakPolarHBondContact O-CG 3.3Å; F66-Q69 PolarHBondContact O-N 3.24Å; F66-W105 HydrophobicContact CE2-CB 4.36Å; F66-W105 AromaticContact CE2-CD1 3.89Å; F66-W105 AromaticContact CE2-CD2 3.46Å; F66-W105 HydrophobicContact CE2-CD2 3.46Å; F66-W105 VanDerWaalsContact CE2-CD2 3.46Å; F66-W105 AromaticContact CE2-CE2 3.52Å; F66-W105 AromaticContact CE2-CE3 3.92Å; F66-W105 HydrophobicContact CE2-CE3 3.92Å; F66-W105 AromaticContact CE2-CG 3.68Å; F66-W105 HydrophobicContact CE2-CG 3.68Å; F66-W105 HydrophobicContact CE2-CH2 4.37Å; F66-W105 HydrophobicContact CE2-CZ2 4Å; F66-W105 HydrophobicContact CE2-CZ3 4.36Å; F66-W105 AromaticContact CE2-NE1 3.77Å; F66-W105 AromaticContact CZ-CD2 3.85Å; F66-W105 HydrophobicContact CZ-CD2 3.85Å; F66-W105 AromaticContact CZ-CE2 3.9Å; F66-W105 AromaticContact CZ-CE3 3.84Å; F66-W105 HydrophobicContact CZ-CE3 3.84Å; F66-W105 HydrophobicContact CZ-CG 4.49Å; F66-W105 AromaticContact CZ-CH2 3.9Å; F66-W105 HydrophobicContact CZ-CH2 3.9Å; F66-W105 AromaticContact CZ-CZ2 3.96Å; F66-W105 HydrophobicContact CZ-CZ2 3.96Å; F66-W105 AromaticContact CZ-CZ3 3.88Å; F66-W105 HydrophobicContact CZ-CZ3 3.88Å; F66-W107 HydrophobicContact CD1-CH2 4.12Å; F66-W107 HydrophobicContact CD1-CZ2 4.33Å; F66-W107 HydrophobicContact CD2-CH2 4.48Å; F66-W107 AromaticContact CD2-CZ2 3.89Å; F66-W107 HydrophobicContact CD2-CZ2 3.89Å; F66-W107 AromaticContact CE1-CH2 3.96Å; F66-W107 HydrophobicContact CE1-CH2 3.96Å; F66-W107 HydrophobicContact CE1-CZ2 4.21Å; F66-W107 HydrophobicContact CE2-CH2 4.29Å; F66-W107 AromaticContact CE2-CZ2 3.71Å; F66-W107 HydrophobicContact CE2-CZ2 3.71Å; F66-W107 HydrophobicContact CG-CH2 4.4Å; F66-W107 HydrophobicContact CG-CZ2 4.19Å; F66-W107 HydrophobicContact CZ-CH2 4.04Å; F66-W107 AromaticContact CZ-CZ2 3.9Å; F66-W107 HydrophobicContact CZ-CZ2 3.9Å; F66-W140 AromaticContact CE1-CH2 3.69Å; F66-W140 HydrophobicContact CE1-CH2 3.69Å; F66-W140 HydrophobicContact CE1-CZ2 4.04Å; F66-W140 HydrophobicContact CZ-CH2 4.29Å; F66-A177 HydrophobicContact CZ-CB 4.07Å
67	E	98.4	Very high	97.4	Very high	121 Å²	121	70.3 Å²	70.3	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-58.8	-41.2	178.7	-69.4	170.4	173.6	0	0	112.4	N61 L63 Q64	N61-E67 PolarHBondContact ND2-OE1 3.1Å; L63-E67 WeakPolarHBondContact O-CG 3.34Å; L63-E67 PolarHBondContact O-N 2.8Å; Q64-E67 PolarHBondContact O-N 3.16Å
68	Q	98.1	Very high	97.3	Very high	107 Å²	107	71.4 Å²	71.4	50%	0.5	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.9	177.5	-62.5	-178.7	-2.3	0	0	113.2	Q64 F66 W70	Q64-Q68 HydrophobicContact CG-CG 4.09Å; Q64-Q68 WeakPolarHBondContact O-CB 3.4Å; Q64-Q68 PolarHBondContact O-N 3.12Å; F66-Q68 VanDerWaalsContact C-N 3.31Å; F66-Q68 PolarHBondContact O-N 3.17Å; Q68-W70 PolarHBondContact O-N 2.83Å
69	Q	98.3	Very high	97.2	Very high	64 Å²	64	69.7 Å²	69.7	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	50.5	176.6	-51.3	-175	-57.8	0	0	113.2	G65 F66 Y71 R72	G65-Q69 WeakPolarHBondContact O-CA 3.38Å; G65-Q69 PolarHBondContact O-N 2.64Å; F66-Q69 WeakPolarHBondContact O-CG 3.3Å; F66-Q69 PolarHBondContact O-N 3.24Å; Q69-Y71 HydrophobicContact CB-CE1 4.04Å; Q69-Y71 HydrophobicContact CB-CE2 4.38Å; Q69-Y71 HydrophobicContact CG-CE1 4.47Å; Q69-Y71 PolarHBondContact O-N 3.22Å; Q69-R72 HydrophobicContact CB-CG 3.97Å; Q69-R72 VanDerWaalsContact CD-CZ 3.48Å; Q69-R72 WeakPolarHBondContact O-CB 3.28Å; Q69-R72 PolarHBondContact O-N 2.85Å; Q69-R72 VanDerWaalsContact OE1-NE 3.15Å
70	W	98.6	Very high	97.2	Very high	8 Å²	8	74.7 Å²	74.7	3%	0.03	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-52.2	-27.8	-175.9	-71.5	-7.8	0	0	0	113.8	R55 D57 Q64 G65 Q68 R72 L75 S78 W107	R55-W70 HydrophobicContact CG-CH2 4.28Å; R55-W70 HydrophobicContact CG-CZ3 4.09Å; R55-W70 VanDerWaalsContact NE-CE3 3.31Å; R55-W70 VanDerWaalsContact NE-CH2 3.26Å; R55-W70 VanDerWaalsContact NH2-CE2 3.32Å; D57-W70 HydrophobicContact CB-CH2 4.09Å; D57-W70 HydrophobicContact CB-CZ3 4.03Å; Q64-W70 HydrophobicContact CB-CZ2 4.44Å; Q64-W70 HydrophobicContact CG-CZ2 3.94Å; G65-W70 PolarHBondContact O-N 3.15Å; Q68-W70 PolarHBondContact O-N 2.83Å; W70-R72 VanDerWaalsContact C-N 3.29Å; W70-R72 PolarHBondContact O-N 2.94Å; W70-L75 HydrophobicContact CB-CD1 4.2Å; W70-L75 HydrophobicContact CE3-CD1 4.47Å; W70-S78 VanDerWaalsContact CD1-CB 3.49Å; W70-W107 AromaticContact CE3-CD1 3.62Å; W70-W107 HydrophobicContact CE3-CD2 4.01Å; W70-W107 AromaticContact CE3-CE2 3.82Å; W70-W107 AromaticContact CE3-CG 3.9Å; W70-W107 HydrophobicContact CE3-CG 3.9Å; W70-W107 AromaticContact CE3-NE1 3.54Å; W70-W107 AromaticContact CZ3-CD1 3.58Å; W70-W107 HydrophobicContact CZ3-CG 4.25Å; W70-W107 AromaticContact CZ3-NE1 3.64Å
71	Y	98	Very high	97.4	Very high	38 Å²	38	67.4 Å²	67.4	15%	0.149	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-67	-19.6	176.9	51.8	-90.5	0	0	0	114.9	Q69 Q73 W107 W140 G143 R173	Q69-Y71 HydrophobicContact CB-CE1 4.04Å; Q69-Y71 HydrophobicContact CB-CE2 4.38Å; Q69-Y71 HydrophobicContact CG-CE1 4.47Å; Q69-Y71 PolarHBondContact O-N 3.22Å; Y71-Q73 VanDerWaalsContact C-N 3.34Å; Y71-Q73 PolarHBondContact O-N 3.48Å; Y71-W107 AromaticContact CD1-CH2 3.84Å; Y71-W107 HydrophobicContact CD1-CH2 3.84Å; Y71-W107 AromaticContact CD1-CZ3 3.91Å; Y71-W107 HydrophobicContact CD1-CZ3 3.91Å; Y71-W140 HydrophobicContact CD1-CD2 4.4Å; Y71-W140 AromaticContact CD1-CE2 3.81Å; Y71-W140 HydrophobicContact CD1-CH2 4.27Å; Y71-W140 AromaticContact CD1-CZ2 3.74Å; Y71-W140 HydrophobicContact CD1-CZ2 3.74Å; Y71-W140 AromaticContact CD2-CD1 3.51Å; Y71-W140 HydrophobicContact CD2-CD2 4.34Å; Y71-W140 AromaticContact CD2-CE2 3.93Å; Y71-W140 HydrophobicContact CD2-CG 4.12Å; Y71-W140 AromaticContact CD2-NE1 3.41Å; Y71-W140 HydrophobicContact CE1-CZ2 4.02Å; Y71-W140 AromaticContact CE2-NE1 3.67Å; Y71-W140 AromaticContact CG-CD1 3.87Å; Y71-W140 AromaticContact CG-CD2 3.92Å; Y71-W140 HydrophobicContact CG-CD2 3.92Å; Y71-W140 AromaticContact CG-CE2 3.63Å; Y71-W140 HydrophobicContact CG-CG 4.08Å; Y71-W140 HydrophobicContact CG-CZ2 4.07Å; Y71-W140 AromaticContact CG-NE1 3.63Å; Y71-G143 WeakPolarHBondContact O-CA 3.5Å; Y71-R173 PolarHBondContact O-NH1 2.58Å; Y71-R173 PolarHBondContact O-NH2 2.82Å
72	R	97.4	Very high	97.6	Very high	161 Å²	161	67.1 Å²	67.1	61%	0.608	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-71.8	-24.1	-175.7	-75.8	-171.4	169.8	-171.5	-2.3	114.4	Q69 W70 R173	Q69-R72 HydrophobicContact CB-CG 3.97Å; Q69-R72 VanDerWaalsContact CD-CZ 3.48Å; Q69-R72 WeakPolarHBondContact O-CB 3.28Å; Q69-R72 PolarHBondContact O-N 2.85Å; Q69-R72 VanDerWaalsContact OE1-NE 3.15Å; W70-R72 VanDerWaalsContact C-N 3.29Å; W70-R72 PolarHBondContact O-N 2.94Å; R72-R173 PolarHBondContact O-NH2 3.25Å
73	Q	95.9	Very high	97.7	Very high	85 Å²	85	68 Å²	68	40%	0.397	33%	0.333	S	S	.	.	S	Bend	trans	-135.1	168.3	-179.9	66.6	-170.3	6.6	0	0	109.5	Y71 L75 E77 R173	Y71-Q73 VanDerWaalsContact C-N 3.34Å; Y71-Q73 PolarHBondContact O-N 3.48Å; Q73-L75 PolarHBondContact O-N 2.78Å; Q73-E77 HydrophobicContact CG-CB 4.25Å; Q73-R173 PolarHBondContact O-NH1 2.86Å
74	P	97.6	Very high	97.7	Very high	23 Å²	23	64.6 Å²	64.6	15%	0.149	32%	0.315	C	S	.	.			trans	-51.9	135.5	174.8	-27.8	36.7	0	0	0	112.2	R76 E77 E109	P74-R76 HydrophobicContact CB-CG 4.16Å; P74-R76 PolarHBondContact O-N 3.33Å; P74-R76 VanDerWaalsContact O-N 3.1Å; P74-E77 HydrophobicContact CB-CG 4.25Å; P74-E77 WeakPolarHBondContact CG-OE1 3.23Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 2.88Å; P74-E109 WeakPolarHBondContact CA-OE1 3.5Å
75	L	98.1	Very high	97.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-58.1	-32.7	-172.5	-166.8	71.5	0	0	0	112.3	R53 R55 W70 Q73 E77 S78 T81 W107 E109	R53-L75 HydrophobicContact CB-CD2 4.39Å; R55-L75 HydrophobicContact CB-CD2 4.11Å; R55-L75 PolarHBondContact NH1-O 2.86Å; W70-L75 HydrophobicContact CB-CD1 4.2Å; W70-L75 HydrophobicContact CE3-CD1 4.47Å; Q73-L75 PolarHBondContact O-N 2.78Å; L75-E77 PolarHBondContact O-N 2.84Å; L75-S78 PolarHBondContact O-N 2.87Å; L75-S78 PolarHBondContact O-OG 2.7Å; L75-T81 HydrophobicContact CB-CG2 4.23Å; L75-T81 HydrophobicContact CD2-CG2 3.88Å; L75-T81 HydrophobicContact CG-CG2 3.83Å; L75-W107 HydrophobicContact CD1-CB 4Å; L75-W107 HydrophobicContact CD1-CG 4.5Å; L75-W107 HydrophobicContact CD2-CB 4.13Å; L75-E109 HydrophobicContact CB-CB 4.02Å; L75-E109 WeakPolarHBondContact CB-OE1 3.09Å; L75-E109 HydrophobicContact CD2-CB 4.27Å; L75-E109 VanDerWaalsContact N-CD 3.35Å; L75-E109 PolarHBondContact N-OE1 3.02Å; L75-E109 PolarHBondContact N-OE2 3.44Å
76	R	97.3	Very high	97.8	Very high	149 Å²	149	63.3 Å²	63.3	56%	0.562	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.8	175.2	68.3	-177.7	179.6	-160.7	-6.9	114	P74 G79	P74-R76 HydrophobicContact CB-CG 4.16Å; P74-R76 PolarHBondContact O-N 3.33Å; P74-R76 VanDerWaalsContact O-N 3.1Å; R76-G79 CarbonylContact C-O 3.51Å
77	E	97.4	Very high	97.8	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-82.6	-20.1	-179.5	-64.2	176.1	-160.7	0	0	111.8	Q73 P74 L75 G79	Q73-E77 HydrophobicContact CG-CB 4.25Å; P74-E77 HydrophobicContact CB-CG 4.25Å; P74-E77 WeakPolarHBondContact CG-OE1 3.23Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 2.88Å; L75-E77 PolarHBondContact O-N 2.84Å; E77-G79 VanDerWaalsContact C-N 3.34Å
78	S	95.4	Very high	97.8	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-88.9	0.8	173.1	37.7	0	0	0	0	113.4	R55 W70 L75	R55-S78 PolarHBondContact NH1-O 2.76Å; R55-S78 PolarHBondContact NH1-OG 2.9Å; R55-S78 PolarHBondContact NH2-OG 3.16Å; W70-S78 VanDerWaalsContact CD1-CB 3.49Å; L75-S78 PolarHBondContact O-N 2.87Å; L75-S78 PolarHBondContact O-OG 2.7Å
79	G	95.9	Very high	97.8	Very high	24 Å²	24	51.1 Å²	51.1	25%	0.247	26%	0.259	C	S	.	.	S	Bend	trans	141.9	-179.7	175.2	0	0	0	0	0	113.9	R55 R76 E77	R55-G79 VanDerWaalsContact NH1-N 3.18Å; R55-G79 PolarHBondContact NH1-O 3.02Å; R76-G79 CarbonylContact C-O 3.51Å; E77-G79 VanDerWaalsContact C-N 3.34Å
80	P	97	Very high	97.8	Very high	124 Å²	124	48.1 Å²	48.1	81%	0.805	25%	0.245	S	C	*	.			trans	-55.8	143	179.4	-24.4	34.3	0	0	0	112.7	R55	R55-P80 WeakPolarHBondContact CD-O 3.47Å
81	T	98.1	Very high	97.9	Very high	36 Å²	36	47.8 Å²	47.8	22%	0.221	24%	0.244	C	C	.	.			trans	-131.3	158.7	178.1	54.1	0	0	0	0	110.1	F54 L75	F54-T81 CarbonylContact O-C 3.57Å; F54-T81 WeakPolarHBondContact O-CA 3.45Å; L75-T81 HydrophobicContact CB-CG2 4.23Å; L75-T81 HydrophobicContact CD2-CG2 3.88Å; L75-T81 HydrophobicContact CG-CG2 3.83Å
82	L	97.9	Very high	97.9	Very high	74 Å²	74	47.7 Å²	47.7	39%	0.387	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	165.1	170.5	-58.5	175.2	0	0	0	109.2	R53 F54	R53-L82 CarbonylContact C-O 3.55Å; R53-L82 WeakPolarHBondContact CA-O 3.35Å; F54-L82 HydrophobicContact CD1-CB 4.47Å; F54-L82 PolarHBondContact N-O 2.9Å; F54-L82 PolarHBondContact O-N 2.84Å
83	D	98.6	Very high	98	Very high	79 Å²	79	42.2 Å²	42.2	42%	0.422	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.5	165.9	-66	-32.6	0	0	0	109.1	L51 W52 R53	L51-D83 HydrophobicContact CB-CB 4.49Å; L51-D83 HydrophobicContact CD1-CB 4.37Å; L51-D83 HydrophobicContact CD2-CB 4.42Å; W52-D83 WeakPolarHBondContact O-CA 3.37Å; R53-D83 IonicContact CZ-OD1 2.88Å; R53-D83 IonicContact NE-OD1 3.27Å; R53-D83 IonicContact NH1-OD1 3.82Å; R53-D83 PolarHBondContact NH1-OD1 2.91Å; R53-D83 IonicContact NH1-OD2 3.7Å
84	M	98.8	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.1	-180	-166.5	63.1	60.7	0	0	110	W52 F54 F90 I93 T94 L99 Y108	W52-M84 PolarHBondContact N-O 3.39Å; W52-M84 PolarHBondContact O-N 2.89Å; F54-M84 HydrophobicContact CB-CB 3.52Å; F54-M84 HydrophobicContact CB-CE 4.49Å; F54-M84 HydrophobicContact CB-CG 4.43Å; F54-M84 HydrophobicContact CD1-CE 3.7Å; F54-M84 HydrophobicContact CD2-CB 4Å; F54-M84 HydrophobicContact CD2-CE 4.25Å; F54-M84 HydrophobicContact CD2-CG 4.02Å; F54-M84 HydrophobicContact CE1-CE 3.89Å; F54-M84 HydrophobicContact CE2-CE 4.4Å; F54-M84 HydrophobicContact CG-CB 3.84Å; F54-M84 HydrophobicContact CG-CE 3.89Å; F54-M84 HydrophobicContact CG-CG 4.23Å; F54-M84 HydrophobicContact CZ-CE 4.23Å; M84-F90 HydrophobicContact CE-CB 3.82Å; M84-F90 HydrophobicContact CG-CB 4.28Å; M84-F90 HydrophobicContact SD-CB 3.71Å; M84-I93 HydrophobicContact CE-CB 4.48Å; M84-I93 HydrophobicContact CE-CG2 4.43Å; M84-I93 HydrophobicContact SD-CB 3.79Å; M84-I93 HydrophobicContact SD-CG1 3.76Å; M84-I93 HydrophobicContact SD-CG2 3.78Å; M84-T94 HydrophobicContact CE-CG2 4.32Å; M84-L99 HydrophobicContact CE-CD2 4.33Å; M84-Y108 HydrophobicContact CB-CD1 4.44Å; M84-Y108 HydrophobicContact CB-CE1 3.84Å; M84-Y108 HydrophobicContact CG-CE1 3.52Å
85	P	98.8	Very high	98.1	Very high	41 Å²	41	47.8 Å²	47.8	27%	0.266	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.7	178.7	28.5	-32.4	0	0	0	111.4	G50 L51 S88 I93	G50-P85 WeakPolarHBondContact O-CA 3.44Å; L51-P85 HydrophobicContact CD2-CB 4.5Å; P85-S88 VanDerWaalsContact O-CB 3.24Å; P85-S88 WeakPolarHBondContact O-CB 3.41Å; P85-I93 HydrophobicContact CG-CD1 3.99Å; P85-I93 HydrophobicContact CG-CG1 4.32Å
86	V	98.8	Very high	98.1	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.4	168.5	178.5	0	0	0	0	107.4	D49 G50 W52 Y108 L220 V224	D49-V86 CarbonylContact C-O 3.58Å; D49-V86 WeakPolarHBondContact CA-O 3.36Å; D49-V86 WeakPolarHBondContact CB-O 3.38Å; G50-V86 PolarHBondContact N-O 3.03Å; G50-V86 PolarHBondContact O-N 2.72Å; W52-V86 HydrophobicContact CB-CG2 4.29Å; W52-V86 HydrophobicContact CD2-CG2 4.28Å; W52-V86 HydrophobicContact CG-CG2 3.75Å; V86-Y108 HydrophobicContact CG2-CD1 4.08Å; V86-Y108 HydrophobicContact CG2-CE1 4.1Å; V86-L220 HydrophobicContact CG1-CB 3.81Å; V86-L220 HydrophobicContact CG1-CD1 4.28Å; V86-L220 HydrophobicContact CG2-CB 4.01Å; V86-L220 HydrophobicContact CG2-CD1 3.8Å; V86-V224 HydrophobicContact CG1-CG2 4.2Å
87	P	98.7	Very high	98	Very high	25 Å²	25	48 Å²	48	16%	0.162	27%	0.274	C	S	.	.	S	Bend	cis	-74.9	132.4	0.2	28.2	-34.1	0	0	0	114.2	L220 H221 F364	P87-L220 WeakPolarHBondContact CA-O 3.37Å; P87-H221 VanDerWaalsContact CB-O 3.23Å; P87-H221 WeakPolarHBondContact CB-O 3.47Å; P87-F364 HydrophobicContact CB-CB 4.23Å; P87-F364 HydrophobicContact CG-CB 4.2Å
88	S	98.8	Very high	98	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	154.3	170.5	-165.2	0	0	0	0	112.4	P85 I93 L220 R360	P85-S88 VanDerWaalsContact O-CB 3.24Å; P85-S88 WeakPolarHBondContact O-CB 3.41Å; S88-I93 WeakPolarHBondContact OG-CD1 3.48Å; S88-L220 PolarHBondContact N-O 2.86Å; S88-L220 CarbonylContact O-C 3.58Å; S88-L220 VanDerWaalsContact O-O 3.08Å; S88-R360 WeakPolarHBondContact OG-CA 3.32Å; S88-R360 PolarHBondContact OG-O 2.85Å
89	S	98.8	Very high	98.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.3	154	-46.6	0	0	0	0	110	I93 Y217 A218 H221 R360 K362	S89-I93 WeakPolarHBondContact O-CG1 3.36Å; S89-Y217 WeakPolarHBondContact OG-CB 3.36Å; S89-A218 VanDerWaalsContact CA-O 3.28Å; S89-A218 WeakPolarHBondContact CA-O 3.41Å; S89-H221 PolarHBondContact OG-CE1 2.91Å; S89-H221 PolarHBondContact OG-ND1 2.87Å; S89-R360 WeakPolarHBondContact CB-O 3.37Å; S89-R360 PolarHBondContact N-O 2.99Å; S89-R360 PolarHBondContact OG-O 3.17Å; S89-K362 PolarHBondContact OG-N 2.86Å
90	F	98.8	Very high	98.2	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-80.7	-20.1	179.7	62.5	-104.7	0	0	0	113.5	F54 M84 D92 I93 L99 F102 V106 A218	F54-F90 HydrophobicContact CE2-CB 4.13Å; F54-F90 HydrophobicContact CE2-CD1 4.24Å; F54-F90 HydrophobicContact CE2-CG 4.26Å; F54-F90 HydrophobicContact CZ-CB 4.06Å; F54-F90 HydrophobicContact CZ-CD1 4.29Å; F54-F90 HydrophobicContact CZ-CD2 4.41Å; F54-F90 HydrophobicContact CZ-CG 4.02Å; M84-F90 HydrophobicContact CE-CB 3.82Å; M84-F90 HydrophobicContact CG-CB 4.28Å; M84-F90 HydrophobicContact SD-CB 3.71Å; F90-D92 VanDerWaalsContact C-N 3.35Å; F90-D92 PolarHBondContact O-N 2.94Å; F90-I93 PolarHBondContact O-N 2.86Å; F90-L99 HydrophobicContact CD2-CD1 3.84Å; F90-L99 HydrophobicContact CD2-CG 3.89Å; F90-L99 HydrophobicContact CE2-CD1 3.98Å; F90-L99 HydrophobicContact CE2-CG 4.31Å; F90-L99 WeakPolarHBondContact CE2-O 3.24Å; F90-F102 HydrophobicContact CZ-CD1 4.48Å; F90-V106 HydrophobicContact CD1-CG1 4.42Å; F90-V106 HydrophobicContact CD1-CG2 4.21Å; F90-V106 HydrophobicContact CE1-CB 4.46Å; F90-V106 HydrophobicContact CE1-CG1 3.84Å; F90-V106 HydrophobicContact CE1-CG2 3.88Å; F90-V106 HydrophobicContact CZ-CG1 3.96Å; F90-A218 HydrophobicContact CD1-CB 4.34Å; F90-A218 WeakPolarHBondContact CD1-O 3.37Å; F90-A218 HydrophobicContact CE1-CB 3.46Å; F90-A218 VanDerWaalsContact CE1-CB 3.46Å; F90-A218 WeakPolarHBondContact CE1-O 3.45Å; F90-A218 HydrophobicContact CZ-CB 3.84Å; F90-A218 PolarHBondContact N-O 2.8Å
91	N	98.8	Very high	98.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.011	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.1	-159.9	-53.2	77.6	0	0	0	113.8	R100 F215 Y217 A218	N91-R100 HydrophobicContact CB-CG 4.23Å; N91-R100 PolarHBondContact ND2-O 2.95Å; N91-R100 VanDerWaalsContact O-CA 3.31Å; N91-R100 WeakPolarHBondContact O-CA 3.43Å; N91-R100 VanDerWaalsContact O-CB 3.26Å; N91-R100 WeakPolarHBondContact O-CB 3.44Å; N91-R100 WeakPolarHBondContact O-CG 3.24Å; N91-F215 HydrophobicContact CB-CE1 3.81Å; N91-F215 HydrophobicContact CB-CZ 4.5Å; N91-Y217 HydrophobicContact CB-CD1 3.79Å; N91-Y217 HydrophobicContact CB-CE1 3.97Å; N91-Y217 WeakPolarHBondContact OD1-CA 3.4Å; N91-Y217 WeakPolarHBondContact OD1-CD1 3.01Å; N91-A218 PolarHBondContact OD1-N 2.91Å; N91-A218 PolarHBondContact OD1-O 2.76Å
92	D	98.7	Very high	98.3	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	14.2	-175	-67.4	-25.3	0	0	0	113	F90 R100 Y217	F90-D92 VanDerWaalsContact C-N 3.35Å; F90-D92 PolarHBondContact O-N 2.94Å; D92-R100 WeakPolarHBondContact OD1-CD 3.5Å; D92-R100 IonicContact OD1-CZ 3.4Å; D92-R100 IonicContact OD1-NE 3.35Å; D92-R100 PolarHBondContact OD1-NE 2.85Å; D92-R100 IonicContact OD1-NH2 2.68Å; D92-Y217 VanDerWaalsContact OD2-CE1 3.26Å; D92-Y217 WeakPolarHBondContact OD2-CE1 3.42Å; D92-Y217 VanDerWaalsContact OD2-CZ 3.31Å; D92-Y217 PolarHBondContact OD2-OH 2.68Å
93	I	98.8	Very high	98.3	Very high	46 Å²	46	44.2 Å²	44.2	24%	0.236	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-30.5	178.4	-62.1	-58.6	0	0	0	112.4	M84 P85 S88 S89 F90 I359	M84-I93 HydrophobicContact CE-CB 4.48Å; M84-I93 HydrophobicContact CE-CG2 4.43Å; M84-I93 HydrophobicContact SD-CB 3.79Å; M84-I93 HydrophobicContact SD-CG1 3.76Å; M84-I93 HydrophobicContact SD-CG2 3.78Å; P85-I93 HydrophobicContact CG-CD1 3.99Å; P85-I93 HydrophobicContact CG-CG1 4.32Å; S88-I93 WeakPolarHBondContact OG-CD1 3.48Å; S89-I93 WeakPolarHBondContact O-CG1 3.36Å; F90-I93 PolarHBondContact O-N 2.86Å; I93-I359 HydrophobicContact CD1-CG2 3.79Å
94	T	98.5	Very high	98.3	Very high	34 Å²	34	40.6 Å²	40.6	21%	0.209	21%	0.207	C	C	.	.	S	Bend	trans	-112.1	168.3	-173.2	75.7	0	0	0	0	111.7	M84 E96 L99	M84-T94 HydrophobicContact CE-CG2 4.32Å; T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 PolarHBondContact OG1-N 2.96Å; T94-L99 HydrophobicContact CG2-CD2 3.72Å
95	Q	98.1	Very high	98.3	Very high	192 Å²	192	41.9 Å²	41.9	90%	0.897	21%	0.213	S	C	*	.	S	Bend	trans	-83.6	5.1	171.6	-51.5	-51.8	101.9	0	0	113	A97	Q95-A97 PolarHBondContact O-N 2.8Å
96	E	97.4	Very high	98.3	Very high	83 Å²	83	40 Å²	40	39%	0.388	20%	0.2	S	C	.	.			trans	-90.5	104.8	-173.9	-65.8	-174	-153.2	0	0	112.1	T94 R98 L99 R100	T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 PolarHBondContact OG1-N 2.96Å; E96-R98 PolarHBondContact O-N 2.82Å; E96-L99 HydrophobicContact CB-CB 3.93Å; E96-L99 PolarHBondContact O-N 2.86Å; E96-R100 PolarHBondContact O-N 2.92Å
97	A	96.3	Very high	98.3	Very high	70 Å²	70	39.9 Å²	39.9	58%	0.579	20%	0.199	S	C	*	.	H	α-helix	trans	-57.6	-32.6	175.2	0	0	0	0	0	113.1	Q95 L99 R100 N101	Q95-A97 PolarHBondContact O-N 2.8Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.92Å; A97-R100 PolarHBondContact O-N 3.41Å; A97-N101 PolarHBondContact O-N 2.77Å; A97-N101 PolarHBondContact O-ND2 3.38Å
98	R	96.6	Very high	98.3	Very high	151 Å²	151	38.7 Å²	38.7	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-61.7	-38.9	174.7	138.2	179.6	162.5	-179.2	-11	111.7	F58 E96 F102	F58-R98 HydrophobicContact CD1-CG 3.91Å; F58-R98 HydrophobicContact CE1-CG 3.2Å; F58-R98 VanDerWaalsContact CG-CZ 3.43Å; F58-R98 VanDerWaalsContact CG-NH2 3.3Å; F58-R98 HydrophobicContact CZ-CG 3.55Å; E96-R98 PolarHBondContact O-N 2.82Å; R98-F102 WeakPolarHBondContact O-CB 3.39Å; R98-F102 PolarHBondContact O-N 3.33Å
99	L	98.3	Very high	98.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-76.4	-42.5	178.6	-176.8	59.6	0	0	0	110.3	F54 A56 F58 M84 F90 T94 E96 A97 N101 F102	F54-L99 HydrophobicContact CE1-CD1 3.82Å; F54-L99 HydrophobicContact CE1-CD2 3.93Å; F54-L99 HydrophobicContact CZ-CD1 3.94Å; A56-L99 HydrophobicContact CB-CD1 3.74Å; F58-L99 HydrophobicContact CZ-CD1 4.16Å; M84-L99 HydrophobicContact CE-CD2 4.33Å; F90-L99 HydrophobicContact CD2-CD1 3.84Å; F90-L99 HydrophobicContact CD2-CG 3.89Å; F90-L99 HydrophobicContact CE2-CD1 3.98Å; F90-L99 HydrophobicContact CE2-CG 4.31Å; F90-L99 WeakPolarHBondContact CE2-O 3.24Å; T94-L99 HydrophobicContact CG2-CD2 3.72Å; E96-L99 HydrophobicContact CB-CB 3.93Å; E96-L99 PolarHBondContact O-N 2.86Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.92Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 3.1Å; L99-F102 HydrophobicContact CD1-CB 4.44Å; L99-F102 WeakPolarHBondContact O-CB 3.42Å; L99-F102 PolarHBondContact O-N 3.06Å
100	R	98.5	Very high	98.3	Very high	45 Å²	45	42 Å²	42	17%	0.17	20%	0.204	C	C	.	.	H	α-helix	trans	-52	-45.7	178.1	-173.8	179.3	-171.8	-75.2	-3.5	113.1	N91 D92 E96 A97 F215	N91-R100 HydrophobicContact CB-CG 4.23Å; N91-R100 PolarHBondContact ND2-O 2.95Å; N91-R100 VanDerWaalsContact O-CA 3.31Å; N91-R100 WeakPolarHBondContact O-CA 3.43Å; N91-R100 VanDerWaalsContact O-CB 3.26Å; N91-R100 WeakPolarHBondContact O-CB 3.44Å; N91-R100 WeakPolarHBondContact O-CG 3.24Å; D92-R100 WeakPolarHBondContact OD1-CD 3.5Å; D92-R100 IonicContact OD1-CZ 3.4Å; D92-R100 IonicContact OD1-NE 3.35Å; D92-R100 PolarHBondContact OD1-NE 2.85Å; D92-R100 IonicContact OD1-NH2 2.68Å; E96-R100 PolarHBondContact O-N 2.92Å; A97-R100 PolarHBondContact O-N 3.41Å; R100-F215 HydrophobicContact CG-CZ 4.34Å; R100-F215 VanDerWaalsContact NH1-CE2 3.3Å
101	N	97.2	Very high	98.2	Very high	83 Å²	83	46.7 Å²	46.7	44%	0.444	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	16.6	-177.6	-54.8	-44.4	0	0	0	112.8	A97 L99	A97-N101 PolarHBondContact O-N 2.77Å; A97-N101 PolarHBondContact O-ND2 3.38Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 3.1Å
102	F	98.4	Very high	98	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.039	23%	0.228	C	C	.	.			trans	-63.4	141.5	-177.3	176.4	-107.5	0	0	0	111.6	A56 D57 F58 F90 R98 L99 G104 W105 V106 N180	A56-F102 HydrophobicContact CB-CD1 4.23Å; A56-F102 HydrophobicContact CB-CE1 4.1Å; A56-F102 HydrophobicContact CB-CE2 4.49Å; A56-F102 HydrophobicContact CB-CG 4.48Å; A56-F102 HydrophobicContact CB-CZ 4.22Å; D57-F102 VanDerWaalsContact O-CE2 3.27Å; D57-F102 WeakPolarHBondContact O-CE2 3.33Å; D57-F102 WeakPolarHBondContact O-CZ 3.36Å; F58-F102 AromaticContact CD1-CD2 3.59Å; F58-F102 HydrophobicContact CD1-CD2 3.59Å; F58-F102 AromaticContact CD1-CE2 3.68Å; F58-F102 HydrophobicContact CD1-CE2 3.68Å; F58-F102 HydrophobicContact CE1-CB 4.3Å; F58-F102 AromaticContact CE1-CD2 3.22Å; F58-F102 HydrophobicContact CE1-CD2 3.22Å; F58-F102 AromaticContact CE1-CE2 3.75Å; F58-F102 HydrophobicContact CE1-CE2 3.75Å; F58-F102 AromaticContact CE1-CG 3.99Å; F58-F102 HydrophobicContact CE1-CG 3.99Å; F58-F102 HydrophobicContact CG-CE2 4.27Å; F58-F102 AromaticContact CZ-CD2 4Å; F58-F102 HydrophobicContact CZ-CD2 4Å; F58-F102 HydrophobicContact CZ-CE2 4.45Å; F58-F102 HydrophobicContact CZ-CG 4.43Å; F90-F102 HydrophobicContact CZ-CD1 4.48Å; R98-F102 WeakPolarHBondContact O-CB 3.39Å; R98-F102 PolarHBondContact O-N 3.33Å; L99-F102 HydrophobicContact CD1-CB 4.44Å; L99-F102 WeakPolarHBondContact O-CB 3.42Å; L99-F102 PolarHBondContact O-N 3.06Å; F102-G104 VanDerWaalsContact CE1-C 3.4Å; F102-W105 WeakPolarHBondContact CE1-O 3.37Å; F102-W105 WeakPolarHBondContact CZ-O 3.25Å; F102-V106 HydrophobicContact CD1-CG1 3.63Å; F102-V106 HydrophobicContact CE1-CG1 3.52Å; F102-N180 PolarHBondContact O-ND2 3.47Å
103	I	98.4	Very high	97.7	Very high	26 Å²	26	51 Å²	51	13%	0.133	25%	0.249	C	C	.	.			trans	-128.7	123.2	172.9	-58.6	156.5	0	0	0	107.5	R62 N180 T181 I192 F206 Q208	R62-I103 PolarHBondContact NE-O 2.82Å; I103-N180 WeakPolarHBondContact CA-OD1 3.46Å; I103-T181 WeakPolarHBondContact CG2-OG1 3.22Å; I103-I192 HydrophobicContact CG2-CD1 3.97Å; I103-F206 HydrophobicContact CB-CE2 3.9Å; I103-F206 HydrophobicContact CD1-CD2 4.28Å; I103-F206 HydrophobicContact CD1-CE2 3.96Å; I103-F206 HydrophobicContact CG2-CE2 3.98Å; I103-Q208 HydrophobicContact CD1-CB 3.52Å; I103-Q208 HydrophobicContact CG1-CB 4.1Å
104	G	98.4	Very high	97.5	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.021	24%	0.241	C	C	.	.	S	Bend	trans	138.7	-151.1	-179.6	0	0	0	0	0	111.9	F102 N179 N180	F102-G104 VanDerWaalsContact CE1-C 3.4Å; G104-N179 WeakPolarHBondContact O-CA 3.29Å; G104-N180 PolarHBondContact N-OD1 2.8Å; G104-N180 PolarHBondContact O-N 2.86Å; G104-N180 PolarHBondContact O-OD1 3.35Å
105	W	98.8	Very high	97.3	Very high	28 Å²	28	50 Å²	50	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.5	-175.4	-66.5	96.8	0	0	0	113.1	D57 F66 F102 Y136 V138 A177 I178 N179	D57-W105 HydrophobicContact CB-CB 4.48Å; D57-W105 WeakPolarHBondContact CB-O 3.4Å; D57-W105 PolarHBondContact N-O 2.94Å; F66-W105 HydrophobicContact CE2-CB 4.36Å; F66-W105 AromaticContact CE2-CD1 3.89Å; F66-W105 AromaticContact CE2-CD2 3.46Å; F66-W105 HydrophobicContact CE2-CD2 3.46Å; F66-W105 VanDerWaalsContact CE2-CD2 3.46Å; F66-W105 AromaticContact CE2-CE2 3.52Å; F66-W105 AromaticContact CE2-CE3 3.92Å; F66-W105 HydrophobicContact CE2-CE3 3.92Å; F66-W105 AromaticContact CE2-CG 3.68Å; F66-W105 HydrophobicContact CE2-CG 3.68Å; F66-W105 HydrophobicContact CE2-CH2 4.37Å; F66-W105 HydrophobicContact CE2-CZ2 4Å; F66-W105 HydrophobicContact CE2-CZ3 4.36Å; F66-W105 AromaticContact CE2-NE1 3.77Å; F66-W105 AromaticContact CZ-CD2 3.85Å; F66-W105 HydrophobicContact CZ-CD2 3.85Å; F66-W105 AromaticContact CZ-CE2 3.9Å; F66-W105 AromaticContact CZ-CE3 3.84Å; F66-W105 HydrophobicContact CZ-CE3 3.84Å; F66-W105 HydrophobicContact CZ-CG 4.49Å; F66-W105 AromaticContact CZ-CH2 3.9Å; F66-W105 HydrophobicContact CZ-CH2 3.9Å; F66-W105 AromaticContact CZ-CZ2 3.96Å; F66-W105 HydrophobicContact CZ-CZ2 3.96Å; F66-W105 AromaticContact CZ-CZ3 3.88Å; F66-W105 HydrophobicContact CZ-CZ3 3.88Å; F102-W105 WeakPolarHBondContact CE1-O 3.37Å; F102-W105 WeakPolarHBondContact CZ-O 3.25Å; W105-Y136 AromaticContact CH2-CD1 3.54Å; W105-Y136 HydrophobicContact CH2-CD1 3.54Å; W105-Y136 HydrophobicContact CH2-CE1 4.02Å; W105-Y136 HydrophobicContact CZ2-CD1 4.47Å; W105-Y136 HydrophobicContact CZ3-CD1 4.18Å; W105-V138 HydrophobicContact CH2-CG2 4.01Å; W105-V138 HydrophobicContact CZ3-CG2 4.13Å; W105-A177 HydrophobicContact CE3-CB 3.84Å; W105-A177 HydrophobicContact CZ3-CB 4.08Å; W105-I178 CarbonylContact C-O 3.53Å; W105-I178 WeakPolarHBondContact CA-O 3.44Å; W105-N179 HydrophobicContact CD2-CB 3.67Å; W105-N179 HydrophobicContact CE3-CB 3.64Å; W105-N179 HydrophobicContact CG-CB 4.42Å; W105-N179 HydrophobicContact CH2-CB 3.89Å; W105-N179 HydrophobicContact CZ2-CB 3.88Å; W105-N179 HydrophobicContact CZ3-CB 3.74Å; W105-N179 PolarHBondContact NE1-ND2 3.04Å; W105-N179 VanDerWaalsContact NE1-ND2 3.13Å
106	V	98.9	Very high	97	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.9	167	-56.7	0	0	0	0	110.1	F54 A56 F90 F102 Y108 A177 I178	F54-V106 HydrophobicContact CE2-CB 3.64Å; F54-V106 HydrophobicContact CE2-CG1 4.15Å; F54-V106 HydrophobicContact CE2-CG2 4.03Å; F54-V106 HydrophobicContact CZ-CB 3.8Å; F54-V106 HydrophobicContact CZ-CG1 3.82Å; A56-V106 HydrophobicContact CB-CG1 3.82Å; F90-V106 HydrophobicContact CD1-CG1 4.42Å; F90-V106 HydrophobicContact CD1-CG2 4.21Å; F90-V106 HydrophobicContact CE1-CB 4.46Å; F90-V106 HydrophobicContact CE1-CG1 3.84Å; F90-V106 HydrophobicContact CE1-CG2 3.88Å; F90-V106 HydrophobicContact CZ-CG1 3.96Å; F102-V106 HydrophobicContact CD1-CG1 3.63Å; F102-V106 HydrophobicContact CE1-CG1 3.52Å; V106-Y108 HydrophobicContact CG2-CD2 4.34Å; V106-Y108 HydrophobicContact CG2-CE2 3.79Å; V106-A177 CarbonylContact O-C 3.59Å; V106-A177 VanDerWaalsContact O-CA 3.3Å; V106-A177 WeakPolarHBondContact O-CA 3.36Å; V106-I178 HydrophobicContact CG2-CB 3.95Å; V106-I178 PolarHBondContact N-O 2.87Å; V106-I178 PolarHBondContact O-N 2.78Å
107	W	98.9	Very high	96.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.6	-175.2	-63.5	75.7	0	0	0	109.3	F54 R55 F66 W70 Y71 L75 W140 T175 I176 A177	F54-W107 CarbonylContact C-O 3.5Å; F54-W107 VanDerWaalsContact CA-O 3.23Å; F54-W107 WeakPolarHBondContact CA-O 3.41Å; R55-W107 PolarHBondContact N-O 3.45Å; R55-W107 WeakPolarHBondContact O-CB 3.38Å; R55-W107 PolarHBondContact O-N 3.39Å; F66-W107 HydrophobicContact CD1-CH2 4.12Å; F66-W107 HydrophobicContact CD1-CZ2 4.33Å; F66-W107 HydrophobicContact CD2-CH2 4.48Å; F66-W107 AromaticContact CD2-CZ2 3.89Å; F66-W107 HydrophobicContact CD2-CZ2 3.89Å; F66-W107 AromaticContact CE1-CH2 3.96Å; F66-W107 HydrophobicContact CE1-CH2 3.96Å; F66-W107 HydrophobicContact CE1-CZ2 4.21Å; F66-W107 HydrophobicContact CE2-CH2 4.29Å; F66-W107 AromaticContact CE2-CZ2 3.71Å; F66-W107 HydrophobicContact CE2-CZ2 3.71Å; F66-W107 HydrophobicContact CG-CH2 4.4Å; F66-W107 HydrophobicContact CG-CZ2 4.19Å; F66-W107 HydrophobicContact CZ-CH2 4.04Å; F66-W107 AromaticContact CZ-CZ2 3.9Å; F66-W107 HydrophobicContact CZ-CZ2 3.9Å; W70-W107 AromaticContact CE3-CD1 3.62Å; W70-W107 HydrophobicContact CE3-CD2 4.01Å; W70-W107 AromaticContact CE3-CE2 3.82Å; W70-W107 AromaticContact CE3-CG 3.9Å; W70-W107 HydrophobicContact CE3-CG 3.9Å; W70-W107 AromaticContact CE3-NE1 3.54Å; W70-W107 AromaticContact CZ3-CD1 3.58Å; W70-W107 HydrophobicContact CZ3-CG 4.25Å; W70-W107 AromaticContact CZ3-NE1 3.64Å; Y71-W107 AromaticContact CD1-CH2 3.84Å; Y71-W107 HydrophobicContact CD1-CH2 3.84Å; Y71-W107 AromaticContact CD1-CZ3 3.91Å; Y71-W107 HydrophobicContact CD1-CZ3 3.91Å; L75-W107 HydrophobicContact CD1-CB 4Å; L75-W107 HydrophobicContact CD1-CG 4.5Å; L75-W107 HydrophobicContact CD2-CB 4.13Å; W107-W140 HydrophobicContact CE3-CZ3 4.39Å; W107-W140 AromaticContact CH2-CH2 3.75Å; W107-W140 HydrophobicContact CH2-CH2 3.75Å; W107-W140 HydrophobicContact CH2-CZ2 4.48Å; W107-W140 HydrophobicContact CH2-CZ3 4.09Å; W107-W140 HydrophobicContact CZ3-CE3 4.26Å; W107-W140 AromaticContact CZ3-CH2 3.73Å; W107-W140 HydrophobicContact CZ3-CH2 3.73Å; W107-W140 AromaticContact CZ3-CZ3 3.58Å; W107-W140 HydrophobicContact CZ3-CZ3 3.58Å; W107-T175 HydrophobicContact CE3-CG2 3.89Å; W107-T175 HydrophobicContact CZ3-CG2 4.31Å; W107-I176 CarbonylContact C-O 3.14Å; W107-I176 WeakPolarHBondContact CA-O 3.2Å; W107-A177 HydrophobicContact CD2-CB 3.93Å; W107-A177 HydrophobicContact CE3-CB 3.84Å; W107-A177 HydrophobicContact CH2-CB 3.92Å; W107-A177 HydrophobicContact CZ2-CB 4.02Å; W107-A177 HydrophobicContact CZ3-CB 3.83Å
108	Y	98.9	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.4	170.8	-72	-101.8	0	0	0	108.9	W52 R53 F54 M84 V86 V106 T175 I176 I178 L220	W52-Y108 HydrophobicContact CB-CD1 3.95Å; W52-Y108 HydrophobicContact CG-CD1 4.48Å; R53-Y108 CarbonylContact O-C 3.57Å; R53-Y108 VanDerWaalsContact O-CA 3.27Å; R53-Y108 WeakPolarHBondContact O-CA 3.43Å; F54-Y108 HydrophobicContact CD2-CD1 4.09Å; F54-Y108 HydrophobicContact CD2-CD2 4.04Å; F54-Y108 AromaticContact CD2-CE1 3.75Å; F54-Y108 HydrophobicContact CD2-CE1 3.75Å; F54-Y108 AromaticContact CD2-CE2 3.68Å; F54-Y108 HydrophobicContact CD2-CE2 3.68Å; F54-Y108 HydrophobicContact CD2-CG 4.23Å; F54-Y108 AromaticContact CD2-CZ 3.51Å; F54-Y108 HydrophobicContact CE2-CD2 4.26Å; F54-Y108 HydrophobicContact CE2-CE1 4.28Å; F54-Y108 AromaticContact CE2-CE2 3.57Å; F54-Y108 HydrophobicContact CE2-CE2 3.57Å; F54-Y108 AromaticContact CE2-CZ 3.57Å; M84-Y108 HydrophobicContact CB-CD1 4.44Å; M84-Y108 HydrophobicContact CB-CE1 3.84Å; M84-Y108 HydrophobicContact CG-CE1 3.52Å; V86-Y108 HydrophobicContact CG2-CD1 4.08Å; V86-Y108 HydrophobicContact CG2-CE1 4.1Å; V106-Y108 HydrophobicContact CG2-CD2 4.34Å; V106-Y108 HydrophobicContact CG2-CE2 3.79Å; Y108-T175 CarbonylContact O-C 3.58Å; Y108-T175 VanDerWaalsContact O-CA 3.3Å; Y108-T175 WeakPolarHBondContact O-CA 3.47Å; Y108-I176 PolarHBondContact N-O 2.58Å; Y108-I176 PolarHBondContact O-N 2.85Å; Y108-I178 HydrophobicContact CD2-CD1 4.07Å; Y108-I178 HydrophobicContact CE2-CD1 4.05Å; Y108-L220 HydrophobicContact CD1-CD1 3.88Å; Y108-L220 HydrophobicContact CD2-CD1 4.27Å; Y108-L220 HydrophobicContact CD2-CG 4.47Å; Y108-L220 HydrophobicContact CE1-CD1 4.39Å; Y108-L220 HydrophobicContact CG-CD1 3.82Å; Y108-L220 HydrophobicContact CG-CG 4.47Å
109	E	98.8	Very high	96.6	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.3	171.8	-177.7	177.9	85.2	0	0	112.3	W52 R53 P74 L75 R173 V174 T175	W52-E109 VanDerWaalsContact CE3-C 3.42Å; R53-E109 HydrophobicContact CB-CB 4.33Å; R53-E109 PolarHBondContact N-O 2.84Å; R53-E109 PolarHBondContact O-N 2.65Å; P74-E109 WeakPolarHBondContact CA-OE1 3.5Å; L75-E109 HydrophobicContact CB-CB 4.02Å; L75-E109 WeakPolarHBondContact CB-OE1 3.09Å; L75-E109 HydrophobicContact CD2-CB 4.27Å; L75-E109 VanDerWaalsContact N-CD 3.35Å; L75-E109 PolarHBondContact N-OE1 3.02Å; L75-E109 PolarHBondContact N-OE2 3.44Å; E109-R173 HydrophobicContact CG-CG 3.91Å; E109-R173 WeakPolarHBondContact OE2-CD 3.35Å; E109-R173 IonicContact OE2-CZ 3.62Å; E109-R173 IonicContact OE2-NE 2.84Å; E109-R173 IonicContact OE2-NH1 3.96Å; E109-R173 PolarHBondContact OE2-NH1 2.89Å; E109-V174 CarbonylContact C-O 3.59Å; E109-V174 VanDerWaalsContact CA-O 3.28Å; E109-V174 WeakPolarHBondContact CA-O 3.4Å; E109-T175 HydrophobicContact CB-CG2 4.49Å; E109-T175 PolarHBondContact OE2-OG1 2.86Å; E109-T175 VanDerWaalsContact OE2-OG1 3.06Å
110	R	98.3	Very high	96.3	Very high	61 Å²	61	46.2 Å²	46.2	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.1	171.8	177.8	169.3	-178.1	152.7	-11.4	111.4	L48 D49 W52 V174	L48-R110 VanDerWaalsContact O-CZ 3.25Å; L48-R110 PolarHBondContact O-NH1 3.44Å; D49-R110 PolarHBondContact O-NH1 3.34Å; D49-R110 PolarHBondContact O-NH2 3.14Å; W52-R110 HydrophobicContact CD2-CB 3.39Å; W52-R110 HydrophobicContact CD2-CG 4.39Å; W52-R110 HydrophobicContact CE3-CB 3.47Å; W52-R110 VanDerWaalsContact CE3-CB 3.47Å; W52-R110 HydrophobicContact CG-CB 3.96Å; W52-R110 HydrophobicContact CH2-CB 3.97Å; W52-R110 HydrophobicContact CZ2-CB 3.89Å; W52-R110 HydrophobicContact CZ3-CB 3.76Å; R110-V174 PolarHBondContact N-O 3.33Å; R110-V174 PolarHBondContact O-N 2.94Å
111	E	96.7	Very high	96	Very high	100 Å²	100	47.4 Å²	47.4	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.9	167.4	-67.7	-178.9	-176.8	0	0	110	C172 R173	E111-C172 CarbonylContact C-O 3.59Å; E111-C172 WeakPolarHBondContact CA-O 3.41Å; E111-R173 HydrophobicContact CG-CB 4.04Å; E111-R173 HydrophobicContact CG-CG 4.02Å
112	A	94.2	Very high	95.7	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.5	177.8	0	0	0	0	0	110.2	L48 T171 C172 L226	L48-A112 HydrophobicContact CD2-CB 3.65Å; A112-T171 CarbonylContact O-C 3.6Å; A112-T171 WeakPolarHBondContact O-CA 3.39Å; A112-C172 PolarHBondContact N-O 2.99Å; A112-C172 PolarHBondContact O-N 3.44Å; A112-L226 HydrophobicContact CB-CD1 4.37Å
113	I	94.4	Very high	95.3	Very high	124 Å²	124	53.3 Å²	53.3	64%	0.636	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.6	168	-61.4	170	0	0	0	107.7	K46 T171	K46-I113 VanDerWaalsContact CE-O 3.3Å; K46-I113 WeakPolarHBondContact CE-O 3.15Å; I113-T171 HydrophobicContact CG1-CG2 4.14Å
114	L	93.6	Very high	95.1	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.068	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-90	141.4	178.3	-56.8	-175.3	0	0	0	110.2	Q116 W118 T119 V164 C172 L226	L114-Q116 PolarHBondContact O-N 3.14Å; L114-W118 HydrophobicContact CD2-CE3 4.21Å; L114-W118 HydrophobicContact CD2-CZ3 4.5Å; L114-T119 HydrophobicContact CB-CG2 3.93Å; L114-T119 HydrophobicContact CD1-CG2 3.9Å; L114-V164 HydrophobicContact CD1-CB 3.69Å; L114-V164 HydrophobicContact CD1-CG1 3.75Å; L114-V164 HydrophobicContact CD1-CG2 4.18Å; L114-C172 HydrophobicContact CD1-CB 3.9Å; L114-C172 HydrophobicContact CD2-CB 4.07Å; L114-C172 HydrophobicContact CG-CB 3.95Å; L114-L226 HydrophobicContact CD2-CD1 3.45Å; L114-L226 VanDerWaalsContact CD2-CD1 3.45Å
115	P	94.4	Very high	95.1	Very high	45 Å²	45	53.8 Å²	53.8	29%	0.292	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-53.8	134.7	166.9	-24.2	34.5	0	0	0	110.6	R117 W118	P115-R117 HydrophobicContact CB-CG 4.37Å; P115-R117 PolarHBondContact O-N 3.45Å; P115-R117 VanDerWaalsContact O-N 3.08Å; P115-W118 HydrophobicContact CB-CD2 4.43Å; P115-W118 HydrophobicContact CB-CG 4.13Å; P115-W118 HydrophobicContact CG-CD2 3.98Å; P115-W118 HydrophobicContact CG-CG 4.2Å; P115-W118 HydrophobicContact CG-CZ2 4.31Å; P115-W118 WeakPolarHBondContact O-CB 3.38Å; P115-W118 PolarHBondContact O-N 3.26Å
116	Q	92.6	Very high	95	Very high	126 Å²	126	52.4 Å²	52.4	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-52.6	-38.2	-176.1	-178.4	177.2	-6.5	0	0	112.5	L114 W118 T119 Q120	L114-Q116 PolarHBondContact O-N 3.14Å; Q116-W118 VanDerWaalsContact C-N 3.3Å; Q116-W118 PolarHBondContact O-N 3.02Å; Q116-T119 PolarHBondContact O-N 3.34Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.28Å; Q116-Q120 VanDerWaalsContact CG-CD 3.41Å; Q116-Q120 HydrophobicContact CG-CG 4.04Å; Q116-Q120 VanDerWaalsContact NE2-CD 3.28Å; Q116-Q120 WeakPolarHBondContact O-CB 3.48Å; Q116-Q120 WeakPolarHBondContact O-CG 3.22Å; Q116-Q120 PolarHBondContact O-N 3.05Å
117	R	93.3	Very high	95	Very high	142 Å²	142	52.3 Å²	52.3	54%	0.536	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-35.1	177.3	72.4	-179.7	172.4	169.9	-15.2	113.3	E44 P115 T119 Q120 D121 M124	E44-R117 IonicContact OE1-CZ 3.15Å; E44-R117 IonicContact OE1-NE 3.73Å; E44-R117 PolarHBondContact OE1-NE 2.94Å; E44-R117 IonicContact OE1-NH1 2.66Å; E44-R117 PolarHBondContact OE1-NH1 2.94Å; E44-R117 IonicContact OE1-NH2 3.15Å; E44-R117 PolarHBondContact OE1-NH2 2.92Å; E44-R117 IonicContact OE2-CZ 3.91Å; E44-R117 IonicContact OE2-NE 3.7Å; E44-R117 PolarHBondContact OE2-NE 3.45Å; E44-R117 VanDerWaalsContact OE2-NE 3.15Å; E44-R117 IonicContact OE2-NH2 2.75Å; E44-R117 PolarHBondContact OE2-NH2 2.81Å; P115-R117 HydrophobicContact CB-CG 4.37Å; P115-R117 PolarHBondContact O-N 3.45Å; P115-R117 VanDerWaalsContact O-N 3.08Å; R117-T119 PolarHBondContact O-N 3.24Å; R117-Q120 PolarHBondContact O-N 2.65Å; R117-D121 WeakPolarHBondContact O-CB 3.32Å; R117-D121 PolarHBondContact O-N 3.35Å; R117-M124 HydrophobicContact CG-CE 4.46Å
118	W	94.3	Very high	95	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.011	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-28.8	178.3	-64.4	9.2	0	0	0	112.4	E44 K46 L114 P115 Q116 M124 V126 Q165 L226 T228	E44-W118 HydrophobicContact CB-CZ2 3.71Å; E44-W118 PolarHBondContact OE1-NE1 3.02Å; E44-W118 PolarHBondContact OE2-NE1 3.17Å; K46-W118 HydrophobicContact CB-CH2 3.58Å; K46-W118 HydrophobicContact CB-CZ2 4.43Å; K46-W118 HydrophobicContact CB-CZ3 4.2Å; K46-W118 HydrophobicContact CD-CH2 4.48Å; K46-W118 HydrophobicContact CD-CZ3 4.48Å; L114-W118 HydrophobicContact CD2-CE3 4.21Å; L114-W118 HydrophobicContact CD2-CZ3 4.5Å; P115-W118 HydrophobicContact CB-CD2 4.43Å; P115-W118 HydrophobicContact CB-CG 4.13Å; P115-W118 HydrophobicContact CG-CD2 3.98Å; P115-W118 HydrophobicContact CG-CG 4.2Å; P115-W118 HydrophobicContact CG-CZ2 4.31Å; P115-W118 WeakPolarHBondContact O-CB 3.38Å; P115-W118 PolarHBondContact O-N 3.26Å; Q116-W118 VanDerWaalsContact C-N 3.3Å; Q116-W118 PolarHBondContact O-N 3.02Å; W118-M124 HydrophobicContact CB-SD 4.29Å; W118-M124 HydrophobicContact CG-SD 3.94Å; W118-V126 HydrophobicContact CB-CG2 3.99Å; W118-V126 HydrophobicContact CE3-CG1 4.06Å; W118-Q165 WeakPolarHBondContact O-CG 3.37Å; W118-Q165 PolarHBondContact O-NE2 3.47Å; W118-L226 HydrophobicContact CH2-CB 4.17Å; W118-L226 HydrophobicContact CZ3-CB 3.63Å; W118-L226 HydrophobicContact CZ3-CD1 4.35Å; W118-T228 HydrophobicContact CD2-CG2 3.49Å; W118-T228 VanDerWaalsContact CD2-CG2 3.49Å; W118-T228 HydrophobicContact CE3-CG2 3.94Å; W118-T228 HydrophobicContact CG-CG2 3.87Å; W118-T228 HydrophobicContact CH2-CG2 4.08Å; W118-T228 HydrophobicContact CZ2-CG2 3.68Å; W118-T228 HydrophobicContact CZ3-CG2 4.22Å
119	T	92.6	Very high	95	Very high	19 Å²	19	52.3 Å²	52.3	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-94.7	-20	-178	58.9	0	0	0	0	113.7	L114 Q116 R117 V164	L114-T119 HydrophobicContact CB-CG2 3.93Å; L114-T119 HydrophobicContact CD1-CG2 3.9Å; Q116-T119 PolarHBondContact O-N 3.34Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.28Å; R117-T119 PolarHBondContact O-N 3.24Å; T119-V164 WeakPolarHBondContact CG2-O 3.44Å
120	Q	92	Very high	95	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-109.2	-26.8	-174.4	-66.8	-171	-18.7	0	0	113.8	Q116 R117 M122	Q116-Q120 VanDerWaalsContact CG-CD 3.41Å; Q116-Q120 HydrophobicContact CG-CG 4.04Å; Q116-Q120 VanDerWaalsContact NE2-CD 3.28Å; Q116-Q120 WeakPolarHBondContact O-CB 3.48Å; Q116-Q120 WeakPolarHBondContact O-CG 3.22Å; Q116-Q120 PolarHBondContact O-N 3.05Å; R117-Q120 PolarHBondContact O-N 2.65Å; Q120-M122 PolarHBondContact O-N 2.82Å
121	D	92	Very high	95	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	24%	0.239	S	C	.	.			trans	-87.3	106.2	177.2	-170.4	-9.2	0	0	0	110.1	R117 D123 M124 Q165	R117-D121 WeakPolarHBondContact O-CB 3.32Å; R117-D121 PolarHBondContact O-N 3.35Å; D121-D123 PolarHBondContact O-N 2.86Å; D121-D123 WeakPolarHBondContact OD1-CB 3.34Å; D121-D123 PolarHBondContact OD1-N 2.89Å; D121-M124 HydrophobicContact CB-CB 4.26Å; D121-M124 WeakPolarHBondContact O-CB 3.36Å; D121-M124 PolarHBondContact O-N 2.83Å; D121-Q165 PolarHBondContact O-NE2 2.84Å
122	M	91.2	Very high	95	Very high	120 Å²	120	44.4 Å²	44.4	59%	0.591	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.9	-179.3	-60.7	-58.5	-59.2	0	0	113.2	Q120 Q165	Q120-M122 PolarHBondContact O-N 2.82Å; M122-Q165 HydrophobicContact CE-CB 4.14Å; M122-Q165 HydrophobicContact SD-CB 3.74Å; M122-Q165 HydrophobicContact SD-CG 4.24Å
123	D	91.3	Very high	95.1	Very high	95 Å²	95	44.1 Å²	44.1	51%	0.508	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.2	173.9	-67.8	-38.4	0	0	0	112.1	D121 T231	D121-D123 PolarHBondContact O-N 2.86Å; D121-D123 WeakPolarHBondContact OD1-CB 3.34Å; D121-D123 PolarHBondContact OD1-N 2.89Å; D123-T231 PolarHBondContact O-N 2.76Å; D123-T231 VanDerWaalsContact O-N 3.09Å
124	M	93.9	Very high	95	Very high	23 Å²	23	38.5 Å²	38.5	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.3	175.4	-170.2	171.7	-70.6	0	0	111.2	R117 W118 D121 Q165 T228	R117-M124 HydrophobicContact CG-CE 4.46Å; W118-M124 HydrophobicContact CB-SD 4.29Å; W118-M124 HydrophobicContact CG-SD 3.94Å; D121-M124 HydrophobicContact CB-CB 4.26Å; D121-M124 WeakPolarHBondContact O-CB 3.36Å; D121-M124 PolarHBondContact O-N 2.83Å; M124-Q165 PolarHBondContact O-NE2 2.98Å; M124-T228 HydrophobicContact CG-CG2 3.99Å; M124-T228 HydrophobicContact SD-CG2 3.7Å
125	R	97.1	Very high	95.1	Very high	15 Å²	15	38 Å²	38	6%	0.057	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.7	168.7	176.6	176.1	178.5	-104.9	-4.7	109.3	V127 E157 D159 S161 T228 T229 Y233	R125-V127 HydrophobicContact CG-CG2 3.95Å; R125-E157 IonicContact NH2-OE1 3.95Å; R125-E157 PolarHBondContact NH2-OE1 3.28Å; R125-D159 WeakPolarHBondContact CD-OD2 3.44Å; R125-D159 WeakPolarHBondContact CG-OD2 3.35Å; R125-D159 IonicContact CZ-OD2 3.24Å; R125-D159 IonicContact NE-OD2 3.42Å; R125-D159 PolarHBondContact NE-OD2 2.81Å; R125-S161 WeakPolarHBondContact CA-OG 3.27Å; R125-T228 WeakPolarHBondContact O-CA 3.45Å; R125-T228 WeakPolarHBondContact O-CB 3.34Å; R125-T229 PolarHBondContact N-O 2.82Å; R125-T229 PolarHBondContact O-N 2.87Å; R125-T229 VanDerWaalsContact O-N 3.08Å; R125-Y233 VanDerWaalsContact CD-CE1 3.49Å
126	V	97.8	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.8	176.9	-173.2	0	0	0	0	109.4	W118 I160 S161 V164 T228	W118-V126 HydrophobicContact CB-CG2 3.99Å; W118-V126 HydrophobicContact CE3-CG1 4.06Å; V126-I160 HydrophobicContact CB-CG1 4.34Å; V126-I160 HydrophobicContact CG1-CD1 4.25Å; V126-I160 HydrophobicContact CG1-CG1 4.02Å; V126-I160 WeakPolarHBondContact O-CG1 3.23Å; V126-I160 PolarHBondContact O-N 3.24Å; V126-S161 PolarHBondContact N-OG 2.84Å; V126-S161 PolarHBondContact O-N 2.85Å; V126-S161 PolarHBondContact O-OG 2.67Å; V126-V164 HydrophobicContact CB-CG2 4.05Å; V126-V164 HydrophobicContact CG1-CG2 4.24Å; V126-V164 HydrophobicContact CG2-CG2 4.05Å; V126-T228 HydrophobicContact CG2-CG2 4.25Å
127	V	98.6	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.4	-173	-169.7	0	0	0	0	110.2	R125 E157 A158 L226 Y227	R125-V127 HydrophobicContact CG-CG2 3.95Å; V127-E157 HydrophobicContact CG1-CB 3.85Å; V127-E157 HydrophobicContact CG1-CG 4.23Å; V127-A158 WeakPolarHBondContact CA-O 3.37Å; V127-A158 WeakPolarHBondContact CG1-O 3.18Å; V127-L226 CarbonylContact O-C 3.56Å; V127-L226 VanDerWaalsContact O-CA 3.24Å; V127-L226 WeakPolarHBondContact O-CA 3.33Å; V127-Y227 HydrophobicContact CB-CD1 3.83Å; V127-Y227 HydrophobicContact CB-CD2 4.32Å; V127-Y227 HydrophobicContact CB-CE1 3.47Å; V127-Y227 VanDerWaalsContact CB-CE1 3.47Å; V127-Y227 HydrophobicContact CB-CE2 3.98Å; V127-Y227 HydrophobicContact CB-CG 4.25Å; V127-Y227 HydrophobicContact CG1-CD1 4.15Å; V127-Y227 HydrophobicContact CG1-CE1 3.38Å; V127-Y227 HydrophobicContact CG1-CE2 4.48Å; V127-Y227 HydrophobicContact CG2-CD2 4.34Å; V127-Y227 HydrophobicContact CG2-CE1 4.14Å; V127-Y227 HydrophobicContact CG2-CE2 3.77Å; V127-Y227 PolarHBondContact N-O 3.04Å; V127-Y227 PolarHBondContact O-N 3.12Å
128	L	98.8	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	167.2	176.4	64.4	0	0	0	108.9	L48 I130 V139 V141 E157 A158 I160 V174 V224 L226	L48-L128 HydrophobicContact CD1-CD1 4.17Å; L128-I130 HydrophobicContact CD2-CD1 4.25Å; L128-I130 HydrophobicContact CG-CD1 3.92Å; L128-V139 HydrophobicContact CD2-CG1 3.7Å; L128-V141 HydrophobicContact CD2-CG2 3.91Å; L128-E157 CarbonylContact O-C 3.54Å; L128-E157 WeakPolarHBondContact O-CA 3.41Å; L128-E157 WeakPolarHBondContact O-CB 3.25Å; L128-A158 PolarHBondContact N-O 3.36Å; L128-A158 PolarHBondContact O-N 3.31Å; L128-I160 HydrophobicContact CB-CD1 4.24Å; L128-I160 HydrophobicContact CB-CG2 4.21Å; L128-V174 HydrophobicContact CD1-CG1 4.43Å; L128-V174 HydrophobicContact CD1-CG2 4.48Å; L128-V174 HydrophobicContact CD2-CG1 3.7Å; L128-V174 HydrophobicContact CD2-CG2 4.27Å; L128-V224 HydrophobicContact CD1-CG1 3.84Å; L128-L226 HydrophobicContact CB-CD2 3.93Å; L128-L226 HydrophobicContact CD1-CD2 3.9Å; L128-L226 HydrophobicContact CD1-CG 4.33Å
129	R	98.8	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.2	176	-180	-168.7	-180	91.6	-6.4	110.6	M34 N131 P155 E157 V225 Y227 E393	M34-R129 PolarHBondContact SD-NH1 3.03Å; R129-N131 WeakPolarHBondContact CD-OD1 3.36Å; R129-N131 PolarHBondContact NE-OD1 2.84Å; R129-P155 VanDerWaalsContact NH2-CB 3.26Å; R129-E157 HydrophobicContact CB-CB 4.02Å; R129-E157 HydrophobicContact CG-CB 4.27Å; R129-E157 IonicContact NH1-OE2 3.63Å; R129-V225 HydrophobicContact CB-CG2 3.84Å; R129-V225 HydrophobicContact CG-CG2 4.41Å; R129-V225 PolarHBondContact N-O 2.93Å; R129-V225 PolarHBondContact O-N 2.93Å; R129-Y227 HydrophobicContact CB-CD1 4.23Å; R129-Y227 HydrophobicContact CB-CE1 4.08Å; R129-E393 IonicContact CZ-OE1 2.71Å; R129-E393 IonicContact NH2-OE1 2.82Å; R129-E393 PolarHBondContact NH2-OE1 2.83Å
130	I	98.8	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.7	172.9	-64.2	78.1	0	0	0	106.5	L128 S132 A133 V139 P155 F156 I176 L220 V224	L128-I130 HydrophobicContact CD2-CD1 4.25Å; L128-I130 HydrophobicContact CG-CD1 3.92Å; I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 2.9Å; I130-A133 HydrophobicContact CG2-CB 4.03Å; I130-V139 HydrophobicContact CD1-CG2 4.17Å; I130-P155 VanDerWaalsContact O-CA 3.29Å; I130-P155 WeakPolarHBondContact O-CA 3.47Å; I130-F156 HydrophobicContact CB-CD1 4.39Å; I130-F156 HydrophobicContact CB-CD2 4.47Å; I130-F156 HydrophobicContact CB-CE1 3.88Å; I130-F156 HydrophobicContact CB-CE2 3.97Å; I130-F156 HydrophobicContact CB-CZ 3.65Å; I130-F156 HydrophobicContact CD1-CD2 4.37Å; I130-F156 HydrophobicContact CD1-CE2 3.87Å; I130-F156 HydrophobicContact CD1-CZ 4.34Å; I130-F156 HydrophobicContact CG1-CE2 4.07Å; I130-F156 HydrophobicContact CG1-CZ 4.01Å; I130-F156 HydrophobicContact CG2-CE1 3.77Å; I130-F156 HydrophobicContact CG2-CZ 3.72Å; I130-F156 PolarHBondContact N-O 3.5Å; I130-F156 PolarHBondContact O-N 3.4Å; I130-F156 VanDerWaalsContact O-N 3.12Å; I130-I176 HydrophobicContact CG1-CD1 4Å; I130-L220 HydrophobicContact CG2-CD2 4.03Å; I130-V224 HydrophobicContact CG1-CG1 4.31Å; I130-V224 HydrophobicContact CG1-CG2 4.39Å; I130-V224 HydrophobicContact CG2-CG2 4.47Å
131	N	98.3	Very high	96.6	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.097	C	C	.	.	S	Bend	trans	-75.2	-22.8	-176.6	-70.2	-0.7	0	0	0	113	R129 R222 S223	R129-N131 WeakPolarHBondContact CD-OD1 3.36Å; R129-N131 PolarHBondContact NE-OD1 2.84Å; N131-R222 HydrophobicContact CB-CB 3.53Å; N131-S223 VanDerWaalsContact CB-O 3.26Å; N131-S223 WeakPolarHBondContact CB-O 3.48Å; N131-S223 PolarHBondContact N-O 2.76Å; N131-S223 VanDerWaalsContact N-O 3.17Å
132	S	96.7	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.			trans	-171.9	136.2	173.3	154.9	0	0	0	0	110.9	I130 G152	I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 2.9Å; S132-G152 PolarHBondContact OG-O 3.31Å
133	A	96.8	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.			trans	-141.8	122.1	171.8	0	0	0	0	0	110.1	I130 A137 G151 F156 I178 L220	I130-A133 HydrophobicContact CG2-CB 4.03Å; A133-A137 HydrophobicContact CB-CB 3.82Å; A133-G151 VanDerWaalsContact O-O 3.07Å; A133-F156 HydrophobicContact CB-CE1 4.08Å; A133-F156 HydrophobicContact CB-CZ 4.17Å; A133-I178 HydrophobicContact CB-CD1 3.98Å; A133-I178 HydrophobicContact CB-CG1 4.33Å; A133-L220 HydrophobicContact CB-CD2 3.87Å
134	H	93.3	Very high	97.2	Very high	5 Å²	5	14 Å²	14	2%	0.023	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-103.2	118.7	-172.9	-175.4	76.2	0	0	0	114.7	G152 I178 N216 Y217 G219	H134-G152 WeakPolarHBondContact ND1-CA 3.5Å; H134-I178 WeakPolarHBondContact O-CG2 3.24Å; H134-N216 PolarHBondContact NE2-OD1 3.17Å; H134-Y217 PolarHBondContact CD2-O 3.15Å; H134-G219 PolarHBondContact N-O 3.16Å; H134-G219 VanDerWaalsContact N-O 3.17Å
135	Y	93.9	Very high	97.5	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.016	8%	0.084	C	C	.	.	S	Bend	cis	-114.9	-43.2	5.6	178.2	-95.6	0	0	0	113.3	E150 G151 N179 L182 T186 L187 H428	Y135-E150 HydrophobicContact CD1-CG 4.27Å; Y135-E150 HydrophobicContact CE1-CG 3.39Å; Y135-G151 CarbonylContact O-C 3.44Å; Y135-G151 PolarHBondContact O-N 2.86Å; Y135-N179 WeakPolarHBondContact CA-O 3.43Å; Y135-N179 PolarHBondContact N-O 2.9Å; Y135-L182 HydrophobicContact CD2-CD2 4.18Å; Y135-L182 HydrophobicContact CG-CD2 4.11Å; Y135-T186 HydrophobicContact CD1-CG2 3.8Å; Y135-T186 HydrophobicContact CE1-CG2 3.25Å; Y135-T186 VanDerWaalsContact CZ-CB 3.49Å; Y135-T186 VanDerWaalsContact OH-CA 3.31Å; Y135-T186 WeakPolarHBondContact OH-CA 3.38Å; Y135-T186 WeakPolarHBondContact OH-CB 3.28Å; Y135-L187 VanDerWaalsContact CE2-O 3.3Å; Y135-L187 WeakPolarHBondContact CE2-O 3.35Å; Y135-L187 PolarHBondContact OH-N 3.28Å; Y135-L187 VanDerWaalsContact OH-N 3.1Å; Y135-H428 AromaticContact CZ-NE2 3.96Å; Y135-H428 PolarHBondContact OH-CD2 3.32Å; Y135-H428 PolarHBondContact OH-NE2 3.13Å
136	Y	98.4	Very high	97.5	Very high	69 Å²	69	18.1 Å²	18.1	27%	0.271	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128	175	-172.3	-86.4	0	0	0	109.8	W105 V138 E148 H149 E150 I178 N179	W105-Y136 AromaticContact CH2-CD1 3.54Å; W105-Y136 HydrophobicContact CH2-CD1 3.54Å; W105-Y136 HydrophobicContact CH2-CE1 4.02Å; W105-Y136 HydrophobicContact CZ2-CD1 4.47Å; W105-Y136 HydrophobicContact CZ3-CD1 4.18Å; Y136-V138 HydrophobicContact CD1-CG2 4.18Å; Y136-V138 HydrophobicContact CE1-CG2 3.68Å; Y136-E148 PolarHBondContact OH-OE2 2.83Å; Y136-H149 CarbonylContact C-O 3.58Å; Y136-H149 WeakPolarHBondContact CA-O 3.41Å; Y136-E150 HydrophobicContact CD2-CB 3.71Å; Y136-E150 HydrophobicContact CD2-CG 3.96Å; Y136-E150 HydrophobicContact CE2-CB 4.06Å; Y136-I178 CarbonylContact O-C 3.6Å; Y136-I178 WeakPolarHBondContact O-CA 3.43Å; Y136-N179 PolarHBondContact N-O 3.44Å; Y136-N179 PolarHBondContact O-N 3.46Å
137	A	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.2	-174.1	0	0	0	0	0	112	A133 E148 H149 F156 A177	A133-A137 HydrophobicContact CB-CB 3.82Å; A137-E148 CarbonylContact O-C 3.52Å; A137-E148 WeakPolarHBondContact O-CA 3.5Å; A137-H149 PolarHBondContact N-O 2.75Å; A137-H149 PolarHBondContact O-N 3.43Å; A137-F156 HydrophobicContact CB-CE1 4.31Å; A137-F156 HydrophobicContact CB-CE2 4.42Å; A137-F156 HydrophobicContact CB-CZ 3.66Å; A137-A177 CarbonylContact C-O 3.52Å; A137-A177 VanDerWaalsContact CA-O 3.3Å; A137-A177 WeakPolarHBondContact CA-O 3.16Å
138	V	98.8	Very high	97.5	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	170.6	-173.2	0	0	0	0	108.2	W105 Y136 W140 E148 I176 A177	W105-V138 HydrophobicContact CH2-CG2 4.01Å; W105-V138 HydrophobicContact CZ3-CG2 4.13Å; Y136-V138 HydrophobicContact CD1-CG2 4.18Å; Y136-V138 HydrophobicContact CE1-CG2 3.68Å; V138-W140 HydrophobicContact CB-CH2 3.47Å; V138-W140 VanDerWaalsContact CB-CH2 3.47Å; V138-W140 HydrophobicContact CB-CZ2 4.11Å; V138-W140 HydrophobicContact CB-CZ3 3.75Å; V138-W140 HydrophobicContact CG1-CD2 4.34Å; V138-W140 HydrophobicContact CG1-CE3 4.23Å; V138-W140 HydrophobicContact CG1-CH2 3.19Å; V138-W140 HydrophobicContact CG1-CZ2 3.28Å; V138-W140 HydrophobicContact CG1-CZ3 3.69Å; V138-W140 HydrophobicContact CG2-CH2 4.49Å; V138-W140 WeakPolarHBondContact O-CZ3 3.38Å; V138-E148 HydrophobicContact CG1-CG 4.16Å; V138-E148 HydrophobicContact CG2-CG 4.21Å; V138-I176 WeakPolarHBondContact O-CA 3.36Å; V138-A177 PolarHBondContact N-O 3.44Å; V138-A177 PolarHBondContact O-N 3.49Å
139	V	98.8	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.1	-172.3	-174.5	0	0	0	0	111.2	L128 I130 V146 V147 F156 V174 I176	L128-V139 HydrophobicContact CD2-CG1 3.7Å; I130-V139 HydrophobicContact CD1-CG2 4.17Å; V139-V146 HydrophobicContact CB-CG2 3.92Å; V139-V146 HydrophobicContact CG1-CG2 3.65Å; V139-V146 WeakPolarHBondContact O-CG2 3.24Å; V139-V146 PolarHBondContact O-N 2.74Å; V139-V147 HydrophobicContact CB-CG1 3.82Å; V139-V147 HydrophobicContact CG1-CG1 4.49Å; V139-V147 HydrophobicContact CG2-CG1 3.89Å; V139-V147 PolarHBondContact N-O 2.78Å; V139-F156 HydrophobicContact CG2-CE2 3.8Å; V139-F156 HydrophobicContact CG2-CZ 4.42Å; V139-V174 HydrophobicContact CG1-CG1 4.49Å; V139-I176 HydrophobicContact CG1-CG1 4.2Å; V139-I176 HydrophobicContact CG2-CG1 4.23Å; V139-I176 HydrophobicContact CG2-CG2 4.21Å
140	W	98.7	Very high	97.4	Very high	11 Å²	11	28.7 Å²	28.7	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143	172.5	-59.3	-101	0	0	0	111.3	F66 Y71 W107 V138 I144 H145 V174 T175 A177	F66-W140 AromaticContact CE1-CH2 3.69Å; F66-W140 HydrophobicContact CE1-CH2 3.69Å; F66-W140 HydrophobicContact CE1-CZ2 4.04Å; F66-W140 HydrophobicContact CZ-CH2 4.29Å; Y71-W140 HydrophobicContact CD1-CD2 4.4Å; Y71-W140 AromaticContact CD1-CE2 3.81Å; Y71-W140 HydrophobicContact CD1-CH2 4.27Å; Y71-W140 AromaticContact CD1-CZ2 3.74Å; Y71-W140 HydrophobicContact CD1-CZ2 3.74Å; Y71-W140 AromaticContact CD2-CD1 3.51Å; Y71-W140 HydrophobicContact CD2-CD2 4.34Å; Y71-W140 AromaticContact CD2-CE2 3.93Å; Y71-W140 HydrophobicContact CD2-CG 4.12Å; Y71-W140 AromaticContact CD2-NE1 3.41Å; Y71-W140 HydrophobicContact CE1-CZ2 4.02Å; Y71-W140 AromaticContact CE2-NE1 3.67Å; Y71-W140 AromaticContact CG-CD1 3.87Å; Y71-W140 AromaticContact CG-CD2 3.92Å; Y71-W140 HydrophobicContact CG-CD2 3.92Å; Y71-W140 AromaticContact CG-CE2 3.63Å; Y71-W140 HydrophobicContact CG-CG 4.08Å; Y71-W140 HydrophobicContact CG-CZ2 4.07Å; Y71-W140 AromaticContact CG-NE1 3.63Å; W107-W140 HydrophobicContact CE3-CZ3 4.39Å; W107-W140 AromaticContact CH2-CH2 3.75Å; W107-W140 HydrophobicContact CH2-CH2 3.75Å; W107-W140 HydrophobicContact CH2-CZ2 4.48Å; W107-W140 HydrophobicContact CH2-CZ3 4.09Å; W107-W140 HydrophobicContact CZ3-CE3 4.26Å; W107-W140 AromaticContact CZ3-CH2 3.73Å; W107-W140 HydrophobicContact CZ3-CH2 3.73Å; W107-W140 AromaticContact CZ3-CZ3 3.58Å; W107-W140 HydrophobicContact CZ3-CZ3 3.58Å; V138-W140 HydrophobicContact CB-CH2 3.47Å; V138-W140 VanDerWaalsContact CB-CH2 3.47Å; V138-W140 HydrophobicContact CB-CZ2 4.11Å; V138-W140 HydrophobicContact CB-CZ3 3.75Å; V138-W140 HydrophobicContact CG1-CD2 4.34Å; V138-W140 HydrophobicContact CG1-CE3 4.23Å; V138-W140 HydrophobicContact CG1-CH2 3.19Å; V138-W140 HydrophobicContact CG1-CZ2 3.28Å; V138-W140 HydrophobicContact CG1-CZ3 3.69Å; V138-W140 HydrophobicContact CG2-CH2 4.49Å; V138-W140 WeakPolarHBondContact O-CZ3 3.38Å; W140-I144 CarbonylContact C-O 3.48Å; W140-I144 WeakPolarHBondContact CA-O 3.19Å; W140-H145 VanDerWaalsContact CD1-CA 3.47Å; W140-H145 VanDerWaalsContact CD1-N 3.34Å; W140-V174 WeakPolarHBondContact O-CA 3.43Å; W140-T175 HydrophobicContact CE3-CG2 4.49Å; W140-T175 PolarHBondContact N-O 2.82Å; W140-T175 PolarHBondContact O-N 3.39Å; W140-A177 HydrophobicContact CH2-CB 3.9Å; W140-A177 HydrophobicContact CZ3-CB 3.62Å
141	V	97.8	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.5	168.5	173.4	0	0	0	0	108.6	L128 G143 I144 V146 I160 L163 C172 R173 V174	L128-V141 HydrophobicContact CD2-CG2 3.91Å; V141-G143 PolarHBondContact O-N 2.92Å; V141-G143 VanDerWaalsContact O-N 3.14Å; V141-I144 PolarHBondContact N-O 2.81Å; V141-I144 WeakPolarHBondContact O-CB 3.17Å; V141-I144 PolarHBondContact O-N 2.86Å; V141-V146 HydrophobicContact CB-CG1 4.16Å; V141-V146 HydrophobicContact CG2-CG1 4.25Å; V141-V146 HydrophobicContact CG2-CG2 4.09Å; V141-I160 HydrophobicContact CG1-CD1 4.49Å; V141-I160 HydrophobicContact CG2-CD1 4.46Å; V141-I160 HydrophobicContact CG2-CG2 4.04Å; V141-L163 HydrophobicContact CB-CD1 4.01Å; V141-L163 HydrophobicContact CG1-CD1 4.26Å; V141-C172 VanDerWaalsContact CG1-SG 3.52Å; V141-R173 CarbonylContact C-O 3.53Å; V141-R173 WeakPolarHBondContact CA-O 3.5Å; V141-V174 HydrophobicContact CG2-CG2 4.45Å
142	N	95.6	Very high	96.6	Very high	50 Å²	50	29 Å²	29	27%	0.267	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	34.4	-174.3	-62.2	-26.7	0	0	0	112.8	I144 R173	N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 2.89Å; N142-R173 PolarHBondContact N-O 3Å; N142-R173 PolarHBondContact OD1-N 2.99Å
143	G	95.9	Very high	96.4	Very high	15 Å²	15	29.2 Å²	29.2	16%	0.155	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	3	-178.4	0	0	0	0	0	115.5	Y71 V141	Y71-G143 WeakPolarHBondContact O-CA 3.5Å; V141-G143 PolarHBondContact O-N 2.92Å; V141-G143 VanDerWaalsContact O-N 3.14Å
144	I	97.1	Very high	96.4	Very high	93 Å²	93	29.4 Å²	29.4	48%	0.477	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	175.3	-61.5	168.7	0	0	0	108.8	W140 V141 N142 L163	W140-I144 CarbonylContact C-O 3.48Å; W140-I144 WeakPolarHBondContact CA-O 3.19Å; V141-I144 PolarHBondContact N-O 2.81Å; V141-I144 WeakPolarHBondContact O-CB 3.17Å; V141-I144 PolarHBondContact O-N 2.86Å; N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 2.89Å; I144-L163 HydrophobicContact CB-CD1 4.45Å; I144-L163 HydrophobicContact CB-CD2 4.37Å; I144-L163 HydrophobicContact CD1-CD2 3.69Å; I144-L163 HydrophobicContact CG2-CD1 4.4Å; I144-L163 HydrophobicContact CG2-CD2 4.13Å
145	H	98.3	Very high	96.7	Very high	90 Å²	90	29.3 Å²	29.3	42%	0.417	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.1	177.9	173.3	-96.9	0	0	0	110.9	W140 E148	W140-H145 VanDerWaalsContact CD1-CA 3.47Å; W140-H145 VanDerWaalsContact CD1-N 3.34Å; H145-E148 WeakPolarHBondContact NE2-CG 3.44Å; H145-E148 IonicContact NE2-OE1 3.78Å
146	V	98	Very high	96.9	Very high	36 Å²	36	29.5 Å²	29.5	22%	0.218	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-36.9	-176.6	-68.4	0	0	0	0	114.7	V139 V141 A158 I160 L163	V139-V146 HydrophobicContact CB-CG2 3.92Å; V139-V146 HydrophobicContact CG1-CG2 3.65Å; V139-V146 WeakPolarHBondContact O-CG2 3.24Å; V139-V146 PolarHBondContact O-N 2.74Å; V141-V146 HydrophobicContact CB-CG1 4.16Å; V141-V146 HydrophobicContact CG2-CG1 4.25Å; V141-V146 HydrophobicContact CG2-CG2 4.09Å; V146-A158 HydrophobicContact CB-CB 3.99Å; V146-A158 HydrophobicContact CG2-CB 4.2Å; V146-I160 HydrophobicContact CG1-CG2 4.17Å; V146-L163 HydrophobicContact CG1-CD1 3.37Å
147	V	97.9	Very high	96.9	Very high	27 Å²	27	28.1 Å²	28.1	16%	0.164	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	150.1	-179.4	63.7	0	0	0	0	111.5	V139 F156 A158	V139-V147 HydrophobicContact CB-CG1 3.82Å; V139-V147 HydrophobicContact CG1-CG1 4.49Å; V139-V147 HydrophobicContact CG2-CG1 3.89Å; V139-V147 PolarHBondContact N-O 2.78Å; V147-F156 HydrophobicContact CG1-CD2 3.9Å; V147-F156 HydrophobicContact CG1-CE2 4.05Å; V147-F156 HydrophobicContact CG2-CD2 4.09Å; V147-A158 HydrophobicContact CB-CB 3.98Å; V147-A158 HydrophobicContact CG1-CB 3.89Å
148	E	98.1	Very high	96.9	Very high	100 Å²	100	28.6 Å²	28.6	47%	0.467	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.9	167.7	-53.3	-177.4	156.9	0	0	109	Y136 A137 V138 H145	Y136-E148 PolarHBondContact OH-OE2 2.83Å; A137-E148 CarbonylContact O-C 3.52Å; A137-E148 WeakPolarHBondContact O-CA 3.5Å; V138-E148 HydrophobicContact CG1-CG 4.16Å; V138-E148 HydrophobicContact CG2-CG 4.21Å; H145-E148 WeakPolarHBondContact NE2-CG 3.44Å; H145-E148 IonicContact NE2-OE1 3.78Å
149	H	98.1	Very high	96.8	Very high	19 Å²	19	32.3 Å²	32.3	9%	0.088	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.9	176.1	-179.1	-99.4	0	0	0	111.1	Y136 A137 G151 F156 E435	Y136-H149 CarbonylContact C-O 3.58Å; Y136-H149 WeakPolarHBondContact CA-O 3.41Å; A137-H149 PolarHBondContact N-O 2.75Å; A137-H149 PolarHBondContact O-N 3.43Å; H149-G151 PolarHBondContact CE1-O 3.39Å; H149-G151 PolarHBondContact ND1-O 2.83Å; H149-F156 HydrophobicContact CB-CB 3.97Å; H149-F156 HydrophobicContact CB-CD1 3.36Å; H149-F156 HydrophobicContact CB-CD2 3.69Å; H149-F156 HydrophobicContact CB-CE1 3.64Å; H149-F156 HydrophobicContact CB-CE2 3.93Å; H149-F156 HydrophobicContact CB-CG 3.39Å; H149-F156 HydrophobicContact CB-CZ 3.92Å; H149-F156 AromaticContact CD2-CD1 3.87Å; H149-F156 AromaticContact CD2-CG 3.97Å; H149-F156 AromaticContact CG-CD1 3.24Å; H149-F156 AromaticContact CG-CE1 3.81Å; H149-F156 AromaticContact CG-CG 3.57Å; H149-F156 AromaticContact ND1-CD1 3.38Å; H149-F156 WeakPolarHBondContact ND1-CD1 3.26Å; H149-F156 AromaticContact ND1-CE1 3.71Å; H149-E435 IonicContact CD2-OE2 3.62Å; H149-E435 IonicContact CE1-OE2 2.68Å; H149-E435 IonicContact NE2-OE1 3.5Å; H149-E435 IonicContact NE2-OE2 3.54Å; H149-E435 PolarHBondContact NE2-OE2 2.96Å
150	E	96.6	Very high	96.7	Very high	76 Å²	76	32.4 Å²	32.4	36%	0.355	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.9	175.4	-173.6	173	175.5	0	0	109.8	Y135 Y136	Y135-E150 HydrophobicContact CD1-CG 4.27Å; Y135-E150 HydrophobicContact CE1-CG 3.39Å; Y136-E150 HydrophobicContact CD2-CB 3.71Å; Y136-E150 HydrophobicContact CD2-CG 3.96Å; Y136-E150 HydrophobicContact CE2-CB 4.06Å
151	G	92.5	Very high	96.6	Very high	7 Å²	7	32.4 Å²	32.4	7%	0.072	17%	0.171	C	C	.	.			trans	151.7	136.1	179	0	0	0	0	0	112.4	A133 Y135 H149	A133-G151 VanDerWaalsContact O-O 3.07Å; Y135-G151 CarbonylContact O-C 3.44Å; Y135-G151 PolarHBondContact O-N 2.86Å; H149-G151 PolarHBondContact CE1-O 3.39Å; H149-G151 PolarHBondContact ND1-O 2.83Å
152	G	87.7	Confident	96.4	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-83.1	-19.8	-170.8	0	0	0	0	0	117	S132 H134	S132-G152 PolarHBondContact OG-O 3.31Å; H134-G152 WeakPolarHBondContact ND1-CA 3.5Å
153	H	93.6	Very high	96.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.019	21%	0.206	C	C	.	.	S	Bend	trans	-130	2.1	-159.8	-60.9	-73.2	0	0	0	114.5	R222 Y389 R439	H153-R222 PolarHBondContact O-NH1 2.89Å; H153-Y389 WeakPolarHBondContact CD2-CB 3.48Å; H153-Y389 AromaticContact CD2-CG 3.82Å; H153-Y389 AromaticContact CE1-CD1 3.81Å; H153-Y389 AromaticContact CE1-CD2 3.45Å; H153-Y389 VanDerWaalsContact CE1-CD2 3.45Å; H153-Y389 WeakPolarHBondContact CE1-CD2 3.47Å; H153-Y389 AromaticContact CE1-CE2 3.88Å; H153-Y389 AromaticContact CE1-CG 3.42Å; H153-Y389 VanDerWaalsContact CE1-CG 3.42Å; H153-Y389 AromaticContact CG-CG 3.93Å; H153-Y389 AromaticContact ND1-CD2 3.43Å; H153-Y389 WeakPolarHBondContact ND1-CD2 3.21Å; H153-Y389 AromaticContact ND1-CG 3.69Å; H153-Y389 AromaticContact NE2-CD1 3.73Å; H153-Y389 AromaticContact NE2-CG 3.5Å; H153-R439 PolarHBondContact O-NH1 2.97Å
154	L	97.5	Very high	96.1	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	20%	0.199	C	C	.	.	S	Bend	trans	-119.5	148	-175.6	-67.4	166.9	0	0	0	109.9	P390 V432 E435 L436	L154-P390 HydrophobicContact CD2-CB 4.1Å; L154-P390 HydrophobicContact CD2-CG 4.01Å; L154-P390 HydrophobicContact CG-CG 4.39Å; L154-V432 HydrophobicContact CD1-CG1 4.1Å; L154-E435 HydrophobicContact CB-CB 4.43Å; L154-E435 HydrophobicContact CD1-CB 3.51Å; L154-E435 HydrophobicContact CG-CB 4.4Å; L154-L436 HydrophobicContact CD1-CB 4.5Å; L154-L436 HydrophobicContact CD2-CD1 4.45Å
155	P	98.3	Very high	95.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.013	18%	0.182	C	C	.	.			trans	-81.4	152.7	-174.5	32.9	-36.6	0	0	0	112.3	M34 R129 I130 R439	M34-P155 HydrophobicContact CG-CB 4.44Å; M34-P155 HydrophobicContact CG-CG 3.63Å; M34-P155 HydrophobicContact SD-CB 4.24Å; M34-P155 HydrophobicContact SD-CG 4.07Å; R129-P155 VanDerWaalsContact NH2-CB 3.26Å; I130-P155 VanDerWaalsContact O-CA 3.29Å; I130-P155 WeakPolarHBondContact O-CA 3.47Å; P155-R439 HydrophobicContact CG-CG 4.24Å
156	F	98.3	Very high	95.1	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.3	171.6	59.1	-82.9	0	0	0	110.3	I130 A133 A137 V139 V147 H149	I130-F156 HydrophobicContact CB-CD1 4.39Å; I130-F156 HydrophobicContact CB-CD2 4.47Å; I130-F156 HydrophobicContact CB-CE1 3.88Å; I130-F156 HydrophobicContact CB-CE2 3.97Å; I130-F156 HydrophobicContact CB-CZ 3.65Å; I130-F156 HydrophobicContact CD1-CD2 4.37Å; I130-F156 HydrophobicContact CD1-CE2 3.87Å; I130-F156 HydrophobicContact CD1-CZ 4.34Å; I130-F156 HydrophobicContact CG1-CE2 4.07Å; I130-F156 HydrophobicContact CG1-CZ 4.01Å; I130-F156 HydrophobicContact CG2-CE1 3.77Å; I130-F156 HydrophobicContact CG2-CZ 3.72Å; I130-F156 PolarHBondContact N-O 3.5Å; I130-F156 PolarHBondContact O-N 3.4Å; I130-F156 VanDerWaalsContact O-N 3.12Å; A133-F156 HydrophobicContact CB-CE1 4.08Å; A133-F156 HydrophobicContact CB-CZ 4.17Å; A137-F156 HydrophobicContact CB-CE1 4.31Å; A137-F156 HydrophobicContact CB-CE2 4.42Å; A137-F156 HydrophobicContact CB-CZ 3.66Å; V139-F156 HydrophobicContact CG2-CE2 3.8Å; V139-F156 HydrophobicContact CG2-CZ 4.42Å; V147-F156 HydrophobicContact CG1-CD2 3.9Å; V147-F156 HydrophobicContact CG1-CE2 4.05Å; V147-F156 HydrophobicContact CG2-CD2 4.09Å; H149-F156 HydrophobicContact CB-CB 3.97Å; H149-F156 HydrophobicContact CB-CD1 3.36Å; H149-F156 HydrophobicContact CB-CD2 3.69Å; H149-F156 HydrophobicContact CB-CE1 3.64Å; H149-F156 HydrophobicContact CB-CE2 3.93Å; H149-F156 HydrophobicContact CB-CG 3.39Å; H149-F156 HydrophobicContact CB-CZ 3.92Å; H149-F156 AromaticContact CD2-CD1 3.87Å; H149-F156 AromaticContact CD2-CG 3.97Å; H149-F156 AromaticContact CG-CD1 3.24Å; H149-F156 AromaticContact CG-CE1 3.81Å; H149-F156 AromaticContact CG-CG 3.57Å; H149-F156 AromaticContact ND1-CD1 3.38Å; H149-F156 WeakPolarHBondContact ND1-CD1 3.26Å; H149-F156 AromaticContact ND1-CE1 3.71Å
157	E	98.4	Very high	93.5	Very high	39 Å²	39	37.1 Å²	37.1	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.3	-174.9	63.6	170.5	-123.7	0	0	113.5	M34 R125 V127 L128 R129 Y227	M34-E157 HydrophobicContact CE-CG 4.33Å; M34-E157 HydrophobicContact SD-CG 4.38Å; R125-E157 IonicContact NH2-OE1 3.95Å; R125-E157 PolarHBondContact NH2-OE1 3.28Å; V127-E157 HydrophobicContact CG1-CB 3.85Å; V127-E157 HydrophobicContact CG1-CG 4.23Å; L128-E157 CarbonylContact O-C 3.54Å; L128-E157 WeakPolarHBondContact O-CA 3.41Å; L128-E157 WeakPolarHBondContact O-CB 3.25Å; R129-E157 HydrophobicContact CB-CB 4.02Å; R129-E157 HydrophobicContact CG-CB 4.27Å; R129-E157 IonicContact NH1-OE2 3.63Å; E157-Y227 PolarHBondContact OE1-OH 2.95Å; E157-Y227 WeakPolarHBondContact OE2-CE1 3.23Å; E157-Y227 PolarHBondContact OE2-OH 2.92Å
158	A	98.2	Very high	91.9	Very high	11 Å²	11	42.5 Å²	42.5	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.3	174.7	0	0	0	0	0	110.9	V127 L128 V146 V147 I160	V127-A158 WeakPolarHBondContact CA-O 3.37Å; V127-A158 WeakPolarHBondContact CG1-O 3.18Å; L128-A158 PolarHBondContact N-O 3.36Å; L128-A158 PolarHBondContact O-N 3.31Å; V146-A158 HydrophobicContact CB-CB 3.99Å; V146-A158 HydrophobicContact CG2-CB 4.2Å; V147-A158 HydrophobicContact CB-CB 3.98Å; V147-A158 HydrophobicContact CG1-CB 3.89Å; A158-I160 HydrophobicContact CB-CG2 4.3Å; A158-I160 PolarHBondContact O-N 3.32Å
159	D	97.6	Very high	90.6	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.444	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.4	165.9	-172.5	-32.4	0	0	0	109.5	R125 S161	R125-D159 WeakPolarHBondContact CD-OD2 3.44Å; R125-D159 WeakPolarHBondContact CG-OD2 3.35Å; R125-D159 IonicContact CZ-OD2 3.24Å; R125-D159 IonicContact NE-OD2 3.42Å; R125-D159 PolarHBondContact NE-OD2 2.81Å; D159-S161 VanDerWaalsContact OD1-CB 3.25Å; D159-S161 WeakPolarHBondContact OD1-CB 3.35Å; D159-S161 PolarHBondContact OD1-N 3.44Å; D159-S161 PolarHBondContact OD1-OG 2.91Å
160	I	97	Very high	89.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.259	C	S	.	.			trans	-113.1	10.2	-177.5	65.7	165	0	0	0	112.4	V126 L128 V141 V146 A158 K162 L163 V164 L226	V126-I160 HydrophobicContact CB-CG1 4.34Å; V126-I160 HydrophobicContact CG1-CD1 4.25Å; V126-I160 HydrophobicContact CG1-CG1 4.02Å; V126-I160 WeakPolarHBondContact O-CG1 3.23Å; V126-I160 PolarHBondContact O-N 3.24Å; L128-I160 HydrophobicContact CB-CD1 4.24Å; L128-I160 HydrophobicContact CB-CG2 4.21Å; V141-I160 HydrophobicContact CG1-CD1 4.49Å; V141-I160 HydrophobicContact CG2-CD1 4.46Å; V141-I160 HydrophobicContact CG2-CG2 4.04Å; V146-I160 HydrophobicContact CG1-CG2 4.17Å; A158-I160 HydrophobicContact CB-CG2 4.3Å; A158-I160 PolarHBondContact O-N 3.32Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 3.37Å; I160-L163 WeakPolarHBondContact O-CA 3.28Å; I160-L163 WeakPolarHBondContact O-CB 3.3Å; I160-L163 PolarHBondContact O-N 2.91Å; I160-V164 HydrophobicContact CD1-CG1 3.84Å; I160-V164 HydrophobicContact CG1-CG1 4.24Å; I160-V164 PolarHBondContact O-N 2.96Å; I160-V164 VanDerWaalsContact O-N 3.12Å; I160-L226 HydrophobicContact CD1-CD2 3.63Å
161	S	95.9	Very high	88.8	Confident	11 Å²	11	43.6 Å²	43.6	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-51.7	-50.6	-174.2	-45.8	0	0	0	0	111.4	R125 V126 D159 L163 V164 Q165	R125-S161 WeakPolarHBondContact CA-OG 3.27Å; V126-S161 PolarHBondContact N-OG 2.84Å; V126-S161 PolarHBondContact O-N 2.85Å; V126-S161 PolarHBondContact O-OG 2.67Å; D159-S161 VanDerWaalsContact OD1-CB 3.25Å; D159-S161 WeakPolarHBondContact OD1-CB 3.35Å; D159-S161 PolarHBondContact OD1-N 3.44Å; D159-S161 PolarHBondContact OD1-OG 2.91Å; S161-L163 PolarHBondContact O-N 3.43Å; S161-L163 VanDerWaalsContact O-N 3.17Å; S161-V164 PolarHBondContact O-N 2.86Å; S161-V164 VanDerWaalsContact O-N 3.16Å; S161-Q165 VanDerWaalsContact O-CB 3.25Å; S161-Q165 WeakPolarHBondContact O-CB 3.4Å; S161-Q165 WeakPolarHBondContact O-CG 3.18Å; S161-Q165 PolarHBondContact O-N 3.23Å; S161-Q165 PolarHBondContact O-OE1 3.1Å
162	K	93.7	Very high	88.7	Confident	177 Å²	177	43.3 Å²	43.3	77%	0.77	26%	0.255	S	S	*	.	H	α-helix	trans	-58.6	-32.7	179	-66.5	-178.2	-178.8	174.7	0	113.2	I160 S166	I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 3.37Å; K162-S166 VanDerWaalsContact O-CB 3.3Å; K162-S166 WeakPolarHBondContact O-CB 3.37Å; K162-S166 PolarHBondContact O-OG 3.39Å
163	L	93.3	Very high	89.2	Confident	44 Å²	44	44.2 Å²	44.2	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-77.6	-35.4	-178.7	-62.8	-179.5	0	0	0	112	V141 I144 V146 I160 S161 L169	V141-L163 HydrophobicContact CB-CD1 4.01Å; V141-L163 HydrophobicContact CG1-CD1 4.26Å; I144-L163 HydrophobicContact CB-CD1 4.45Å; I144-L163 HydrophobicContact CB-CD2 4.37Å; I144-L163 HydrophobicContact CD1-CD2 3.69Å; I144-L163 HydrophobicContact CG2-CD1 4.4Å; I144-L163 HydrophobicContact CG2-CD2 4.13Å; V146-L163 HydrophobicContact CG1-CD1 3.37Å; I160-L163 WeakPolarHBondContact O-CA 3.28Å; I160-L163 WeakPolarHBondContact O-CB 3.3Å; I160-L163 PolarHBondContact O-N 2.91Å; S161-L163 PolarHBondContact O-N 3.43Å; S161-L163 VanDerWaalsContact O-N 3.17Å; L163-L169 WeakPolarHBondContact O-CD1 3.34Å
164	V	92.8	Very high	89.4	Confident	2 Å²	2	44 Å²	44	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-94.7	-15.1	-174.8	-56.6	0	0	0	0	113.5	L114 T119 V126 I160 S161	L114-V164 HydrophobicContact CD1-CB 3.69Å; L114-V164 HydrophobicContact CD1-CG1 3.75Å; L114-V164 HydrophobicContact CD1-CG2 4.18Å; T119-V164 WeakPolarHBondContact CG2-O 3.44Å; V126-V164 HydrophobicContact CB-CG2 4.05Å; V126-V164 HydrophobicContact CG1-CG2 4.24Å; V126-V164 HydrophobicContact CG2-CG2 4.05Å; I160-V164 HydrophobicContact CD1-CG1 3.84Å; I160-V164 HydrophobicContact CG1-CG1 4.24Å; I160-V164 PolarHBondContact O-N 2.96Å; I160-V164 VanDerWaalsContact O-N 3.12Å; S161-V164 PolarHBondContact O-N 2.86Å; S161-V164 VanDerWaalsContact O-N 3.16Å
165	Q	92.4	Very high	89.5	Confident	23 Å²	23	43.8 Å²	43.8	11%	0.107	26%	0.255	C	S	.	.	S	Bend	trans	-101.7	-5.3	178.5	-65.8	165.5	-12.7	0	0	113.6	W118 D121 M122 M124 S161 G167	W118-Q165 WeakPolarHBondContact O-CG 3.37Å; W118-Q165 PolarHBondContact O-NE2 3.47Å; D121-Q165 PolarHBondContact O-NE2 2.84Å; M122-Q165 HydrophobicContact CE-CB 4.14Å; M122-Q165 HydrophobicContact SD-CB 3.74Å; M122-Q165 HydrophobicContact SD-CG 4.24Å; M124-Q165 PolarHBondContact O-NE2 2.98Å; S161-Q165 VanDerWaalsContact O-CB 3.25Å; S161-Q165 WeakPolarHBondContact O-CB 3.4Å; S161-Q165 WeakPolarHBondContact O-CG 3.18Å; S161-Q165 PolarHBondContact O-N 3.23Å; S161-Q165 PolarHBondContact O-OE1 3.1Å; Q165-G167 PolarHBondContact O-N 3.12Å
166	S	80.9	Confident	89.5	Confident	93 Å²	93	43.7 Å²	43.7	65%	0.65	26%	0.255	S	S	*	.	S	Bend	trans	-87.6	75.5	177.7	-65.5	0	0	0	0	111.9	K162	K162-S166 VanDerWaalsContact O-CB 3.3Å; K162-S166 WeakPolarHBondContact O-CB 3.37Å; K162-S166 PolarHBondContact O-OG 3.39Å
167	G	65.4	Low	89.5	Confident	44 Å²	44	43.3 Å²	43.3	45%	0.454	25%	0.253	S	S	.	.	S	Bend	trans	108.6	178.9	173.2	0	0	0	0	0	114.7	Q165 L169	Q165-G167 PolarHBondContact O-N 3.12Å; G167-L169 PolarHBondContact O-N 3.48Å
168	P	63.4	Low	89.6	Confident	140 Å²	140	41.5 Å²	41.5	91%	0.909	24%	0.244	S	C	*	.			trans	-75.4	74.3	-176	32.2	-34.7	0	0	0	111
169	L	70	Confident	89.6	Confident	58 Å²	58	42.2 Å²	42.2	30%	0.304	25%	0.247	S	C	.	.			trans	-94.2	114.8	174.3	-72.7	166.9	0	0	0	109.7	L163 G167	L163-L169 WeakPolarHBondContact O-CD1 3.34Å; G167-L169 PolarHBondContact O-N 3.48Å
170	T	71.5	Confident	89.6	Confident	108 Å²	108	38.5 Å²	38.5	66%	0.663	23%	0.227	S	C	*	.			trans	-89.2	-19.9	172.2	51.5	0	0	0	0	112.6
171	T	85.6	Confident	89.7	Confident	53 Å²	53	40.1 Å²	40.1	33%	0.325	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145	-173.8	53.1	0	0	0	0	111.4	A112 I113	A112-T171 CarbonylContact O-C 3.6Å; A112-T171 WeakPolarHBondContact O-CA 3.39Å; I113-T171 HydrophobicContact CG1-CG2 4.14Å
172	C	92.3	Very high	89.8	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.3	174.7	177.6	0	0	0	0	108.6	E111 A112 L114 V141	E111-C172 CarbonylContact C-O 3.59Å; E111-C172 WeakPolarHBondContact CA-O 3.41Å; A112-C172 PolarHBondContact N-O 2.99Å; A112-C172 PolarHBondContact O-N 3.44Å; L114-C172 HydrophobicContact CD1-CB 3.9Å; L114-C172 HydrophobicContact CD2-CB 4.07Å; L114-C172 HydrophobicContact CG-CB 3.95Å; V141-C172 VanDerWaalsContact CG1-SG 3.52Å
173	R	96.8	Very high	90	Very high	21 Å²	21	33.8 Å²	33.8	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113	176.1	-174.6	171.1	63.1	76.8	3.5	109.2	Y71 R72 Q73 E109 E111 V141 N142 T175	Y71-R173 PolarHBondContact O-NH1 2.58Å; Y71-R173 PolarHBondContact O-NH2 2.82Å; R72-R173 PolarHBondContact O-NH2 3.25Å; Q73-R173 PolarHBondContact O-NH1 2.86Å; E109-R173 HydrophobicContact CG-CG 3.91Å; E109-R173 WeakPolarHBondContact OE2-CD 3.35Å; E109-R173 IonicContact OE2-CZ 3.62Å; E109-R173 IonicContact OE2-NE 2.84Å; E109-R173 IonicContact OE2-NH1 3.96Å; E109-R173 PolarHBondContact OE2-NH1 2.89Å; E111-R173 HydrophobicContact CG-CB 4.04Å; E111-R173 HydrophobicContact CG-CG 4.02Å; V141-R173 CarbonylContact C-O 3.53Å; V141-R173 WeakPolarHBondContact CA-O 3.5Å; N142-R173 PolarHBondContact N-O 3Å; N142-R173 PolarHBondContact OD1-N 2.99Å; R173-T175 PolarHBondContact NH1-OG1 3.26Å; R173-T175 VanDerWaalsContact NH1-OG1 3.1Å
174	V	98.6	Very high	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.1	177.2	-177.2	0	0	0	0	108.4	L48 W52 E109 R110 L128 V139 W140 V141 I176	L48-V174 HydrophobicContact CD1-CG2 4.32Å; W52-V174 HydrophobicContact CH2-CB 4.08Å; W52-V174 HydrophobicContact CH2-CG1 3.85Å; W52-V174 HydrophobicContact CZ3-CB 4.24Å; W52-V174 HydrophobicContact CZ3-CG1 4.07Å; E109-V174 CarbonylContact C-O 3.59Å; E109-V174 VanDerWaalsContact CA-O 3.28Å; E109-V174 WeakPolarHBondContact CA-O 3.4Å; R110-V174 PolarHBondContact N-O 3.33Å; R110-V174 PolarHBondContact O-N 2.94Å; L128-V174 HydrophobicContact CD1-CG1 4.43Å; L128-V174 HydrophobicContact CD1-CG2 4.48Å; L128-V174 HydrophobicContact CD2-CG1 3.7Å; L128-V174 HydrophobicContact CD2-CG2 4.27Å; V139-V174 HydrophobicContact CG1-CG1 4.49Å; W140-V174 WeakPolarHBondContact O-CA 3.43Å; V141-V174 HydrophobicContact CG2-CG2 4.45Å; V174-I176 HydrophobicContact CG1-CD1 4.24Å; V174-I176 HydrophobicContact CG1-CG1 4.07Å
175	T	98.9	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133	174.1	-49.3	0	0	0	0	108.7	W107 Y108 E109 W140 R173	W107-T175 HydrophobicContact CE3-CG2 3.89Å; W107-T175 HydrophobicContact CZ3-CG2 4.31Å; Y108-T175 CarbonylContact O-C 3.58Å; Y108-T175 VanDerWaalsContact O-CA 3.3Å; Y108-T175 WeakPolarHBondContact O-CA 3.47Å; E109-T175 HydrophobicContact CB-CG2 4.49Å; E109-T175 PolarHBondContact OE2-OG1 2.86Å; E109-T175 VanDerWaalsContact OE2-OG1 3.06Å; W140-T175 HydrophobicContact CE3-CG2 4.49Å; W140-T175 PolarHBondContact N-O 2.82Å; W140-T175 PolarHBondContact O-N 3.39Å; R173-T175 PolarHBondContact NH1-OG1 3.26Å; R173-T175 VanDerWaalsContact NH1-OG1 3.1Å
176	I	98.8	Very high	90.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.2	-179.5	-53.8	175	0	0	0	108.5	W52 W107 Y108 I130 V138 V139 V174 I178 L220 V224	W52-I176 HydrophobicContact CH2-CD1 4.02Å; W52-I176 HydrophobicContact CZ3-CD1 4.05Å; W52-I176 HydrophobicContact CZ3-CG1 4.33Å; W107-I176 CarbonylContact C-O 3.14Å; W107-I176 WeakPolarHBondContact CA-O 3.2Å; Y108-I176 PolarHBondContact N-O 2.58Å; Y108-I176 PolarHBondContact O-N 2.85Å; I130-I176 HydrophobicContact CG1-CD1 4Å; V138-I176 WeakPolarHBondContact O-CA 3.36Å; V139-I176 HydrophobicContact CG1-CG1 4.2Å; V139-I176 HydrophobicContact CG2-CG1 4.23Å; V139-I176 HydrophobicContact CG2-CG2 4.21Å; V174-I176 HydrophobicContact CG1-CD1 4.24Å; V174-I176 HydrophobicContact CG1-CG1 4.07Å; I176-I178 HydrophobicContact CG2-CD1 4.25Å; I176-I178 HydrophobicContact CG2-CG1 3.83Å; I176-L220 HydrophobicContact CD1-CD1 4.14Å; I176-L220 HydrophobicContact CD1-CD2 4.23Å; I176-L220 HydrophobicContact CG2-CD2 4.47Å; I176-V224 HydrophobicContact CD1-CG2 4.49Å
177	A	98.9	Very high	91.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.2	168.9	0	0	0	0	0	109.1	F66 W105 V106 W107 A137 V138 W140	F66-A177 HydrophobicContact CZ-CB 4.07Å; W105-A177 HydrophobicContact CE3-CB 3.84Å; W105-A177 HydrophobicContact CZ3-CB 4.08Å; V106-A177 CarbonylContact O-C 3.59Å; V106-A177 VanDerWaalsContact O-CA 3.3Å; V106-A177 WeakPolarHBondContact O-CA 3.36Å; W107-A177 HydrophobicContact CD2-CB 3.93Å; W107-A177 HydrophobicContact CE3-CB 3.84Å; W107-A177 HydrophobicContact CH2-CB 3.92Å; W107-A177 HydrophobicContact CZ2-CB 4.02Å; W107-A177 HydrophobicContact CZ3-CB 3.83Å; A137-A177 CarbonylContact C-O 3.52Å; A137-A177 VanDerWaalsContact CA-O 3.3Å; A137-A177 WeakPolarHBondContact CA-O 3.16Å; V138-A177 PolarHBondContact N-O 3.44Å; V138-A177 PolarHBondContact O-N 3.49Å; W140-A177 HydrophobicContact CH2-CB 3.9Å; W140-A177 HydrophobicContact CZ3-CB 3.62Å
178	I	98.8	Very high	93	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.3	-178	-53.8	177.3	0	0	0	109.4	W105 V106 Y108 A133 H134 Y136 I176 L220	W105-I178 CarbonylContact C-O 3.53Å; W105-I178 WeakPolarHBondContact CA-O 3.44Å; V106-I178 HydrophobicContact CG2-CB 3.95Å; V106-I178 PolarHBondContact N-O 2.87Å; V106-I178 PolarHBondContact O-N 2.78Å; Y108-I178 HydrophobicContact CD2-CD1 4.07Å; Y108-I178 HydrophobicContact CE2-CD1 4.05Å; A133-I178 HydrophobicContact CB-CD1 3.98Å; A133-I178 HydrophobicContact CB-CG1 4.33Å; H134-I178 WeakPolarHBondContact O-CG2 3.24Å; Y136-I178 CarbonylContact O-C 3.6Å; Y136-I178 WeakPolarHBondContact O-CA 3.43Å; I176-I178 HydrophobicContact CG2-CD1 4.25Å; I176-I178 HydrophobicContact CG2-CG1 3.83Å; I178-L220 HydrophobicContact CD1-CD2 3.63Å; I178-L220 HydrophobicContact CD1-CG 3.72Å
179	N	98.7	Very high	94.7	Very high	27 Å²	27	21.8 Å²	21.8	14%	0.144	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.5	174	-163.3	-32.7	0	0	0	110.7	G104 W105 Y135 Y136 T181	G104-N179 WeakPolarHBondContact O-CA 3.29Å; W105-N179 HydrophobicContact CD2-CB 3.67Å; W105-N179 HydrophobicContact CE3-CB 3.64Å; W105-N179 HydrophobicContact CG-CB 4.42Å; W105-N179 HydrophobicContact CH2-CB 3.89Å; W105-N179 HydrophobicContact CZ2-CB 3.88Å; W105-N179 HydrophobicContact CZ3-CB 3.74Å; W105-N179 PolarHBondContact NE1-ND2 3.04Å; W105-N179 VanDerWaalsContact NE1-ND2 3.13Å; Y135-N179 WeakPolarHBondContact CA-O 3.43Å; Y135-N179 PolarHBondContact N-O 2.9Å; Y136-N179 PolarHBondContact N-O 3.44Å; Y136-N179 PolarHBondContact O-N 3.46Å; N179-T181 WeakPolarHBondContact OD1-CB 3.44Å; N179-T181 PolarHBondContact OD1-N 3.2Å; N179-T181 PolarHBondContact OD1-OG1 3.44Å
180	N	98.4	Very high	96	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.112	C	C	.	.			trans	-101.2	12.2	-179.4	69.7	-19.1	0	0	0	114.3	F102 I103 G104 N216 A218	F102-N180 PolarHBondContact O-ND2 3.47Å; I103-N180 WeakPolarHBondContact CA-OD1 3.46Å; G104-N180 PolarHBondContact N-OD1 2.8Å; G104-N180 PolarHBondContact O-N 2.86Å; G104-N180 PolarHBondContact O-OD1 3.35Å; N180-N216 PolarHBondContact O-ND2 3.36Å; N180-A218 HydrophobicContact CB-CB 3.43Å; N180-A218 VanDerWaalsContact CB-CB 3.43Å
181	T	98.5	Very high	97.2	Very high	35 Å²	35	15.4 Å²	15.4	22%	0.215	9%	0.09	C	C	.	.			trans	-70.5	127.6	175.6	-55.1	0	0	0	0	110	I103 N179 I192	I103-T181 WeakPolarHBondContact CG2-OG1 3.22Å; N179-T181 WeakPolarHBondContact OD1-CB 3.44Å; N179-T181 PolarHBondContact OD1-N 3.2Å; N179-T181 PolarHBondContact OD1-OG1 3.44Å; T181-I192 HydrophobicContact CG2-CD1 3.98Å; T181-I192 HydrophobicContact CG2-CG1 3.83Å
182	L	98.4	Very high	97.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.087	C	C	.	.			trans	-103.3	136.3	174.7	-56.8	179.4	0	0	0	110.1	Y135 T186 P188 G190 Q208 I210 F212	Y135-L182 HydrophobicContact CD2-CD2 4.18Å; Y135-L182 HydrophobicContact CG-CD2 4.11Å; L182-T186 WeakPolarHBondContact CA-OG1 3.49Å; L182-P188 HydrophobicContact CD1-CG 4.09Å; L182-G190 CarbonylContact O-C 2.91Å; L182-Q208 PolarHBondContact O-NE2 2.9Å; L182-Q208 PolarHBondContact O-OE1 3.23Å; L182-I210 HydrophobicContact CD1-CG2 4.05Å; L182-F212 HydrophobicContact CD1-CE1 3.65Å; L182-F212 HydrophobicContact CD1-CZ 3.55Å
183	T	97.9	Very high	98	Very high	54 Å²	54	18.1 Å²	18.1	33%	0.331	10%	0.101	S	C	.	.			trans	-118.2	172.8	-177.7	82.5	0	0	0	0	109.8	H185 T186 P189 G190	T183-H185 PolarHBondContact O-N 2.94Å; T183-H185 PolarHBondContact OG1-N 3.39Å; T183-H185 VanDerWaalsContact OG1-N 3.13Å; T183-T186 HydrophobicContact CG2-CG2 4.17Å; T183-T186 PolarHBondContact N-OG1 3.17Å; T183-T186 PolarHBondContact O-N 2.85Å; T183-T186 PolarHBondContact O-OG1 3.49Å; T183-T186 PolarHBondContact OG1-N 3.48Å; T183-P189 CarbonylContact O-C 3.19Å; T183-P189 VanDerWaalsContact O-CA 3.22Å; T183-P189 WeakPolarHBondContact O-CA 3.36Å; T183-G190 CarbonylContact C-O 3.58Å; T183-G190 WeakPolarHBondContact CA-O 3.47Å; T183-G190 PolarHBondContact O-N 2.82Å
184	P	97.6	Very high	98	Very high	29 Å²	29	24.9 Å²	24.9	19%	0.188	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.5	174	-29	38.9	0	0	0	114.5	G190 Q419 S420 S425	P184-G190 WeakPolarHBondContact CD-O 3.25Å; P184-Q419 HydrophobicContact CB-CG 4.04Å; P184-Q419 HydrophobicContact CG-CG 4.49Å; P184-S420 WeakPolarHBondContact O-CA 3.38Å; P184-S420 WeakPolarHBondContact O-CB 3.33Å; P184-S420 PolarHBondContact O-OG 2.98Å; P184-S425 PolarHBondContact O-OG 2.88Å; P184-S425 VanDerWaalsContact O-OG 3.05Å
185	H	96.9	Very high	97.9	Very high	52 Å²	52	28.4 Å²	28.4	24%	0.241	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-9.7	-174.5	-51.3	-51.8	0	0	0	113.7	T183 E424 S425 H428	T183-H185 PolarHBondContact O-N 2.94Å; T183-H185 PolarHBondContact OG1-N 3.39Å; T183-H185 VanDerWaalsContact OG1-N 3.13Å; H185-E424 HydrophobicContact CB-CG 4.1Å; H185-E424 VanDerWaalsContact CD2-CD 3.47Å; H185-E424 IonicContact CD2-OE1 3.4Å; H185-E424 PolarHBondContact CD2-OE1 3.27Å; H185-E424 IonicContact CD2-OE2 3.64Å; H185-E424 IonicContact CE1-OE2 2.98Å; H185-E424 IonicContact CG-OE1 2.86Å; H185-E424 IonicContact CG-OE2 3.85Å; H185-E424 IonicContact NE2-OE2 2.88Å; H185-S425 WeakPolarHBondContact CA-OG 3.39Å; H185-S425 PolarHBondContact ND1-OG 3.43Å; H185-H428 PolarHBondContact O-CD2 3.45Å
186	T	98.3	Very high	97.7	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	18%	0.179	C	C	.	.	S	Bend	trans	-75	163.4	172.3	60.1	0	0	0	0	111.8	Y135 L182 T183 P188 P189	Y135-T186 HydrophobicContact CD1-CG2 3.8Å; Y135-T186 HydrophobicContact CE1-CG2 3.25Å; Y135-T186 VanDerWaalsContact CZ-CB 3.49Å; Y135-T186 VanDerWaalsContact OH-CA 3.31Å; Y135-T186 WeakPolarHBondContact OH-CA 3.38Å; Y135-T186 WeakPolarHBondContact OH-CB 3.28Å; L182-T186 WeakPolarHBondContact CA-OG1 3.49Å; T183-T186 HydrophobicContact CG2-CG2 4.17Å; T183-T186 PolarHBondContact N-OG1 3.17Å; T183-T186 PolarHBondContact O-N 2.85Å; T183-T186 PolarHBondContact O-OG1 3.49Å; T183-T186 PolarHBondContact OG1-N 3.48Å; T186-P188 CarbonylContact C-O 3.54Å; T186-P188 WeakPolarHBondContact CB-O 3.48Å; T186-P188 CarbonylContact O-C 3.36Å; T186-P188 PolarHBondContact OG1-O 3.35Å; T186-P189 VanDerWaalsContact O-CA 3.29Å; T186-P189 WeakPolarHBondContact O-CA 3.24Å; T186-P189 VanDerWaalsContact O-N 3.09Å
187	L	97.5	Very high	97.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-124.6	105.1	171.1	-68.7	169.7	0	0	0	110.2	Y135 P411 I415 H429 V432	Y135-L187 VanDerWaalsContact CE2-O 3.3Å; Y135-L187 WeakPolarHBondContact CE2-O 3.35Å; Y135-L187 PolarHBondContact OH-N 3.28Å; Y135-L187 VanDerWaalsContact OH-N 3.1Å; L187-P411 CarbonylContact C-O 3.49Å; L187-P411 HydrophobicContact CB-CB 4.45Å; L187-P411 HydrophobicContact CB-CG 4.05Å; L187-P411 WeakPolarHBondContact O-CB 3.44Å; L187-I415 HydrophobicContact CD2-CD1 4.18Å; L187-H429 VanDerWaalsContact CD1-CA 3.41Å; L187-H429 HydrophobicContact CD1-CB 3.6Å; L187-H429 VanDerWaalsContact CD1-CG 3.49Å; L187-V432 HydrophobicContact CD1-CB 4.32Å; L187-V432 HydrophobicContact CD1-CG2 4.13Å
188	P	98.2	Very high	97.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.228	C	C	.	.	S	Bend	cis	-73.4	154.6	5.5	30.1	-35.7	0	0	0	113.7	L182 T186 F212 P411 V413	L182-P188 HydrophobicContact CD1-CG 4.09Å; T186-P188 CarbonylContact C-O 3.54Å; T186-P188 WeakPolarHBondContact CB-O 3.48Å; T186-P188 CarbonylContact O-C 3.36Å; T186-P188 PolarHBondContact OG1-O 3.35Å; P188-F212 HydrophobicContact CB-CD1 3.58Å; P188-F212 HydrophobicContact CB-CE1 3.56Å; P188-F212 HydrophobicContact CB-CG 4.39Å; P188-F212 HydrophobicContact CB-CZ 4.34Å; P188-F212 HydrophobicContact CG-CD1 3.92Å; P188-F212 HydrophobicContact CG-CE1 3.46Å; P188-F212 VanDerWaalsContact CG-CE1 3.46Å; P188-F212 HydrophobicContact CG-CE2 4.45Å; P188-F212 HydrophobicContact CG-CZ 3.76Å; P188-P411 WeakPolarHBondContact CA-O 3.49Å; P188-V413 HydrophobicContact CB-CG1 3.92Å; P188-V413 VanDerWaalsContact CB-O 3.27Å; P188-V413 WeakPolarHBondContact CB-O 3.44Å
189	P	98.2	Very high	97.3	Very high	5 Å²	5	46 Å²	46	3%	0.032	26%	0.262	C	S	.	.			trans	-78.5	155.3	176.7	32.6	-34.2	0	0	0	112.3	T183 T186 V413 G414 I415 S420	T183-P189 CarbonylContact O-C 3.19Å; T183-P189 VanDerWaalsContact O-CA 3.22Å; T183-P189 WeakPolarHBondContact O-CA 3.36Å; T186-P189 VanDerWaalsContact O-CA 3.29Å; T186-P189 WeakPolarHBondContact O-CA 3.24Å; T186-P189 VanDerWaalsContact O-N 3.09Å; P189-V413 VanDerWaalsContact CD-O 3.24Å; P189-V413 WeakPolarHBondContact CD-O 3.39Å; P189-G414 WeakPolarHBondContact CG-O 3.24Å; P189-I415 HydrophobicContact CG-CG1 4.17Å; P189-S420 WeakPolarHBondContact CB-OG 3.26Å
190	G	97.8	Very high	97.2	Very high	5 Å²	5	50.7 Å²	50.7	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-174.5	174.5	0	0	0	0	0	112.2	L182 T183 P184 D209	L182-G190 CarbonylContact O-C 2.91Å; T183-G190 CarbonylContact C-O 3.58Å; T183-G190 WeakPolarHBondContact CA-O 3.47Å; T183-G190 PolarHBondContact O-N 2.82Å; P184-G190 WeakPolarHBondContact CD-O 3.25Å; G190-D209 CarbonylContact C-O 3.51Å; G190-D209 VanDerWaalsContact CA-O 3.24Å; G190-D209 WeakPolarHBondContact CA-O 3.38Å
191	S	97.2	Very high	97.2	Very high	27 Å²	27	54 Å²	54	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.4	173.4	-68.9	0	0	0	0	111.5	Q208 D209	S191-Q208 VanDerWaalsContact N-NE2 3.1Å; S191-Q208 PolarHBondContact O-NE2 3.38Å; S191-D209 PolarHBondContact N-O 2.81Å; S191-D209 WeakPolarHBondContact O-CB 3.42Å; S191-D209 PolarHBondContact O-N 2.67Å
192	I	97.6	Very high	97	Very high	53 Å²	53	56.4 Å²	56.4	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.5	169.7	-63.5	-59.6	0	0	0	109.4	I103 T181 Y194 F206 V207 Q208	I103-I192 HydrophobicContact CG2-CD1 3.97Å; T181-I192 HydrophobicContact CG2-CD1 3.98Å; T181-I192 HydrophobicContact CG2-CG1 3.83Å; I192-Y194 HydrophobicContact CG2-CD2 3.99Å; I192-Y194 HydrophobicContact CG2-CE2 3.59Å; I192-F206 HydrophobicContact CD1-CD2 4.28Å; I192-F206 HydrophobicContact CD1-CE2 4.45Å; I192-F206 HydrophobicContact CG2-CB 4.05Å; I192-F206 HydrophobicContact CG2-CD2 3.82Å; I192-F206 HydrophobicContact CG2-CG 4.2Å; I192-V207 WeakPolarHBondContact CA-O 3.43Å; I192-Q208 HydrophobicContact CD1-CB 4.21Å
193	I	97	Very high	96.8	Very high	58 Å²	58	65.5 Å²	65.5	30%	0.297	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.8	176.6	-56.1	179.9	0	0	0	109.1	K195 F206 V207 D209	I193-K195 HydrophobicContact CG2-CD 4.27Å; I193-F206 VanDerWaalsContact O-CA 3.23Å; I193-F206 WeakPolarHBondContact O-CA 3.49Å; I193-V207 HydrophobicContact CB-CG2 4.2Å; I193-V207 PolarHBondContact N-O 3.06Å; I193-V207 PolarHBondContact O-N 2.91Å; I193-D209 HydrophobicContact CD1-CB 3.58Å; I193-D209 HydrophobicContact CG1-CB 4.02Å
194	Y	96.7	Very high	96.6	Very high	162 Å²	162	65.6 Å²	65.6	64%	0.635	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.1	169.8	-71.8	-89.6	0	0	0	110.5	I192 F206	I192-Y194 HydrophobicContact CG2-CD2 3.99Å; I192-Y194 HydrophobicContact CG2-CE2 3.59Å; Y194-F206 HydrophobicContact CD1-CB 3.71Å; Y194-F206 HydrophobicContact CD1-CG 4.47Å; Y194-F206 HydrophobicContact CE1-CB 3.86Å; Y194-F206 HydrophobicContact CE1-CD1 4Å; Y194-F206 HydrophobicContact CE1-CG 4.14Å; Y194-F206 HydrophobicContact CG-CB 4.11Å
195	K	96	Very high	96.5	Very high	75 Å²	75	68.8 Å²	68.8	33%	0.326	37%	0.373	S	S	.	.			trans	-102.4	90.5	174.8	-58.7	-68.2	-173.8	177.7	0	108.9	I193 D197 Y201 Y205	I193-K195 HydrophobicContact CG2-CD 4.27Å; K195-D197 VanDerWaalsContact C-N 3.33Å; K195-D197 PolarHBondContact O-N 3.28Å; K195-Y201 HydrophobicContact CB-CD1 3.77Å; K195-Y201 HydrophobicContact CB-CD2 3.47Å; K195-Y201 VanDerWaalsContact CB-CD2 3.47Å; K195-Y201 HydrophobicContact CB-CE1 4.09Å; K195-Y201 HydrophobicContact CB-CE2 3.83Å; K195-Y201 HydrophobicContact CB-CG 3.43Å; K195-Y201 VanDerWaalsContact CB-CG 3.43Å; K195-Y201 HydrophobicContact CD-CE1 4.31Å; K195-Y201 HydrophobicContact CD-CE2 4.13Å; K195-Y201 HydrophobicContact CG-CD1 3.98Å; K195-Y201 HydrophobicContact CG-CD2 4.25Å; K195-Y201 HydrophobicContact CG-CE1 3.89Å; K195-Y201 HydrophobicContact CG-CE2 4.17Å; K195-Y201 HydrophobicContact CG-CG 4.16Å; K195-Y205 HydrophobicContact CB-CD1 3.92Å; K195-Y205 HydrophobicContact CG-CD1 3.85Å; K195-Y205 HydrophobicContact CG-CE1 4.21Å; K195-Y205 PolarHBondContact N-O 3.45Å
196	A	94.1	Very high	96.5	Very high	90 Å²	90	68.1 Å²	68.1	74%	0.744	37%	0.37	S	S	*	.			trans	-76.8	-14.7	-171.7	0	0	0	0	0	114.7	T198	A196-T198 PolarHBondContact O-N 3.35Å
197	D	96.1	Very high	96.5	Very high	72 Å²	72	70.1 Å²	70.1	39%	0.385	38%	0.382	S	S	.	.			trans	-72.9	96	179.1	-172.6	-11.3	0	0	0	111.1	K195 S199 M200 Y201	K195-D197 VanDerWaalsContact C-N 3.33Å; K195-D197 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact CG-OG 3.26Å; D197-S199 PolarHBondContact O-N 3.29Å; D197-S199 VanDerWaalsContact O-N 3.14Å; D197-S199 VanDerWaalsContact OD1-CB 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 2.89Å; D197-S199 PolarHBondContact OD1-OG 3.31Å; D197-S199 PolarHBondContact OD2-OG 3.43Å; D197-M200 HydrophobicContact CB-CE 3.93Å; D197-M200 PolarHBondContact O-N 3.28Å; D197-M200 WeakPolarHBondContact OD2-CE 3.44Å; D197-Y201 PolarHBondContact O-N 2.92Å
198	T	95.4	Very high	96.5	Very high	108 Å²	108	71.1 Å²	71.1	66%	0.663	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.4	-179.5	55.3	0	0	0	0	114.6	A196 M200 Y201	A196-T198 PolarHBondContact O-N 3.35Å; T198-M200 VanDerWaalsContact C-N 3.3Å; T198-Y201 VanDerWaalsContact CA-O 3.3Å; T198-Y201 WeakPolarHBondContact CA-O 3.26Å
199	S	96.8	Very high	96.4	Very high	100 Å²	100	74.3 Å²	74.3	70%	0.699	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.6	171.9	75.1	0	0	0	0	112.4	D197	D197-S199 VanDerWaalsContact CG-OG 3.26Å; D197-S199 PolarHBondContact O-N 3.29Å; D197-S199 VanDerWaalsContact O-N 3.14Å; D197-S199 VanDerWaalsContact OD1-CB 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 2.89Å; D197-S199 PolarHBondContact OD1-OG 3.31Å; D197-S199 PolarHBondContact OD2-OG 3.43Å
200	M	96.7	Very high	96.4	Very high	126 Å²	126	75.1 Å²	75.1	62%	0.621	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-29.4	-178.7	-68.2	-165.1	-79.8	0	0	113.3	D197 T198	D197-M200 HydrophobicContact CB-CE 3.93Å; D197-M200 PolarHBondContact O-N 3.28Å; D197-M200 WeakPolarHBondContact OD2-CE 3.44Å; T198-M200 VanDerWaalsContact C-N 3.3Å
201	Y	97.4	Very high	96.3	Very high	73 Å²	73	78.4 Å²	78.4	29%	0.286	42%	0.424	S	S	.	.	S	Bend	trans	-130.8	148.4	-171.6	-55.8	-86.5	0	0	0	111.8	K195 D197 T198 Y205	K195-Y201 HydrophobicContact CB-CD1 3.77Å; K195-Y201 HydrophobicContact CB-CD2 3.47Å; K195-Y201 VanDerWaalsContact CB-CD2 3.47Å; K195-Y201 HydrophobicContact CB-CE1 4.09Å; K195-Y201 HydrophobicContact CB-CE2 3.83Å; K195-Y201 HydrophobicContact CB-CG 3.43Å; K195-Y201 VanDerWaalsContact CB-CG 3.43Å; K195-Y201 HydrophobicContact CD-CE1 4.31Å; K195-Y201 HydrophobicContact CD-CE2 4.13Å; K195-Y201 HydrophobicContact CG-CD1 3.98Å; K195-Y201 HydrophobicContact CG-CD2 4.25Å; K195-Y201 HydrophobicContact CG-CE1 3.89Å; K195-Y201 HydrophobicContact CG-CE2 4.17Å; K195-Y201 HydrophobicContact CG-CG 4.16Å; D197-Y201 PolarHBondContact O-N 2.92Å; T198-Y201 VanDerWaalsContact CA-O 3.3Å; T198-Y201 WeakPolarHBondContact CA-O 3.26Å; Y201-Y205 AromaticContact CD1-CD1 3.71Å; Y201-Y205 HydrophobicContact CD1-CD1 3.71Å; Y201-Y205 AromaticContact CD1-CE1 3.86Å; Y201-Y205 HydrophobicContact CD1-CE1 3.86Å; Y201-Y205 HydrophobicContact CD1-CG 4.33Å; Y201-Y205 HydrophobicContact CE1-CD1 4.47Å; Y201-Y205 HydrophobicContact CE1-CE1 4.28Å; Y201-Y205 HydrophobicContact CG-CD1 4.29Å
202	P	95.6	Very high	96.3	Very high	86 Å²	86	77.9 Å²	77.9	56%	0.558	42%	0.418	S	S	*	.			trans	-65.2	155.2	175.2	25.9	-30.7	0	0	0	111.3	G204 Y205	P202-G204 PolarHBondContact O-N 2.91Å; P202-Y205 HydrophobicContact CG-CD2 3.72Å; P202-Y205 HydrophobicContact CG-CG 4.22Å; P202-Y205 WeakPolarHBondContact O-CB 3.35Å; P202-Y205 PolarHBondContact O-N 2.82Å
203	K	94.9	Very high	96.3	Very high	192 Å²	192	77.5 Å²	77.5	84%	0.835	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.6	178.8	-174.7	-175.7	176.9	-169	0	110.4	Y205	K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 PolarHBondContact O-N 2.91Å
204	G	92.1	Very high	96.4	Very high	56 Å²	56	75 Å²	75	58%	0.577	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	11.4	179.3	0	0	0	0	0	114.6	P202 F206	P202-G204 PolarHBondContact O-N 2.91Å; G204-F206 WeakPolarHBondContact O-CD1 3.32Å; G204-F206 PolarHBondContact O-N 3Å
205	Y	96.2	Very high	96.5	Very high	96 Å²	96	67.8 Å²	67.8	38%	0.376	38%	0.376	S	S	.	.			trans	-64.8	129.6	177	-169.8	-92.7	0	0	0	111.9	K195 Y201 P202 K203 V207	K195-Y205 HydrophobicContact CB-CD1 3.92Å; K195-Y205 HydrophobicContact CG-CD1 3.85Å; K195-Y205 HydrophobicContact CG-CE1 4.21Å; K195-Y205 PolarHBondContact N-O 3.45Å; Y201-Y205 AromaticContact CD1-CD1 3.71Å; Y201-Y205 HydrophobicContact CD1-CD1 3.71Å; Y201-Y205 AromaticContact CD1-CE1 3.86Å; Y201-Y205 HydrophobicContact CD1-CE1 3.86Å; Y201-Y205 HydrophobicContact CD1-CG 4.33Å; Y201-Y205 HydrophobicContact CE1-CD1 4.47Å; Y201-Y205 HydrophobicContact CE1-CE1 4.28Å; Y201-Y205 HydrophobicContact CG-CD1 4.29Å; P202-Y205 HydrophobicContact CG-CD2 3.72Å; P202-Y205 HydrophobicContact CG-CG 4.22Å; P202-Y205 WeakPolarHBondContact O-CB 3.35Å; P202-Y205 PolarHBondContact O-N 2.82Å; K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 PolarHBondContact O-N 2.91Å; Y205-V207 HydrophobicContact CE1-CG1 3.61Å
206	F	97.3	Very high	96.6	Very high	37 Å²	37	65.1 Å²	65.1	16%	0.162	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.7	173.3	69	-91.3	0	0	0	110.6	I103 I192 I193 Y194 G204	I103-F206 HydrophobicContact CB-CE2 3.9Å; I103-F206 HydrophobicContact CD1-CD2 4.28Å; I103-F206 HydrophobicContact CD1-CE2 3.96Å; I103-F206 HydrophobicContact CG2-CE2 3.98Å; I192-F206 HydrophobicContact CD1-CD2 4.28Å; I192-F206 HydrophobicContact CD1-CE2 4.45Å; I192-F206 HydrophobicContact CG2-CB 4.05Å; I192-F206 HydrophobicContact CG2-CD2 3.82Å; I192-F206 HydrophobicContact CG2-CG 4.2Å; I193-F206 VanDerWaalsContact O-CA 3.23Å; I193-F206 WeakPolarHBondContact O-CA 3.49Å; Y194-F206 HydrophobicContact CD1-CB 3.71Å; Y194-F206 HydrophobicContact CD1-CG 4.47Å; Y194-F206 HydrophobicContact CE1-CB 3.86Å; Y194-F206 HydrophobicContact CE1-CD1 4Å; Y194-F206 HydrophobicContact CE1-CG 4.14Å; Y194-F206 HydrophobicContact CG-CB 4.11Å; G204-F206 WeakPolarHBondContact O-CD1 3.32Å; G204-F206 PolarHBondContact O-N 3Å
207	V	97	Very high	96.8	Very high	46 Å²	46	60.9 Å²	60.9	28%	0.279	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.1	176.3	-64.1	0	0	0	0	110.5	I192 I193 Y205	I192-V207 WeakPolarHBondContact CA-O 3.43Å; I193-V207 HydrophobicContact CB-CG2 4.2Å; I193-V207 PolarHBondContact N-O 3.06Å; I193-V207 PolarHBondContact O-N 2.91Å; Y205-V207 HydrophobicContact CE1-CG1 3.61Å
208	Q	97.9	Very high	97	Very high	26 Å²	26	57.5 Å²	57.5	12%	0.121	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.5	166.8	179.1	72.2	66.9	0	0	108.5	I103 L182 S191 I192 I210	I103-Q208 HydrophobicContact CD1-CB 3.52Å; I103-Q208 HydrophobicContact CG1-CB 4.1Å; L182-Q208 PolarHBondContact O-NE2 2.9Å; L182-Q208 PolarHBondContact O-OE1 3.23Å; S191-Q208 VanDerWaalsContact N-NE2 3.1Å; S191-Q208 PolarHBondContact O-NE2 3.38Å; I192-Q208 HydrophobicContact CD1-CB 4.21Å; Q208-I210 HydrophobicContact CG-CG2 3.84Å
209	D	96.8	Very high	97.1	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.4	170.5	-166	45.9	0	0	0	109.7	G190 S191 I193	G190-D209 CarbonylContact C-O 3.51Å; G190-D209 VanDerWaalsContact CA-O 3.24Å; G190-D209 WeakPolarHBondContact CA-O 3.38Å; S191-D209 PolarHBondContact N-O 2.81Å; S191-D209 WeakPolarHBondContact O-CB 3.42Å; S191-D209 PolarHBondContact O-N 2.67Å; I193-D209 HydrophobicContact CD1-CB 3.58Å; I193-D209 HydrophobicContact CG1-CB 4.02Å
210	I	96.9	Very high	97.2	Very high	22 Å²	22	47.6 Å²	47.6	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.2	-176.2	60.3	166.7	0	0	0	110.4	L182 Q208 F212 N598	L182-I210 HydrophobicContact CD1-CG2 4.05Å; Q208-I210 HydrophobicContact CG-CG2 3.84Å; I210-F212 HydrophobicContact CB-CD1 3.97Å; I210-F212 HydrophobicContact CB-CE1 3.56Å; I210-F212 HydrophobicContact CB-CZ 3.88Å; I210-F212 HydrophobicContact CD1-CD2 3.95Å; I210-F212 HydrophobicContact CD1-CE1 4.13Å; I210-F212 HydrophobicContact CD1-CE2 3.5Å; I210-F212 HydrophobicContact CD1-CG 4.44Å; I210-F212 HydrophobicContact CD1-CZ 3.61Å; I210-F212 HydrophobicContact CG1-CE1 4.45Å; I210-F212 HydrophobicContact CG1-CZ 4.37Å; I210-F212 HydrophobicContact CG2-CD1 4.47Å; I210-F212 HydrophobicContact CG2-CE1 3.59Å; I210-F212 HydrophobicContact CG2-CZ 3.71Å; I210-N598 WeakPolarHBondContact CD1-ND2 3.4Å; I210-N598 WeakPolarHBondContact CG1-ND2 3.49Å
211	N	97.2	Very high	97.3	Very high	73 Å²	73	41.7 Å²	41.7	39%	0.39	22%	0.217	S	C	.	.			trans	-122.3	32.9	-178.2	-66.9	-75.4	0	0	0	112.6	G414 V416	N211-G414 VanDerWaalsContact O-CA 3.24Å; N211-G414 WeakPolarHBondContact O-CA 3.27Å; N211-V416 HydrophobicContact CB-CB 4.44Å; N211-V416 HydrophobicContact CB-CG1 4.02Å; N211-V416 HydrophobicContact CB-CG2 3.52Å; N211-V416 WeakPolarHBondContact ND2-CG2 3.32Å
212	F	97.6	Very high	97.3	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.075	20%	0.204	C	C	.	.	S	Bend	trans	-128.4	149	176.3	55	-97.4	0	0	0	111	L182 P188 I210 F214 N216 V413	L182-F212 HydrophobicContact CD1-CE1 3.65Å; L182-F212 HydrophobicContact CD1-CZ 3.55Å; P188-F212 HydrophobicContact CB-CD1 3.58Å; P188-F212 HydrophobicContact CB-CE1 3.56Å; P188-F212 HydrophobicContact CB-CG 4.39Å; P188-F212 HydrophobicContact CB-CZ 4.34Å; P188-F212 HydrophobicContact CG-CD1 3.92Å; P188-F212 HydrophobicContact CG-CE1 3.46Å; P188-F212 VanDerWaalsContact CG-CE1 3.46Å; P188-F212 HydrophobicContact CG-CE2 4.45Å; P188-F212 HydrophobicContact CG-CZ 3.76Å; I210-F212 HydrophobicContact CB-CD1 3.97Å; I210-F212 HydrophobicContact CB-CE1 3.56Å; I210-F212 HydrophobicContact CB-CZ 3.88Å; I210-F212 HydrophobicContact CD1-CD2 3.95Å; I210-F212 HydrophobicContact CD1-CE1 4.13Å; I210-F212 HydrophobicContact CD1-CE2 3.5Å; I210-F212 HydrophobicContact CD1-CG 4.44Å; I210-F212 HydrophobicContact CD1-CZ 3.61Å; I210-F212 HydrophobicContact CG1-CE1 4.45Å; I210-F212 HydrophobicContact CG1-CZ 4.37Å; I210-F212 HydrophobicContact CG2-CD1 4.47Å; I210-F212 HydrophobicContact CG2-CE1 3.59Å; I210-F212 HydrophobicContact CG2-CZ 3.71Å; F212-F214 HydrophobicContact CB-CD1 4.38Å; F212-F214 HydrophobicContact CB-CE1 3.91Å; F212-F214 HydrophobicContact CB-CZ 4.43Å; F212-F214 AromaticContact CD2-CD1 3.78Å; F212-F214 HydrophobicContact CD2-CD1 3.78Å; F212-F214 AromaticContact CD2-CD2 3.84Å; F212-F214 HydrophobicContact CD2-CD2 3.84Å; F212-F214 AromaticContact CD2-CE1 3.5Å; F212-F214 HydrophobicContact CD2-CE1 3.5Å; F212-F214 VanDerWaalsContact CD2-CE1 3.5Å; F212-F214 AromaticContact CD2-CE2 3.58Å; F212-F214 HydrophobicContact CD2-CE2 3.58Å; F212-F214 AromaticContact CD2-CG 3.95Å; F212-F214 HydrophobicContact CD2-CG 3.95Å; F212-F214 AromaticContact CD2-CZ 3.4Å; F212-F214 HydrophobicContact CD2-CZ 3.4Å; F212-F214 VanDerWaalsContact CD2-CZ 3.4Å; F212-F214 WeakPolarHBondContact CD2-O 3.09Å; F212-F214 AromaticContact CE2-CD2 3.87Å; F212-F214 HydrophobicContact CE2-CD2 3.87Å; F212-F214 HydrophobicContact CE2-CE1 4.29Å; F212-F214 AromaticContact CE2-CE2 3.51Å; F212-F214 HydrophobicContact CE2-CE2 3.51Å; F212-F214 HydrophobicContact CE2-CG 4.41Å; F212-F214 AromaticContact CE2-CZ 3.75Å; F212-F214 HydrophobicContact CE2-CZ 3.75Å; F212-F214 WeakPolarHBondContact CE2-O 3.34Å; F212-F214 HydrophobicContact CG-CD1 4.49Å; F212-F214 AromaticContact CG-CE1 3.95Å; F212-F214 HydrophobicContact CG-CE1 3.95Å; F212-F214 HydrophobicContact CG-CZ 4Å; F212-F214 HydrophobicContact CZ-CE2 4.46Å; F212-F214 PolarHBondContact O-N 3.41Å; F212-N216 HydrophobicContact CE2-CB 4.44Å; F212-N216 HydrophobicContact CZ-CB 4.33Å; F212-V413 HydrophobicContact CB-CG1 4.09Å; F212-V413 HydrophobicContact CB-CG2 3.96Å
213	D	97.7	Very high	97.5	Very high	45 Å²	45	34.8 Å²	34.8	24%	0.241	18%	0.182	C	C	.	.	S	Bend	trans	-96.7	47.2	-168	-169.6	36.6	0	0	0	113.3	F595 T597 R603 N607	D213-F595 WeakPolarHBondContact O-CE2 3.08Å; D213-F595 WeakPolarHBondContact O-CZ 3.2Å; D213-T597 WeakPolarHBondContact O-CG2 3.5Å; D213-T597 WeakPolarHBondContact OD1-CG2 3.35Å; D213-R603 IonicContact OD1-CZ 3.68Å; D213-R603 IonicContact OD1-NE 2.66Å; D213-R603 PolarHBondContact OD1-NE 3.02Å; D213-R603 IonicContact OD1-NH2 3.24Å; D213-R603 PolarHBondContact OD1-NH2 3.09Å; D213-R603 VanDerWaalsContact OD1-NH2 3.12Å; D213-R603 IonicContact OD2-CZ 3.53Å; D213-R603 IonicContact OD2-NE 3.91Å; D213-R603 PolarHBondContact OD2-NE 3.41Å; D213-R603 IonicContact OD2-NH2 3.6Å; D213-R603 PolarHBondContact OD2-NH2 3.43Å; D213-N607 PolarHBondContact OD2-ND2 2.97Å
214	F	98.5	Very high	97.6	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.026	14%	0.142	C	C	.	.	S	Bend	trans	-146.8	155.9	169.1	57.6	-91.2	0	0	0	110	F212 N216 H354 H388 Y389 V413 F595 M596	F212-F214 HydrophobicContact CB-CD1 4.38Å; F212-F214 HydrophobicContact CB-CE1 3.91Å; F212-F214 HydrophobicContact CB-CZ 4.43Å; F212-F214 AromaticContact CD2-CD1 3.78Å; F212-F214 HydrophobicContact CD2-CD1 3.78Å; F212-F214 AromaticContact CD2-CD2 3.84Å; F212-F214 HydrophobicContact CD2-CD2 3.84Å; F212-F214 AromaticContact CD2-CE1 3.5Å; F212-F214 HydrophobicContact CD2-CE1 3.5Å; F212-F214 VanDerWaalsContact CD2-CE1 3.5Å; F212-F214 AromaticContact CD2-CE2 3.58Å; F212-F214 HydrophobicContact CD2-CE2 3.58Å; F212-F214 AromaticContact CD2-CG 3.95Å; F212-F214 HydrophobicContact CD2-CG 3.95Å; F212-F214 AromaticContact CD2-CZ 3.4Å; F212-F214 HydrophobicContact CD2-CZ 3.4Å; F212-F214 VanDerWaalsContact CD2-CZ 3.4Å; F212-F214 WeakPolarHBondContact CD2-O 3.09Å; F212-F214 AromaticContact CE2-CD2 3.87Å; F212-F214 HydrophobicContact CE2-CD2 3.87Å; F212-F214 HydrophobicContact CE2-CE1 4.29Å; F212-F214 AromaticContact CE2-CE2 3.51Å; F212-F214 HydrophobicContact CE2-CE2 3.51Å; F212-F214 HydrophobicContact CE2-CG 4.41Å; F212-F214 AromaticContact CE2-CZ 3.75Å; F212-F214 HydrophobicContact CE2-CZ 3.75Å; F212-F214 WeakPolarHBondContact CE2-O 3.34Å; F212-F214 HydrophobicContact CG-CD1 4.49Å; F212-F214 AromaticContact CG-CE1 3.95Å; F212-F214 HydrophobicContact CG-CE1 3.95Å; F212-F214 HydrophobicContact CG-CZ 4Å; F212-F214 HydrophobicContact CZ-CE2 4.46Å; F212-F214 PolarHBondContact O-N 3.41Å; F214-N216 PolarHBondContact O-N 2.67Å; F214-H354 AromaticContact CD1-CE1 3.75Å; F214-H354 AromaticContact CG-CE1 3.97Å; F214-H388 AromaticContact CD1-CD2 3.96Å; F214-H388 HydrophobicContact CE1-CB 4.06Å; F214-H388 AromaticContact CE1-CD2 3.92Å; F214-Y389 HydrophobicContact CD2-CE1 4.21Å; F214-Y389 HydrophobicContact CE1-CE1 4.46Å; F214-Y389 HydrophobicContact CE2-CD1 4.27Å; F214-Y389 AromaticContact CE2-CE1 3.9Å; F214-Y389 HydrophobicContact CE2-CE1 3.9Å; F214-Y389 HydrophobicContact CZ-CD1 4.08Å; F214-Y389 HydrophobicContact CZ-CE1 4.03Å; F214-V413 HydrophobicContact CE1-CG1 3.78Å; F214-V413 HydrophobicContact CZ-CG1 3.97Å; F214-F595 HydrophobicContact CB-CD2 4.26Å; F214-F595 HydrophobicContact CB-CE2 3.86Å; F214-M596 WeakPolarHBondContact CA-O 3.29Å
215	F	98.6	Very high	98	Very high	10 Å²	10	23.6 Å²	23.6	4%	0.044	12%	0.118	C	C	.	.			trans	-69.5	134.6	-178.1	-171.4	-103	0	0	0	110.8	N91 R100 Y217 K362 M596 N598	N91-F215 HydrophobicContact CB-CE1 3.81Å; N91-F215 HydrophobicContact CB-CZ 4.5Å; R100-F215 HydrophobicContact CG-CZ 4.34Å; R100-F215 VanDerWaalsContact NH1-CE2 3.3Å; F215-Y217 HydrophobicContact CB-CD2 4.03Å; F215-Y217 HydrophobicContact CB-CE2 3.9Å; F215-Y217 AromaticContact CD1-CD1 3.55Å; F215-Y217 HydrophobicContact CD1-CD1 3.55Å; F215-Y217 AromaticContact CD1-CD2 3.69Å; F215-Y217 HydrophobicContact CD1-CD2 3.69Å; F215-Y217 AromaticContact CD1-CE1 3.62Å; F215-Y217 HydrophobicContact CD1-CE1 3.62Å; F215-Y217 AromaticContact CD1-CE2 3.77Å; F215-Y217 HydrophobicContact CD1-CE2 3.77Å; F215-Y217 AromaticContact CD1-CG 3.57Å; F215-Y217 HydrophobicContact CD1-CG 3.57Å; F215-Y217 AromaticContact CD1-CZ 3.72Å; F215-Y217 AromaticContact CE1-CD1 3.83Å; F215-Y217 HydrophobicContact CE1-CD1 3.83Å; F215-Y217 AromaticContact CE1-CE1 3.94Å; F215-Y217 HydrophobicContact CE1-CE1 3.94Å; F215-Y217 HydrophobicContact CE1-CG 4.23Å; F215-Y217 HydrophobicContact CG-CD2 4.36Å; F215-Y217 HydrophobicContact CG-CE2 4.27Å; F215-Y217 PolarHBondContact O-N 2.94Å; F215-K362 PolarHBondContact O-NZ 2.95Å; F215-M596 HydrophobicContact CB-CB 4.16Å; F215-M596 HydrophobicContact CB-CG 3.89Å; F215-M596 HydrophobicContact CG-CG 4.27Å; F215-M596 PolarHBondContact N-O 2.92Å; F215-N598 VanDerWaalsContact CD2-OD1 3.25Å; F215-N598 WeakPolarHBondContact CD2-OD1 3.41Å
216	N	98.4	Very high	98.1	Very high	19 Å²	19	19 Å²	19	10%	0.102	10%	0.1	C	C	.	.			trans	-74.3	59	176.2	-169.8	39.6	0	0	0	111.1	H134 N180 F212 F214	H134-N216 PolarHBondContact NE2-OD1 3.17Å; N180-N216 PolarHBondContact O-ND2 3.36Å; F212-N216 HydrophobicContact CE2-CB 4.44Å; F212-N216 HydrophobicContact CZ-CB 4.33Å; F214-N216 PolarHBondContact O-N 2.67Å
217	Y	98.8	Very high	98.1	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.096	C	C	.	.			trans	-54.8	142.8	170.8	-80.8	-64.9	0	0	0	110.2	S89 N91 D92 H134 F215 H221 K362 M596 R614	S89-Y217 WeakPolarHBondContact OG-CB 3.36Å; N91-Y217 HydrophobicContact CB-CD1 3.79Å; N91-Y217 HydrophobicContact CB-CE1 3.97Å; N91-Y217 WeakPolarHBondContact OD1-CA 3.4Å; N91-Y217 WeakPolarHBondContact OD1-CD1 3.01Å; D92-Y217 VanDerWaalsContact OD2-CE1 3.26Å; D92-Y217 WeakPolarHBondContact OD2-CE1 3.42Å; D92-Y217 VanDerWaalsContact OD2-CZ 3.31Å; D92-Y217 PolarHBondContact OD2-OH 2.68Å; H134-Y217 PolarHBondContact CD2-O 3.15Å; F215-Y217 HydrophobicContact CB-CD2 4.03Å; F215-Y217 HydrophobicContact CB-CE2 3.9Å; F215-Y217 AromaticContact CD1-CD1 3.55Å; F215-Y217 HydrophobicContact CD1-CD1 3.55Å; F215-Y217 AromaticContact CD1-CD2 3.69Å; F215-Y217 HydrophobicContact CD1-CD2 3.69Å; F215-Y217 AromaticContact CD1-CE1 3.62Å; F215-Y217 HydrophobicContact CD1-CE1 3.62Å; F215-Y217 AromaticContact CD1-CE2 3.77Å; F215-Y217 HydrophobicContact CD1-CE2 3.77Å; F215-Y217 AromaticContact CD1-CG 3.57Å; F215-Y217 HydrophobicContact CD1-CG 3.57Å; F215-Y217 AromaticContact CD1-CZ 3.72Å; F215-Y217 AromaticContact CE1-CD1 3.83Å; F215-Y217 HydrophobicContact CE1-CD1 3.83Å; F215-Y217 AromaticContact CE1-CE1 3.94Å; F215-Y217 HydrophobicContact CE1-CE1 3.94Å; F215-Y217 HydrophobicContact CE1-CG 4.23Å; F215-Y217 HydrophobicContact CG-CD2 4.36Å; F215-Y217 HydrophobicContact CG-CE2 4.27Å; F215-Y217 PolarHBondContact O-N 2.94Å; Y217-H221 PolarHBondContact O-NE2 2.86Å; Y217-K362 HydrophobicContact CD2-CG 4.17Å; Y217-K362 HydrophobicContact CG-CG 4.4Å; Y217-M596 HydrophobicContact CE2-CB 3.95Å; Y217-M596 HydrophobicContact CE2-CG 4.42Å; Y217-R614 PolarHBondContact OH-NH2 3.38Å; Y217-R614 VanDerWaalsContact OH-NH2 3.13Å
218	A	98.7	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.			trans	-137.5	160.3	-179.1	0	0	0	0	0	111.7	S89 F90 N91 N180	S89-A218 VanDerWaalsContact CA-O 3.28Å; S89-A218 WeakPolarHBondContact CA-O 3.41Å; F90-A218 HydrophobicContact CD1-CB 4.34Å; F90-A218 WeakPolarHBondContact CD1-O 3.37Å; F90-A218 HydrophobicContact CE1-CB 3.46Å; F90-A218 VanDerWaalsContact CE1-CB 3.46Å; F90-A218 WeakPolarHBondContact CE1-O 3.45Å; F90-A218 HydrophobicContact CZ-CB 3.84Å; F90-A218 PolarHBondContact N-O 2.8Å; N91-A218 PolarHBondContact OD1-N 2.91Å; N91-A218 PolarHBondContact OD1-O 2.76Å; N180-A218 HydrophobicContact CB-CB 3.43Å; N180-A218 VanDerWaalsContact CB-CB 3.43Å
219	G	98.5	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.3	-162.3	-177	0	0	0	0	0	113.1	H134 H221	H134-G219 PolarHBondContact N-O 3.16Å; H134-G219 VanDerWaalsContact N-O 3.17Å; G219-H221 PolarHBondContact O-N 2.97Å
220	L	98.8	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	88.9	175.9	-66.1	170.1	0	0	0	108.6	V86 P87 S88 Y108 I130 A133 I176 I178 R222 V224	V86-L220 HydrophobicContact CG1-CB 3.81Å; V86-L220 HydrophobicContact CG1-CD1 4.28Å; V86-L220 HydrophobicContact CG2-CB 4.01Å; V86-L220 HydrophobicContact CG2-CD1 3.8Å; P87-L220 WeakPolarHBondContact CA-O 3.37Å; S88-L220 PolarHBondContact N-O 2.86Å; S88-L220 CarbonylContact O-C 3.58Å; S88-L220 VanDerWaalsContact O-O 3.08Å; Y108-L220 HydrophobicContact CD1-CD1 3.88Å; Y108-L220 HydrophobicContact CD2-CD1 4.27Å; Y108-L220 HydrophobicContact CD2-CG 4.47Å; Y108-L220 HydrophobicContact CE1-CD1 4.39Å; Y108-L220 HydrophobicContact CG-CD1 3.82Å; Y108-L220 HydrophobicContact CG-CG 4.47Å; I130-L220 HydrophobicContact CG2-CD2 4.03Å; A133-L220 HydrophobicContact CB-CD2 3.87Å; I176-L220 HydrophobicContact CD1-CD1 4.14Å; I176-L220 HydrophobicContact CD1-CD2 4.23Å; I176-L220 HydrophobicContact CG2-CD2 4.47Å; I178-L220 HydrophobicContact CD1-CD2 3.63Å; I178-L220 HydrophobicContact CD1-CG 3.72Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 3.32Å; L220-V224 HydrophobicContact CD1-CG2 4.15Å; L220-V224 HydrophobicContact CD2-CG2 4.25Å
221	H	98	Very high	98.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	8%	0.076	C	C	.	.			trans	-75	-22.4	-171.3	-60.5	-33.1	0	0	0	114	P87 S89 Y217 G219 K362 G363 F364	P87-H221 VanDerWaalsContact CB-O 3.23Å; P87-H221 WeakPolarHBondContact CB-O 3.47Å; S89-H221 PolarHBondContact OG-CE1 2.91Å; S89-H221 PolarHBondContact OG-ND1 2.87Å; Y217-H221 PolarHBondContact O-NE2 2.86Å; G219-H221 PolarHBondContact O-N 2.97Å; H221-K362 HydrophobicContact CB-CB 4.27Å; H221-G363 WeakPolarHBondContact O-CA 3.49Å; H221-F364 PolarHBondContact O-N 2.89Å
222	R	98.5	Very high	98.1	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	6%	0.06	C	C	.	.	S	Bend	trans	-127.4	168.5	-178.6	-61.1	178.8	-171	151.1	11.6	109.9	N131 H153 L220 E355 P390 Y391 S392 E393 R439	N131-R222 HydrophobicContact CB-CB 3.53Å; H153-R222 PolarHBondContact O-NH1 2.89Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 3.32Å; R222-E355 IonicContact CZ-OE2 3.24Å; R222-E355 IonicContact NE-OE1 2.7Å; R222-E355 IonicContact NH2-OE1 2.77Å; R222-E355 IonicContact NH2-OE2 2.76Å; R222-E355 PolarHBondContact NH2-OE2 2.82Å; R222-P390 PolarHBondContact NH2-O 3.49Å; R222-Y391 PolarHBondContact NH1-O 3.49Å; R222-Y391 VanDerWaalsContact NH2-CA 3.35Å; R222-Y391 PolarHBondContact NH2-O 2.83Å; R222-S392 VanDerWaalsContact NH2-N 3.19Å; R222-E393 IonicContact NH1-OE2 3.8Å; R222-R439 VanDerWaalsContact NH1-NH1 3.12Å
223	S	98.4	Very high	98.1	Very high	14 Å²	14	11.6 Å²	11.6	10%	0.098	6%	0.063	C	C	.	.			trans	-57.6	145	-175.3	-60.9	0	0	0	0	112.4	D49 N131	D49-S223 WeakPolarHBondContact OD1-CA 3.21Å; D49-S223 WeakPolarHBondContact OD1-CB 3.45Å; D49-S223 PolarHBondContact OD1-OG 3.26Å; D49-S223 WeakPolarHBondContact OD2-CB 3.18Å; D49-S223 PolarHBondContact OD2-OG 2.99Å; N131-S223 VanDerWaalsContact CB-O 3.26Å; N131-S223 WeakPolarHBondContact CB-O 3.48Å; N131-S223 PolarHBondContact N-O 2.76Å; N131-S223 VanDerWaalsContact N-O 3.17Å
224	V	98.8	Very high	98.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.9	165.8	178.6	0	0	0	0	106.3	L48 D49 W52 V86 L128 I130 I176 L220	L48-V224 WeakPolarHBondContact CA-O 3.43Å; L48-V224 HydrophobicContact CB-CB 4.29Å; L48-V224 HydrophobicContact CB-CG1 4.28Å; L48-V224 WeakPolarHBondContact CB-O 3.37Å; L48-V224 HydrophobicContact CD1-CG1 4.21Å; L48-V224 PolarHBondContact N-O 2.78Å; D49-V224 PolarHBondContact OD1-N 3.19Å; W52-V224 HydrophobicContact CH2-CG1 4.18Å; W52-V224 HydrophobicContact CZ2-CB 4.07Å; W52-V224 HydrophobicContact CZ2-CG1 4.08Å; W52-V224 HydrophobicContact CZ2-CG2 4.3Å; V86-V224 HydrophobicContact CG1-CG2 4.2Å; L128-V224 HydrophobicContact CD1-CG1 3.84Å; I130-V224 HydrophobicContact CG1-CG1 4.31Å; I130-V224 HydrophobicContact CG1-CG2 4.39Å; I130-V224 HydrophobicContact CG2-CG2 4.47Å; I176-V224 HydrophobicContact CD1-CG2 4.49Å; L220-V224 HydrophobicContact CD1-CG2 4.15Å; L220-V224 HydrophobicContact CD2-CG2 4.25Å
225	V	98.6	Very high	98.1	Very high	12 Å²	12	10 Å²	10	7%	0.073	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.7	-175.3	-55.1	0	0	0	0	110.9	P37 V45 R129	P37-V225 HydrophobicContact CG-CG2 4.17Å; V45-V225 HydrophobicContact CG1-CB 4.24Å; V45-V225 HydrophobicContact CG1-CG1 4.44Å; R129-V225 HydrophobicContact CB-CG2 3.84Å; R129-V225 HydrophobicContact CG-CG2 4.41Å; R129-V225 PolarHBondContact N-O 2.93Å; R129-V225 PolarHBondContact O-N 2.93Å
226	L	98.6	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.1	157.2	-68.2	163.2	0	0	0	108	K46 L48 A112 L114 W118 V127 L128 I160	K46-L226 PolarHBondContact N-O 3.48Å; K46-L226 PolarHBondContact O-N 3.49Å; L48-L226 HydrophobicContact CD1-CD1 4.02Å; L48-L226 HydrophobicContact CD1-CG 3.92Å; L48-L226 HydrophobicContact CD2-CD1 4.09Å; L48-L226 HydrophobicContact CG-CD1 4.36Å; L48-L226 HydrophobicContact CG-CG 4.32Å; A112-L226 HydrophobicContact CB-CD1 4.37Å; L114-L226 HydrophobicContact CD2-CD1 3.45Å; L114-L226 VanDerWaalsContact CD2-CD1 3.45Å; W118-L226 HydrophobicContact CH2-CB 4.17Å; W118-L226 HydrophobicContact CZ3-CB 3.63Å; W118-L226 HydrophobicContact CZ3-CD1 4.35Å; V127-L226 CarbonylContact O-C 3.56Å; V127-L226 VanDerWaalsContact O-CA 3.24Å; V127-L226 WeakPolarHBondContact O-CA 3.33Å; L128-L226 HydrophobicContact CB-CD2 3.93Å; L128-L226 HydrophobicContact CD1-CD2 3.9Å; L128-L226 HydrophobicContact CD1-CG 4.33Å; I160-L226 HydrophobicContact CD1-CD2 3.63Å
227	Y	98.7	Very high	98.1	Very high	17 Å²	17	10 Å²	10	7%	0.067	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	162	172.1	76.4	-92.8	0	0	0	111.4	P37 E44 V127 R129 E157 T229	P37-Y227 HydrophobicContact CB-CD1 4.1Å; P37-Y227 HydrophobicContact CB-CG 4.07Å; P37-Y227 HydrophobicContact CG-CD1 3.76Å; P37-Y227 HydrophobicContact CG-CE1 4.06Å; P37-Y227 HydrophobicContact CG-CG 4.24Å; E44-Y227 CarbonylContact O-C 3.5Å; E44-Y227 WeakPolarHBondContact O-CA 3.3Å; E44-Y227 WeakPolarHBondContact O-CB 3.37Å; V127-Y227 HydrophobicContact CB-CD1 3.83Å; V127-Y227 HydrophobicContact CB-CD2 4.32Å; V127-Y227 HydrophobicContact CB-CE1 3.47Å; V127-Y227 VanDerWaalsContact CB-CE1 3.47Å; V127-Y227 HydrophobicContact CB-CE2 3.98Å; V127-Y227 HydrophobicContact CB-CG 4.25Å; V127-Y227 HydrophobicContact CG1-CD1 4.15Å; V127-Y227 HydrophobicContact CG1-CE1 3.38Å; V127-Y227 HydrophobicContact CG1-CE2 4.48Å; V127-Y227 HydrophobicContact CG2-CD2 4.34Å; V127-Y227 HydrophobicContact CG2-CE1 4.14Å; V127-Y227 HydrophobicContact CG2-CE2 3.77Å; V127-Y227 PolarHBondContact N-O 3.04Å; V127-Y227 PolarHBondContact O-N 3.12Å; R129-Y227 HydrophobicContact CB-CD1 4.23Å; R129-Y227 HydrophobicContact CB-CE1 4.08Å; E157-Y227 PolarHBondContact OE1-OH 2.95Å; E157-Y227 WeakPolarHBondContact OE2-CE1 3.23Å; E157-Y227 PolarHBondContact OE2-OH 2.92Å; Y227-T229 HydrophobicContact CD2-CG2 4.08Å; Y227-T229 HydrophobicContact CE2-CG2 3.75Å
228	T	98.4	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.3	177.5	64.3	0	0	0	0	112.5	R43 E44 W118 M124 R125 V126	R43-T228 WeakPolarHBondContact CA-O 3.49Å; R43-T228 WeakPolarHBondContact CB-O 3.44Å; E44-T228 WeakPolarHBondContact CB-OG1 3.37Å; E44-T228 PolarHBondContact N-OG1 3.24Å; E44-T228 VanDerWaalsContact N-OG1 3.16Å; E44-T228 PolarHBondContact O-N 3.38Å; W118-T228 HydrophobicContact CD2-CG2 3.49Å; W118-T228 VanDerWaalsContact CD2-CG2 3.49Å; W118-T228 HydrophobicContact CE3-CG2 3.94Å; W118-T228 HydrophobicContact CG-CG2 3.87Å; W118-T228 HydrophobicContact CH2-CG2 4.08Å; W118-T228 HydrophobicContact CZ2-CG2 3.68Å; W118-T228 HydrophobicContact CZ3-CG2 4.22Å; M124-T228 HydrophobicContact CG-CG2 3.99Å; M124-T228 HydrophobicContact SD-CG2 3.7Å; R125-T228 WeakPolarHBondContact O-CA 3.45Å; R125-T228 WeakPolarHBondContact O-CB 3.34Å; V126-T228 HydrophobicContact CG2-CG2 4.25Å
229	T	98.3	Very high	98.1	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.012	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	169.4	166.1	66.6	0	0	0	0	108	R43 R125 Y227	R43-T229 HydrophobicContact CG-CG2 4.25Å; R125-T229 PolarHBondContact N-O 2.82Å; R125-T229 PolarHBondContact O-N 2.87Å; R125-T229 VanDerWaalsContact O-N 3.08Å; Y227-T229 HydrophobicContact CD2-CG2 4.08Å; Y227-T229 HydrophobicContact CE2-CG2 3.75Å
230	P	96.8	Very high	98.1	Very high	15 Å²	15	14.1 Å²	14.1	10%	0.097	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	165.9	159.1	-13.2	28.7	0	0	0	111.2	T232 V319 D321	P230-T232 VanDerWaalsContact C-N 3.27Å; P230-T232 PolarHBondContact O-N 2.87Å; P230-V319 HydrophobicContact CB-CG1 3.31Å; P230-V319 HydrophobicContact CG-CG1 4Å; P230-D321 HydrophobicContact CG-CB 4.1Å
231	T	95.3	Very high	98.1	Very high	58 Å²	58	15.1 Å²	15.1	36%	0.356	9%	0.086	S	C	.	.	S	Bend	trans	-67.1	-25.3	178	49.5	0	0	0	0	114	D123	D123-T231 PolarHBondContact O-N 2.76Å; D123-T231 VanDerWaalsContact O-N 3.09Å
232	T	96.1	Very high	98.1	Very high	10 Å²	10	18.7 Å²	18.7	6%	0.061	11%	0.105	C	C	.	.	S	Bend	trans	-103.7	123.3	162.3	-54.8	0	0	0	0	108	P230 V256 K257 N259 M313 T315	P230-T232 VanDerWaalsContact C-N 3.27Å; P230-T232 PolarHBondContact O-N 2.87Å; T232-V256 HydrophobicContact CG2-CG1 3.72Å; T232-K257 CarbonylContact C-O 3.52Å; T232-K257 VanDerWaalsContact CA-O 3.22Å; T232-K257 WeakPolarHBondContact CA-O 3.29Å; T232-K257 WeakPolarHBondContact CG2-O 3.33Å; T232-N259 HydrophobicContact CG2-CB 4.03Å; T232-N259 VanDerWaalsContact OG1-CB 3.29Å; T232-N259 WeakPolarHBondContact OG1-CB 3.35Å; T232-N259 PolarHBondContact OG1-N 3.4Å; T232-M313 HydrophobicContact CG2-CE 3.65Å; T232-M313 HydrophobicContact CG2-SD 3.95Å; T232-M313 WeakPolarHBondContact O-CE 3.28Å; T232-T315 HydrophobicContact CG2-CG2 4.01Å
233	Y	97.3	Very high	98.1	Very high	32 Å²	32	20.5 Å²	20.5	13%	0.125	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.2	-168.3	62.4	-87.9	0	0	0	112.8	R125 D235 V256 K257 D321	R125-Y233 VanDerWaalsContact CD-CE1 3.49Å; Y233-D235 HydrophobicContact CD2-CB 4.21Å; Y233-D235 HydrophobicContact CE2-CB 3.83Å; Y233-D235 PolarHBondContact O-N 2.77Å; Y233-V256 WeakPolarHBondContact O-CA 3.45Å; Y233-V256 WeakPolarHBondContact O-CG1 3.31Å; Y233-K257 HydrophobicContact CD1-CB 4.45Å; Y233-K257 HydrophobicContact CE1-CB 3.83Å; Y233-K257 HydrophobicContact CE2-CB 4.02Å; Y233-K257 HydrophobicContact CE2-CG 4.37Å; Y233-K257 PolarHBondContact N-O 3.14Å; Y233-K257 PolarHBondContact O-N 2.93Å; Y233-D321 WeakPolarHBondContact CA-OD2 3.45Å
234	I	98.4	Very high	98	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.4	169.8	-61.2	159.8	0	0	0	108.1	L35 R43 I237 I254 L264 A311 M313 D321	L35-I234 HydrophobicContact CD1-CG2 4.18Å; R43-I234 PolarHBondContact NH2-O 3.28Å; I234-I237 HydrophobicContact CG2-CD1 4.03Å; I234-I237 HydrophobicContact CG2-CG1 3.75Å; I234-I254 HydrophobicContact CG1-CG2 4.31Å; I234-I254 HydrophobicContact CG2-CG2 3.74Å; I234-L264 HydrophobicContact CG1-CD2 4.45Å; I234-A311 HydrophobicContact CD1-CB 3.79Å; I234-M313 HydrophobicContact CD1-CB 4.17Å; I234-M313 HydrophobicContact CG1-CB 4.05Å; I234-D321 PolarHBondContact N-OD2 2.83Å
235	D	98.3	Very high	97.6	Very high	16 Å²	16	33.4 Å²	33.4	9%	0.086	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-43.3	-173.6	178.8	62.1	0	0	0	111.5	G33 Y233 S255 K257	G33-D235 WeakPolarHBondContact CA-O 3.29Å; G33-D235 PolarHBondContact N-OD1 2.81Å; G33-D235 PolarHBondContact N-OD2 2.94Å; Y233-D235 HydrophobicContact CD2-CB 4.21Å; Y233-D235 HydrophobicContact CE2-CB 3.83Å; Y233-D235 PolarHBondContact O-N 2.77Å; D235-S255 PolarHBondContact N-O 3.36Å; D235-K257 HydrophobicContact CB-CB 4.35Å; D235-K257 HydrophobicContact CB-CG 3.62Å
236	D	98.6	Very high	97.3	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.1	-178.7	-165.4	18.9	0	0	0	111	I254 S255 K441	D236-I254 CarbonylContact O-C 3.56Å; D236-I254 WeakPolarHBondContact O-CA 3.49Å; D236-S255 PolarHBondContact N-O 3.32Å; D236-S255 PolarHBondContact O-N 2.95Å; D236-K441 WeakPolarHBondContact OD1-CE 3.4Å; D236-K441 IonicContact OD1-NZ 3.67Å; D236-K441 PolarHBondContact OD1-NZ 3.36Å; D236-K441 IonicContact OD2-NZ 3.49Å; D236-K441 PolarHBondContact OD2-NZ 2.81Å
237	I	98.7	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.9	170.4	-58.6	177.8	0	0	0	106.5	L35 I234 V239 W253 I254 L309 A311 Y323 L325 K441 N442	L35-I237 HydrophobicContact CD1-CD1 4.4Å; L35-I237 HydrophobicContact CD1-CG1 4.03Å; L35-I237 HydrophobicContact CD2-CB 4.26Å; I234-I237 HydrophobicContact CG2-CD1 4.03Å; I234-I237 HydrophobicContact CG2-CG1 3.75Å; I237-V239 HydrophobicContact CG2-CG2 3.97Å; I237-W253 CarbonylContact C-O 3.57Å; I237-W253 WeakPolarHBondContact CA-O 3.41Å; I237-I254 HydrophobicContact CG1-CG1 4.25Å; I237-I254 HydrophobicContact CG1-CG2 4.41Å; I237-I254 HydrophobicContact CG2-CG1 4.36Å; I237-L309 HydrophobicContact CG2-CD2 4.05Å; I237-A311 HydrophobicContact CD1-CB 4.2Å; I237-Y323 HydrophobicContact CD1-CD1 3.53Å; I237-Y323 HydrophobicContact CD1-CE1 4.18Å; I237-Y323 HydrophobicContact CD1-CG 4.3Å; I237-L325 HydrophobicContact CB-CD2 4.19Å; I237-L325 HydrophobicContact CG2-CD2 3.68Å; I237-K441 WeakPolarHBondContact O-CE 3.36Å; I237-N442 PolarHBondContact O-ND2 2.97Å
238	T	98.8	Very high	97.3	Very high	39 Å²	39	38.7 Å²	38.7	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.1	169.9	-55.9	0	0	0	0	108.4	Y252 W253 K441	T238-Y252 CarbonylContact O-C 3.49Å; T238-Y252 WeakPolarHBondContact O-CA 3.49Å; T238-W253 HydrophobicContact CG2-CE3 4.35Å; T238-W253 PolarHBondContact N-O 2.75Å; T238-W253 PolarHBondContact O-N 2.88Å; T238-K441 HydrophobicContact CG2-CD 4.21Å; T238-K441 PolarHBondContact OG1-NZ 2.95Å
239	V	98.8	Very high	97.3	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.4	174.9	176.1	0	0	0	0	109.7	I237 T241 V250 D251 L309 L325 V327 N442	I237-V239 HydrophobicContact CG2-CG2 3.97Å; V239-T241 HydrophobicContact CG1-CG2 4.03Å; V239-V250 HydrophobicContact CG1-CG1 3.59Å; V239-D251 WeakPolarHBondContact CA-O 3.14Å; V239-L309 HydrophobicContact CG2-CD2 3.72Å; V239-L325 HydrophobicContact CG2-CD2 3.77Å; V239-V327 HydrophobicContact CG1-CG1 3.95Å; V239-V327 HydrophobicContact CG1-CG2 4.11Å; V239-V327 HydrophobicContact CG2-CG2 4.28Å; V239-N442 PolarHBondContact N-OD1 2.66Å
240	T	98.8	Very high	97.3	Very high	34 Å²	34	38.8 Å²	38.8	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.9	165.9	62.1	0	0	0	0	109.3	D251 W253 T479	T240-D251 PolarHBondContact N-O 2.82Å; T240-D251 PolarHBondContact O-N 2.91Å; T240-W253 HydrophobicContact CG2-CZ3 4.43Å; T240-T479 HydrophobicContact CG2-CG2 3.54Å
241	T	98.8	Very high	97.4	Very high	21 Å²	21	39.7 Å²	39.7	13%	0.129	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143	-176.6	64.8	0	0	0	0	112	V239 L249 V250 V327 I329 R330	V239-T241 HydrophobicContact CG1-CG2 4.03Å; T241-L249 CarbonylContact C-O 3.55Å; T241-L249 WeakPolarHBondContact CA-O 3.36Å; T241-V250 HydrophobicContact CG2-CG1 4.46Å; T241-V250 HydrophobicContact CG2-CG2 4.19Å; T241-V327 HydrophobicContact CG2-CG1 3.83Å; T241-I329 HydrophobicContact CG2-CG1 4.39Å; T241-R330 PolarHBondContact OG1-N 2.74Å; T241-R330 PolarHBondContact OG1-O 2.89Å
242	N	98.4	Very high	97.6	Very high	77 Å²	77	36.9 Å²	36.9	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	172.2	174.1	-155.9	-9.5	0	0	0	110.5	L249 T331	N242-L249 HydrophobicContact CB-CB 4.29Å; N242-L249 HydrophobicContact CB-CD1 4.46Å; N242-L249 PolarHBondContact N-O 3.36Å; N242-L249 PolarHBondContact O-N 3.21Å; N242-T331 WeakPolarHBondContact OD1-CG2 3.49Å
243	V	97.8	Very high	97.7	Very high	39 Å²	39	41 Å²	41	24%	0.236	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.9	177.3	-174.9	0	0	0	0	109.1	I247 L293 I329 T331	V243-I247 WeakPolarHBondContact CA-O 3.4Å; V243-L293 HydrophobicContact CG1-CD2 4.44Å; V243-L293 HydrophobicContact CG2-CD1 4.18Å; V243-L293 HydrophobicContact CG2-CD2 3.55Å; V243-I329 HydrophobicContact CG2-CG2 4.1Å; V243-T331 HydrophobicContact CG2-CG2 4.37Å
244	E	95.2	Very high	97.7	Very high	99 Å²	99	39.9 Å²	39.9	46%	0.463	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.6	172	-72.2	-175.9	175.8	0	0	108.8	D246 I247 L249	E244-D246 PolarHBondContact O-N 3.21Å; E244-D246 VanDerWaalsContact O-N 3.11Å; E244-I247 PolarHBondContact N-O 3.37Å; E244-I247 WeakPolarHBondContact O-CB 3.49Å; E244-I247 PolarHBondContact O-N 3.06Å; E244-L249 HydrophobicContact CB-CD1 4.44Å; E244-L249 HydrophobicContact CG-CD1 3.72Å
245	Q	91.6	Very high	97.7	Very high	187 Å²	187	41.9 Å²	41.9	87%	0.874	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	-111.6	-173.8	-56.3	175.8	-11.1	0	0	111.3
246	D	92.3	Very high	97.6	Very high	103 Å²	103	42.2 Å²	42.2	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	5.7	176.5	67.4	-31.6	0	0	0	113.1	E244 G290 A291	E244-D246 PolarHBondContact O-N 3.21Å; E244-D246 VanDerWaalsContact O-N 3.11Å; D246-G290 WeakPolarHBondContact O-CA 3.3Å; D246-G290 PolarHBondContact O-N 2.92Å; D246-A291 PolarHBondContact O-N 2.76Å
247	I	97.8	Very high	97.5	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.185	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.5	-179.5	-55.7	173.6	0	0	0	109.2	V243 E244 L249 R287 V288	V243-I247 WeakPolarHBondContact CA-O 3.4Å; E244-I247 PolarHBondContact N-O 3.37Å; E244-I247 WeakPolarHBondContact O-CB 3.49Å; E244-I247 PolarHBondContact O-N 3.06Å; I247-L249 HydrophobicContact CG2-CD2 3.95Å; I247-R287 HydrophobicContact CG2-CB 4.07Å; I247-V288 WeakPolarHBondContact CA-O 3.32Å
248	G	98.5	Very high	97.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.8	167.2	0	0	0	0	0	110.5	V288	G248-V288 PolarHBondContact N-O 2.76Å; G248-V288 PolarHBondContact O-N 3.06Å
249	L	98.8	Very high	96.6	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.4	175.1	-55.5	-178.9	0	0	0	109	T241 N242 E244 I247 Q285 L286 R287	T241-L249 CarbonylContact C-O 3.55Å; T241-L249 WeakPolarHBondContact CA-O 3.36Å; N242-L249 HydrophobicContact CB-CB 4.29Å; N242-L249 HydrophobicContact CB-CD1 4.46Å; N242-L249 PolarHBondContact N-O 3.36Å; N242-L249 PolarHBondContact O-N 3.21Å; E244-L249 HydrophobicContact CB-CD1 4.44Å; E244-L249 HydrophobicContact CG-CD1 3.72Å; I247-L249 HydrophobicContact CG2-CD2 3.95Å; L249-Q285 HydrophobicContact CB-CG 4.49Å; L249-L286 WeakPolarHBondContact CA-O 3.42Å; L249-R287 HydrophobicContact CD2-CB 4.34Å; L249-R287 HydrophobicContact CD2-CG 3.84Å
250	V	98.8	Very high	96.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	97.7	176.7	-176.9	0	0	0	0	107.9	V239 T241 L268 Q285 L286 V327 I329	V239-V250 HydrophobicContact CG1-CG1 3.59Å; T241-V250 HydrophobicContact CG2-CG1 4.46Å; T241-V250 HydrophobicContact CG2-CG2 4.19Å; V250-L268 HydrophobicContact CG2-CD2 3.97Å; V250-Q285 WeakPolarHBondContact O-CA 3.41Å; V250-L286 HydrophobicContact CB-CB 4.22Å; V250-L286 PolarHBondContact N-O 2.87Å; V250-L286 PolarHBondContact O-N 3.49Å; V250-V327 HydrophobicContact CG1-CG1 4.11Å; V250-V327 HydrophobicContact CG2-CG1 4.34Å; V250-I329 HydrophobicContact CG2-CD1 3.74Å; V250-I329 HydrophobicContact CG2-CG1 3.8Å
251	D	98.8	Very high	95.8	Very high	34 Å²	34	62.8 Å²	62.8	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.4	172.7	-57.9	-78.7	0	0	0	109	V239 T240 W253 Q285	V239-D251 WeakPolarHBondContact CA-O 3.14Å; T240-D251 PolarHBondContact N-O 2.82Å; T240-D251 PolarHBondContact O-N 2.91Å; D251-W253 HydrophobicContact CB-CH2 3.56Å; D251-W253 HydrophobicContact CB-CZ3 3.6Å; D251-Q285 WeakPolarHBondContact OD1-CG 3.38Å; D251-Q285 PolarHBondContact OD1-NE2 2.99Å
252	Y	98.8	Very high	95.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	-179	70.9	-95.2	0	0	0	112.2	T238 I254 V266 E279 T280 G281 Q283 G284 L286	T238-Y252 CarbonylContact O-C 3.49Å; T238-Y252 WeakPolarHBondContact O-CA 3.49Å; Y252-I254 HydrophobicContact CD2-CD1 3.98Å; Y252-I254 HydrophobicContact CD2-CG1 4.03Å; Y252-I254 HydrophobicContact CE2-CD1 4.29Å; Y252-V266 HydrophobicContact CD1-CG1 4.32Å; Y252-V266 HydrophobicContact CD2-CG2 4.28Å; Y252-V266 HydrophobicContact CE1-CB 4.35Å; Y252-V266 HydrophobicContact CE1-CG1 4.23Å; Y252-V266 HydrophobicContact CE2-CB 4.33Å; Y252-V266 HydrophobicContact CE2-CG1 4.48Å; Y252-V266 HydrophobicContact CE2-CG2 3.71Å; Y252-V266 HydrophobicContact CG-CG1 4.47Å; Y252-E279 HydrophobicContact CE1-CB 4.03Å; Y252-E279 VanDerWaalsContact OH-CB 3.24Å; Y252-E279 WeakPolarHBondContact OH-CB 3.47Å; Y252-T280 PolarHBondContact OH-O 2.85Å; Y252-G281 WeakPolarHBondContact CE2-O 3.18Å; Y252-Q283 WeakPolarHBondContact O-CA 3.34Å; Y252-G284 WeakPolarHBondContact CD1-O 2.97Å; Y252-G284 VanDerWaalsContact CE1-C 3.47Å; Y252-G284 PolarHBondContact N-O 2.85Å; Y252-G284 PolarHBondContact O-N 2.87Å; Y252-G284 VanDerWaalsContact O-N 3.14Å; Y252-L286 HydrophobicContact CD1-CD1 4.28Å; Y252-L286 HydrophobicContact CD1-CG 4.09Å; Y252-L286 HydrophobicContact CE1-CD1 4.44Å; Y252-L286 HydrophobicContact CE1-CD2 4.33Å; Y252-L286 HydrophobicContact CE1-CG 4.01Å
253	W	98.6	Very high	95.4	Very high	96 Å²	96	68 Å²	68	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.9	169	-63.1	-98.5	0	0	0	109	I237 T238 T240 D251 D282 Q283	I237-W253 CarbonylContact C-O 3.57Å; I237-W253 WeakPolarHBondContact CA-O 3.41Å; T238-W253 HydrophobicContact CG2-CE3 4.35Å; T238-W253 PolarHBondContact N-O 2.75Å; T238-W253 PolarHBondContact O-N 2.88Å; T240-W253 HydrophobicContact CG2-CZ3 4.43Å; D251-W253 HydrophobicContact CB-CH2 3.56Å; D251-W253 HydrophobicContact CB-CZ3 3.6Å; W253-D282 CarbonylContact C-O 3.56Å; W253-D282 WeakPolarHBondContact CA-O 3.28Å; W253-Q283 VanDerWaalsContact CD1-CD 3.43Å; W253-Q283 VanDerWaalsContact CD1-CG 3.5Å; W253-Q283 HydrophobicContact CG-CG 4.26Å
254	I	98.4	Very high	95.4	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.1	-175.5	-59.4	175.1	0	0	0	108.6	I234 D236 I237 Y252 V256 L264 V266 D282 A311	I234-I254 HydrophobicContact CG1-CG2 4.31Å; I234-I254 HydrophobicContact CG2-CG2 3.74Å; D236-I254 CarbonylContact O-C 3.56Å; D236-I254 WeakPolarHBondContact O-CA 3.49Å; I237-I254 HydrophobicContact CG1-CG1 4.25Å; I237-I254 HydrophobicContact CG1-CG2 4.41Å; I237-I254 HydrophobicContact CG2-CG1 4.36Å; Y252-I254 HydrophobicContact CD2-CD1 3.98Å; Y252-I254 HydrophobicContact CD2-CG1 4.03Å; Y252-I254 HydrophobicContact CE2-CD1 4.29Å; I254-V256 HydrophobicContact CG2-CG2 4.37Å; I254-L264 HydrophobicContact CB-CD1 4Å; I254-L264 HydrophobicContact CD1-CD1 4.5Å; I254-L264 HydrophobicContact CG2-CD1 3.86Å; I254-L264 HydrophobicContact CG2-CD2 4.27Å; I254-V266 HydrophobicContact CD1-CG2 3.53Å; I254-D282 PolarHBondContact N-O 2.75Å; I254-A311 HydrophobicContact CD1-CB 3.82Å
255	S	97.4	Very high	95.5	Very high	43 Å²	43	64.2 Å²	64.2	30%	0.301	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.5	172.5	177.8	0	0	0	0	109.5	D235 D236	D235-S255 PolarHBondContact N-O 3.36Å; D236-S255 PolarHBondContact N-O 3.32Å; D236-S255 PolarHBondContact O-N 2.95Å
256	V	96.5	Very high	95.9	Very high	24 Å²	24	55.3 Å²	55.3	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138	173.4	178.2	0	0	0	0	109.1	T232 Y233 I254 F262 L264 M313	T232-V256 HydrophobicContact CG2-CG1 3.72Å; Y233-V256 WeakPolarHBondContact O-CA 3.45Å; Y233-V256 WeakPolarHBondContact O-CG1 3.31Å; I254-V256 HydrophobicContact CG2-CG2 4.37Å; V256-F262 HydrophobicContact CB-CD1 4.21Å; V256-F262 HydrophobicContact CB-CE1 3.84Å; V256-F262 HydrophobicContact CB-CE2 4.2Å; V256-F262 HydrophobicContact CB-CZ 3.83Å; V256-F262 HydrophobicContact CG1-CD1 3.93Å; V256-F262 HydrophobicContact CG1-CE1 4.05Å; V256-F262 HydrophobicContact CG1-CG 4.21Å; V256-F262 HydrophobicContact CG1-CZ 4.44Å; V256-F262 HydrophobicContact CG2-CD2 4.15Å; V256-F262 HydrophobicContact CG2-CE1 4.37Å; V256-F262 HydrophobicContact CG2-CE2 3.82Å; V256-F262 HydrophobicContact CG2-CZ 3.93Å; V256-L264 HydrophobicContact CG2-CD1 4.03Å; V256-L264 HydrophobicContact CG2-CD2 4.45Å; V256-L264 HydrophobicContact CG2-CG 4.49Å; V256-M313 HydrophobicContact CG1-CG 4.34Å; V256-M313 HydrophobicContact CG2-CG 4.3Å
257	K	95.6	Very high	96.2	Very high	96 Å²	96	54.6 Å²	54.6	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.6	172.9	-66.1	-65.9	-176.7	-171.4	0	110.1	T232 Y233 D235	T232-K257 CarbonylContact C-O 3.52Å; T232-K257 VanDerWaalsContact CA-O 3.22Å; T232-K257 WeakPolarHBondContact CA-O 3.29Å; T232-K257 WeakPolarHBondContact CG2-O 3.33Å; Y233-K257 HydrophobicContact CD1-CB 4.45Å; Y233-K257 HydrophobicContact CE1-CB 3.83Å; Y233-K257 HydrophobicContact CE2-CB 4.02Å; Y233-K257 HydrophobicContact CE2-CG 4.37Å; Y233-K257 PolarHBondContact N-O 3.14Å; Y233-K257 PolarHBondContact O-N 2.93Å; D235-K257 HydrophobicContact CB-CB 4.35Å; D235-K257 HydrophobicContact CB-CG 3.62Å
258	G	92.3	Very high	96.2	Very high	60 Å²	60	52.9 Å²	52.9	62%	0.619	26%	0.263	S	S	*	.	S	Bend	trans	106	-115.1	-176.4	0	0	0	0	0	111.3
259	N	87.6	Confident	96.2	Very high	72 Å²	72	53.8 Å²	53.8	39%	0.385	27%	0.268	S	S	.	.			trans	-78	136.4	178.3	-166.5	-18.3	0	0	0	111.9	T232 H261 F262	T232-N259 HydrophobicContact CG2-CB 4.03Å; T232-N259 VanDerWaalsContact OG1-CB 3.29Å; T232-N259 WeakPolarHBondContact OG1-CB 3.35Å; T232-N259 PolarHBondContact OG1-N 3.4Å; N259-H261 VanDerWaalsContact C-N 3.32Å; N259-H261 PolarHBondContact OD1-N 3.36Å; N259-F262 WeakPolarHBondContact O-CD1 3.37Å
260	E	88.4	Confident	96.2	Very high	170 Å²	170	54.7 Å²	54.7	79%	0.794	27%	0.272	S	S	*	.	S	Bend	trans	-77.7	-17.6	175.4	-62.5	-176.6	172.2	0	0	112.9
261	H	91.1	Very high	96.1	Very high	149 Å²	149	60.2 Å²	60.2	69%	0.69	30%	0.298	S	S	*	.			trans	-98.6	89.8	178.5	-60.7	-52	0	0	0	111.2	N259	N259-H261 VanDerWaalsContact C-N 3.32Å; N259-H261 PolarHBondContact OD1-N 3.36Å
262	F	94.1	Very high	96	Very high	62 Å²	62	66 Å²	66	27%	0.272	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	166	177.6	62.3	-91.1	0	0	0	111.6	V256 N259 L264 M313 T314 T315	V256-F262 HydrophobicContact CB-CD1 4.21Å; V256-F262 HydrophobicContact CB-CE1 3.84Å; V256-F262 HydrophobicContact CB-CE2 4.2Å; V256-F262 HydrophobicContact CB-CZ 3.83Å; V256-F262 HydrophobicContact CG1-CD1 3.93Å; V256-F262 HydrophobicContact CG1-CE1 4.05Å; V256-F262 HydrophobicContact CG1-CG 4.21Å; V256-F262 HydrophobicContact CG1-CZ 4.44Å; V256-F262 HydrophobicContact CG2-CD2 4.15Å; V256-F262 HydrophobicContact CG2-CE1 4.37Å; V256-F262 HydrophobicContact CG2-CE2 3.82Å; V256-F262 HydrophobicContact CG2-CZ 3.93Å; N259-F262 WeakPolarHBondContact O-CD1 3.37Å; F262-L264 HydrophobicContact CD2-CD1 4.18Å; F262-L264 HydrophobicContact CD2-CG 3.91Å; F262-L264 HydrophobicContact CE2-CD1 3.61Å; F262-L264 HydrophobicContact CE2-CG 3.87Å; F262-M313 HydrophobicContact CB-CG 4.05Å; F262-M313 HydrophobicContact CB-SD 3.86Å; F262-M313 HydrophobicContact CD2-CG 4.27Å; F262-M313 HydrophobicContact CG-CG 4.37Å; F262-T314 CarbonylContact C-O 3.57Å; F262-T314 WeakPolarHBondContact CA-O 3.26Å; F262-T315 HydrophobicContact CB-CG2 4.48Å
263	Q	95.6	Very high	95.9	Very high	147 Å²	147	68.2 Å²	68.2	69%	0.687	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.7	166.9	-66	-178.3	-13.4	0	0	108.6	M313 T314	Q263-M313 CarbonylContact O-C 3.49Å; Q263-M313 WeakPolarHBondContact O-CA 3.46Å; Q263-T314 PolarHBondContact N-O 2.78Å; Q263-T314 PolarHBondContact O-N 2.54Å
264	L	97.1	Very high	95.9	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128	175.3	-82.8	169.5	0	0	0	109.7	I234 I254 V256 F262 T280 G281 D282 R312 M313	I234-L264 HydrophobicContact CG1-CD2 4.45Å; I254-L264 HydrophobicContact CB-CD1 4Å; I254-L264 HydrophobicContact CD1-CD1 4.5Å; I254-L264 HydrophobicContact CG2-CD1 3.86Å; I254-L264 HydrophobicContact CG2-CD2 4.27Å; V256-L264 HydrophobicContact CG2-CD1 4.03Å; V256-L264 HydrophobicContact CG2-CD2 4.45Å; V256-L264 HydrophobicContact CG2-CG 4.49Å; F262-L264 HydrophobicContact CD2-CD1 4.18Å; F262-L264 HydrophobicContact CD2-CG 3.91Å; F262-L264 HydrophobicContact CE2-CD1 3.61Å; F262-L264 HydrophobicContact CE2-CG 3.87Å; L264-T280 CarbonylContact O-C 3.58Å; L264-T280 VanDerWaalsContact O-CA 3.24Å; L264-T280 WeakPolarHBondContact O-CA 3.3Å; L264-T280 WeakPolarHBondContact O-CB 3.28Å; L264-G281 WeakPolarHBondContact CB-O 3.39Å; L264-G281 PolarHBondContact O-N 2.91Å; L264-D282 HydrophobicContact CD1-CB 3.77Å; L264-R312 WeakPolarHBondContact CA-O 3.48Å; L264-M313 HydrophobicContact CD2-CB 3.65Å; L264-M313 HydrophobicContact CD2-CG 4.08Å
265	E	98.1	Very high	95.9	Very high	51 Å²	51	72.7 Å²	72.7	24%	0.238	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	166.1	179.4	179.3	-161.7	0	0	108.1	R267 R312	E265-R267 HydrophobicContact CG-CG 4.36Å; E265-R267 IonicContact OE1-CZ 2.95Å; E265-R267 IonicContact OE1-NE 2.93Å; E265-R267 PolarHBondContact OE1-NE 3.37Å; E265-R267 IonicContact OE1-NH2 3.11Å; E265-R267 PolarHBondContact OE1-NH2 3.42Å; E265-R267 IonicContact OE2-CZ 2.75Å; E265-R267 IonicContact OE2-NE 3.23Å; E265-R267 IonicContact OE2-NH2 3.94Å; E265-R267 PolarHBondContact OE2-NH2 2.97Å; E265-R312 HydrophobicContact CB-CB 4.42Å; E265-R312 PolarHBondContact N-O 2.93Å; E265-R312 PolarHBondContact O-N 2.84Å; E265-R312 IonicContact OE2-NH1 3.9Å
266	V	98.6	Very high	95.9	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.7	-178.2	-173.9	0	0	0	0	108.5	Y252 I254 Q278 E279 L286 L309 E310	Y252-V266 HydrophobicContact CD1-CG1 4.32Å; Y252-V266 HydrophobicContact CD2-CG2 4.28Å; Y252-V266 HydrophobicContact CE1-CB 4.35Å; Y252-V266 HydrophobicContact CE1-CG1 4.23Å; Y252-V266 HydrophobicContact CE2-CB 4.33Å; Y252-V266 HydrophobicContact CE2-CG1 4.48Å; Y252-V266 HydrophobicContact CE2-CG2 3.71Å; Y252-V266 HydrophobicContact CG-CG1 4.47Å; I254-V266 HydrophobicContact CD1-CG2 3.53Å; V266-Q278 CarbonylContact O-C 3.57Å; V266-Q278 VanDerWaalsContact O-CA 3.23Å; V266-Q278 WeakPolarHBondContact O-CA 3.36Å; V266-E279 PolarHBondContact N-O 2.75Å; V266-E279 PolarHBondContact O-N 3.02Å; V266-L286 HydrophobicContact CG1-CD1 4.15Å; V266-L309 HydrophobicContact CG1-CD1 3.49Å; V266-L309 VanDerWaalsContact CG1-CD1 3.49Å; V266-L309 HydrophobicContact CG1-CD2 4.41Å; V266-L309 HydrophobicContact CG1-CG 3.93Å; V266-E310 WeakPolarHBondContact CA-O 3.26Å
267	R	98.8	Very high	96	Very high	87 Å²	87	72.4 Å²	72.4	33%	0.328	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.3	178.7	-61.6	178.3	-176.7	175.9	1.1	109.6	E265 L269 V275 Q278 L309 E310	E265-R267 HydrophobicContact CG-CG 4.36Å; E265-R267 IonicContact OE1-CZ 2.95Å; E265-R267 IonicContact OE1-NE 2.93Å; E265-R267 PolarHBondContact OE1-NE 3.37Å; E265-R267 IonicContact OE1-NH2 3.11Å; E265-R267 PolarHBondContact OE1-NH2 3.42Å; E265-R267 IonicContact OE2-CZ 2.75Å; E265-R267 IonicContact OE2-NE 3.23Å; E265-R267 IonicContact OE2-NH2 3.94Å; E265-R267 PolarHBondContact OE2-NH2 2.97Å; R267-L269 HydrophobicContact CB-CD1 3.86Å; R267-V275 HydrophobicContact CB-CG1 4.31Å; R267-V275 HydrophobicContact CG-CG1 4.49Å; R267-Q278 HydrophobicContact CG-CB 4.21Å; R267-L309 CarbonylContact O-C 3.57Å; R267-L309 WeakPolarHBondContact O-CA 3.45Å; R267-E310 HydrophobicContact CB-CB 4.48Å; R267-E310 PolarHBondContact N-O 2.87Å; R267-E310 PolarHBondContact O-N 3.05Å
268	L	98.8	Very high	96.2	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.8	170.2	-167.6	72.5	0	0	0	108.9	V250 V275 V276 A277 L286 V288 Y307 S308 L309 V327	V250-L268 HydrophobicContact CG2-CD2 3.97Å; L268-V275 WeakPolarHBondContact O-CA 3.35Å; L268-V276 HydrophobicContact CB-CG2 4.35Å; L268-V276 HydrophobicContact CD2-CG2 4.26Å; L268-V276 HydrophobicContact CG-CG2 4.29Å; L268-V276 VanDerWaalsContact O-CG2 3.3Å; L268-V276 WeakPolarHBondContact O-CG2 3.18Å; L268-V276 PolarHBondContact O-N 3.45Å; L268-A277 HydrophobicContact CB-CB 4.32Å; L268-A277 PolarHBondContact N-O 3.28Å; L268-A277 PolarHBondContact O-N 3.31Å; L268-L286 HydrophobicContact CB-CD1 3.86Å; L268-V288 HydrophobicContact CD2-CG2 3.49Å; L268-V288 VanDerWaalsContact CD2-CG2 3.49Å; L268-Y307 HydrophobicContact CD1-CG 4.34Å; L268-Y307 HydrophobicContact CD2-CD1 4.16Å; L268-Y307 HydrophobicContact CD2-CG 4.16Å; L268-Y307 HydrophobicContact CG-CD1 4.11Å; L268-Y307 HydrophobicContact CG-CG 4.12Å; L268-S308 WeakPolarHBondContact CA-O 3.34Å; L268-L309 HydrophobicContact CD1-CB 4.1Å; L268-L309 HydrophobicContact CD1-CD1 3.99Å; L268-V327 HydrophobicContact CD1-CB 4.4Å
269	L	98.8	Very high	96.4	Very high	19 Å²	19	75.3 Å²	75.3	10%	0.099	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.7	-179.9	-67.6	70.9	0	0	0	109.7	R267 K274 V275 Y307 S308 E310	R267-L269 HydrophobicContact CB-CD1 3.86Å; L269-K274 CarbonylContact C-O 3.58Å; L269-K274 VanDerWaalsContact CA-O 3.28Å; L269-K274 WeakPolarHBondContact CA-O 3.31Å; L269-V275 HydrophobicContact CD1-CG2 4.37Å; L269-V275 HydrophobicContact CG-CG2 4.19Å; L269-Y307 CarbonylContact O-C 3.58Å; L269-Y307 WeakPolarHBondContact O-CA 3.47Å; L269-Y307 VanDerWaalsContact O-CB 3.25Å; L269-Y307 WeakPolarHBondContact O-CB 3.41Å; L269-Y307 WeakPolarHBondContact O-CD1 3.38Å; L269-S308 PolarHBondContact N-O 3.42Å; L269-S308 PolarHBondContact O-N 3.15Å; L269-E310 HydrophobicContact CD1-CB 4.11Å; L269-E310 HydrophobicContact CD1-CG 3.73Å
270	D	98.5	Very high	96.9	Very high	23 Å²	23	76.7 Å²	76.7	12%	0.123	39%	0.386	C	S	.	.			trans	-76.4	179.6	169.4	64.9	21.3	0	0	0	112.6	D272 G273 K274 V276 Y305 Y307	D270-D272 PolarHBondContact O-N 2.87Å; D270-D272 PolarHBondContact OD1-N 3.24Å; D270-D272 VanDerWaalsContact OD1-N 3.15Å; D270-G273 PolarHBondContact O-N 3.49Å; D270-G273 PolarHBondContact OD1-N 3.16Å; D270-G273 VanDerWaalsContact OD1-N 3.17Å; D270-K274 PolarHBondContact N-O 3Å; D270-K274 WeakPolarHBondContact OD1-CB 3.38Å; D270-K274 PolarHBondContact OD1-N 3.38Å; D270-V276 HydrophobicContact CB-CG1 3.92Å; D270-Y305 WeakPolarHBondContact CB-OH 3.41Å; D270-Y307 HydrophobicContact CB-CD1 4.22Å; D270-Y307 HydrophobicContact CB-CE1 4.13Å
271	E	96.3	Very high	97.3	Very high	116 Å²	116	69.9 Å²	69.9	54%	0.542	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	-178.5	-72.2	-172.3	168.5	0	0	113.5	G273 Y305 L306	E271-G273 VanDerWaalsContact C-N 3.29Å; E271-Y305 HydrophobicContact CB-CE2 4.33Å; E271-Y305 HydrophobicContact CG-CD2 4.18Å; E271-Y305 HydrophobicContact CG-CE1 4.15Å; E271-Y305 HydrophobicContact CG-CE2 3.81Å; E271-Y305 WeakPolarHBondContact OE1-CA 3.26Å; E271-L306 WeakPolarHBondContact CG-O 3.41Å; E271-L306 PolarHBondContact OE1-N 3.26Å
272	D	96.7	Very high	97.5	Very high	157 Å²	157	67 Å²	67	84%	0.84	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	0.8	175.9	-66.1	-43.4	0	0	0	112.1	D270	D270-D272 PolarHBondContact O-N 2.87Å; D270-D272 PolarHBondContact OD1-N 3.24Å; D270-D272 VanDerWaalsContact OD1-N 3.15Å
273	G	96.7	Very high	97.7	Very high	45 Å²	45	69.8 Å²	69.8	46%	0.464	37%	0.365	S	S	.	.	S	Bend	trans	80	14.5	179.6	0	0	0	0	0	114.3	D270 E271	D270-G273 PolarHBondContact O-N 3.49Å; D270-G273 PolarHBondContact OD1-N 3.16Å; D270-G273 VanDerWaalsContact OD1-N 3.17Å; E271-G273 VanDerWaalsContact C-N 3.29Å
274	K	98.2	Very high	97.8	Very high	141 Å²	141	63.8 Å²	63.8	61%	0.613	34%	0.343	S	S	*	.			trans	-86.4	132.9	177.2	177.5	-171.2	174.9	-169.5	0	110.2	L269 D270 V276	L269-K274 CarbonylContact C-O 3.58Å; L269-K274 VanDerWaalsContact CA-O 3.28Å; L269-K274 WeakPolarHBondContact CA-O 3.31Å; D270-K274 PolarHBondContact N-O 3Å; D270-K274 WeakPolarHBondContact OD1-CB 3.38Å; D270-K274 PolarHBondContact OD1-N 3.38Å; K274-V276 PolarHBondContact O-N 2.93Å
275	V	98.6	Very high	97.9	Very high	57 Å²	57	67.1 Å²	67.1	35%	0.345	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	116.4	172.9	-177.7	0	0	0	0	109.4	R267 L268 L269 A277 Q278	R267-V275 HydrophobicContact CB-CG1 4.31Å; R267-V275 HydrophobicContact CG-CG1 4.49Å; L268-V275 WeakPolarHBondContact O-CA 3.35Å; L269-V275 HydrophobicContact CD1-CG2 4.37Å; L269-V275 HydrophobicContact CG-CG2 4.19Å; V275-A277 WeakPolarHBondContact CG1-O 3.38Å; V275-Q278 HydrophobicContact CG1-CB 4.37Å
276	V	98.5	Very high	97.9	Very high	48 Å²	48	64.8 Å²	64.8	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-22.1	179.4	-66.3	0	0	0	0	113.1	L268 D270 K274 V288 Y307	L268-V276 HydrophobicContact CB-CG2 4.35Å; L268-V276 HydrophobicContact CD2-CG2 4.26Å; L268-V276 HydrophobicContact CG-CG2 4.29Å; L268-V276 VanDerWaalsContact O-CG2 3.3Å; L268-V276 WeakPolarHBondContact O-CG2 3.18Å; L268-V276 PolarHBondContact O-N 3.45Å; D270-V276 HydrophobicContact CB-CG1 3.92Å; K274-V276 PolarHBondContact O-N 2.93Å; V276-V288 HydrophobicContact CB-CG1 4.39Å; V276-V288 HydrophobicContact CG2-CG1 4.13Å; V276-V288 HydrophobicContact CG2-CG2 4.34Å; V276-Y307 HydrophobicContact CG2-CD1 3.94Å; V276-Y307 HydrophobicContact CG2-CE1 3.88Å
277	A	98.4	Very high	97.9	Very high	14 Å²	14	71.1 Å²	71.1	12%	0.116	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.1	172.9	0	0	0	0	0	110.1	L268 V275 L286 V288	L268-A277 HydrophobicContact CB-CB 4.32Å; L268-A277 PolarHBondContact N-O 3.28Å; L268-A277 PolarHBondContact O-N 3.31Å; V275-A277 WeakPolarHBondContact CG1-O 3.38Å; A277-L286 HydrophobicContact CB-CB 3.86Å; A277-L286 HydrophobicContact CB-CD2 4.08Å; A277-L286 HydrophobicContact CB-CG 4.46Å; A277-V288 HydrophobicContact CB-CG2 4.32Å
278	Q	98.3	Very high	97.9	Very high	123 Å²	123	67.2 Å²	67.2	58%	0.575	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.6	176.9	65.2	-175.4	1	0	0	110.6	V266 R267 V275 L286	V266-Q278 CarbonylContact O-C 3.57Å; V266-Q278 VanDerWaalsContact O-CA 3.23Å; V266-Q278 WeakPolarHBondContact O-CA 3.36Å; R267-Q278 HydrophobicContact CG-CB 4.21Å; V275-Q278 HydrophobicContact CG1-CB 4.37Å; Q278-L286 VanDerWaalsContact C-CD2 3.48Å
279	E	98.1	Very high	97.9	Very high	93 Å²	93	71.8 Å²	71.8	44%	0.435	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	174.2	174.2	-83.4	-63.2	168.5	0	0	110.4	Y252 V266 L286	Y252-E279 HydrophobicContact CE1-CB 4.03Å; Y252-E279 VanDerWaalsContact OH-CB 3.24Å; Y252-E279 WeakPolarHBondContact OH-CB 3.47Å; V266-E279 PolarHBondContact N-O 2.75Å; V266-E279 PolarHBondContact O-N 3.02Å; E279-L286 HydrophobicContact CB-CD2 3.68Å; E279-L286 HydrophobicContact CG-CD2 3.62Å
280	T	97.4	Very high	97.7	Very high	102 Å²	102	73.2 Å²	73.2	63%	0.626	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.7	173.6	60.5	0	0	0	0	111.2	Y252 L264	Y252-T280 PolarHBondContact OH-O 2.85Å; L264-T280 CarbonylContact O-C 3.58Å; L264-T280 VanDerWaalsContact O-CA 3.24Å; L264-T280 WeakPolarHBondContact O-CA 3.3Å; L264-T280 WeakPolarHBondContact O-CB 3.28Å
281	G	96.9	Very high	97.7	Very high	26 Å²	26	73 Å²	73	27%	0.268	41%	0.407	S	S	.	.	S	Bend	trans	98.2	172.2	-179.5	0	0	0	0	0	113.4	Y252 L264	Y252-G281 WeakPolarHBondContact CE2-O 3.18Å; L264-G281 WeakPolarHBondContact CB-O 3.39Å; L264-G281 PolarHBondContact O-N 2.91Å
282	D	95.8	Very high	97.8	Very high	90 Å²	90	71.4 Å²	71.4	48%	0.481	40%	0.403	S	S	.	.	S	Bend	trans	-83.4	-14.1	-177.9	58.9	-20.3	0	0	0	113.6	W253 I254 L264	W253-D282 CarbonylContact C-O 3.56Å; W253-D282 WeakPolarHBondContact CA-O 3.28Å; I254-D282 PolarHBondContact N-O 2.75Å; L264-D282 HydrophobicContact CD1-CB 3.77Å
283	Q	98.1	Very high	97.9	Very high	119 Å²	119	65.4 Å²	65.4	56%	0.556	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.6	172.7	177.3	179.4	-5.6	0	0	110.4	Y252 W253	Y252-Q283 WeakPolarHBondContact O-CA 3.34Å; W253-Q283 VanDerWaalsContact CD1-CD 3.43Å; W253-Q283 VanDerWaalsContact CD1-CG 3.5Å; W253-Q283 HydrophobicContact CG-CG 4.26Å
284	G	98.1	Very high	98	Very high	21 Å²	21	63.3 Å²	63.3	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-178.5	176.4	0	0	0	0	0	113.4	Y252	Y252-G284 WeakPolarHBondContact CD1-O 2.97Å; Y252-G284 VanDerWaalsContact CE1-C 3.47Å; Y252-G284 PolarHBondContact N-O 2.85Å; Y252-G284 PolarHBondContact O-N 2.87Å; Y252-G284 VanDerWaalsContact O-N 3.14Å
285	Q	98.4	Very high	98	Very high	77 Å²	77	57.8 Å²	57.8	36%	0.36	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.6	176	-177	-177.4	94.1	0	0	109.7	L249 V250 D251	L249-Q285 HydrophobicContact CB-CG 4.49Å; V250-Q285 WeakPolarHBondContact O-CA 3.41Å; D251-Q285 WeakPolarHBondContact OD1-CG 3.38Å; D251-Q285 PolarHBondContact OD1-NE2 2.99Å
286	L	98.7	Very high	98	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.1	173.5	-58	170.1	0	0	0	109.4	L249 V250 Y252 V266 L268 A277 Q278 E279 L309	L249-L286 WeakPolarHBondContact CA-O 3.42Å; V250-L286 HydrophobicContact CB-CB 4.22Å; V250-L286 PolarHBondContact N-O 2.87Å; V250-L286 PolarHBondContact O-N 3.49Å; Y252-L286 HydrophobicContact CD1-CD1 4.28Å; Y252-L286 HydrophobicContact CD1-CG 4.09Å; Y252-L286 HydrophobicContact CE1-CD1 4.44Å; Y252-L286 HydrophobicContact CE1-CD2 4.33Å; Y252-L286 HydrophobicContact CE1-CG 4.01Å; V266-L286 HydrophobicContact CG1-CD1 4.15Å; L268-L286 HydrophobicContact CB-CD1 3.86Å; A277-L286 HydrophobicContact CB-CB 3.86Å; A277-L286 HydrophobicContact CB-CD2 4.08Å; A277-L286 HydrophobicContact CB-CG 4.46Å; Q278-L286 VanDerWaalsContact C-CD2 3.48Å; E279-L286 HydrophobicContact CB-CD2 3.68Å; E279-L286 HydrophobicContact CG-CD2 3.62Å; L286-L309 HydrophobicContact CD1-CD1 3.47Å; L286-L309 VanDerWaalsContact CD1-CD1 3.47Å
287	R	98.5	Very high	98	Very high	134 Å²	134	54 Å²	54	51%	0.506	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.7	178.7	-54.3	-177.3	79.1	-177.5	6.9	109.6	I247 L249 P289	I247-R287 HydrophobicContact CG2-CB 4.07Å; L249-R287 HydrophobicContact CD2-CB 4.34Å; L249-R287 HydrophobicContact CD2-CG 3.84Å; R287-P289 WeakPolarHBondContact O-CD 3.38Å
288	V	98.4	Very high	98	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	95.4	-176	-172.8	0	0	0	0	109.1	I247 G248 L268 V276 A277 A291 Y307 I329	I247-V288 WeakPolarHBondContact CA-O 3.32Å; G248-V288 PolarHBondContact N-O 2.76Å; G248-V288 PolarHBondContact O-N 3.06Å; L268-V288 HydrophobicContact CD2-CG2 3.49Å; L268-V288 VanDerWaalsContact CD2-CG2 3.49Å; V276-V288 HydrophobicContact CB-CG1 4.39Å; V276-V288 HydrophobicContact CG2-CG1 4.13Å; V276-V288 HydrophobicContact CG2-CG2 4.34Å; A277-V288 HydrophobicContact CB-CG2 4.32Å; V288-A291 HydrophobicContact CB-CB 4.09Å; V288-A291 HydrophobicContact CG1-CB 3.96Å; V288-A291 WeakPolarHBondContact O-CB 3.12Å; V288-A291 PolarHBondContact O-N 3.03Å; V288-Y307 HydrophobicContact CG1-CE1 4.21Å; V288-I329 HydrophobicContact CB-CD1 4.36Å; V288-I329 HydrophobicContact CG2-CD1 4.14Å
289	P	97.5	Very high	97.9	Very high	95 Å²	95	49.9 Å²	49.9	62%	0.617	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	135.4	175.7	-20.9	33.4	0	0	0	111.6	R287 A291	R287-P289 WeakPolarHBondContact O-CD 3.38Å; P289-A291 VanDerWaalsContact C-N 3.32Å
290	G	96.4	Very high	97.8	Very high	50 Å²	50	49.1 Å²	49.1	52%	0.515	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	37.2	-178	0	0	0	0	0	112.7	D246 N292	D246-G290 WeakPolarHBondContact O-CA 3.3Å; D246-G290 PolarHBondContact O-N 2.92Å; G290-N292 PolarHBondContact O-N 2.9Å
291	A	97.3	Very high	97.6	Very high	17 Å²	17	50.4 Å²	50.4	14%	0.14	28%	0.277	C	S	.	.			trans	-60.1	130.6	-174.3	0	0	0	0	0	112.4	D246 V288 P289 L293 I329	D246-A291 PolarHBondContact O-N 2.76Å; V288-A291 HydrophobicContact CB-CB 4.09Å; V288-A291 HydrophobicContact CG1-CB 3.96Å; V288-A291 WeakPolarHBondContact O-CB 3.12Å; V288-A291 PolarHBondContact O-N 3.03Å; P289-A291 VanDerWaalsContact C-N 3.32Å; A291-L293 HydrophobicContact CB-CD2 4.33Å; A291-L293 PolarHBondContact O-N 2.9Å; A291-I329 HydrophobicContact CB-CD1 4.16Å
292	N	98.1	Very high	97.5	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	29%	0.294	S	S	.	.			trans	-69.5	115	160.8	-64	-52.4	0	0	0	109	G290 Y305 Y307	G290-N292 PolarHBondContact O-N 2.9Å; N292-Y305 HydrophobicContact CB-CD1 3.6Å; N292-Y305 HydrophobicContact CB-CD2 3.57Å; N292-Y305 HydrophobicContact CB-CE1 3.68Å; N292-Y305 HydrophobicContact CB-CE2 3.61Å; N292-Y305 HydrophobicContact CB-CG 3.54Å; N292-Y305 WeakPolarHBondContact ND2-CE2 3.13Å; N292-Y305 PolarHBondContact ND2-OH 2.89Å; N292-Y307 PolarHBondContact N-OH 3.25Å; N292-Y307 VanDerWaalsContact O-CE2 3.25Å; N292-Y307 WeakPolarHBondContact O-CE2 3.21Å; N292-Y307 PolarHBondContact O-OH 2.86Å
293	L	98.6	Very high	97.5	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.162	28%	0.284	C	S	.	.			trans	-82.3	150.4	179.2	-55.4	-176.1	0	0	0	111.1	V243 A291 W295 I329 N342	V243-L293 HydrophobicContact CG1-CD2 4.44Å; V243-L293 HydrophobicContact CG2-CD1 4.18Å; V243-L293 HydrophobicContact CG2-CD2 3.55Å; A291-L293 HydrophobicContact CB-CD2 4.33Å; A291-L293 PolarHBondContact O-N 2.9Å; L293-W295 HydrophobicContact CD1-CZ2 4.29Å; L293-W295 VanDerWaalsContact O-CD1 3.31Å; L293-W295 PolarHBondContact O-N 2.87Å; L293-I329 CarbonylContact C-O 3.59Å; L293-I329 WeakPolarHBondContact CA-O 3.15Å; L293-I329 HydrophobicContact CD2-CB 4.25Å; L293-I329 HydrophobicContact CD2-CG2 3.76Å; L293-N342 HydrophobicContact CD1-CB 4.1Å
294	W	98.8	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.			trans	-72.4	120.2	166.9	-173.8	97.9	0	0	0	108.9	P296 I329 R330 N342 D400 G403 V405 P444 A445	W294-P296 HydrophobicContact CH2-CG 4.41Å; W294-P296 HydrophobicContact CZ3-CG 3.85Å; W294-I329 PolarHBondContact N-O 2.92Å; W294-R330 HydrophobicContact CB-CB 4.21Å; W294-R330 HydrophobicContact CB-CG 4.37Å; W294-R330 HydrophobicContact CE3-CB 4.42Å; W294-R330 HydrophobicContact CE3-CG 4.11Å; W294-N342 PolarHBondContact O-ND2 3.11Å; W294-D400 PolarHBondContact NE1-O 3.23Å; W294-G403 VanDerWaalsContact CZ2-CA 3.49Å; W294-V405 HydrophobicContact CH2-CG2 3.86Å; W294-V405 HydrophobicContact CZ3-CG2 4.13Å; W294-P444 HydrophobicContact CD2-CB 4Å; W294-P444 HydrophobicContact CG-CB 3.99Å; W294-P444 HydrophobicContact CG-CG 4.37Å; W294-A445 HydrophobicContact CH2-CB 4.44Å; W294-A445 HydrophobicContact CZ2-CB 4.13Å
295	W	98.8	Very high	97.6	Very high	26 Å²	26	48 Å²	48	10%	0.098	25%	0.253	C	S	.	.			trans	-116	140.2	176.2	-72.8	101.4	0	0	0	110.5	L293 M299 H300 P303 A304 N342 K344	L293-W295 HydrophobicContact CD1-CZ2 4.29Å; L293-W295 VanDerWaalsContact O-CD1 3.31Å; L293-W295 PolarHBondContact O-N 2.87Å; W295-M299 HydrophobicContact CE3-CB 4.35Å; W295-M299 HydrophobicContact CE3-CE 4.27Å; W295-M299 HydrophobicContact CE3-CG 3.9Å; W295-M299 HydrophobicContact CE3-SD 3.74Å; W295-M299 HydrophobicContact CZ3-CE 3.82Å; W295-M299 HydrophobicContact CZ3-CG 4.28Å; W295-M299 HydrophobicContact CZ3-SD 3.93Å; W295-H300 HydrophobicContact CB-CB 3.44Å; W295-H300 VanDerWaalsContact CB-CB 3.44Å; W295-H300 AromaticContact CD1-CD2 3.9Å; W295-H300 AromaticContact CD1-CG 3.54Å; W295-H300 AromaticContact CD1-ND1 3.83Å; W295-H300 HydrophobicContact CD2-CB 4.2Å; W295-H300 HydrophobicContact CG-CB 3.48Å; W295-H300 VanDerWaalsContact CG-CB 3.48Å; W295-H300 AromaticContact CG-CG 3.89Å; W295-H300 AromaticContact NE1-CD2 3.92Å; W295-P303 CarbonylContact O-C 3.55Å; W295-P303 WeakPolarHBondContact O-CA 3.49Å; W295-P303 WeakPolarHBondContact O-CB 3.26Å; W295-A304 PolarHBondContact O-N 3.12Å; W295-N342 HydrophobicContact CE3-CB 4.38Å; W295-N342 HydrophobicContact CH2-CB 3.37Å; W295-N342 HydrophobicContact CZ2-CB 3.84Å; W295-N342 HydrophobicContact CZ3-CB 3.68Å; W295-K344 HydrophobicContact CH2-CB 4.43Å; W295-K344 HydrophobicContact CH2-CD 3.66Å; W295-K344 HydrophobicContact CH2-CG 3.97Å; W295-K344 HydrophobicContact CZ3-CB 4.28Å; W295-K344 HydrophobicContact CZ3-CD 3.99Å; W295-K344 HydrophobicContact CZ3-CG 4.28Å
296	P	98.7	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.			trans	-56.1	152.5	170.1	-25.2	33.5	0	0	0	112.7	W294 L298 M299 I341 F346 G403 V405	W294-P296 HydrophobicContact CH2-CG 4.41Å; W294-P296 HydrophobicContact CZ3-CG 3.85Å; P296-L298 PolarHBondContact O-N 3.36Å; P296-M299 HydrophobicContact CB-CB 4.23Å; P296-M299 HydrophobicContact CG-SD 3.98Å; P296-M299 VanDerWaalsContact O-CB 3.3Å; P296-M299 WeakPolarHBondContact O-CB 3.35Å; P296-M299 PolarHBondContact O-N 3.24Å; P296-I341 HydrophobicContact CG-CD1 3.67Å; P296-I341 HydrophobicContact CG-CG2 4.2Å; P296-F346 HydrophobicContact CB-CD2 4.43Å; P296-F346 HydrophobicContact CB-CE2 3.74Å; P296-F346 HydrophobicContact CB-CZ 4.49Å; P296-F346 HydrophobicContact CG-CD2 4.08Å; P296-F346 HydrophobicContact CG-CE2 3.8Å; P296-G403 CarbonylContact C-O 3.39Å; P296-G403 VanDerWaalsContact CA-O 3.28Å; P296-G403 WeakPolarHBondContact CA-O 3.18Å; P296-V405 HydrophobicContact CB-CG2 3.76Å; P296-V405 HydrophobicContact CG-CG2 3.62Å
297	Y	98.4	Very high	97.6	Very high	24 Å²	24	45.6 Å²	45.6	9%	0.094	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	136.4	168.6	176.1	-125.8	0	0	0	109.9	M299 Y377 G403 I404 W630	Y297-M299 PolarHBondContact O-N 3.22Å; Y297-Y377 HydrophobicContact CD1-CD2 4.46Å; Y297-Y377 HydrophobicContact CD1-CE2 4.25Å; Y297-Y377 HydrophobicContact CD2-CD1 4.33Å; Y297-Y377 AromaticContact CD2-CE1 3.68Å; Y297-Y377 HydrophobicContact CD2-CE1 3.68Å; Y297-Y377 HydrophobicContact CD2-CE2 4.3Å; Y297-Y377 AromaticContact CD2-CZ 3.64Å; Y297-Y377 HydrophobicContact CE1-CD1 4.33Å; Y297-Y377 HydrophobicContact CE1-CD2 4.36Å; Y297-Y377 HydrophobicContact CE1-CG 4.24Å; Y297-Y377 AromaticContact CE2-CD1 3.74Å; Y297-Y377 HydrophobicContact CE2-CD1 3.74Å; Y297-Y377 AromaticContact CE2-CE1 3.47Å; Y297-Y377 HydrophobicContact CE2-CE1 3.47Å; Y297-Y377 VanDerWaalsContact CE2-CE1 3.47Å; Y297-Y377 HydrophobicContact CE2-CG 4.44Å; Y297-Y377 AromaticContact CE2-CZ 3.91Å; Y297-Y377 HydrophobicContact CG-CE1 4.34Å; Y297-Y377 HydrophobicContact CG-CE2 4.15Å; Y297-Y377 AromaticContact CG-CZ 3.92Å; Y297-Y377 AromaticContact CZ-CD1 3.74Å; Y297-Y377 AromaticContact CZ-CE1 3.95Å; Y297-Y377 PolarHBondContact OH-O 3.26Å; Y297-G403 PolarHBondContact N-O 2.85Å; Y297-I404 HydrophobicContact CD1-CD1 4.07Å; Y297-I404 HydrophobicContact CG-CD1 4.36Å; Y297-W630 VanDerWaalsContact OH-CH2 3.31Å; Y297-W630 WeakPolarHBondContact OH-CH2 3.43Å; Y297-W630 WeakPolarHBondContact OH-CZ2 3.32Å
298	L	97.8	Very high	97.6	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-5.8	-174.2	-52.1	177.6	0	0	0	116.7	P296 W630 A633 R637	P296-L298 PolarHBondContact O-N 3.36Å; L298-W630 HydrophobicContact CD2-CE3 4.49Å; L298-W630 HydrophobicContact CD2-CH2 3.98Å; L298-W630 HydrophobicContact CD2-CZ3 3.82Å; L298-A633 HydrophobicContact CB-CB 3.96Å; L298-A633 HydrophobicContact CD1-CB 3.49Å; L298-A633 VanDerWaalsContact CD1-CB 3.49Å; L298-A633 HydrophobicContact CG-CB 4.24Å; L298-R637 PolarHBondContact O-NE 3.41Å
299	M	97.3	Very high	97.6	Very high	45 Å²	45	41 Å²	41	22%	0.222	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.6	-179.3	-154.3	173.5	-178.2	0	0	114.2	W295 P296 Y297 K344 F346	W295-M299 HydrophobicContact CE3-CB 4.35Å; W295-M299 HydrophobicContact CE3-CE 4.27Å; W295-M299 HydrophobicContact CE3-CG 3.9Å; W295-M299 HydrophobicContact CE3-SD 3.74Å; W295-M299 HydrophobicContact CZ3-CE 3.82Å; W295-M299 HydrophobicContact CZ3-CG 4.28Å; W295-M299 HydrophobicContact CZ3-SD 3.93Å; P296-M299 HydrophobicContact CB-CB 4.23Å; P296-M299 HydrophobicContact CG-SD 3.98Å; P296-M299 VanDerWaalsContact O-CB 3.3Å; P296-M299 WeakPolarHBondContact O-CB 3.35Å; P296-M299 PolarHBondContact O-N 3.24Å; Y297-M299 PolarHBondContact O-N 3.22Å; M299-K344 HydrophobicContact CE-CB 3.55Å; M299-F346 HydrophobicContact SD-CD2 3.89Å
300	H	95.9	Very high	97.7	Very high	76 Å²	76	40 Å²	40	35%	0.352	22%	0.218	S	C	.	.	S	Bend	trans	-148.6	162	179.7	-167.2	-110.7	0	0	0	111	W295 H302	W295-H300 HydrophobicContact CB-CB 3.44Å; W295-H300 VanDerWaalsContact CB-CB 3.44Å; W295-H300 AromaticContact CD1-CD2 3.9Å; W295-H300 AromaticContact CD1-CG 3.54Å; W295-H300 AromaticContact CD1-ND1 3.83Å; W295-H300 HydrophobicContact CD2-CB 4.2Å; W295-H300 HydrophobicContact CG-CB 3.48Å; W295-H300 VanDerWaalsContact CG-CB 3.48Å; W295-H300 AromaticContact CG-CG 3.89Å; W295-H300 AromaticContact NE1-CD2 3.92Å; H300-H302 VanDerWaalsContact C-N 3.31Å; H300-H302 PolarHBondContact ND1-N 3.47Å; H300-H302 VanDerWaalsContact ND1-N 3.12Å; H300-H302 PolarHBondContact ND1-O 3Å
301	D	93.3	Very high	97.8	Very high	130 Å²	130	37.7 Å²	37.7	70%	0.695	19%	0.194	S	C	*	.	S	Bend	trans	-71.8	-29.2	177.3	-70	-28.4	0	0	0	112.3	P303	D301-P303 WeakPolarHBondContact O-CD 3.49Å
302	H	94.1	Very high	97.8	Very high	137 Å²	137	41.5 Å²	41.5	63%	0.634	21%	0.205	S	C	*	.	S	Bend	trans	-119.8	78.4	172.4	-58.4	-71.3	0	0	0	108.4	H300	H300-H302 VanDerWaalsContact C-N 3.31Å; H300-H302 PolarHBondContact ND1-N 3.47Å; H300-H302 VanDerWaalsContact ND1-N 3.12Å; H300-H302 PolarHBondContact ND1-O 3Å
303	P	97.1	Very high	97.7	Very high	40 Å²	40	37.5 Å²	37.5	26%	0.26	18%	0.183	S	C	.	.			trans	-72	166.6	176.9	33.1	-35.2	0	0	0	110.3	W295 D301 Y305	W295-P303 CarbonylContact O-C 3.55Å; W295-P303 WeakPolarHBondContact O-CA 3.49Å; W295-P303 WeakPolarHBondContact O-CB 3.26Å; D301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-Y305 VanDerWaalsContact C-N 3.29Å; P303-Y305 PolarHBondContact O-N 2.98Å
304	A	98.3	Very high	97.6	Very high	6 Å²	6	37.6 Å²	37.6	5%	0.05	19%	0.186	C	C	.	.	S	Bend	trans	63	27	166.2	0	0	0	0	0	116.3	W295 L306 D400 R401 G403	W295-A304 PolarHBondContact O-N 3.12Å; A304-L306 PolarHBondContact O-N 2.93Å; A304-D400 WeakPolarHBondContact CB-O 3.44Å; A304-R401 VanDerWaalsContact CB-O 3.24Å; A304-R401 WeakPolarHBondContact CB-O 3.45Å; A304-G403 VanDerWaalsContact CB-N 3.25Å
305	Y	98.8	Very high	97.2	Very high	23 Å²	23	38.7 Å²	38.7	9%	0.09	19%	0.192	C	C	.	.			trans	-60.5	125.9	179.8	-167	-79.8	0	0	0	111.3	D270 E271 N292 P303 Y307	D270-Y305 WeakPolarHBondContact CB-OH 3.41Å; E271-Y305 HydrophobicContact CB-CE2 4.33Å; E271-Y305 HydrophobicContact CG-CD2 4.18Å; E271-Y305 HydrophobicContact CG-CE1 4.15Å; E271-Y305 HydrophobicContact CG-CE2 3.81Å; E271-Y305 WeakPolarHBondContact OE1-CA 3.26Å; N292-Y305 HydrophobicContact CB-CD1 3.6Å; N292-Y305 HydrophobicContact CB-CD2 3.57Å; N292-Y305 HydrophobicContact CB-CE1 3.68Å; N292-Y305 HydrophobicContact CB-CE2 3.61Å; N292-Y305 HydrophobicContact CB-CG 3.54Å; N292-Y305 WeakPolarHBondContact ND2-CE2 3.13Å; N292-Y305 PolarHBondContact ND2-OH 2.89Å; P303-Y305 VanDerWaalsContact C-N 3.29Å; P303-Y305 PolarHBondContact O-N 2.98Å; Y305-Y307 AromaticContact CD1-CD2 3.99Å; Y305-Y307 HydrophobicContact CD1-CD2 3.99Å; Y305-Y307 AromaticContact CD1-CE2 3.65Å; Y305-Y307 HydrophobicContact CD1-CE2 3.65Å; Y305-Y307 HydrophobicContact CE1-CD1 4.1Å; Y305-Y307 AromaticContact CE1-CD2 3.85Å; Y305-Y307 HydrophobicContact CE1-CD2 3.85Å; Y305-Y307 AromaticContact CE1-CE1 3.75Å; Y305-Y307 HydrophobicContact CE1-CE1 3.75Å; Y305-Y307 AromaticContact CE1-CE2 3.49Å; Y305-Y307 HydrophobicContact CE1-CE2 3.49Å; Y305-Y307 VanDerWaalsContact CE1-CE2 3.49Å; Y305-Y307 HydrophobicContact CE1-CG 4.13Å; Y305-Y307 AromaticContact CE1-CZ 3.42Å; Y305-Y307 VanDerWaalsContact CE1-CZ 3.42Å
306	L	98.9	Very high	96.2	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.126	23%	0.232	C	C	.	.			trans	-124.1	123.8	-179.3	-69.7	171.6	0	0	0	111.1	E271 A304 P326 D400 R401 P444	E271-L306 WeakPolarHBondContact CG-O 3.41Å; E271-L306 PolarHBondContact OE1-N 3.26Å; A304-L306 PolarHBondContact O-N 2.93Å; L306-P326 HydrophobicContact CD1-CB 4.38Å; L306-P326 HydrophobicContact CD2-CB 4.46Å; L306-D400 HydrophobicContact CD1-CB 4.12Å; L306-D400 HydrophobicContact CD2-CB 4.33Å; L306-R401 HydrophobicContact CD1-CB 4.45Å; L306-R401 HydrophobicContact CD1-CG 3.77Å; L306-P444 HydrophobicContact CD2-CG 3.86Å
307	Y	98.9	Very high	94.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	167.5	161.6	-62.2	-92.9	0	0	0	110.2	L268 L269 D270 V276 V288 N292 Y305 P326 V327 I329	L268-Y307 HydrophobicContact CD1-CG 4.34Å; L268-Y307 HydrophobicContact CD2-CD1 4.16Å; L268-Y307 HydrophobicContact CD2-CG 4.16Å; L268-Y307 HydrophobicContact CG-CD1 4.11Å; L268-Y307 HydrophobicContact CG-CG 4.12Å; L269-Y307 CarbonylContact O-C 3.58Å; L269-Y307 WeakPolarHBondContact O-CA 3.47Å; L269-Y307 VanDerWaalsContact O-CB 3.25Å; L269-Y307 WeakPolarHBondContact O-CB 3.41Å; L269-Y307 WeakPolarHBondContact O-CD1 3.38Å; D270-Y307 HydrophobicContact CB-CD1 4.22Å; D270-Y307 HydrophobicContact CB-CE1 4.13Å; V276-Y307 HydrophobicContact CG2-CD1 3.94Å; V276-Y307 HydrophobicContact CG2-CE1 3.88Å; V288-Y307 HydrophobicContact CG1-CE1 4.21Å; N292-Y307 PolarHBondContact N-OH 3.25Å; N292-Y307 VanDerWaalsContact O-CE2 3.25Å; N292-Y307 WeakPolarHBondContact O-CE2 3.21Å; N292-Y307 PolarHBondContact O-OH 2.86Å; Y305-Y307 AromaticContact CD1-CD2 3.99Å; Y305-Y307 HydrophobicContact CD1-CD2 3.99Å; Y305-Y307 AromaticContact CD1-CE2 3.65Å; Y305-Y307 HydrophobicContact CD1-CE2 3.65Å; Y305-Y307 HydrophobicContact CE1-CD1 4.1Å; Y305-Y307 AromaticContact CE1-CD2 3.85Å; Y305-Y307 HydrophobicContact CE1-CD2 3.85Å; Y305-Y307 AromaticContact CE1-CE1 3.75Å; Y305-Y307 HydrophobicContact CE1-CE1 3.75Å; Y305-Y307 AromaticContact CE1-CE2 3.49Å; Y305-Y307 HydrophobicContact CE1-CE2 3.49Å; Y305-Y307 VanDerWaalsContact CE1-CE2 3.49Å; Y305-Y307 HydrophobicContact CE1-CG 4.13Å; Y305-Y307 AromaticContact CE1-CZ 3.42Å; Y305-Y307 VanDerWaalsContact CE1-CZ 3.42Å; Y307-P326 CarbonylContact O-C 3.56Å; Y307-P326 WeakPolarHBondContact O-CA 3.46Å; Y307-V327 PolarHBondContact N-O 3.32Å; Y307-V327 PolarHBondContact O-N 3.44Å; Y307-I329 HydrophobicContact CD2-CD1 3.94Å; Y307-I329 HydrophobicContact CD2-CG1 3.99Å; Y307-I329 HydrophobicContact CE2-CD1 3.56Å; Y307-I329 HydrophobicContact CE2-CG1 3.91Å
308	S	98.8	Very high	93.7	Very high	42 Å²	42	49.8 Å²	49.8	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.4	171.3	-64.7	0	0	0	0	110	L268 L269 E310	L268-S308 WeakPolarHBondContact CA-O 3.34Å; L269-S308 PolarHBondContact N-O 3.42Å; L269-S308 PolarHBondContact O-N 3.15Å; S308-E310 PolarHBondContact O-N 2.94Å
309	L	98.8	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	103.4	171.8	-172.4	83.5	0	0	0	108.7	I237 V239 V266 R267 L268 L286 T324 L325 V327	I237-L309 HydrophobicContact CG2-CD2 4.05Å; V239-L309 HydrophobicContact CG2-CD2 3.72Å; V266-L309 HydrophobicContact CG1-CD1 3.49Å; V266-L309 VanDerWaalsContact CG1-CD1 3.49Å; V266-L309 HydrophobicContact CG1-CD2 4.41Å; V266-L309 HydrophobicContact CG1-CG 3.93Å; R267-L309 CarbonylContact O-C 3.57Å; R267-L309 WeakPolarHBondContact O-CA 3.45Å; L268-L309 HydrophobicContact CD1-CB 4.1Å; L268-L309 HydrophobicContact CD1-CD1 3.99Å; L286-L309 HydrophobicContact CD1-CD1 3.47Å; L286-L309 VanDerWaalsContact CD1-CD1 3.47Å; L309-T324 WeakPolarHBondContact O-CA 3.37Å; L309-L325 HydrophobicContact CB-CB 4.43Å; L309-L325 PolarHBondContact N-O 2.8Å; L309-L325 PolarHBondContact O-N 2.96Å; L309-V327 HydrophobicContact CB-CG2 3.79Å
310	E	98.6	Very high	92.4	Very high	75 Å²	75	50.2 Å²	50.2	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113	174	-69.2	-171.7	161.6	0	0	110	V266 R267 L269 S308 T324	V266-E310 WeakPolarHBondContact CA-O 3.26Å; R267-E310 HydrophobicContact CB-CB 4.48Å; R267-E310 PolarHBondContact N-O 2.87Å; R267-E310 PolarHBondContact O-N 3.05Å; L269-E310 HydrophobicContact CD1-CB 4.11Å; L269-E310 HydrophobicContact CD1-CG 3.73Å; S308-E310 PolarHBondContact O-N 2.94Å; E310-T324 HydrophobicContact CG-CG2 3.9Å
311	A	98.3	Very high	92.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122	170.9	0	0	0	0	0	109.5	I234 I237 I254 F322 Y323	I234-A311 HydrophobicContact CD1-CB 3.79Å; I237-A311 HydrophobicContact CD1-CB 4.2Å; I254-A311 HydrophobicContact CD1-CB 3.82Å; A311-F322 WeakPolarHBondContact O-CA 3.31Å; A311-Y323 PolarHBondContact N-O 2.94Å; A311-Y323 PolarHBondContact O-N 3.04Å
312	R	97.8	Very high	92.7	Very high	96 Å²	96	43.2 Å²	43.2	36%	0.362	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.9	174.8	179.2	-176	-176.7	-169.8	0.6	109.5	L264 E265 T314 D321 F322	L264-R312 WeakPolarHBondContact CA-O 3.48Å; E265-R312 HydrophobicContact CB-CB 4.42Å; E265-R312 PolarHBondContact N-O 2.93Å; E265-R312 PolarHBondContact O-N 2.84Å; E265-R312 IonicContact OE2-NH1 3.9Å; R312-T314 HydrophobicContact CG-CG2 4.37Å; R312-D321 WeakPolarHBondContact CA-O 3.36Å; R312-F322 HydrophobicContact CB-CD1 4.06Å; R312-F322 HydrophobicContact CB-CE1 3.95Å; R312-F322 VanDerWaalsContact CD-CE1 3.47Å; R312-F322 HydrophobicContact CG-CD1 3.96Å; R312-F322 HydrophobicContact CG-CE1 3.45Å; R312-F322 VanDerWaalsContact CG-CE1 3.45Å; R312-F322 HydrophobicContact CG-CE2 4.45Å; R312-F322 HydrophobicContact CG-CZ 3.74Å
313	M	96.6	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.6	173.1	-173.1	-80.4	-62.3	0	0	109.6	T232 I234 V256 F262 Q263 L264 T315 S320 D321	T232-M313 HydrophobicContact CG2-CE 3.65Å; T232-M313 HydrophobicContact CG2-SD 3.95Å; T232-M313 WeakPolarHBondContact O-CE 3.28Å; I234-M313 HydrophobicContact CD1-CB 4.17Å; I234-M313 HydrophobicContact CG1-CB 4.05Å; V256-M313 HydrophobicContact CG1-CG 4.34Å; V256-M313 HydrophobicContact CG2-CG 4.3Å; F262-M313 HydrophobicContact CB-CG 4.05Å; F262-M313 HydrophobicContact CB-SD 3.86Å; F262-M313 HydrophobicContact CD2-CG 4.27Å; F262-M313 HydrophobicContact CG-CG 4.37Å; Q263-M313 CarbonylContact O-C 3.49Å; Q263-M313 WeakPolarHBondContact O-CA 3.46Å; L264-M313 HydrophobicContact CD2-CB 3.65Å; L264-M313 HydrophobicContact CD2-CG 4.08Å; M313-T315 HydrophobicContact CE-CG2 4.48Å; M313-T315 HydrophobicContact SD-CG2 3.76Å; M313-S320 CarbonylContact O-C 3.5Å; M313-S320 WeakPolarHBondContact O-CA 3.42Å; M313-D321 HydrophobicContact CB-CB 4.34Å; M313-D321 HydrophobicContact CE-CB 3.64Å; M313-D321 PolarHBondContact N-O 2.92Å; M313-D321 PolarHBondContact O-N 2.92Å
314	T	94.8	Very high	93	Very high	34 Å²	34	37.4 Å²	37.4	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.3	172.9	55.7	0	0	0	0	110.6	F262 Q263 R312	F262-T314 CarbonylContact C-O 3.57Å; F262-T314 WeakPolarHBondContact CA-O 3.26Å; Q263-T314 PolarHBondContact N-O 2.78Å; Q263-T314 PolarHBondContact O-N 2.54Å; R312-T314 HydrophobicContact CG-CG2 4.37Å
315	T	90.6	Very high	93.1	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.135	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	173.4	170	65	0	0	0	0	110.4	T232 F262 M313 G317 V319	T232-T315 HydrophobicContact CG2-CG2 4.01Å; F262-T315 HydrophobicContact CB-CG2 4.48Å; M313-T315 HydrophobicContact CE-CG2 4.48Å; M313-T315 HydrophobicContact SD-CG2 3.76Å; T315-G317 PolarHBondContact O-N 3.18Å; T315-G317 VanDerWaalsContact O-O 3.1Å; T315-G317 PolarHBondContact OG1-N 2.91Å; T315-V319 PolarHBondContact N-O 2.94Å; T315-V319 VanDerWaalsContact N-O 3.1Å; T315-V319 PolarHBondContact OG1-O 3.5Å
316	A	78.3	Confident	93.1	Very high	113 Å²	113	38.4 Å²	38.4	93%	0.934	24%	0.238	S	C	*	.	S	Bend	trans	-65.6	-16.4	173.7	0	0	0	0	0	113.5
317	G	72.1	Confident	93.1	Very high	44 Å²	44	37.5 Å²	37.5	45%	0.454	23%	0.234	S	C	.	.	S	Bend	trans	-89.9	-170	171.6	0	0	0	0	0	112.6	T315 V319	T315-G317 PolarHBondContact O-N 3.18Å; T315-G317 VanDerWaalsContact O-O 3.1Å; T315-G317 PolarHBondContact OG1-N 2.91Å; G317-V319 PolarHBondContact O-N 3.28Å
318	P	72.4	Confident	93.1	Very high	127 Å²	127	37.5 Å²	37.5	83%	0.825	24%	0.235	S	C	*	.	S	Bend	trans	-73.1	-4.3	-179.2	31.2	-35.7	0	0	0	114	S320	P318-S320 PolarHBondContact O-N 3.48Å
319	V	77.2	Confident	93.1	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.139	22%	0.221	C	C	.	.			trans	-75.9	119.3	-174.3	176.5	0	0	0	0	110.6	P230 T315 G317	P230-V319 HydrophobicContact CB-CG1 3.31Å; P230-V319 HydrophobicContact CG-CG1 4Å; T315-V319 PolarHBondContact N-O 2.94Å; T315-V319 VanDerWaalsContact N-O 3.1Å; T315-V319 PolarHBondContact OG1-O 3.5Å; G317-V319 PolarHBondContact O-N 3.28Å
320	S	91.4	Very high	93.1	Very high	38 Å²	38	36 Å²	36	27%	0.266	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	168	-57.2	0	0	0	0	109.6	S42 M313 P318	S42-S320 WeakPolarHBondContact CB-O 3.44Å; M313-S320 CarbonylContact O-C 3.5Å; M313-S320 WeakPolarHBondContact O-CA 3.42Å; P318-S320 PolarHBondContact O-N 3.48Å
321	D	97.8	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.3	173.1	-169	28.8	0	0	0	110.8	S42 R43 P230 Y233 I234 R312 M313	S42-D321 WeakPolarHBondContact OG-CA 3.16Å; S42-D321 PolarHBondContact OG-OD1 2.79Å; R43-D321 IonicContact CZ-OD1 3.97Å; R43-D321 IonicContact CZ-OD2 3.94Å; R43-D321 IonicContact NE-OD1 2.73Å; R43-D321 PolarHBondContact NE-OD1 2.92Å; R43-D321 IonicContact NE-OD2 3.39Å; R43-D321 IonicContact NH2-OD1 3.13Å; R43-D321 IonicContact NH2-OD2 2.78Å; R43-D321 PolarHBondContact NH2-OD2 3.23Å; P230-D321 HydrophobicContact CG-CB 4.1Å; Y233-D321 WeakPolarHBondContact CA-OD2 3.45Å; I234-D321 PolarHBondContact N-OD2 2.83Å; R312-D321 WeakPolarHBondContact CA-O 3.36Å; M313-D321 HydrophobicContact CB-CB 4.34Å; M313-D321 HydrophobicContact CE-CB 3.64Å; M313-D321 PolarHBondContact N-O 2.92Å; M313-D321 PolarHBondContact O-N 2.92Å
322	F	97.9	Very high	93.1	Very high	59 Å²	59	35 Å²	35	26%	0.259	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.5	-176.1	-68	-96.7	0	0	0	109.7	S40 P41 S42 A311 R312	S40-F322 WeakPolarHBondContact CB-O 3.47Å; S40-F322 PolarHBondContact OG-O 3.4Å; P41-F322 HydrophobicContact CB-CD2 4.14Å; P41-F322 HydrophobicContact CB-CE2 4.44Å; P41-F322 HydrophobicContact CG-CD2 4.48Å; P41-F322 HydrophobicContact CG-CG 4.47Å; S42-F322 PolarHBondContact OG-N 3.13Å; A311-F322 WeakPolarHBondContact O-CA 3.31Å; R312-F322 HydrophobicContact CB-CD1 4.06Å; R312-F322 HydrophobicContact CB-CE1 3.95Å; R312-F322 VanDerWaalsContact CD-CE1 3.47Å; R312-F322 HydrophobicContact CG-CD1 3.96Å; R312-F322 HydrophobicContact CG-CE1 3.45Å; R312-F322 VanDerWaalsContact CG-CE1 3.45Å; R312-F322 HydrophobicContact CG-CE2 4.45Å; R312-F322 HydrophobicContact CG-CZ 3.74Å
323	Y	98.7	Very high	93.1	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132.9	171.4	-167.8	-86.2	0	0	0	110.5	L35 F36 R38 I237 A311 L325	L35-Y323 HydrophobicContact CB-CE2 4.06Å; L35-Y323 HydrophobicContact CD1-CD1 4.34Å; L35-Y323 HydrophobicContact CD1-CD2 4.43Å; L35-Y323 HydrophobicContact CD1-CE1 4.18Å; L35-Y323 HydrophobicContact CD1-CE2 4.27Å; L35-Y323 HydrophobicContact CD1-CG 4.44Å; L35-Y323 HydrophobicContact CD2-CE1 4.23Å; F36-Y323 WeakPolarHBondContact O-CE2 3.43Å; F36-Y323 PolarHBondContact O-OH 3.23Å; R38-Y323 HydrophobicContact CB-CE2 4.38Å; R38-Y323 HydrophobicContact CG-CE2 4.39Å; I237-Y323 HydrophobicContact CD1-CD1 3.53Å; I237-Y323 HydrophobicContact CD1-CE1 4.18Å; I237-Y323 HydrophobicContact CD1-CG 4.3Å; A311-Y323 PolarHBondContact N-O 2.94Å; A311-Y323 PolarHBondContact O-N 3.04Å; Y323-L325 HydrophobicContact CD1-CB 4.41Å; Y323-L325 HydrophobicContact CE1-CB 4.12Å; Y323-L325 HydrophobicContact CE1-CD1 4.36Å
324	T	98.6	Very high	93.2	Very high	49 Å²	49	34.9 Å²	34.9	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.4	178.2	-52	0	0	0	0	109.8	L309 E310	L309-T324 WeakPolarHBondContact O-CA 3.37Å; E310-T324 HydrophobicContact CG-CG2 3.9Å
325	L	98.8	Very high	93.4	Very high	14 Å²	14	36 Å²	36	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	179.3	-178.5	68.3	0	0	0	110.3	I237 V239 L309 Y323 N442	I237-L325 HydrophobicContact CB-CD2 4.19Å; I237-L325 HydrophobicContact CG2-CD2 3.68Å; V239-L325 HydrophobicContact CG2-CD2 3.77Å; L309-L325 HydrophobicContact CB-CB 4.43Å; L309-L325 PolarHBondContact N-O 2.8Å; L309-L325 PolarHBondContact O-N 2.96Å; Y323-L325 HydrophobicContact CD1-CB 4.41Å; Y323-L325 HydrophobicContact CE1-CB 4.12Å; Y323-L325 HydrophobicContact CE1-CD1 4.36Å; L325-N442 HydrophobicContact CD1-CB 4.28Å; L325-N442 HydrophobicContact CD2-CB 4.07Å
326	P	98.8	Very high	93.7	Very high	35 Å²	35	41.5 Å²	41.5	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.8	170.5	-21.8	33.9	0	0	0	111.6	L306 Y307	L306-P326 HydrophobicContact CD1-CB 4.38Å; L306-P326 HydrophobicContact CD2-CB 4.46Å; Y307-P326 CarbonylContact O-C 3.56Å; Y307-P326 WeakPolarHBondContact O-CA 3.46Å
327	V	98.9	Very high	94.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.7	-178.7	177.5	0	0	0	0	110.3	V239 T241 V250 L268 Y307 L309	V239-V327 HydrophobicContact CG1-CG1 3.95Å; V239-V327 HydrophobicContact CG1-CG2 4.11Å; V239-V327 HydrophobicContact CG2-CG2 4.28Å; T241-V327 HydrophobicContact CG2-CG1 3.83Å; V250-V327 HydrophobicContact CG1-CG1 4.11Å; V250-V327 HydrophobicContact CG2-CG1 4.34Å; L268-V327 HydrophobicContact CD1-CB 4.4Å; Y307-V327 PolarHBondContact N-O 3.32Å; Y307-V327 PolarHBondContact O-N 3.44Å; L309-V327 HydrophobicContact CB-CG2 3.79Å
328	G	98.8	Very high	95.9	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	23%	0.233	C	C	.	.			trans	-99.2	113.3	168.4	0	0	0	0	0	110.6	R330	G328-R330 PolarHBondContact O-N 2.9Å; G328-R330 VanDerWaalsContact O-N 3.15Å
329	I	98.9	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.			trans	-72.7	108.9	177.8	-57.5	178.6	0	0	0	108.8	T241 V243 V250 V288 A291 L293 W294 Y307	T241-I329 HydrophobicContact CG2-CG1 4.39Å; V243-I329 HydrophobicContact CG2-CG2 4.1Å; V250-I329 HydrophobicContact CG2-CD1 3.74Å; V250-I329 HydrophobicContact CG2-CG1 3.8Å; V288-I329 HydrophobicContact CB-CD1 4.36Å; V288-I329 HydrophobicContact CG2-CD1 4.14Å; A291-I329 HydrophobicContact CB-CD1 4.16Å; L293-I329 CarbonylContact C-O 3.59Å; L293-I329 WeakPolarHBondContact CA-O 3.15Å; L293-I329 HydrophobicContact CD2-CB 4.25Å; L293-I329 HydrophobicContact CD2-CG2 3.76Å; W294-I329 PolarHBondContact N-O 2.92Å; Y307-I329 HydrophobicContact CD2-CD1 3.94Å; Y307-I329 HydrophobicContact CD2-CG1 3.99Å; Y307-I329 HydrophobicContact CE2-CD1 3.56Å; Y307-I329 HydrophobicContact CE2-CG1 3.91Å
330	R	98.8	Very high	98.2	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.038	19%	0.194	C	C	.	.			trans	-156.2	153.6	177.7	63.9	95.8	-177.8	91.4	-3.2	113.1	T241 W294 G328 N342 H443 P444 V446 R480	T241-R330 PolarHBondContact OG1-N 2.74Å; T241-R330 PolarHBondContact OG1-O 2.89Å; W294-R330 HydrophobicContact CB-CB 4.21Å; W294-R330 HydrophobicContact CB-CG 4.37Å; W294-R330 HydrophobicContact CE3-CB 4.42Å; W294-R330 HydrophobicContact CE3-CG 4.11Å; G328-R330 PolarHBondContact O-N 2.9Å; G328-R330 VanDerWaalsContact O-N 3.15Å; R330-N342 WeakPolarHBondContact CA-OD1 3.33Å; R330-N342 VanDerWaalsContact CB-OD1 3.25Å; R330-N342 WeakPolarHBondContact CB-OD1 3.3Å; R330-H443 PolarHBondContact NH2-O 3.47Å; R330-P444 HydrophobicContact CG-CB 4.15Å; R330-P444 PolarHBondContact NE-O 3.03Å; R330-P444 PolarHBondContact NH2-O 2.65Å; R330-V446 PolarHBondContact NH2-O 2.9Å; R330-R480 VanDerWaalsContact NH2-CZ 3.32Å
331	T	98.8	Very high	98.6	Very high	35 Å²	35	32.8 Å²	32.8	22%	0.215	18%	0.182	C	C	.	.			trans	-110.1	148	171.3	59.4	0	0	0	0	111.5	N242 V243 I341 N342	N242-T331 WeakPolarHBondContact OD1-CG2 3.49Å; V243-T331 HydrophobicContact CG2-CG2 4.37Å; T331-I341 WeakPolarHBondContact O-CA 3.18Å; T331-N342 PolarHBondContact N-OD1 2.71Å; T331-N342 PolarHBondContact O-N 3.2Å; T331-N342 WeakPolarHBondContact OG1-CA 3.36Å
332	V	98.9	Very high	98.6	Very high	21 Å²	21	33.9 Å²	33.9	13%	0.127	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.6	170.8	179.9	0	0	0	0	108.3	F339 L340 V447 P481	V332-F339 HydrophobicContact CG1-CE1 3.7Å; V332-F339 HydrophobicContact CG1-CE2 4.38Å; V332-F339 HydrophobicContact CG1-CZ 3.48Å; V332-F339 VanDerWaalsContact CG1-CZ 3.48Å; V332-L340 WeakPolarHBondContact CA-O 3.03Å; V332-V447 HydrophobicContact CG1-CB 4.41Å; V332-V447 HydrophobicContact CG2-CB 3.98Å; V332-V447 HydrophobicContact CG2-CG1 3.97Å; V332-P481 HydrophobicContact CG1-CG 4.19Å
333	A	98.8	Very high	98.6	Very high	44 Å²	44	33.7 Å²	33.7	36%	0.364	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.1	175.1	0	0	0	0	0	111.2	L340	A333-L340 HydrophobicContact CB-CB 4.24Å; A333-L340 HydrophobicContact CB-CD1 4.42Å; A333-L340 PolarHBondContact N-O 3.02Å; A333-L340 PolarHBondContact O-N 3.36Å
334	V	98.8	Very high	98.5	Very high	49 Å²	49	37 Å²	37	30%	0.297	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.9	178.5	-179.8	0	0	0	0	108.6	F339 P481 V501 P538	V334-F339 HydrophobicContact CG2-CD2 3.95Å; V334-F339 HydrophobicContact CG2-CE2 4.07Å; V334-P481 HydrophobicContact CG2-CB 3.74Å; V334-P481 HydrophobicContact CG2-CG 3.76Å; V334-V501 HydrophobicContact CG1-CG2 3.98Å; V334-V501 HydrophobicContact CG2-CG2 3.91Å; V334-P538 HydrophobicContact CG1-CG 3.63Å
335	T	98.4	Very high	98.5	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.362	23%	0.228	S	C	.	.			trans	-106.6	-179.3	168.6	78.3	0	0	0	0	109.6	S337 K338 L340 P538	T335-S337 PolarHBondContact O-N 3.18Å; T335-S337 PolarHBondContact OG1-N 3.44Å; T335-K338 PolarHBondContact N-O 2.95Å; T335-K338 WeakPolarHBondContact OG1-CB 3.49Å; T335-K338 PolarHBondContact OG1-N 3.25Å; T335-L340 HydrophobicContact CG2-CD1 3.84Å; T335-L340 HydrophobicContact CG2-CG 4.37Å; T335-P538 VanDerWaalsContact O-CD 3.28Å; T335-P538 WeakPolarHBondContact O-CD 3.36Å
336	E	97.4	Very high	98.5	Very high	137 Å²	137	38.4 Å²	38.4	64%	0.64	23%	0.227	S	C	*	.	S	Bend	trans	-57.3	-21.5	175.2	-63.3	-175	172.7	0	0	114	Y532 K537 P538	E336-Y532 WeakPolarHBondContact O-CE2 3.42Å; E336-K537 CarbonylContact O-C 3.28Å; E336-K537 VanDerWaalsContact O-C 3.28Å; E336-K537 WeakPolarHBondContact O-CA 3.35Å; E336-P538 WeakPolarHBondContact O-CD 3.48Å
337	S	97.9	Very high	98.5	Very high	32 Å²	32	38 Å²	38	22%	0.224	22%	0.221	C	C	.	.	S	Bend	trans	-138.7	-3.5	-174.5	62.3	0	0	0	0	115.7	T335 Y583 V585	T335-S337 PolarHBondContact O-N 3.18Å; T335-S337 PolarHBondContact OG1-N 3.44Å; S337-Y583 WeakPolarHBondContact O-CA 3.21Å; S337-V585 WeakPolarHBondContact O-CG1 3.09Å
338	K	98.6	Very high	98.5	Very high	100 Å²	100	37.8 Å²	37.8	44%	0.435	22%	0.219	S	C	.	.			trans	-134.2	145	-174.7	-61.2	178.9	178.6	178.8	0	111.8	T335 L340 P345	T335-K338 PolarHBondContact N-O 2.95Å; T335-K338 WeakPolarHBondContact OG1-CB 3.49Å; T335-K338 PolarHBondContact OG1-N 3.25Å; K338-L340 HydrophobicContact CB-CD2 3.95Å; K338-L340 HydrophobicContact CD-CD2 4.45Å; K338-P345 HydrophobicContact CD-CB 4.48Å; K338-P345 HydrophobicContact CD-CG 4.13Å
339	F	98.8	Very high	98.5	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.3	161.3	-161.4	-81.1	0	0	0	107.7	V332 V334 I341 P345 F346 F348 V447 M448 P481 V501 V585	V332-F339 HydrophobicContact CG1-CE1 3.7Å; V332-F339 HydrophobicContact CG1-CE2 4.38Å; V332-F339 HydrophobicContact CG1-CZ 3.48Å; V332-F339 VanDerWaalsContact CG1-CZ 3.48Å; V334-F339 HydrophobicContact CG2-CD2 3.95Å; V334-F339 HydrophobicContact CG2-CE2 4.07Å; F339-I341 HydrophobicContact CD1-CG1 4.19Å; F339-I341 HydrophobicContact CE1-CD1 4.25Å; F339-I341 HydrophobicContact CE1-CG1 3.92Å; F339-P345 CarbonylContact O-C 3.52Å; F339-P345 WeakPolarHBondContact O-CA 3.27Å; F339-F346 HydrophobicContact CD1-CB 4.21Å; F339-F346 HydrophobicContact CD1-CD1 4.08Å; F339-F346 PolarHBondContact O-N 3.32Å; F339-F348 HydrophobicContact CB-CE2 4.24Å; F339-F348 AromaticContact CD1-CE2 3.93Å; F339-F348 HydrophobicContact CD1-CE2 3.93Å; F339-F348 HydrophobicContact CD1-CZ 4.13Å; F339-F348 AromaticContact CD2-CE2 3.84Å; F339-F348 HydrophobicContact CD2-CE2 3.84Å; F339-F348 HydrophobicContact CD2-CZ 4.16Å; F339-F348 HydrophobicContact CE1-CE2 4.21Å; F339-F348 AromaticContact CE1-CZ 3.93Å; F339-F348 HydrophobicContact CE1-CZ 3.93Å; F339-F348 HydrophobicContact CE2-CE2 4.12Å; F339-F348 AromaticContact CE2-CZ 3.96Å; F339-F348 HydrophobicContact CE2-CZ 3.96Å; F339-F348 AromaticContact CG-CE2 3.73Å; F339-F348 HydrophobicContact CG-CE2 3.73Å; F339-F348 HydrophobicContact CG-CZ 4.24Å; F339-F348 HydrophobicContact CZ-CE2 4.31Å; F339-F348 AromaticContact CZ-CZ 3.85Å; F339-F348 HydrophobicContact CZ-CZ 3.85Å; F339-V447 HydrophobicContact CE1-CB 4.16Å; F339-V447 HydrophobicContact CE1-CG2 4.02Å; F339-V447 HydrophobicContact CZ-CB 3.9Å; F339-V447 HydrophobicContact CZ-CG2 3.67Å; F339-M448 HydrophobicContact CE2-SD 4.26Å; F339-P481 HydrophobicContact CE2-CG 3.74Å; F339-P481 HydrophobicContact CZ-CG 4.11Å; F339-V501 HydrophobicContact CD2-CG2 4.14Å; F339-V501 HydrophobicContact CE2-CG2 4.38Å; F339-V585 HydrophobicContact CB-CB 4.08Å; F339-V585 HydrophobicContact CB-CG1 4.37Å; F339-V585 HydrophobicContact CB-CG2 4.16Å
340	L	98.9	Very high	98.5	Very high	29 Å²	29	37.8 Å²	37.8	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.6	-175.7	-54.3	179.3	0	0	0	110	V332 A333 T335 K338 K344 P345	V332-L340 WeakPolarHBondContact CA-O 3.03Å; A333-L340 HydrophobicContact CB-CB 4.24Å; A333-L340 HydrophobicContact CB-CD1 4.42Å; A333-L340 PolarHBondContact N-O 3.02Å; A333-L340 PolarHBondContact O-N 3.36Å; T335-L340 HydrophobicContact CG2-CD1 3.84Å; T335-L340 HydrophobicContact CG2-CG 4.37Å; K338-L340 HydrophobicContact CB-CD2 3.95Å; K338-L340 HydrophobicContact CD-CD2 4.45Å; L340-K344 VanDerWaalsContact CA-O 3.28Å; L340-K344 WeakPolarHBondContact CA-O 3.38Å; L340-P345 HydrophobicContact CD2-CB 4.4Å; L340-P345 HydrophobicContact CD2-CG 4.15Å
341	I	98.8	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.7	165.8	-62.6	178.8	0	0	0	107.1	P296 T331 F339 G343 K344 F346 V405 V447	P296-I341 HydrophobicContact CG-CD1 3.67Å; P296-I341 HydrophobicContact CG-CG2 4.2Å; T331-I341 WeakPolarHBondContact O-CA 3.18Å; F339-I341 HydrophobicContact CD1-CG1 4.19Å; F339-I341 HydrophobicContact CE1-CD1 4.25Å; F339-I341 HydrophobicContact CE1-CG1 3.92Å; I341-G343 PolarHBondContact O-N 3.13Å; I341-K344 PolarHBondContact N-O 2.72Å; I341-K344 PolarHBondContact O-N 3.34Å; I341-F346 HydrophobicContact CB-CB 4.43Å; I341-F346 HydrophobicContact CD1-CB 4.09Å; I341-F346 HydrophobicContact CD1-CD1 3.86Å; I341-F346 HydrophobicContact CD1-CD2 3.86Å; I341-F346 HydrophobicContact CD1-CE1 4.23Å; I341-F346 HydrophobicContact CD1-CE2 4.24Å; I341-F346 HydrophobicContact CD1-CG 3.65Å; I341-F346 HydrophobicContact CD1-CZ 4.41Å; I341-F346 HydrophobicContact CG1-CB 4.03Å; I341-F346 HydrophobicContact CG1-CG 4.17Å; I341-V405 HydrophobicContact CD1-CG2 4Å; I341-V447 HydrophobicContact CD1-CG1 4.12Å
342	N	98.3	Very high	98.5	Very high	22 Å²	22	35.7 Å²	35.7	12%	0.118	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.8	-175.3	-57.3	-28.5	0	0	0	112.5	L293 W294 W295 R330 T331 K344	L293-N342 HydrophobicContact CD1-CB 4.1Å; W294-N342 PolarHBondContact O-ND2 3.11Å; W295-N342 HydrophobicContact CE3-CB 4.38Å; W295-N342 HydrophobicContact CH2-CB 3.37Å; W295-N342 HydrophobicContact CZ2-CB 3.84Å; W295-N342 HydrophobicContact CZ3-CB 3.68Å; R330-N342 WeakPolarHBondContact CA-OD1 3.33Å; R330-N342 VanDerWaalsContact CB-OD1 3.25Å; R330-N342 WeakPolarHBondContact CB-OD1 3.3Å; T331-N342 PolarHBondContact N-OD1 2.71Å; T331-N342 PolarHBondContact O-N 3.2Å; T331-N342 WeakPolarHBondContact OG1-CA 3.36Å; N342-K344 PolarHBondContact O-N 3.43Å; N342-K344 VanDerWaalsContact O-N 3.15Å
343	G	97.6	Very high	98.5	Very high	56 Å²	56	35.2 Å²	35.2	58%	0.577	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	-1.3	-177.4	0	0	0	0	0	115.6	I341	I341-G343 PolarHBondContact O-N 3.13Å
344	K	97.8	Very high	98.5	Very high	76 Å²	76	33.6 Å²	33.6	33%	0.33	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140.4	179.6	-66	-165	-175.6	-170.2	0	111.7	W295 M299 L340 I341 N342 F346 H640	W295-K344 HydrophobicContact CH2-CB 4.43Å; W295-K344 HydrophobicContact CH2-CD 3.66Å; W295-K344 HydrophobicContact CH2-CG 3.97Å; W295-K344 HydrophobicContact CZ3-CB 4.28Å; W295-K344 HydrophobicContact CZ3-CD 3.99Å; W295-K344 HydrophobicContact CZ3-CG 4.28Å; M299-K344 HydrophobicContact CE-CB 3.55Å; L340-K344 VanDerWaalsContact CA-O 3.28Å; L340-K344 WeakPolarHBondContact CA-O 3.38Å; I341-K344 PolarHBondContact N-O 2.72Å; I341-K344 PolarHBondContact O-N 3.34Å; N342-K344 PolarHBondContact O-N 3.43Å; N342-K344 VanDerWaalsContact O-N 3.15Å; K344-F346 PolarHBondContact O-N 3.46Å; K344-H640 PolarHBondContact NZ-CD2 2.95Å; K344-H640 VanDerWaalsContact NZ-CD2 3.3Å; K344-H640 PolarHBondContact NZ-NE2 3.04Å
345	P	98.3	Very high	98.5	Very high	82 Å²	82	32.3 Å²	32.3	53%	0.532	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	127.3	174.8	-23.2	33.9	0	0	0	111.9	K338 F339 L340	K338-P345 HydrophobicContact CD-CB 4.48Å; K338-P345 HydrophobicContact CD-CG 4.13Å; F339-P345 CarbonylContact O-C 3.52Å; F339-P345 WeakPolarHBondContact O-CA 3.27Å; L340-P345 HydrophobicContact CD2-CB 4.4Å; L340-P345 HydrophobicContact CD2-CG 4.15Å
346	F	98.6	Very high	98.5	Very high	10 Å²	10	30 Å²	30	4%	0.044	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.2	176.2	180	-104.3	0	0	0	109.6	P296 M299 F339 I341 K344 F348 N382 V405	P296-F346 HydrophobicContact CB-CD2 4.43Å; P296-F346 HydrophobicContact CB-CE2 3.74Å; P296-F346 HydrophobicContact CB-CZ 4.49Å; P296-F346 HydrophobicContact CG-CD2 4.08Å; P296-F346 HydrophobicContact CG-CE2 3.8Å; M299-F346 HydrophobicContact SD-CD2 3.89Å; F339-F346 HydrophobicContact CD1-CB 4.21Å; F339-F346 HydrophobicContact CD1-CD1 4.08Å; F339-F346 PolarHBondContact O-N 3.32Å; I341-F346 HydrophobicContact CB-CB 4.43Å; I341-F346 HydrophobicContact CD1-CB 4.09Å; I341-F346 HydrophobicContact CD1-CD1 3.86Å; I341-F346 HydrophobicContact CD1-CD2 3.86Å; I341-F346 HydrophobicContact CD1-CE1 4.23Å; I341-F346 HydrophobicContact CD1-CE2 4.24Å; I341-F346 HydrophobicContact CD1-CG 3.65Å; I341-F346 HydrophobicContact CD1-CZ 4.41Å; I341-F346 HydrophobicContact CG1-CB 4.03Å; I341-F346 HydrophobicContact CG1-CG 4.17Å; K344-F346 PolarHBondContact O-N 3.46Å; F346-F348 HydrophobicContact CD1-CD1 4.48Å; F346-F348 AromaticContact CD1-CD2 3.83Å; F346-F348 HydrophobicContact CD1-CD2 3.83Å; F346-F348 HydrophobicContact CD1-CE1 4.38Å; F346-F348 AromaticContact CD1-CE2 3.71Å; F346-F348 HydrophobicContact CD1-CE2 3.71Å; F346-F348 HydrophobicContact CD1-CG 4.2Å; F346-F348 AromaticContact CD1-CZ 3.99Å; F346-F348 HydrophobicContact CD1-CZ 3.99Å; F346-F348 HydrophobicContact CE1-CB 4.34Å; F346-F348 AromaticContact CE1-CD1 3.63Å; F346-F348 HydrophobicContact CE1-CD1 3.63Å; F346-F348 AromaticContact CE1-CD2 3.73Å; F346-F348 HydrophobicContact CE1-CD2 3.73Å; F346-F348 AromaticContact CE1-CE1 3.73Å; F346-F348 HydrophobicContact CE1-CE1 3.73Å; F346-F348 AromaticContact CE1-CE2 3.82Å; F346-F348 HydrophobicContact CE1-CE2 3.82Å; F346-F348 AromaticContact CE1-CG 3.61Å; F346-F348 HydrophobicContact CE1-CG 3.61Å; F346-F348 AromaticContact CE1-CZ 3.81Å; F346-F348 HydrophobicContact CE1-CZ 3.81Å; F346-N382 VanDerWaalsContact CE2-ND2 3.26Å; F346-N382 WeakPolarHBondContact CE2-ND2 3.03Å; F346-N382 VanDerWaalsContact CZ-ND2 3.34Å; F346-N382 WeakPolarHBondContact CZ-ND2 3.46Å; F346-V405 HydrophobicContact CE1-CB 4.29Å; F346-V405 HydrophobicContact CE1-CG1 4.04Å; F346-V405 HydrophobicContact CE1-CG2 4.35Å; F346-V405 HydrophobicContact CE2-CG2 4.26Å; F346-V405 HydrophobicContact CZ-CB 3.95Å; F346-V405 HydrophobicContact CZ-CG1 4.2Å; F346-V405 HydrophobicContact CZ-CG2 3.8Å
347	Y	98.8	Very high	98.6	Very high	26 Å²	26	23.8 Å²	23.8	10%	0.102	14%	0.136	C	C	.	.			trans	-121.3	120.5	174.3	-172.8	-97.3	0	0	0	108.9	H349 N382 R580 M584 V585 E587 I632	Y347-H349 HydrophobicContact CD1-CB 4.14Å; Y347-H349 HydrophobicContact CE1-CB 4.26Å; Y347-H349 PolarHBondContact O-CD2 2.9Å; Y347-H349 PolarHBondContact O-N 2.99Å; Y347-N382 PolarHBondContact O-ND2 2.86Å; Y347-R580 HydrophobicContact CD2-CB 4.19Å; Y347-R580 HydrophobicContact CE2-CB 3.5Å; Y347-R580 VanDerWaalsContact CE2-CB 3.5Å; Y347-M584 HydrophobicContact CE2-CG 4.38Å; Y347-M584 VanDerWaalsContact CE2-O 3.3Å; Y347-M584 WeakPolarHBondContact CE2-O 3.3Å; Y347-V585 CarbonylContact C-O 3.6Å; Y347-V585 VanDerWaalsContact CA-O 3.27Å; Y347-V585 WeakPolarHBondContact CA-O 3.15Å; Y347-V585 WeakPolarHBondContact CD2-O 3.5Å; Y347-E587 HydrophobicContact CE1-CG 3.84Å; Y347-E587 PolarHBondContact OH-OE1 2.82Å; Y347-E587 VanDerWaalsContact OH-OE1 3.06Å; Y347-I632 HydrophobicContact CD1-CG2 4.05Å; Y347-I632 HydrophobicContact CE1-CD1 4.3Å
348	F	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	115	174.6	-60	-106.6	0	0	0	108.2	F339 F346 S383 V405 I407 V447 I540 V585 G586 E587 L588	F339-F348 HydrophobicContact CB-CE2 4.24Å; F339-F348 AromaticContact CD1-CE2 3.93Å; F339-F348 HydrophobicContact CD1-CE2 3.93Å; F339-F348 HydrophobicContact CD1-CZ 4.13Å; F339-F348 AromaticContact CD2-CE2 3.84Å; F339-F348 HydrophobicContact CD2-CE2 3.84Å; F339-F348 HydrophobicContact CD2-CZ 4.16Å; F339-F348 HydrophobicContact CE1-CE2 4.21Å; F339-F348 AromaticContact CE1-CZ 3.93Å; F339-F348 HydrophobicContact CE1-CZ 3.93Å; F339-F348 HydrophobicContact CE2-CE2 4.12Å; F339-F348 AromaticContact CE2-CZ 3.96Å; F339-F348 HydrophobicContact CE2-CZ 3.96Å; F339-F348 AromaticContact CG-CE2 3.73Å; F339-F348 HydrophobicContact CG-CE2 3.73Å; F339-F348 HydrophobicContact CG-CZ 4.24Å; F339-F348 HydrophobicContact CZ-CE2 4.31Å; F339-F348 AromaticContact CZ-CZ 3.85Å; F339-F348 HydrophobicContact CZ-CZ 3.85Å; F346-F348 HydrophobicContact CD1-CD1 4.48Å; F346-F348 AromaticContact CD1-CD2 3.83Å; F346-F348 HydrophobicContact CD1-CD2 3.83Å; F346-F348 HydrophobicContact CD1-CE1 4.38Å; F346-F348 AromaticContact CD1-CE2 3.71Å; F346-F348 HydrophobicContact CD1-CE2 3.71Å; F346-F348 HydrophobicContact CD1-CG 4.2Å; F346-F348 AromaticContact CD1-CZ 3.99Å; F346-F348 HydrophobicContact CD1-CZ 3.99Å; F346-F348 HydrophobicContact CE1-CB 4.34Å; F346-F348 AromaticContact CE1-CD1 3.63Å; F346-F348 HydrophobicContact CE1-CD1 3.63Å; F346-F348 AromaticContact CE1-CD2 3.73Å; F346-F348 HydrophobicContact CE1-CD2 3.73Å; F346-F348 AromaticContact CE1-CE1 3.73Å; F346-F348 HydrophobicContact CE1-CE1 3.73Å; F346-F348 AromaticContact CE1-CE2 3.82Å; F346-F348 HydrophobicContact CE1-CE2 3.82Å; F346-F348 AromaticContact CE1-CG 3.61Å; F346-F348 HydrophobicContact CE1-CG 3.61Å; F346-F348 AromaticContact CE1-CZ 3.81Å; F346-F348 HydrophobicContact CE1-CZ 3.81Å; F348-S383 WeakPolarHBondContact CB-OG 3.12Å; F348-V405 HydrophobicContact CD1-CG1 4.26Å; F348-V405 HydrophobicContact CE1-CG1 3.6Å; F348-V405 HydrophobicContact CZ-CG1 4.31Å; F348-I407 HydrophobicContact CD1-CD1 4.36Å; F348-I407 HydrophobicContact CD1-CG1 4.44Å; F348-I407 HydrophobicContact CE1-CD1 4.19Å; F348-I407 HydrophobicContact CE1-CG1 3.93Å; F348-V447 HydrophobicContact CE1-CG2 3.89Å; F348-V447 HydrophobicContact CZ-CG2 3.8Å; F348-I540 HydrophobicContact CD2-CD1 3.78Å; F348-I540 HydrophobicContact CD2-CG1 4.48Å; F348-I540 HydrophobicContact CE2-CD1 3.83Å; F348-I540 HydrophobicContact CG-CD1 4.34Å; F348-I540 HydrophobicContact CZ-CD1 4.4Å; F348-V585 WeakPolarHBondContact CD2-O 3.43Å; F348-V585 PolarHBondContact N-O 2.97Å; F348-G586 CarbonylContact O-C 3.52Å; F348-G586 WeakPolarHBondContact O-CA 3.2Å; F348-E587 PolarHBondContact O-N 2.85Å; F348-L588 HydrophobicContact CB-CD2 4.32Å
349	H	98.6	Very high	98.6	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	92.2	169.4	50.7	75.6	0	0	0	106.8	Y347 G380 A381 N382 Y629	Y347-H349 HydrophobicContact CD1-CB 4.14Å; Y347-H349 HydrophobicContact CE1-CB 4.26Å; Y347-H349 PolarHBondContact O-CD2 2.9Å; Y347-H349 PolarHBondContact O-N 2.99Å; H349-G380 PolarHBondContact CE1-O 3.31Å; H349-G380 VanDerWaalsContact CE1-O 3.23Å; H349-G380 PolarHBondContact ND1-O 3.34Å; H349-A381 VanDerWaalsContact O-CA 3.29Å; H349-A381 WeakPolarHBondContact O-CA 3.24Å; H349-N382 PolarHBondContact CD2-ND2 2.87Å; H349-N382 PolarHBondContact CE1-ND2 2.99Å; H349-N382 VanDerWaalsContact CE1-ND2 3.33Å; H349-N382 PolarHBondContact N-OD1 3.24Å; H349-N382 PolarHBondContact NE2-ND2 2.96Å; H349-N382 PolarHBondContact O-N 3.17Å; H349-N382 VanDerWaalsContact O-N 3.08Å; H349-N382 PolarHBondContact O-OD1 3.3Å; H349-Y629 HydrophobicContact CB-CD1 3.69Å; H349-Y629 HydrophobicContact CB-CD2 4.49Å; H349-Y629 HydrophobicContact CB-CE1 3.8Å; H349-Y629 HydrophobicContact CB-CG 4.05Å
350	G	98.8	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-167.1	-159.3	0	0	0	0	0	114.1	S383 E587 L588 I589 Y629	G350-S383 WeakPolarHBondContact CA-O 3.49Å; G350-E587 PolarHBondContact N-O 3.5Å; G350-L588 WeakPolarHBondContact O-CA 3.36Å; G350-I589 PolarHBondContact O-N 3.04Å; G350-I589 VanDerWaalsContact O-N 3.17Å; G350-Y629 PolarHBondContact N-OH 3.45Å; G350-Y629 PolarHBondContact O-OH 3.49Å
351	V	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	159.5	-173.7	-57.6	0	0	0	0	110.6	K353 L376 L379 S383 F384 R385 I589 F592 I611	V351-K353 HydrophobicContact CG2-CD 4.33Å; V351-K353 HydrophobicContact CG2-CG 3.85Å; V351-L376 HydrophobicContact CG2-CD2 3.54Å; V351-L379 HydrophobicContact CG1-CD2 3.67Å; V351-S383 PolarHBondContact N-O 2.98Å; V351-S383 VanDerWaalsContact N-O 3.17Å; V351-F384 HydrophobicContact CG2-CB 3.87Å; V351-F384 WeakPolarHBondContact O-CA 3.25Å; V351-F384 WeakPolarHBondContact O-CB 3.39Å; V351-R385 PolarHBondContact O-N 3.17Å; V351-I589 HydrophobicContact CB-CG2 4.02Å; V351-I589 HydrophobicContact CG1-CG2 3.63Å; V351-F592 HydrophobicContact CB-CB 4.12Å; V351-F592 HydrophobicContact CG1-CD2 4.44Å; V351-F592 HydrophobicContact CG2-CB 3.95Å; V351-F592 HydrophobicContact CG2-CD2 4.01Å; V351-F592 HydrophobicContact CG2-CG 4.4Å; V351-I611 HydrophobicContact CG1-CD1 4.27Å
352	N	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	151.7	155	-65.1	-82.5	0	0	0	108.9	R385 S387 S542 L588 I589 W590 N591 F592	N352-R385 PolarHBondContact OD1-NE 2.98Å; N352-R385 VanDerWaalsContact OD1-NE 3.16Å; N352-R385 PolarHBondContact OD1-NH2 2.83Å; N352-S387 PolarHBondContact OD1-OG 2.81Å; N352-S387 VanDerWaalsContact OD1-OG 3.09Å; N352-S542 PolarHBondContact ND2-O 2.65Å; N352-S542 PolarHBondContact OD1-O 2.87Å; N352-L588 PolarHBondContact ND2-O 2.89Å; N352-I589 PolarHBondContact N-O 2.87Å; N352-I589 PolarHBondContact ND2-O 3.01Å; N352-W590 HydrophobicContact CB-CD2 4.37Å; N352-W590 HydrophobicContact CB-CE3 3.35Å; N352-W590 HydrophobicContact CB-CZ3 3.65Å; N352-N591 WeakPolarHBondContact CB-ND2 3.47Å; N352-N591 VanDerWaalsContact O-CG 3.32Å; N352-N591 PolarHBondContact O-ND2 3.17Å; N352-N591 PolarHBondContact O-OD1 3.4Å; N352-F592 WeakPolarHBondContact O-CB 3.39Å; N352-F592 PolarHBondContact O-N 3.03Å
353	K	98.8	Very high	98.6	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.048	15%	0.154	C	C	.	.			trans	-125.7	-179.2	176.8	-70	-174.5	67.2	75.4	0	110.8	V351 D372 L376 F384 S387 Y391 N591 F592	V351-K353 HydrophobicContact CG2-CD 4.33Å; V351-K353 HydrophobicContact CG2-CG 3.85Å; K353-D372 VanDerWaalsContact NZ-CG 3.35Å; K353-D372 IonicContact NZ-OD2 3.73Å; K353-D372 PolarHBondContact NZ-OD2 3.47Å; K353-L376 HydrophobicContact CD-CD1 4.49Å; K353-F384 HydrophobicContact CD-CB 4.2Å; K353-F384 HydrophobicContact CD-CD1 4.08Å; K353-F384 HydrophobicContact CD-CD2 4.06Å; K353-F384 HydrophobicContact CD-CE1 4.48Å; K353-F384 HydrophobicContact CD-CE2 4.48Å; K353-F384 HydrophobicContact CD-CG 3.86Å; K353-F384 HydrophobicContact CG-CB 4.27Å; K353-F384 HydrophobicContact CG-CD2 4.46Å; K353-F384 HydrophobicContact CG-CG 4.36Å; K353-S387 WeakPolarHBondContact O-CB 3.29Å; K353-Y391 HydrophobicContact CB-CE2 3.79Å; K353-Y391 WeakPolarHBondContact CB-OH 3.44Å; K353-Y391 PolarHBondContact O-OH 3.28Å; K353-N591 PolarHBondContact O-ND2 3.5Å; K353-F592 HydrophobicContact CG-CB 3.73Å; K353-F592 HydrophobicContact CG-CG 4.1Å; K353-F592 VanDerWaalsContact NZ-CE1 3.26Å
354	H	98.9	Very high	98.7	Very high	11 Å²	11	26 Å²	26	5%	0.051	13%	0.13	C	C	.	.			trans	-147	145.2	161.7	-93.6	-69.7	0	0	0	108.4	F214 D356 S387 H388 Y389 Y391 W590 F595	F214-H354 AromaticContact CD1-CE1 3.75Å; F214-H354 AromaticContact CG-CE1 3.97Å; H354-D356 HydrophobicContact CB-CB 4.08Å; H354-D356 PolarHBondContact O-N 3.36Å; H354-S387 PolarHBondContact CE1-O 2.81Å; H354-S387 PolarHBondContact ND1-O 2.87Å; H354-S387 VanDerWaalsContact ND1-O 3.11Å; H354-H388 AromaticContact CE1-CD2 3.8Å; H354-H388 AromaticContact NE2-CD2 3.95Å; H354-Y389 AromaticContact ND1-CE1 3.88Å; H354-Y389 AromaticContact ND1-CZ 3.81Å; H354-Y389 PolarHBondContact ND1-OH 3.3Å; H354-Y391 VanDerWaalsContact CA-OH 3.29Å; H354-Y391 WeakPolarHBondContact CA-OH 3.38Å; H354-Y391 PolarHBondContact N-OH 2.66Å; H354-W590 AromaticContact CD2-CH2 3.86Å; H354-W590 AromaticContact NE2-CH2 3.31Å; H354-W590 VanDerWaalsContact NE2-CH2 3.31Å; H354-W590 WeakPolarHBondContact NE2-CH2 3.3Å; H354-W590 AromaticContact NE2-CZ2 3.74Å; H354-F595 HydrophobicContact CB-CB 4.43Å; H354-F595 HydrophobicContact CB-CG 4.4Å; H354-F595 AromaticContact CD2-CD1 3.77Å; H354-F595 AromaticContact CD2-CD2 3.85Å; H354-F595 AromaticContact CD2-CE1 3.72Å; H354-F595 AromaticContact CD2-CE2 3.8Å; H354-F595 AromaticContact CD2-CG 3.85Å; H354-F595 AromaticContact CD2-CZ 3.76Å; H354-F595 AromaticContact NE2-CE2 3.86Å; H354-F595 AromaticContact NE2-CZ 3.83Å
355	E	98.8	Very high	98.7	Very high	22 Å²	22	23.8 Å²	23.8	10%	0.103	12%	0.122	C	C	.	.	S	Bend	trans	-70.5	86.1	158.6	-65.3	-177.5	127.2	0	0	107.8	R222 K362 Y389 Y391 S392	R222-E355 IonicContact CZ-OE2 3.24Å; R222-E355 IonicContact NE-OE1 2.7Å; R222-E355 IonicContact NH2-OE1 2.77Å; R222-E355 IonicContact NH2-OE2 2.76Å; R222-E355 PolarHBondContact NH2-OE2 2.82Å; E355-K362 WeakPolarHBondContact O-CA 3.16Å; E355-K362 VanDerWaalsContact O-CG 3.28Å; E355-K362 WeakPolarHBondContact O-CG 3.21Å; E355-Y389 HydrophobicContact CB-CE2 4.05Å; E355-Y389 HydrophobicContact CG-CE2 4.25Å; E355-Y389 PolarHBondContact O-OH 2.75Å; E355-Y391 HydrophobicContact CG-CD1 3.78Å; E355-Y391 HydrophobicContact CG-CD2 4.28Å; E355-Y391 HydrophobicContact CG-CE1 4.23Å; E355-Y391 HydrophobicContact CG-CG 3.84Å; E355-S392 PolarHBondContact OE1-N 3.31Å
356	D	98.9	Very high	98.7	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.048	12%	0.121	C	C	.	.			trans	-150.9	133.6	-179	179.6	-80.1	0	0	0	111.2	H354 G361 F595 M596 R614 R616	H354-D356 HydrophobicContact CB-CB 4.08Å; H354-D356 PolarHBondContact O-N 3.36Å; D356-G361 CarbonylContact C-O 3.46Å; D356-G361 WeakPolarHBondContact CA-O 3.37Å; D356-F595 HydrophobicContact CB-CB 3.75Å; D356-F595 VanDerWaalsContact OD1-CA 3.29Å; D356-F595 WeakPolarHBondContact OD1-CA 3.3Å; D356-F595 WeakPolarHBondContact OD1-CB 3.49Å; D356-M596 PolarHBondContact OD2-N 3.04Å; D356-M596 VanDerWaalsContact OD2-N 3.15Å; D356-R614 VanDerWaalsContact CG-NH2 3.28Å; D356-R614 IonicContact OD1-CZ 2.82Å; D356-R614 VanDerWaalsContact OD1-CZ 3.24Å; D356-R614 IonicContact OD1-NE 3.9Å; D356-R614 PolarHBondContact OD1-NE 2.89Å; D356-R614 IonicContact OD1-NH2 2.84Å; D356-R614 PolarHBondContact OD1-NH2 3.49Å; D356-R614 IonicContact OD2-CZ 3.75Å; D356-R614 IonicContact OD2-NE 3.05Å; D356-R614 IonicContact OD2-NH2 3.95Å; D356-R614 PolarHBondContact OD2-NH2 3.33Å; D356-R616 PolarHBondContact O-NH1 3.37Å; D356-R616 PolarHBondContact O-NH2 3.29Å
357	S	98.8	Very high	98.7	Very high	8 Å²	8	30.2 Å²	30.2	6%	0.056	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-157.5	165.7	177.4	57.1	0	0	0	0	111.9	R360 G361 L368 R614	S357-R360 WeakPolarHBondContact OG-CD 3.4Å; S357-R360 WeakPolarHBondContact OG-CG 3.5Å; S357-G361 PolarHBondContact N-O 2.81Å; S357-G361 PolarHBondContact O-N 2.92Å; S357-G361 PolarHBondContact OG-O 3.35Å; S357-L368 VanDerWaalsContact CB-CD1 3.47Å; S357-R614 PolarHBondContact O-NH2 3.02Å
358	D	98.8	Very high	98.7	Very high	64 Å²	64	31.1 Å²	31.1	34%	0.342	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	142.6	177.1	-67.7	-38.1	0	0	0	111.9	R360 R614 Q615	D358-R360 PolarHBondContact O-N 3.13Å; D358-R614 VanDerWaalsContact OD1-CD 3.28Å; D358-R614 WeakPolarHBondContact OD1-CD 3.38Å; D358-R614 IonicContact OD1-CZ 3.77Å; D358-R614 IonicContact OD1-NE 2.86Å; D358-R614 IonicContact OD1-NH1 2.76Å; D358-R614 PolarHBondContact OD1-NH1 2.88Å; D358-Q615 WeakPolarHBondContact OD2-CG 3.19Å; D358-Q615 PolarHBondContact OD2-NE2 3.4Å
359	I	98.8	Very high	98.7	Very high	111 Å²	111	32 Å²	32	57%	0.569	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-56.5	178.7	-51.1	-55.3	0	0	0	114.2	I93 G361	I93-I359 HydrophobicContact CD1-CG2 3.79Å; I359-G361 VanDerWaalsContact C-N 3.33Å; I359-G361 PolarHBondContact O-N 2.89Å
360	R	98.7	Very high	98.7	Very high	80 Å²	80	33.1 Å²	33.1	30%	0.302	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.5	-175	69.7	-170.8	71.1	-149	15.6	114.6	S88 S89 S357 D358 K362 G363 D365	S88-R360 WeakPolarHBondContact OG-CA 3.32Å; S88-R360 PolarHBondContact OG-O 2.85Å; S89-R360 WeakPolarHBondContact CB-O 3.37Å; S89-R360 PolarHBondContact N-O 2.99Å; S89-R360 PolarHBondContact OG-O 3.17Å; S357-R360 WeakPolarHBondContact OG-CD 3.4Å; S357-R360 WeakPolarHBondContact OG-CG 3.5Å; D358-R360 PolarHBondContact O-N 3.13Å; R360-K362 PolarHBondContact O-N 3.35Å; R360-G363 WeakPolarHBondContact CD-O 3.45Å; R360-G363 PolarHBondContact O-N 3.39Å; R360-D365 IonicContact CZ-OD1 3.94Å; R360-D365 VanDerWaalsContact NH1-CB 3.33Å; R360-D365 VanDerWaalsContact NH1-CG 3.27Å; R360-D365 IonicContact NH1-OD1 2.97Å; R360-D365 PolarHBondContact NH1-OD1 3.36Å; R360-D365 IonicContact NH2-OD1 2.65Å; R360-D365 PolarHBondContact NH2-OD1 3Å
361	G	98.7	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	59.8	-116.6	-178	0	0	0	0	0	111.3	D356 S357 I359 G363	D356-G361 CarbonylContact C-O 3.46Å; D356-G361 WeakPolarHBondContact CA-O 3.37Å; S357-G361 PolarHBondContact N-O 2.81Å; S357-G361 PolarHBondContact O-N 2.92Å; S357-G361 PolarHBondContact OG-O 3.35Å; I359-G361 VanDerWaalsContact C-N 3.33Å; I359-G361 PolarHBondContact O-N 2.89Å; G361-G363 VanDerWaalsContact C-N 3.27Å; G361-G363 PolarHBondContact O-N 3.12Å
362	K	98.6	Very high	98.8	Very high	7 Å²	7	38 Å²	38	3%	0.03	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.6	175.7	-72.5	179.6	157.7	50.5	0	114.4	S89 F215 Y217 H221 E355 R360 F364 Y389	S89-K362 PolarHBondContact OG-N 2.86Å; F215-K362 PolarHBondContact O-NZ 2.95Å; Y217-K362 HydrophobicContact CD2-CG 4.17Å; Y217-K362 HydrophobicContact CG-CG 4.4Å; H221-K362 HydrophobicContact CB-CB 4.27Å; E355-K362 WeakPolarHBondContact O-CA 3.16Å; E355-K362 VanDerWaalsContact O-CG 3.28Å; E355-K362 WeakPolarHBondContact O-CG 3.21Å; R360-K362 PolarHBondContact O-N 3.35Å; K362-F364 PolarHBondContact O-N 2.82Å; K362-Y389 WeakPolarHBondContact CE-OH 3.28Å; K362-Y389 PolarHBondContact NZ-OH 2.88Å
363	G	98.6	Very high	98.7	Very high	7 Å²	7	38 Å²	38	7%	0.072	19%	0.185	C	C	.	.			trans	-58.2	129.8	-177.8	0	0	0	0	0	113.3	H221 R360 G361	H221-G363 WeakPolarHBondContact O-CA 3.49Å; R360-G363 WeakPolarHBondContact CD-O 3.45Å; R360-G363 PolarHBondContact O-N 3.39Å; G361-G363 VanDerWaalsContact C-N 3.27Å; G361-G363 PolarHBondContact O-N 3.12Å
364	F	98.6	Very high	98.8	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.079	20%	0.199	C	C	.	.			trans	-58.3	143.3	174.5	176.4	-96.2	0	0	0	112.7	P87 H221 K362 W366 L369 S392 E394	P87-F364 HydrophobicContact CB-CB 4.23Å; P87-F364 HydrophobicContact CG-CB 4.2Å; H221-F364 PolarHBondContact O-N 2.89Å; K362-F364 PolarHBondContact O-N 2.82Å; F364-W366 AromaticContact CE1-CD1 3.7Å; F364-W366 AromaticContact CE1-CD2 3.95Å; F364-W366 HydrophobicContact CE1-CD2 3.95Å; F364-W366 AromaticContact CE1-CE2 3.69Å; F364-W366 AromaticContact CE1-CG 3.97Å; F364-W366 HydrophobicContact CE1-CG 3.97Å; F364-W366 HydrophobicContact CE1-CZ2 4.27Å; F364-W366 AromaticContact CE1-NE1 3.52Å; F364-W366 AromaticContact CZ-CD2 3.66Å; F364-W366 HydrophobicContact CZ-CD2 3.66Å; F364-W366 AromaticContact CZ-CE2 3.53Å; F364-W366 HydrophobicContact CZ-CE3 4.04Å; F364-W366 HydrophobicContact CZ-CG 4.11Å; F364-W366 HydrophobicContact CZ-CH2 4.16Å; F364-W366 AromaticContact CZ-CZ2 3.8Å; F364-W366 HydrophobicContact CZ-CZ2 3.8Å; F364-W366 HydrophobicContact CZ-CZ3 4.27Å; F364-W366 AromaticContact CZ-NE1 3.89Å; F364-L369 HydrophobicContact CE2-CD2 3.73Å; F364-L369 HydrophobicContact CZ-CD2 4.09Å; F364-S392 VanDerWaalsContact CD2-OG 3.32Å; F364-S392 WeakPolarHBondContact CD2-OG 3.43Å; F364-S392 WeakPolarHBondContact CE2-OG 3.32Å; F364-E394 HydrophobicContact CE2-CB 3.79Å; F364-E394 HydrophobicContact CE2-CG 4.14Å; F364-E394 HydrophobicContact CZ-CB 3.95Å; F364-E394 HydrophobicContact CZ-CG 3.98Å
365	D	98.5	Very high	98.8	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.15	20%	0.199	C	C	.	.			trans	-154.9	117.4	179.8	-176.1	78.9	0	0	0	112.3	R360 P367 L368 L369	R360-D365 IonicContact CZ-OD1 3.94Å; R360-D365 VanDerWaalsContact NH1-CB 3.33Å; R360-D365 VanDerWaalsContact NH1-CG 3.27Å; R360-D365 IonicContact NH1-OD1 2.97Å; R360-D365 PolarHBondContact NH1-OD1 3.36Å; R360-D365 IonicContact NH2-OD1 2.65Å; R360-D365 PolarHBondContact NH2-OD1 3Å; D365-P367 WeakPolarHBondContact OD2-CB 3.17Å; D365-P367 WeakPolarHBondContact OD2-CD 3.37Å; D365-L368 HydrophobicContact CB-CB 4.15Å; D365-L368 HydrophobicContact CB-CD1 4.13Å; D365-L368 HydrophobicContact CB-CG 4.41Å; D365-L368 PolarHBondContact O-N 2.86Å; D365-L368 WeakPolarHBondContact OD2-CB 3.22Å; D365-L368 VanDerWaalsContact OD2-CG 3.32Å; D365-L368 WeakPolarHBondContact OD2-CG 3.28Å; D365-L368 PolarHBondContact OD2-N 3.04Å; D365-L369 VanDerWaalsContact O-CB 3.26Å; D365-L369 WeakPolarHBondContact O-CB 3.34Å; D365-L369 PolarHBondContact O-N 3.29Å
366	W	98.6	Very high	98.8	Very high	135 Å²	135	39.4 Å²	39.4	51%	0.511	19%	0.194	S	C	.	.	H	α-helix	trans	-59.1	-47.2	179	-78.6	116.2	0	0	0	114.1	F364 L368 L369 M370 E394 L398	F364-W366 AromaticContact CE1-CD1 3.7Å; F364-W366 AromaticContact CE1-CD2 3.95Å; F364-W366 HydrophobicContact CE1-CD2 3.95Å; F364-W366 AromaticContact CE1-CE2 3.69Å; F364-W366 AromaticContact CE1-CG 3.97Å; F364-W366 HydrophobicContact CE1-CG 3.97Å; F364-W366 HydrophobicContact CE1-CZ2 4.27Å; F364-W366 AromaticContact CE1-NE1 3.52Å; F364-W366 AromaticContact CZ-CD2 3.66Å; F364-W366 HydrophobicContact CZ-CD2 3.66Å; F364-W366 AromaticContact CZ-CE2 3.53Å; F364-W366 HydrophobicContact CZ-CE3 4.04Å; F364-W366 HydrophobicContact CZ-CG 4.11Å; F364-W366 HydrophobicContact CZ-CH2 4.16Å; F364-W366 AromaticContact CZ-CZ2 3.8Å; F364-W366 HydrophobicContact CZ-CZ2 3.8Å; F364-W366 HydrophobicContact CZ-CZ3 4.27Å; F364-W366 AromaticContact CZ-NE1 3.89Å; W366-L368 PolarHBondContact O-N 3.1Å; W366-L369 HydrophobicContact CE3-CD2 3.93Å; W366-L369 HydrophobicContact CZ3-CD2 3.81Å; W366-L369 PolarHBondContact O-N 2.97Å; W366-M370 PolarHBondContact O-N 3.05Å; W366-E394 HydrophobicContact CH2-CB 3.77Å; W366-E394 HydrophobicContact CH2-CG 3.9Å; W366-E394 HydrophobicContact CZ2-CB 4.26Å; W366-E394 HydrophobicContact CZ2-CG 3.92Å; W366-E394 HydrophobicContact CZ3-CB 4.39Å; W366-L398 HydrophobicContact CZ3-CD1 4.45Å
367	P	98.9	Very high	98.8	Very high	93 Å²	93	41.4 Å²	41.4	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-54.9	-48.3	175.9	-27.7	32.4	0	0	0	114.1	D365 K371	D365-P367 WeakPolarHBondContact OD2-CB 3.17Å; D365-P367 WeakPolarHBondContact OD2-CD 3.37Å; P367-K371 VanDerWaalsContact O-CB 3.28Å; P367-K371 WeakPolarHBondContact O-CB 3.41Å; P367-K371 PolarHBondContact O-N 3.45Å
368	L	98.8	Very high	98.8	Very high	45 Å²	45	44.7 Å²	44.7	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-40.7	178.6	-75	172.6	0	0	0	111.8	S357 D365 W366 M370 K371 D372	S357-L368 VanDerWaalsContact CB-CD1 3.47Å; D365-L368 HydrophobicContact CB-CB 4.15Å; D365-L368 HydrophobicContact CB-CD1 4.13Å; D365-L368 HydrophobicContact CB-CG 4.41Å; D365-L368 PolarHBondContact O-N 2.86Å; D365-L368 WeakPolarHBondContact OD2-CB 3.22Å; D365-L368 VanDerWaalsContact OD2-CG 3.32Å; D365-L368 WeakPolarHBondContact OD2-CG 3.28Å; D365-L368 PolarHBondContact OD2-N 3.04Å; W366-L368 PolarHBondContact O-N 3.1Å; L368-M370 PolarHBondContact O-N 3.07Å; L368-K371 PolarHBondContact O-N 3.34Å; L368-D372 WeakPolarHBondContact O-CB 3.29Å; L368-D372 PolarHBondContact O-N 3.28Å
369	L	98.8	Very high	98.8	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-51.2	175.9	179.6	58.1	0	0	0	110.8	F364 D365 W366 K371 D372 F373 E394 V395 L398	F364-L369 HydrophobicContact CE2-CD2 3.73Å; F364-L369 HydrophobicContact CZ-CD2 4.09Å; D365-L369 VanDerWaalsContact O-CB 3.26Å; D365-L369 WeakPolarHBondContact O-CB 3.34Å; D365-L369 PolarHBondContact O-N 3.29Å; W366-L369 HydrophobicContact CE3-CD2 3.93Å; W366-L369 HydrophobicContact CZ3-CD2 3.81Å; W366-L369 PolarHBondContact O-N 2.97Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 3.26Å; L369-D372 WeakPolarHBondContact O-CB 3.34Å; L369-D372 PolarHBondContact O-N 3.22Å; L369-F373 HydrophobicContact CD1-CD2 3.83Å; L369-F373 HydrophobicContact CD1-CE2 3.57Å; L369-F373 HydrophobicContact CG-CD2 4.37Å; L369-F373 HydrophobicContact CG-CE2 4.4Å; L369-F373 WeakPolarHBondContact O-CD2 3.26Å; L369-F373 PolarHBondContact O-N 3.33Å; L369-E394 HydrophobicContact CD2-CB 4.45Å; L369-V395 HydrophobicContact CD1-CB 4.43Å; L369-V395 HydrophobicContact CD1-CG2 3.7Å; L369-V395 HydrophobicContact CD2-CG2 4.45Å; L369-L398 HydrophobicContact CD1-CD1 4.07Å; L369-L398 HydrophobicContact CD2-CD1 3.52Å; L369-L398 HydrophobicContact CD2-CG 4.43Å; L369-L398 HydrophobicContact CG-CD1 3.48Å; L369-L398 VanDerWaalsContact CG-CD1 3.48Å
370	M	98.8	Very high	98.8	Very high	30 Å²	30	36.3 Å²	36.3	15%	0.148	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-36.5	177.6	-73.5	-49.9	-47.6	0	0	112.7	W366 L368 D372 F373 N374 L398 Y402	W366-M370 PolarHBondContact O-N 3.05Å; L368-M370 PolarHBondContact O-N 3.07Å; M370-D372 VanDerWaalsContact C-N 3.3Å; M370-D372 PolarHBondContact O-N 3.36Å; M370-F373 PolarHBondContact O-N 3.15Å; M370-N374 WeakPolarHBondContact O-CB 3.46Å; M370-N374 VanDerWaalsContact O-CG 3.3Å; M370-N374 PolarHBondContact O-N 3.18Å; M370-N374 PolarHBondContact O-ND2 2.95Å; M370-L398 HydrophobicContact SD-CD1 3.73Å; M370-L398 HydrophobicContact SD-CD2 4.25Å; M370-Y402 WeakPolarHBondContact CE-OH 3.43Å
371	K	98.9	Very high	98.8	Very high	91 Å²	91	32.5 Å²	32.5	40%	0.396	16%	0.155	S	C	.	.	H	α-helix	trans	-60.7	-42.3	173.6	176.3	57.9	-179.8	175.4	0	111.3	P367 L368 L369 N374 L375 R616	P367-K371 VanDerWaalsContact O-CB 3.28Å; P367-K371 WeakPolarHBondContact O-CB 3.41Å; P367-K371 PolarHBondContact O-N 3.45Å; L368-K371 PolarHBondContact O-N 3.34Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 3.26Å; K371-N374 PolarHBondContact O-N 3.04Å; K371-L375 HydrophobicContact CD-CD1 4.48Å; K371-L375 HydrophobicContact CD-CG 4.41Å; K371-L375 HydrophobicContact CG-CD1 4.48Å; K371-L375 WeakPolarHBondContact O-CG 3.43Å; K371-L375 PolarHBondContact O-N 3.4Å; K371-R616 HydrophobicContact CG-CB 4Å; K371-R616 HydrophobicContact CG-CG 4.13Å
372	D	98.9	Very high	98.8	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-45.2	178.9	-82.5	12.9	0	0	0	111.5	K353 L368 L369 M370 N374 L375 L376 F592 R616	K353-D372 VanDerWaalsContact NZ-CG 3.35Å; K353-D372 IonicContact NZ-OD2 3.73Å; K353-D372 PolarHBondContact NZ-OD2 3.47Å; L368-D372 WeakPolarHBondContact O-CB 3.29Å; L368-D372 PolarHBondContact O-N 3.28Å; L369-D372 WeakPolarHBondContact O-CB 3.34Å; L369-D372 PolarHBondContact O-N 3.22Å; M370-D372 VanDerWaalsContact C-N 3.3Å; M370-D372 PolarHBondContact O-N 3.36Å; D372-N374 PolarHBondContact O-N 3.13Å; D372-L375 PolarHBondContact O-N 3.31Å; D372-L375 VanDerWaalsContact O-N 3.16Å; D372-L376 WeakPolarHBondContact O-CG 3.38Å; D372-L376 PolarHBondContact O-N 3.46Å; D372-F592 HydrophobicContact CB-CE1 4.16Å; D372-F592 HydrophobicContact CB-CZ 4.04Å; D372-F592 VanDerWaalsContact OD1-CE1 3.26Å; D372-F592 WeakPolarHBondContact OD1-CE1 3.19Å; D372-F592 WeakPolarHBondContact OD2-CE1 3.24Å; D372-R616 WeakPolarHBondContact OD1-CG 3.31Å; D372-R616 IonicContact OD1-CZ 2.72Å; D372-R616 IonicContact OD1-NE 3.65Å; D372-R616 PolarHBondContact OD1-NE 3.37Å; D372-R616 IonicContact OD1-NH2 3.33Å; D372-R616 IonicContact OD2-CZ 3.48Å; D372-R616 IonicContact OD2-NE 3.72Å; D372-R616 IonicContact OD2-NH2 3.63Å; D372-R616 PolarHBondContact OD2-NH2 2.9Å
373	F	98.9	Very high	98.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-40.7	175.4	-88.4	-100.3	0	0	0	112.6	L369 M370 L375 L376 Y377 V395 L398 C399 Y402 I404	L369-F373 HydrophobicContact CD1-CD2 3.83Å; L369-F373 HydrophobicContact CD1-CE2 3.57Å; L369-F373 HydrophobicContact CG-CD2 4.37Å; L369-F373 HydrophobicContact CG-CE2 4.4Å; L369-F373 WeakPolarHBondContact O-CD2 3.26Å; L369-F373 PolarHBondContact O-N 3.33Å; M370-F373 PolarHBondContact O-N 3.15Å; F373-L375 VanDerWaalsContact C-N 3.27Å; F373-L375 PolarHBondContact O-N 3.01Å; F373-L376 PolarHBondContact O-N 3.23Å; F373-Y377 PolarHBondContact O-N 3.33Å; F373-V395 HydrophobicContact CE2-CG1 4.38Å; F373-V395 HydrophobicContact CZ-CG1 4.49Å; F373-L398 HydrophobicContact CD1-CB 4.2Å; F373-L398 HydrophobicContact CD2-CB 4.33Å; F373-L398 HydrophobicContact CD2-CD1 3.87Å; F373-L398 HydrophobicContact CE1-CB 3.61Å; F373-L398 HydrophobicContact CE2-CB 3.76Å; F373-L398 HydrophobicContact CE2-CD1 3.86Å; F373-L398 HydrophobicContact CE2-CG 4.5Å; F373-L398 HydrophobicContact CG-CD1 4.33Å; F373-L398 HydrophobicContact CZ-CB 3.35Å; F373-L398 HydrophobicContact CZ-CD1 4.31Å; F373-L398 HydrophobicContact CZ-CG 4.5Å; F373-C399 VanDerWaalsContact CZ-SG 3.6Å; F373-Y402 HydrophobicContact CD1-CD1 4.41Å; F373-Y402 HydrophobicContact CD1-CD2 4.2Å; F373-Y402 AromaticContact CD1-CG 3.94Å; F373-Y402 HydrophobicContact CD1-CG 3.94Å; F373-Y402 HydrophobicContact CE1-CG 4.41Å; F373-I404 HydrophobicContact CD1-CG1 4.41Å; F373-I404 HydrophobicContact CE1-CG1 4.17Å
374	N	98.9	Very high	98.8	Very high	62 Å²	62	32.1 Å²	32.1	33%	0.332	15%	0.152	S	C	.	.	H	α-helix	trans	-60.9	-37.7	173.7	-76.8	-42.4	0	0	0	112.1	M370 K371 D372 W378 F653	M370-N374 WeakPolarHBondContact O-CB 3.46Å; M370-N374 VanDerWaalsContact O-CG 3.3Å; M370-N374 PolarHBondContact O-N 3.18Å; M370-N374 PolarHBondContact O-ND2 2.95Å; K371-N374 PolarHBondContact O-N 3.04Å; D372-N374 PolarHBondContact O-N 3.13Å; N374-W378 VanDerWaalsContact O-CB 3.29Å; N374-W378 WeakPolarHBondContact O-CB 3.16Å; N374-W378 PolarHBondContact O-N 3.3Å; N374-F653 WeakPolarHBondContact OD1-CZ 3.2Å
375	L	98.9	Very high	98.8	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-37.2	175.3	-74.8	177.9	0	0	0	112.8	K371 D372 F373 Y377 W378 L379 F592 F612 R616	K371-L375 HydrophobicContact CD-CD1 4.48Å; K371-L375 HydrophobicContact CD-CG 4.41Å; K371-L375 HydrophobicContact CG-CD1 4.48Å; K371-L375 WeakPolarHBondContact O-CG 3.43Å; K371-L375 PolarHBondContact O-N 3.4Å; D372-L375 PolarHBondContact O-N 3.31Å; D372-L375 VanDerWaalsContact O-N 3.16Å; F373-L375 VanDerWaalsContact C-N 3.27Å; F373-L375 PolarHBondContact O-N 3.01Å; L375-Y377 VanDerWaalsContact C-N 3.33Å; L375-Y377 PolarHBondContact O-N 3.06Å; L375-W378 HydrophobicContact CD2-CE3 4.46Å; L375-W378 PolarHBondContact O-N 2.81Å; L375-L379 WeakPolarHBondContact O-CB 3.08Å; L375-L379 PolarHBondContact O-N 2.92Å; L375-F592 HydrophobicContact CB-CE2 3.95Å; L375-F592 HydrophobicContact CB-CZ 3.82Å; L375-F592 HydrophobicContact CD1-CZ 3.88Å; L375-F612 HydrophobicContact CB-CE2 4.23Å; L375-F612 HydrophobicContact CB-CZ 4.06Å; L375-F612 HydrophobicContact CD1-CD1 4Å; L375-F612 HydrophobicContact CD1-CD2 4.34Å; L375-F612 HydrophobicContact CD1-CE1 3.98Å; L375-F612 HydrophobicContact CD1-CE2 4.34Å; L375-F612 HydrophobicContact CD1-CG 4.23Å; L375-F612 HydrophobicContact CD1-CZ 4.17Å; L375-F612 HydrophobicContact CD2-CD1 4.45Å; L375-F612 HydrophobicContact CD2-CE1 3.71Å; L375-F612 HydrophobicContact CD2-CZ 3.92Å; L375-F612 HydrophobicContact CG-CE1 4.31Å; L375-F612 HydrophobicContact CG-CZ 4.28Å; L375-R616 HydrophobicContact CD1-CB 3.72Å; L375-R616 HydrophobicContact CD1-CG 3.83Å
376	L	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-46.2	172.8	-70.6	172.2	0	0	0	110.8	V351 K353 D372 F373 L379 G380 A381 F384 F592	V351-L376 HydrophobicContact CG2-CD2 3.54Å; K353-L376 HydrophobicContact CD-CD1 4.49Å; D372-L376 WeakPolarHBondContact O-CG 3.38Å; D372-L376 PolarHBondContact O-N 3.46Å; F373-L376 PolarHBondContact O-N 3.23Å; L376-L379 PolarHBondContact O-N 2.94Å; L376-G380 PolarHBondContact O-N 3.15Å; L376-A381 HydrophobicContact CB-CB 4.46Å; L376-A381 HydrophobicContact CD2-CB 3.9Å; L376-A381 PolarHBondContact O-N 3.07Å; L376-F384 HydrophobicContact CD1-CD1 4.02Å; L376-F384 HydrophobicContact CD1-CE1 4.25Å; L376-F592 HydrophobicContact CD2-CD2 4.09Å; L376-F592 HydrophobicContact CD2-CE2 4.1Å; L376-F592 HydrophobicContact CG-CE2 4.28Å
377	Y	98.7	Very high	98.8	Very high	51 Å²	51	23.6 Å²	23.6	20%	0.2	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-47.3	175.3	-94.3	-119.6	0	0	0	112.4	Y297 F373 L375 L379 G380 Y402 I404	Y297-Y377 HydrophobicContact CD1-CD2 4.46Å; Y297-Y377 HydrophobicContact CD1-CE2 4.25Å; Y297-Y377 HydrophobicContact CD2-CD1 4.33Å; Y297-Y377 AromaticContact CD2-CE1 3.68Å; Y297-Y377 HydrophobicContact CD2-CE1 3.68Å; Y297-Y377 HydrophobicContact CD2-CE2 4.3Å; Y297-Y377 AromaticContact CD2-CZ 3.64Å; Y297-Y377 HydrophobicContact CE1-CD1 4.33Å; Y297-Y377 HydrophobicContact CE1-CD2 4.36Å; Y297-Y377 HydrophobicContact CE1-CG 4.24Å; Y297-Y377 AromaticContact CE2-CD1 3.74Å; Y297-Y377 HydrophobicContact CE2-CD1 3.74Å; Y297-Y377 AromaticContact CE2-CE1 3.47Å; Y297-Y377 HydrophobicContact CE2-CE1 3.47Å; Y297-Y377 VanDerWaalsContact CE2-CE1 3.47Å; Y297-Y377 HydrophobicContact CE2-CG 4.44Å; Y297-Y377 AromaticContact CE2-CZ 3.91Å; Y297-Y377 HydrophobicContact CG-CE1 4.34Å; Y297-Y377 HydrophobicContact CG-CE2 4.15Å; Y297-Y377 AromaticContact CG-CZ 3.92Å; Y297-Y377 AromaticContact CZ-CD1 3.74Å; Y297-Y377 AromaticContact CZ-CE1 3.95Å; Y297-Y377 PolarHBondContact OH-O 3.26Å; F373-Y377 PolarHBondContact O-N 3.33Å; L375-Y377 VanDerWaalsContact C-N 3.33Å; L375-Y377 PolarHBondContact O-N 3.06Å; Y377-L379 PolarHBondContact O-N 3.08Å; Y377-G380 PolarHBondContact O-N 2.97Å; Y377-Y402 HydrophobicContact CD2-CD1 4.24Å; Y377-Y402 HydrophobicContact CE1-CD1 4.3Å; Y377-Y402 AromaticContact CE2-CD1 3.56Å; Y377-Y402 HydrophobicContact CE2-CD1 3.56Å; Y377-Y402 HydrophobicContact CE2-CG 4.18Å; Y377-Y402 AromaticContact CZ-CD1 3.58Å; Y377-Y402 WeakPolarHBondContact OH-CA 3.42Å; Y377-Y402 PolarHBondContact OH-O 3.08Å; Y377-I404 HydrophobicContact CD2-CD1 4.25Å; Y377-I404 HydrophobicContact CE2-CD1 3.79Å; Y377-I404 HydrophobicContact CE2-CG1 4.17Å
378	W	98.8	Very high	98.7	Very high	76 Å²	76	19.5 Å²	19.5	29%	0.288	9%	0.09	S	C	.	.	H	α-helix	trans	-56.3	-43	176.6	171.1	85	0	0	0	111.4	N374 L375 G380 F612 A622 F623 R626 W630	N374-W378 VanDerWaalsContact O-CB 3.29Å; N374-W378 WeakPolarHBondContact O-CB 3.16Å; N374-W378 PolarHBondContact O-N 3.3Å; L375-W378 HydrophobicContact CD2-CE3 4.46Å; L375-W378 PolarHBondContact O-N 2.81Å; W378-G380 VanDerWaalsContact C-N 3.25Å; W378-G380 PolarHBondContact O-N 2.99Å; W378-F612 HydrophobicContact CE3-CE1 4.37Å; W378-F612 AromaticContact CE3-CZ 3.95Å; W378-F612 HydrophobicContact CE3-CZ 3.95Å; W378-F612 AromaticContact CZ3-CE1 3.95Å; W378-F612 HydrophobicContact CZ3-CE1 3.95Å; W378-F612 AromaticContact CZ3-CZ 3.7Å; W378-F612 HydrophobicContact CZ3-CZ 3.7Å; W378-A622 HydrophobicContact CH2-CB 4.22Å; W378-A622 HydrophobicContact CZ3-CB 4.14Å; W378-F623 AromaticContact CH2-CD1 3.87Å; W378-F623 HydrophobicContact CH2-CD1 3.87Å; W378-F623 AromaticContact CH2-CE1 4Å; W378-F623 HydrophobicContact CH2-CE1 4Å; W378-F623 HydrophobicContact CH2-CG 4.3Å; W378-F623 AromaticContact CZ2-CD1 3.67Å; W378-F623 HydrophobicContact CZ2-CD1 3.67Å; W378-F623 AromaticContact CZ2-CE1 3.6Å; W378-F623 HydrophobicContact CZ2-CE1 3.6Å; W378-F623 HydrophobicContact CZ2-CZ 4.41Å; W378-R626 HydrophobicContact CH2-CB 4.39Å; W378-R626 VanDerWaalsContact CZ2-CD 3.48Å; W378-R626 HydrophobicContact CZ3-CB 4.4Å; W378-R626 WeakPolarHBondContact O-CD 3.31Å; W378-R626 WeakPolarHBondContact O-CG 3.45Å; W378-R626 PolarHBondContact O-NE 3.29Å; W378-W630 PolarHBondContact O-NE1 3.36Å; W378-W630 VanDerWaalsContact O-NE1 3.1Å
379	L	98.8	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-23.7	178.3	-174.5	63.4	0	0	0	112.4	V351 L375 L376 Y377 A381 I611 A622 L625 R626 Y629	V351-L379 HydrophobicContact CG1-CD2 3.67Å; L375-L379 WeakPolarHBondContact O-CB 3.08Å; L375-L379 PolarHBondContact O-N 2.92Å; L376-L379 PolarHBondContact O-N 2.94Å; Y377-L379 PolarHBondContact O-N 3.08Å; L379-A381 VanDerWaalsContact C-N 3.29Å; L379-A381 HydrophobicContact CB-CB 4.42Å; L379-A381 HydrophobicContact CD2-CB 4Å; L379-A381 HydrophobicContact CG-CB 4.3Å; L379-I611 HydrophobicContact CD1-CD1 4.35Å; L379-I611 HydrophobicContact CD2-CD1 3.7Å; L379-A622 WeakPolarHBondContact CD1-O 3.33Å; L379-L625 HydrophobicContact CD1-CB 4.03Å; L379-L625 HydrophobicContact CD1-CD2 4.25Å; L379-L625 HydrophobicContact CD1-CG 4.21Å; L379-L625 HydrophobicContact CD2-CD2 4.26Å; L379-R626 HydrophobicContact CD1-CB 3.94Å; L379-R626 WeakPolarHBondContact O-CA 3.48Å; L379-Y629 HydrophobicContact CD2-CD2 4.42Å; L379-Y629 HydrophobicContact CD2-CE2 4.28Å; L379-Y629 HydrophobicContact CG-CD2 4.01Å; L379-Y629 HydrophobicContact CG-CE2 4.34Å; L379-Y629 WeakPolarHBondContact O-CB 3.05Å
380	G	98.7	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	20	-168.7	0	0	0	0	0	112.6	H349 L376 Y377 W378 N382	H349-G380 PolarHBondContact CE1-O 3.31Å; H349-G380 VanDerWaalsContact CE1-O 3.23Å; H349-G380 PolarHBondContact ND1-O 3.34Å; L376-G380 PolarHBondContact O-N 3.15Å; Y377-G380 PolarHBondContact O-N 2.97Å; W378-G380 VanDerWaalsContact C-N 3.25Å; W378-G380 PolarHBondContact O-N 2.99Å; G380-N382 PolarHBondContact O-N 2.97Å
381	A	98.9	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.068	C	C	.	.			trans	-73.5	123.7	176.4	0	0	0	0	0	110	H349 L376 L379 I404 Y629	H349-A381 VanDerWaalsContact O-CA 3.29Å; H349-A381 WeakPolarHBondContact O-CA 3.24Å; L376-A381 HydrophobicContact CB-CB 4.46Å; L376-A381 HydrophobicContact CD2-CB 3.9Å; L376-A381 PolarHBondContact O-N 3.07Å; L379-A381 VanDerWaalsContact C-N 3.29Å; L379-A381 HydrophobicContact CB-CB 4.42Å; L379-A381 HydrophobicContact CD2-CB 4Å; L379-A381 HydrophobicContact CG-CB 4.3Å; A381-I404 WeakPolarHBondContact O-CD1 3.21Å; A381-Y629 HydrophobicContact CB-CD2 4.25Å; A381-Y629 HydrophobicContact CB-CE2 4.34Å
382	N	98.8	Very high	98.7	Very high	4 Å²	4	11 Å²	11	2%	0.021	5%	0.049	C	C	.	.			trans	-97.6	-4.8	179.4	71.1	-2.3	0	0	0	113.4	F346 Y347 H349 G380 V405	F346-N382 VanDerWaalsContact CE2-ND2 3.26Å; F346-N382 WeakPolarHBondContact CE2-ND2 3.03Å; F346-N382 VanDerWaalsContact CZ-ND2 3.34Å; F346-N382 WeakPolarHBondContact CZ-ND2 3.46Å; Y347-N382 PolarHBondContact O-ND2 2.86Å; H349-N382 PolarHBondContact CD2-ND2 2.87Å; H349-N382 PolarHBondContact CE1-ND2 2.99Å; H349-N382 VanDerWaalsContact CE1-ND2 3.33Å; H349-N382 PolarHBondContact N-OD1 3.24Å; H349-N382 PolarHBondContact NE2-ND2 2.96Å; H349-N382 PolarHBondContact O-N 3.17Å; H349-N382 VanDerWaalsContact O-N 3.08Å; H349-N382 PolarHBondContact O-OD1 3.3Å; G380-N382 PolarHBondContact O-N 2.97Å; N382-V405 PolarHBondContact O-N 3.26Å
383	S	98.9	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.4	-174.5	52.2	0	0	0	0	113.6	F348 G350 V351 V405	F348-S383 WeakPolarHBondContact CB-OG 3.12Å; G350-S383 WeakPolarHBondContact CA-O 3.49Å; V351-S383 PolarHBondContact N-O 2.98Å; V351-S383 VanDerWaalsContact N-O 3.17Å; S383-V405 CarbonylContact C-O 3.54Å; S383-V405 WeakPolarHBondContact CA-O 3.48Å; S383-V405 VanDerWaalsContact CB-O 3.24Å; S383-V405 WeakPolarHBondContact CB-O 3.4Å
384	F	98.9	Very high	98.7	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.9	161.8	65.7	-96.7	0	0	0	112.3	V351 K353 L376 T386 Y391 V395 C399 I404 V405 V406 I407	V351-F384 HydrophobicContact CG2-CB 3.87Å; V351-F384 WeakPolarHBondContact O-CA 3.25Å; V351-F384 WeakPolarHBondContact O-CB 3.39Å; K353-F384 HydrophobicContact CD-CB 4.2Å; K353-F384 HydrophobicContact CD-CD1 4.08Å; K353-F384 HydrophobicContact CD-CD2 4.06Å; K353-F384 HydrophobicContact CD-CE1 4.48Å; K353-F384 HydrophobicContact CD-CE2 4.48Å; K353-F384 HydrophobicContact CD-CG 3.86Å; K353-F384 HydrophobicContact CG-CB 4.27Å; K353-F384 HydrophobicContact CG-CD2 4.46Å; K353-F384 HydrophobicContact CG-CG 4.36Å; L376-F384 HydrophobicContact CD1-CD1 4.02Å; L376-F384 HydrophobicContact CD1-CE1 4.25Å; F384-T386 HydrophobicContact CE2-CG2 3.92Å; F384-Y391 HydrophobicContact CE2-CD2 4.21Å; F384-Y391 HydrophobicContact CE2-CE2 4.21Å; F384-V395 HydrophobicContact CE2-CG1 4.39Å; F384-V395 HydrophobicContact CZ-CG1 3.74Å; F384-C399 WeakPolarHBondContact CE1-SG 3.37Å; F384-C399 WeakPolarHBondContact CZ-SG 3.21Å; F384-I404 HydrophobicContact CD1-CG2 3.53Å; F384-I404 HydrophobicContact CE1-CG2 3.68Å; F384-V405 PolarHBondContact N-O 2.97Å; F384-V406 HydrophobicContact CE1-CG2 4.21Å; F384-V406 HydrophobicContact CE2-CG1 4.31Å; F384-V406 HydrophobicContact CE2-CG2 4.18Å; F384-V406 HydrophobicContact CZ-CG2 3.89Å; F384-V406 WeakPolarHBondContact O-CA 3.46Å; F384-I407 PolarHBondContact O-N 3.13Å
385	R	98.9	Very high	98.7	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.7	168.9	-172.5	-177	74.3	-172.5	0.5	110.2	V351 N352 S387 H388 I407 E409 N453 V485 E543 L588	V351-R385 PolarHBondContact O-N 3.17Å; N352-R385 PolarHBondContact OD1-NE 2.98Å; N352-R385 VanDerWaalsContact OD1-NE 3.16Å; N352-R385 PolarHBondContact OD1-NH2 2.83Å; R385-S387 PolarHBondContact NE-OG 2.79Å; R385-S387 PolarHBondContact NH2-OG 3.19Å; R385-S387 PolarHBondContact O-N 2.88Å; R385-H388 PolarHBondContact NH2-CE1 2.66Å; R385-I407 WeakPolarHBondContact CA-O 3.49Å; R385-I407 HydrophobicContact CB-CB 4.17Å; R385-I407 HydrophobicContact CG-CB 3.98Å; R385-I407 HydrophobicContact CG-CG2 4.02Å; R385-E409 WeakPolarHBondContact CD-OE2 3.29Å; R385-E409 HydrophobicContact CG-CB 4.35Å; R385-E409 IonicContact CZ-OE2 3.78Å; R385-E409 IonicContact NE-OE1 3.76Å; R385-E409 IonicContact NE-OE2 2.81Å; R385-N453 PolarHBondContact NH1-OD1 2.98Å; R385-N453 PolarHBondContact NH2-OD1 3.15Å; R385-V485 VanDerWaalsContact NH1-CG1 3.32Å; R385-E543 IonicContact CZ-OE1 3.95Å; R385-E543 IonicContact NH1-OE1 2.95Å; R385-E543 IonicContact NH2-OE1 3.63Å; R385-E543 PolarHBondContact NH2-OE1 2.92Å; R385-L588 HydrophobicContact CB-CD1 4.14Å
386	T	98.8	Very high	98.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	3%	0.034	C	C	.	.			trans	-76.2	57.9	176.5	54.4	0	0	0	0	111.8	F384 H388 Y389 Y391 V406 I407 D408 E409	F384-T386 HydrophobicContact CE2-CG2 3.92Å; T386-H388 WeakPolarHBondContact O-CA 3.46Å; T386-H388 PolarHBondContact O-N 3.07Å; T386-Y389 WeakPolarHBondContact CB-O 3.44Å; T386-Y389 CarbonylContact O-C 3.58Å; T386-Y389 PolarHBondContact O-N 3.02Å; T386-Y391 HydrophobicContact CG2-CD1 4.21Å; T386-Y391 HydrophobicContact CG2-CD2 3.9Å; T386-Y391 HydrophobicContact CG2-CE2 4.24Å; T386-Y391 HydrophobicContact CG2-CG 3.86Å; T386-V406 HydrophobicContact CG2-CG1 3.81Å; T386-I407 PolarHBondContact N-O 3.2Å; T386-I407 VanDerWaalsContact N-O 3.12Å; T386-D408 PolarHBondContact OG1-OD1 3.02Å; T386-E409 PolarHBondContact OG1-N 3.18Å
387	S	97.8	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	124.9	-179	-52.3	0	0	0	0	110.7	N352 K353 H354 R385 Y391	N352-S387 PolarHBondContact OD1-OG 2.81Å; N352-S387 VanDerWaalsContact OD1-OG 3.09Å; K353-S387 WeakPolarHBondContact O-CB 3.29Å; H354-S387 PolarHBondContact CE1-O 2.81Å; H354-S387 PolarHBondContact ND1-O 2.87Å; H354-S387 VanDerWaalsContact ND1-O 3.11Å; R385-S387 PolarHBondContact NE-OG 2.79Å; R385-S387 PolarHBondContact NH2-OG 3.19Å; R385-S387 PolarHBondContact O-N 2.88Å; S387-Y391 PolarHBondContact N-OH 3.44Å; S387-Y391 WeakPolarHBondContact O-CE1 3.13Å; S387-Y391 PolarHBondContact O-OH 3.43Å
388	H	97.9	Very high	98.7	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.037	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	cis	-123	49	-9.9	-63.8	-67.9	0	0	0	109.5	F214 H354 R385 T386 E409 P411 V413 N453 E543 W590	F214-H388 AromaticContact CD1-CD2 3.96Å; F214-H388 HydrophobicContact CE1-CB 4.06Å; F214-H388 AromaticContact CE1-CD2 3.92Å; H354-H388 AromaticContact CE1-CD2 3.8Å; H354-H388 AromaticContact NE2-CD2 3.95Å; R385-H388 PolarHBondContact NH2-CE1 2.66Å; T386-H388 WeakPolarHBondContact O-CA 3.46Å; T386-H388 PolarHBondContact O-N 3.07Å; H388-E409 WeakPolarHBondContact CA-OE1 3.23Å; H388-E409 IonicContact CE1-OE1 3.99Å; H388-E409 IonicContact CG-OE1 3.64Å; H388-E409 IonicContact ND1-OE1 3.61Å; H388-E409 PolarHBondContact ND1-OE1 2.83Å; H388-P411 VanDerWaalsContact O-CA 3.31Å; H388-P411 WeakPolarHBondContact O-CA 3.37Å; H388-V413 HydrophobicContact CB-CB 3.88Å; H388-V413 HydrophobicContact CB-CG1 3.75Å; H388-V413 HydrophobicContact CB-CG2 4.14Å; H388-N453 PolarHBondContact CE1-ND2 3.09Å; H388-N453 PolarHBondContact CE1-OD1 2.93Å; H388-E543 IonicContact CE1-OE1 3.95Å; H388-W590 AromaticContact CE1-CH2 3.84Å; H388-W590 AromaticContact CE1-CZ3 3.85Å; H388-W590 AromaticContact NE2-CH2 3.24Å; H388-W590 WeakPolarHBondContact NE2-CH2 3.41Å; H388-W590 AromaticContact NE2-CZ3 3.74Å
389	Y	98.8	Very high	98.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-171.2	154.7	-174.2	40.7	-97.8	0	0	0	109.3	H153 F214 H354 E355 K362 T386 Y391 E409	H153-Y389 WeakPolarHBondContact CD2-CB 3.48Å; H153-Y389 AromaticContact CD2-CG 3.82Å; H153-Y389 AromaticContact CE1-CD1 3.81Å; H153-Y389 AromaticContact CE1-CD2 3.45Å; H153-Y389 VanDerWaalsContact CE1-CD2 3.45Å; H153-Y389 WeakPolarHBondContact CE1-CD2 3.47Å; H153-Y389 AromaticContact CE1-CE2 3.88Å; H153-Y389 AromaticContact CE1-CG 3.42Å; H153-Y389 VanDerWaalsContact CE1-CG 3.42Å; H153-Y389 AromaticContact CG-CG 3.93Å; H153-Y389 AromaticContact ND1-CD2 3.43Å; H153-Y389 WeakPolarHBondContact ND1-CD2 3.21Å; H153-Y389 AromaticContact ND1-CG 3.69Å; H153-Y389 AromaticContact NE2-CD1 3.73Å; H153-Y389 AromaticContact NE2-CG 3.5Å; F214-Y389 HydrophobicContact CD2-CE1 4.21Å; F214-Y389 HydrophobicContact CE1-CE1 4.46Å; F214-Y389 HydrophobicContact CE2-CD1 4.27Å; F214-Y389 AromaticContact CE2-CE1 3.9Å; F214-Y389 HydrophobicContact CE2-CE1 3.9Å; F214-Y389 HydrophobicContact CZ-CD1 4.08Å; F214-Y389 HydrophobicContact CZ-CE1 4.03Å; H354-Y389 AromaticContact ND1-CE1 3.88Å; H354-Y389 AromaticContact ND1-CZ 3.81Å; H354-Y389 PolarHBondContact ND1-OH 3.3Å; E355-Y389 HydrophobicContact CB-CE2 4.05Å; E355-Y389 HydrophobicContact CG-CE2 4.25Å; E355-Y389 PolarHBondContact O-OH 2.75Å; K362-Y389 WeakPolarHBondContact CE-OH 3.28Å; K362-Y389 PolarHBondContact NZ-OH 2.88Å; T386-Y389 WeakPolarHBondContact CB-O 3.44Å; T386-Y389 CarbonylContact O-C 3.58Å; T386-Y389 PolarHBondContact O-N 3.02Å; Y389-Y391 AromaticContact CD2-CD1 3.92Å; Y389-Y391 HydrophobicContact CD2-CD1 3.92Å; Y389-Y391 AromaticContact CD2-CE1 3.97Å; Y389-Y391 HydrophobicContact CD2-CE1 3.97Å; Y389-Y391 AromaticContact CE2-CD1 3.99Å; Y389-Y391 HydrophobicContact CE2-CD1 3.99Å; Y389-Y391 AromaticContact CE2-CE1 3.82Å; Y389-Y391 HydrophobicContact CE2-CE1 3.82Å; Y389-Y391 WeakPolarHBondContact O-CD1 3.38Å; Y389-Y391 WeakPolarHBondContact O-CE1 3.49Å; Y389-Y391 PolarHBondContact O-N 2.78Å; Y389-E409 CarbonylContact C-O 3.49Å; Y389-E409 WeakPolarHBondContact CA-O 3.37Å
390	P	98.6	Very high	98.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.			trans	-60.3	131.2	178.1	-20.8	32.4	0	0	0	109.9	L154 R222 E409 L436	L154-P390 HydrophobicContact CD2-CB 4.1Å; L154-P390 HydrophobicContact CD2-CG 4.01Å; L154-P390 HydrophobicContact CG-CG 4.39Å; R222-P390 PolarHBondContact NH2-O 3.49Å; P390-E409 VanDerWaalsContact CD-O 3.27Å; P390-E409 WeakPolarHBondContact CD-O 3.37Å; P390-E409 VanDerWaalsContact N-O 3.09Å; P390-L436 HydrophobicContact CB-CD1 3.69Å; P390-L436 HydrophobicContact CG-CD1 3.51Å; P390-L436 HydrophobicContact CG-CD2 4.25Å; P390-L436 HydrophobicContact CG-CG 4.35Å
391	Y	98.8	Very high	98.7	Very high	5 Å²	5	12 Å²	12	2%	0.02	5%	0.051	C	C	.	.			trans	-81.9	176.9	177.9	-68.7	0.8	0	0	0	111.2	R222 K353 H354 E355 F384 T386 S387 Y389 V395 R439	R222-Y391 PolarHBondContact NH1-O 3.49Å; R222-Y391 VanDerWaalsContact NH2-CA 3.35Å; R222-Y391 PolarHBondContact NH2-O 2.83Å; K353-Y391 HydrophobicContact CB-CE2 3.79Å; K353-Y391 WeakPolarHBondContact CB-OH 3.44Å; K353-Y391 PolarHBondContact O-OH 3.28Å; H354-Y391 VanDerWaalsContact CA-OH 3.29Å; H354-Y391 WeakPolarHBondContact CA-OH 3.38Å; H354-Y391 PolarHBondContact N-OH 2.66Å; E355-Y391 HydrophobicContact CG-CD1 3.78Å; E355-Y391 HydrophobicContact CG-CD2 4.28Å; E355-Y391 HydrophobicContact CG-CE1 4.23Å; E355-Y391 HydrophobicContact CG-CG 3.84Å; F384-Y391 HydrophobicContact CE2-CD2 4.21Å; F384-Y391 HydrophobicContact CE2-CE2 4.21Å; T386-Y391 HydrophobicContact CG2-CD1 4.21Å; T386-Y391 HydrophobicContact CG2-CD2 3.9Å; T386-Y391 HydrophobicContact CG2-CE2 4.24Å; T386-Y391 HydrophobicContact CG2-CG 3.86Å; S387-Y391 PolarHBondContact N-OH 3.44Å; S387-Y391 WeakPolarHBondContact O-CE1 3.13Å; S387-Y391 PolarHBondContact O-OH 3.43Å; Y389-Y391 AromaticContact CD2-CD1 3.92Å; Y389-Y391 HydrophobicContact CD2-CD1 3.92Å; Y389-Y391 AromaticContact CD2-CE1 3.97Å; Y389-Y391 HydrophobicContact CD2-CE1 3.97Å; Y389-Y391 AromaticContact CE2-CD1 3.99Å; Y389-Y391 HydrophobicContact CE2-CD1 3.99Å; Y389-Y391 AromaticContact CE2-CE1 3.82Å; Y389-Y391 HydrophobicContact CE2-CE1 3.82Å; Y389-Y391 WeakPolarHBondContact O-CD1 3.38Å; Y389-Y391 WeakPolarHBondContact O-CE1 3.49Å; Y389-Y391 PolarHBondContact O-N 2.78Å; Y391-V395 HydrophobicContact CD2-CG1 4.24Å; Y391-R439 PolarHBondContact O-NH1 3.17Å; Y391-R439 PolarHBondContact O-NH2 3.06Å
392	S	98.6	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.056	C	C	.	.			trans	-58	143.3	177	96	0	0	0	0	111.6	R222 E355 F364 E394 V395	R222-S392 VanDerWaalsContact NH2-N 3.19Å; E355-S392 PolarHBondContact OE1-N 3.31Å; F364-S392 VanDerWaalsContact CD2-OG 3.32Å; F364-S392 WeakPolarHBondContact CD2-OG 3.43Å; F364-S392 WeakPolarHBondContact CE2-OG 3.32Å; S392-E394 WeakPolarHBondContact CB-OE2 3.32Å; S392-E394 PolarHBondContact O-N 2.75Å; S392-E394 VanDerWaalsContact O-N 3.15Å; S392-E394 PolarHBondContact OG-OE2 3.24Å; S392-V395 VanDerWaalsContact O-CB 3.3Å; S392-V395 WeakPolarHBondContact O-CB 3.43Å; S392-V395 PolarHBondContact O-N 2.8Å
393	E	98.7	Very high	98.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	6%	0.055	C	C	.	.	H	α-helix	trans	-56.1	-32.4	-180	-67	107.2	108.6	0	0	111.9	F36 R129 R222 V395 L396 Q397 R439	F36-E393 HydrophobicContact CD2-CB 3.69Å; F36-E393 HydrophobicContact CD2-CG 4.11Å; F36-E393 HydrophobicContact CE2-CB 3.92Å; R129-E393 IonicContact CZ-OE1 2.71Å; R129-E393 IonicContact NH2-OE1 2.82Å; R129-E393 PolarHBondContact NH2-OE1 2.83Å; R222-E393 IonicContact NH1-OE2 3.8Å; E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.32Å; E393-L396 PolarHBondContact O-N 3.3Å; E393-L396 VanDerWaalsContact O-N 3.16Å; E393-Q397 WeakPolarHBondContact O-CG 3.45Å; E393-Q397 PolarHBondContact O-N 3.24Å; E393-R439 HydrophobicContact CG-CG 4.03Å; E393-R439 IonicContact OE2-NH1 3.21Å
394	E	98.8	Very high	98.7	Very high	13 Å²	13	13.1 Å²	13.1	6%	0.061	6%	0.055	C	C	.	.	H	α-helix	trans	-62.6	-32.3	176.4	-56	86	170.6	0	0	112.6	F36 F364 W366 L369 S392 Q397 L398	F36-E394 HydrophobicContact CZ-CG 4.3Å; F364-E394 HydrophobicContact CE2-CB 3.79Å; F364-E394 HydrophobicContact CE2-CG 4.14Å; F364-E394 HydrophobicContact CZ-CB 3.95Å; F364-E394 HydrophobicContact CZ-CG 3.98Å; W366-E394 HydrophobicContact CH2-CB 3.77Å; W366-E394 HydrophobicContact CH2-CG 3.9Å; W366-E394 HydrophobicContact CZ2-CB 4.26Å; W366-E394 HydrophobicContact CZ2-CG 3.92Å; W366-E394 HydrophobicContact CZ3-CB 4.39Å; L369-E394 HydrophobicContact CD2-CB 4.45Å; S392-E394 WeakPolarHBondContact CB-OE2 3.32Å; S392-E394 PolarHBondContact O-N 2.75Å; S392-E394 VanDerWaalsContact O-N 3.15Å; S392-E394 PolarHBondContact OG-OE2 3.24Å; E394-Q397 PolarHBondContact O-N 2.59Å; E394-L398 PolarHBondContact O-N 3.13Å
395	V	98.9	Very high	98.7	Very high	10 Å²	10	13 Å²	13	6%	0.061	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-46.9	173.6	176	0	0	0	0	110.1	L369 F373 F384 Y391 S392 E393 L398 C399	L369-V395 HydrophobicContact CD1-CB 4.43Å; L369-V395 HydrophobicContact CD1-CG2 3.7Å; L369-V395 HydrophobicContact CD2-CG2 4.45Å; F373-V395 HydrophobicContact CE2-CG1 4.38Å; F373-V395 HydrophobicContact CZ-CG1 4.49Å; F384-V395 HydrophobicContact CE2-CG1 4.39Å; F384-V395 HydrophobicContact CZ-CG1 3.74Å; Y391-V395 HydrophobicContact CD2-CG1 4.24Å; S392-V395 VanDerWaalsContact O-CB 3.3Å; S392-V395 WeakPolarHBondContact O-CB 3.43Å; S392-V395 PolarHBondContact O-N 2.8Å; E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.32Å; V395-L398 PolarHBondContact O-N 3.21Å; V395-C399 PolarHBondContact O-N 2.81Å; V395-C399 PolarHBondContact O-SG 3.26Å
396	L	98.8	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.7	-37.4	179.7	-62.9	-176.7	0	0	0	111.6	E393 L398 C399 D400 V406 D440 V446	E393-L396 PolarHBondContact O-N 3.3Å; E393-L396 VanDerWaalsContact O-N 3.16Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.43Å; L396-C399 WeakPolarHBondContact O-CA 3.35Å; L396-C399 WeakPolarHBondContact O-CB 3.45Å; L396-C399 PolarHBondContact O-N 3.07Å; L396-D400 PolarHBondContact O-N 3.23Å; L396-V406 HydrophobicContact CD2-CB 4.36Å; L396-V406 HydrophobicContact CD2-CG1 4.02Å; L396-V406 HydrophobicContact CD2-CG2 4.1Å; L396-D440 HydrophobicContact CD1-CB 3.89Å; L396-D440 WeakPolarHBondContact CD1-OD1 3.27Å; L396-D440 WeakPolarHBondContact CD1-OD2 3.39Å; L396-V446 HydrophobicContact CD1-CG2 4.24Å; L396-V446 HydrophobicContact CD2-CG2 4.12Å
397	Q	98.9	Very high	98.7	Very high	40 Å²	40	13 Å²	13	19%	0.187	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-38.1	172.2	-67.7	175.5	19.1	0	0	112.4	F36 E393 E394 R401	F36-Q397 VanDerWaalsContact CD1-NE2 3.3Å; E393-Q397 WeakPolarHBondContact O-CG 3.45Å; E393-Q397 PolarHBondContact O-N 3.24Å; E394-Q397 PolarHBondContact O-N 2.59Å; Q397-R401 WeakPolarHBondContact O-CG 2.87Å; Q397-R401 PolarHBondContact O-N 2.81Å
398	L	98.8	Very high	98.8	Very high	8 Å²	8	13 Å²	13	4%	0.042	5%	0.054	C	C	.	.	H	α-helix	trans	-70.2	-39.1	171.2	-70.1	-174.5	0	0	0	111.8	W366 L369 M370 F373 E394 V395 L396 D400 R401 Y402	W366-L398 HydrophobicContact CZ3-CD1 4.45Å; L369-L398 HydrophobicContact CD1-CD1 4.07Å; L369-L398 HydrophobicContact CD2-CD1 3.52Å; L369-L398 HydrophobicContact CD2-CG 4.43Å; L369-L398 HydrophobicContact CG-CD1 3.48Å; L369-L398 VanDerWaalsContact CG-CD1 3.48Å; M370-L398 HydrophobicContact SD-CD1 3.73Å; M370-L398 HydrophobicContact SD-CD2 4.25Å; F373-L398 HydrophobicContact CD1-CB 4.2Å; F373-L398 HydrophobicContact CD2-CB 4.33Å; F373-L398 HydrophobicContact CD2-CD1 3.87Å; F373-L398 HydrophobicContact CE1-CB 3.61Å; F373-L398 HydrophobicContact CE2-CB 3.76Å; F373-L398 HydrophobicContact CE2-CD1 3.86Å; F373-L398 HydrophobicContact CE2-CG 4.5Å; F373-L398 HydrophobicContact CG-CD1 4.33Å; F373-L398 HydrophobicContact CZ-CB 3.35Å; F373-L398 HydrophobicContact CZ-CD1 4.31Å; F373-L398 HydrophobicContact CZ-CG 4.5Å; E394-L398 PolarHBondContact O-N 3.13Å; V395-L398 PolarHBondContact O-N 3.21Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.43Å; L398-D400 VanDerWaalsContact C-N 3.27Å; L398-D400 PolarHBondContact O-N 3.32Å; L398-R401 PolarHBondContact O-N 2.92Å; L398-Y402 HydrophobicContact CB-CD2 4.35Å; L398-Y402 HydrophobicContact CD2-CD2 4.3Å; L398-Y402 HydrophobicContact CD2-CE2 3.95Å; L398-Y402 VanDerWaalsContact O-CB 3.26Å; L398-Y402 WeakPolarHBondContact O-CB 3.48Å; L398-Y402 VanDerWaalsContact O-CD2 3.24Å; L398-Y402 WeakPolarHBondContact O-CD2 3.27Å; L398-Y402 PolarHBondContact O-N 2.99Å
399	C	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.1	-43.5	176	-65.6	0	0	0	0	111.8	F373 F384 V395 L396 R401 Y402 G403 I404 V406 A445	F373-C399 VanDerWaalsContact CZ-SG 3.6Å; F384-C399 WeakPolarHBondContact CE1-SG 3.37Å; F384-C399 WeakPolarHBondContact CZ-SG 3.21Å; V395-C399 PolarHBondContact O-N 2.81Å; V395-C399 PolarHBondContact O-SG 3.26Å; L396-C399 WeakPolarHBondContact O-CA 3.35Å; L396-C399 WeakPolarHBondContact O-CB 3.45Å; L396-C399 PolarHBondContact O-N 3.07Å; C399-R401 PolarHBondContact O-N 2.76Å; C399-Y402 PolarHBondContact O-N 2.94Å; C399-G403 PolarHBondContact O-N 2.97Å; C399-I404 HydrophobicContact CB-CB 4.45Å; C399-I404 WeakPolarHBondContact CB-O 3.35Å; C399-I404 PolarHBondContact O-N 2.89Å; C399-V406 HydrophobicContact CB-CG2 3.82Å; C399-V406 VanDerWaalsContact SG-CG2 3.53Å; C399-A445 HydrophobicContact CB-CB 3.46Å; C399-A445 VanDerWaalsContact CB-CB 3.46Å
400	D	98.9	Very high	98.8	Very high	7 Å²	7	12.7 Å²	12.7	4%	0.037	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-48.1	175.6	-68.9	-19.7	0	0	0	111.7	W294 A304 L306 L396 L398 Y402 H443 P444 A445	W294-D400 PolarHBondContact NE1-O 3.23Å; A304-D400 WeakPolarHBondContact CB-O 3.44Å; L306-D400 HydrophobicContact CD1-CB 4.12Å; L306-D400 HydrophobicContact CD2-CB 4.33Å; L396-D400 PolarHBondContact O-N 3.23Å; L398-D400 VanDerWaalsContact C-N 3.27Å; L398-D400 PolarHBondContact O-N 3.32Å; D400-Y402 VanDerWaalsContact C-N 3.33Å; D400-Y402 PolarHBondContact O-N 3.48Å; D400-H443 IonicContact OD1-ND1 3.08Å; D400-H443 IonicContact OD2-CE1 3.38Å; D400-H443 IonicContact OD2-CG 3.59Å; D400-H443 IonicContact OD2-ND1 3.77Å; D400-H443 PolarHBondContact OD2-ND1 3.45Å; D400-P444 HydrophobicContact CB-CG 4.08Å; D400-P444 VanDerWaalsContact CG-CD 3.43Å; D400-P444 WeakPolarHBondContact OD1-CD 3.37Å; D400-P444 WeakPolarHBondContact OD1-CG 3.38Å; D400-A445 WeakPolarHBondContact OD1-CB 3.47Å; D400-A445 PolarHBondContact OD1-N 3.25Å
401	R	98.8	Very high	98.8	Very high	151 Å²	151	13 Å²	13	57%	0.57	6%	0.055	S	C	*	.	H	α-helix	trans	-71.5	-26.6	-177.8	-69.8	179.1	69.3	-138.9	1.5	113.9	A304 L306 Q397 L398 C399	A304-R401 VanDerWaalsContact CB-O 3.24Å; A304-R401 WeakPolarHBondContact CB-O 3.45Å; L306-R401 HydrophobicContact CD1-CB 4.45Å; L306-R401 HydrophobicContact CD1-CG 3.77Å; Q397-R401 WeakPolarHBondContact O-CG 2.87Å; Q397-R401 PolarHBondContact O-N 2.81Å; L398-R401 PolarHBondContact O-N 2.92Å; C399-R401 PolarHBondContact O-N 2.76Å
402	Y	98.7	Very high	98.8	Very high	27 Å²	27	12.7 Å²	12.7	11%	0.106	5%	0.054	C	C	.	.	H	α-helix	trans	-105	0.8	-175.8	-78.7	-97.6	0	0	0	112.6	M370 F373 Y377 L398 C399 D400 I404 F653	M370-Y402 WeakPolarHBondContact CE-OH 3.43Å; F373-Y402 HydrophobicContact CD1-CD1 4.41Å; F373-Y402 HydrophobicContact CD1-CD2 4.2Å; F373-Y402 AromaticContact CD1-CG 3.94Å; F373-Y402 HydrophobicContact CD1-CG 3.94Å; F373-Y402 HydrophobicContact CE1-CG 4.41Å; Y377-Y402 HydrophobicContact CD2-CD1 4.24Å; Y377-Y402 HydrophobicContact CE1-CD1 4.3Å; Y377-Y402 AromaticContact CE2-CD1 3.56Å; Y377-Y402 HydrophobicContact CE2-CD1 3.56Å; Y377-Y402 HydrophobicContact CE2-CG 4.18Å; Y377-Y402 AromaticContact CZ-CD1 3.58Å; Y377-Y402 WeakPolarHBondContact OH-CA 3.42Å; Y377-Y402 PolarHBondContact OH-O 3.08Å; L398-Y402 HydrophobicContact CB-CD2 4.35Å; L398-Y402 HydrophobicContact CD2-CD2 4.3Å; L398-Y402 HydrophobicContact CD2-CE2 3.95Å; L398-Y402 VanDerWaalsContact O-CB 3.26Å; L398-Y402 WeakPolarHBondContact O-CB 3.48Å; L398-Y402 VanDerWaalsContact O-CD2 3.24Å; L398-Y402 WeakPolarHBondContact O-CD2 3.27Å; L398-Y402 PolarHBondContact O-N 2.99Å; C399-Y402 PolarHBondContact O-N 2.94Å; D400-Y402 VanDerWaalsContact C-N 3.33Å; D400-Y402 PolarHBondContact O-N 3.48Å; Y402-I404 PolarHBondContact O-N 3.41Å; Y402-F653 HydrophobicContact CE1-CE1 4.09Å
403	G	98.8	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	21.2	177.7	0	0	0	0	0	113.1	W294 P296 Y297 A304 C399	W294-G403 VanDerWaalsContact CZ2-CA 3.49Å; P296-G403 CarbonylContact C-O 3.39Å; P296-G403 VanDerWaalsContact CA-O 3.28Å; P296-G403 WeakPolarHBondContact CA-O 3.18Å; Y297-G403 PolarHBondContact N-O 2.85Å; A304-G403 VanDerWaalsContact CB-N 3.25Å; C399-G403 PolarHBondContact O-N 2.97Å
404	I	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.056	C	C	.	.			trans	-87.6	119.1	179.8	-58.5	-58.5	0	0	0	108	Y297 F373 Y377 A381 F384 C399 Y402 A445	Y297-I404 HydrophobicContact CD1-CD1 4.07Å; Y297-I404 HydrophobicContact CG-CD1 4.36Å; F373-I404 HydrophobicContact CD1-CG1 4.41Å; F373-I404 HydrophobicContact CE1-CG1 4.17Å; Y377-I404 HydrophobicContact CD2-CD1 4.25Å; Y377-I404 HydrophobicContact CE2-CD1 3.79Å; Y377-I404 HydrophobicContact CE2-CG1 4.17Å; A381-I404 WeakPolarHBondContact O-CD1 3.21Å; F384-I404 HydrophobicContact CD1-CG2 3.53Å; F384-I404 HydrophobicContact CE1-CG2 3.68Å; C399-I404 HydrophobicContact CB-CB 4.45Å; C399-I404 WeakPolarHBondContact CB-O 3.35Å; C399-I404 PolarHBondContact O-N 2.89Å; Y402-I404 PolarHBondContact O-N 3.41Å; I404-A445 VanDerWaalsContact O-CB 3.31Å; I404-A445 WeakPolarHBondContact O-CB 3.45Å
405	V	98.9	Very high	98.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.9	-177.5	168.9	0	0	0	0	110.8	W294 P296 I341 F346 F348 N382 S383 F384 A445 V447	W294-V405 HydrophobicContact CH2-CG2 3.86Å; W294-V405 HydrophobicContact CZ3-CG2 4.13Å; P296-V405 HydrophobicContact CB-CG2 3.76Å; P296-V405 HydrophobicContact CG-CG2 3.62Å; I341-V405 HydrophobicContact CD1-CG2 4Å; F346-V405 HydrophobicContact CE1-CB 4.29Å; F346-V405 HydrophobicContact CE1-CG1 4.04Å; F346-V405 HydrophobicContact CE1-CG2 4.35Å; F346-V405 HydrophobicContact CE2-CG2 4.26Å; F346-V405 HydrophobicContact CZ-CB 3.95Å; F346-V405 HydrophobicContact CZ-CG1 4.2Å; F346-V405 HydrophobicContact CZ-CG2 3.8Å; F348-V405 HydrophobicContact CD1-CG1 4.26Å; F348-V405 HydrophobicContact CE1-CG1 3.6Å; F348-V405 HydrophobicContact CZ-CG1 4.31Å; N382-V405 PolarHBondContact O-N 3.26Å; S383-V405 CarbonylContact C-O 3.54Å; S383-V405 WeakPolarHBondContact CA-O 3.48Å; S383-V405 VanDerWaalsContact CB-O 3.24Å; S383-V405 WeakPolarHBondContact CB-O 3.4Å; F384-V405 PolarHBondContact N-O 2.97Å; V405-A445 CarbonylContact C-O 3.58Å; V405-A445 WeakPolarHBondContact CA-O 3.4Å; V405-V447 HydrophobicContact CG1-CB 4.02Å; V405-V447 HydrophobicContact CG1-CG1 3.65Å; V405-V447 HydrophobicContact CG1-CG2 3.18Å; V405-V447 HydrophobicContact CG2-CG1 4.33Å
406	V	99	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.4	-175	-176.9	0	0	0	0	111	F384 T386 L396 C399 D408 A445 V446 V447	F384-V406 HydrophobicContact CE1-CG2 4.21Å; F384-V406 HydrophobicContact CE2-CG1 4.31Å; F384-V406 HydrophobicContact CE2-CG2 4.18Å; F384-V406 HydrophobicContact CZ-CG2 3.89Å; F384-V406 WeakPolarHBondContact O-CA 3.46Å; T386-V406 HydrophobicContact CG2-CG1 3.81Å; L396-V406 HydrophobicContact CD2-CB 4.36Å; L396-V406 HydrophobicContact CD2-CG1 4.02Å; L396-V406 HydrophobicContact CD2-CG2 4.1Å; C399-V406 HydrophobicContact CB-CG2 3.82Å; C399-V406 VanDerWaalsContact SG-CG2 3.53Å; V406-D408 HydrophobicContact CG1-CB 4.24Å; V406-A445 HydrophobicContact CG2-CB 4.38Å; V406-A445 PolarHBondContact N-O 3.46Å; V406-V446 HydrophobicContact CB-CG2 4.41Å; V406-V447 PolarHBondContact O-N 3Å
407	I	99	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.5	157.1	-57.2	175.4	0	0	0	106	F348 F384 R385 T386 M448 T483 I540 L588	F348-I407 HydrophobicContact CD1-CD1 4.36Å; F348-I407 HydrophobicContact CD1-CG1 4.44Å; F348-I407 HydrophobicContact CE1-CD1 4.19Å; F348-I407 HydrophobicContact CE1-CG1 3.93Å; F384-I407 PolarHBondContact O-N 3.13Å; R385-I407 WeakPolarHBondContact CA-O 3.49Å; R385-I407 HydrophobicContact CB-CB 4.17Å; R385-I407 HydrophobicContact CG-CB 3.98Å; R385-I407 HydrophobicContact CG-CG2 4.02Å; T386-I407 PolarHBondContact N-O 3.2Å; T386-I407 VanDerWaalsContact N-O 3.12Å; I407-M448 WeakPolarHBondContact CA-O 3.42Å; I407-M448 HydrophobicContact CD1-CE 3.57Å; I407-M448 HydrophobicContact CG1-CE 3.8Å; I407-M448 HydrophobicContact CG2-CE 4.13Å; I407-T483 HydrophobicContact CG2-CG2 4.5Å; I407-I540 HydrophobicContact CD1-CD1 4.1Å; I407-L588 HydrophobicContact CD1-CD1 3.89Å
408	D	98.9	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.9	-172.1	-159.4	-2.2	0	0	0	110.3	T386 V406 D440 V446 M448 W449 S450	T386-D408 PolarHBondContact OG1-OD1 3.02Å; V406-D408 HydrophobicContact CG1-CB 4.24Å; D408-D440 VanDerWaalsContact OD2-OD2 3.07Å; D408-V446 HydrophobicContact CB-CG1 3.69Å; D408-V446 HydrophobicContact CB-CG2 4.13Å; D408-M448 PolarHBondContact N-O 3.28Å; D408-W449 HydrophobicContact CB-CE3 3.83Å; D408-W449 HydrophobicContact CB-CZ3 3.78Å; D408-W449 CarbonylContact O-C 3.56Å; D408-W449 WeakPolarHBondContact O-CA 3.49Å; D408-W449 WeakPolarHBondContact OD2-CZ3 3.4Å; D408-S450 PolarHBondContact O-N 2.78Å
409	E	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.6	-168.8	-176.3	159	103.1	0	0	112.1	R385 T386 H388 Y389 P390 S450	R385-E409 WeakPolarHBondContact CD-OE2 3.29Å; R385-E409 HydrophobicContact CG-CB 4.35Å; R385-E409 IonicContact CZ-OE2 3.78Å; R385-E409 IonicContact NE-OE1 3.76Å; R385-E409 IonicContact NE-OE2 2.81Å; T386-E409 PolarHBondContact OG1-N 3.18Å; H388-E409 WeakPolarHBondContact CA-OE1 3.23Å; H388-E409 IonicContact CE1-OE1 3.99Å; H388-E409 IonicContact CG-OE1 3.64Å; H388-E409 IonicContact ND1-OE1 3.61Å; H388-E409 PolarHBondContact ND1-OE1 2.83Å; Y389-E409 CarbonylContact C-O 3.49Å; Y389-E409 WeakPolarHBondContact CA-O 3.37Å; P390-E409 VanDerWaalsContact CD-O 3.27Å; P390-E409 WeakPolarHBondContact CD-O 3.37Å; P390-E409 VanDerWaalsContact N-O 3.09Å; E409-S450 WeakPolarHBondContact CA-O 3.48Å; E409-S450 WeakPolarHBondContact OE2-CB 3.47Å; E409-S450 PolarHBondContact OE2-OG 3.08Å
410	C	98.6	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.			trans	-74.9	168.4	171.5	79.9	0	0	0	0	111.4	G412 H429 V432 M433 L436 S450 V451	C410-G412 PolarHBondContact O-N 3.29Å; C410-H429 PolarHBondContact SG-NE2 3.48Å; C410-V432 HydrophobicContact CB-CG1 4.38Å; C410-M433 HydrophobicContact CB-SD 3.49Å; C410-M433 WeakPolarHBondContact CB-SD 3.39Å; C410-L436 HydrophobicContact CB-CD2 3.73Å; C410-S450 PolarHBondContact N-O 2.84Å; C410-V451 PolarHBondContact SG-O 2.68Å
411	P	98.4	Very high	97.4	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.039	12%	0.117	C	C	.	.	S	Bend	trans	-74.9	24.5	-179.3	33.4	-34.9	0	0	0	115.4	L187 P188 H388 V413 V432	L187-P411 CarbonylContact C-O 3.49Å; L187-P411 HydrophobicContact CB-CB 4.45Å; L187-P411 HydrophobicContact CB-CG 4.05Å; L187-P411 WeakPolarHBondContact O-CB 3.44Å; P188-P411 WeakPolarHBondContact CA-O 3.49Å; H388-P411 VanDerWaalsContact O-CA 3.31Å; H388-P411 WeakPolarHBondContact O-CA 3.37Å; P411-V413 PolarHBondContact O-N 2.91Å; P411-V432 HydrophobicContact CG-CG1 3.9Å
412	G	98.3	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.			trans	-75.7	54.6	-179.2	0	0	0	0	0	114.9	C410 A452 N453	C410-G412 PolarHBondContact O-N 3.29Å; G412-A452 CarbonylContact O-C 3.6Å; G412-A452 WeakPolarHBondContact O-CA 3.25Å; G412-A452 WeakPolarHBondContact O-CB 3.46Å; G412-N453 PolarHBondContact O-N 3.15Å
413	V	98.6	Very high	97.2	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.03	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-117.5	146.2	-177	62.7	0	0	0	0	111.8	P188 P189 F212 F214 H388 P411 N453	P188-V413 HydrophobicContact CB-CG1 3.92Å; P188-V413 VanDerWaalsContact CB-O 3.27Å; P188-V413 WeakPolarHBondContact CB-O 3.44Å; P189-V413 VanDerWaalsContact CD-O 3.24Å; P189-V413 WeakPolarHBondContact CD-O 3.39Å; F212-V413 HydrophobicContact CB-CG1 4.09Å; F212-V413 HydrophobicContact CB-CG2 3.96Å; F214-V413 HydrophobicContact CE1-CG1 3.78Å; F214-V413 HydrophobicContact CZ-CG1 3.97Å; H388-V413 HydrophobicContact CB-CB 3.88Å; H388-V413 HydrophobicContact CB-CG1 3.75Å; H388-V413 HydrophobicContact CB-CG2 4.14Å; P411-V413 PolarHBondContact O-N 2.91Å; V413-N453 HydrophobicContact CB-CB 4.26Å; V413-N453 HydrophobicContact CG2-CB 4.07Å
414	G	97.4	Very high	97.1	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	15%	0.154	C	C	.	.			trans	79.9	18.3	-179.1	0	0	0	0	0	114.4	P189 N211 V416	P189-G414 WeakPolarHBondContact CG-O 3.24Å; N211-G414 VanDerWaalsContact O-CA 3.24Å; N211-G414 WeakPolarHBondContact O-CA 3.27Å; G414-V416 PolarHBondContact O-N 3.13Å
415	I	98.1	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.154	C	C	.	.			trans	-76.4	73.4	176.1	-51.8	174.2	0	0	0	109.6	L187 P189 L421 P455 S456	L187-I415 HydrophobicContact CD2-CD1 4.18Å; P189-I415 HydrophobicContact CG-CG1 4.17Å; I415-L421 HydrophobicContact CG2-CD2 3.52Å; I415-L421 HydrophobicContact CG2-CG 3.79Å; I415-P455 HydrophobicContact CB-CB 4.14Å; I415-P455 WeakPolarHBondContact O-CA 3.33Å; I415-S456 PolarHBondContact O-N 3.12Å
416	V	95.4	Very high	97	Very high	42 Å²	42	28.1 Å²	28.1	26%	0.255	16%	0.157	S	C	.	.			trans	-105.7	-24	-174.3	-55.2	0	0	0	0	114	N211 G414 S456	N211-V416 HydrophobicContact CB-CB 4.44Å; N211-V416 HydrophobicContact CB-CG1 4.02Å; N211-V416 HydrophobicContact CB-CG2 3.52Å; N211-V416 WeakPolarHBondContact ND2-CG2 3.32Å; G414-V416 PolarHBondContact O-N 3.13Å; V416-S456 WeakPolarHBondContact CA-OG 3.44Å; V416-S456 PolarHBondContact O-OG 3.31Å
417	L	93.5	Very high	97	Very high	65 Å²	65	34.8 Å²	34.8	34%	0.34	18%	0.183	S	C	.	.	S	Bend	trans	-94.7	141.4	-177.7	-58.5	179	0	0	0	111	Q419 S420	L417-Q419 HydrophobicContact CB-CG 3.78Å; L417-Q419 HydrophobicContact CD1-CG 4.47Å; L417-Q419 PolarHBondContact O-N 3.26Å; L417-Q419 VanDerWaalsContact O-N 3.12Å; L417-S420 PolarHBondContact O-N 3.06Å
418	P	92.8	Very high	96.9	Very high	79 Å²	79	35.2 Å²	35.2	51%	0.513	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-54.5	-33.8	178.9	-27.1	33.3	0	0	0	114.5	S420 L421 L459	P418-S420 VanDerWaalsContact C-N 3.25Å; P418-S420 PolarHBondContact O-N 2.81Å; P418-L421 PolarHBondContact O-N 3.28Å; P418-L421 VanDerWaalsContact O-N 3.09Å; P418-L459 HydrophobicContact CG-CD1 4.09Å
419	Q	92.5	Very high	96.9	Very high	97 Å²	97	35.2 Å²	35.2	45%	0.453	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-61.8	-28.8	177.2	58.7	-168.6	33.3	0	0	113.7	P184 L417 L421 G422	P184-Q419 HydrophobicContact CB-CG 4.04Å; P184-Q419 HydrophobicContact CG-CG 4.49Å; L417-Q419 HydrophobicContact CB-CG 3.78Å; L417-Q419 HydrophobicContact CD1-CG 4.47Å; L417-Q419 PolarHBondContact O-N 3.26Å; L417-Q419 VanDerWaalsContact O-N 3.12Å; Q419-L421 PolarHBondContact O-N 3.29Å; Q419-G422 PolarHBondContact O-N 3.08Å
420	S	96.2	Very high	96.9	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-80.7	-2.5	176.5	-60.3	0	0	0	0	113.4	P184 P189 L417 P418 S425	P184-S420 WeakPolarHBondContact O-CA 3.38Å; P184-S420 WeakPolarHBondContact O-CB 3.33Å; P184-S420 PolarHBondContact O-OG 2.98Å; P189-S420 WeakPolarHBondContact CB-OG 3.26Å; L417-S420 PolarHBondContact O-N 3.06Å; P418-S420 VanDerWaalsContact C-N 3.25Å; P418-S420 PolarHBondContact O-N 2.81Å; S420-S425 WeakPolarHBondContact O-CB 3.38Å; S420-S425 PolarHBondContact O-OG 3.26Å
421	L	96.4	Very high	96.9	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.047	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-107.3	17	173	-65.7	167.9	0	0	0	112	I415 P418 Q419 L459 P461 A462 Y465 F466	I415-L421 HydrophobicContact CG2-CD2 3.52Å; I415-L421 HydrophobicContact CG2-CG 3.79Å; P418-L421 PolarHBondContact O-N 3.28Å; P418-L421 VanDerWaalsContact O-N 3.09Å; Q419-L421 PolarHBondContact O-N 3.29Å; L421-L459 HydrophobicContact CD1-CB 4.13Å; L421-L459 HydrophobicContact CD1-CD1 3.95Å; L421-P461 HydrophobicContact CB-CB 4.02Å; L421-A462 HydrophobicContact CD1-CB 4.1Å; L421-Y465 HydrophobicContact CB-CD2 4.3Å; L421-Y465 HydrophobicContact CD2-CD1 4Å; L421-Y465 HydrophobicContact CD2-CD2 3.97Å; L421-Y465 HydrophobicContact CD2-CE1 4.34Å; L421-Y465 HydrophobicContact CD2-CE2 4.3Å; L421-Y465 HydrophobicContact CD2-CG 3.82Å; L421-F466 HydrophobicContact CD2-CE2 4.31Å
422	G	95.9	Very high	96.9	Very high	27 Å²	27	39.7 Å²	39.7	28%	0.278	21%	0.206	S	C	.	.	S	Bend	trans	-79.4	171.9	176	0	0	0	0	0	113.4	Q419 E424 S425 L426	Q419-G422 PolarHBondContact O-N 3.08Å; G422-E424 VanDerWaalsContact C-N 3.29Å; G422-E424 PolarHBondContact O-N 2.7Å; G422-S425 PolarHBondContact O-N 3.46Å; G422-L426 WeakPolarHBondContact O-CB 3.24Å; G422-L426 PolarHBondContact O-N 3.17Å
423	N	96.9	Very high	96.9	Very high	130 Å²	130	39.7 Å²	39.7	70%	0.695	21%	0.206	S	C	*	.	H	α-helix	trans	-61.3	-33.8	-177.4	-70.6	-5.9	0	0	0	113.6	L426 R427	N423-L426 PolarHBondContact O-N 3.24Å; N423-R427 WeakPolarHBondContact O-CB 3.1Å; N423-R427 PolarHBondContact O-N 3.31Å
424	E	96.9	Very high	96.9	Very high	104 Å²	104	40.3 Å²	40.3	49%	0.486	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-50.8	177.7	-173.3	175.1	167	0	0	111.1	H185 G422 L426 R427 H428	H185-E424 HydrophobicContact CB-CG 4.1Å; H185-E424 VanDerWaalsContact CD2-CD 3.47Å; H185-E424 IonicContact CD2-OE1 3.4Å; H185-E424 PolarHBondContact CD2-OE1 3.27Å; H185-E424 IonicContact CD2-OE2 3.64Å; H185-E424 IonicContact CE1-OE2 2.98Å; H185-E424 IonicContact CG-OE1 2.86Å; H185-E424 IonicContact CG-OE2 3.85Å; H185-E424 IonicContact NE2-OE2 2.88Å; G422-E424 VanDerWaalsContact C-N 3.29Å; G422-E424 PolarHBondContact O-N 2.7Å; E424-L426 VanDerWaalsContact C-N 3.28Å; E424-L426 PolarHBondContact O-N 3.29Å; E424-R427 PolarHBondContact O-N 3.01Å; E424-H428 PolarHBondContact O-N 2.95Å
425	S	97.8	Very high	97	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-33.3	174.4	-48.9	0	0	0	0	112.1	P184 H185 S420 G422 H429 Y465	P184-S425 PolarHBondContact O-OG 2.88Å; P184-S425 VanDerWaalsContact O-OG 3.05Å; H185-S425 WeakPolarHBondContact CA-OG 3.39Å; H185-S425 PolarHBondContact ND1-OG 3.43Å; S420-S425 WeakPolarHBondContact O-CB 3.38Å; S420-S425 PolarHBondContact O-OG 3.26Å; G422-S425 PolarHBondContact O-N 3.46Å; S425-H429 WeakPolarHBondContact O-CB 3.43Å; S425-H429 PolarHBondContact O-N 3.42Å; S425-Y465 PolarHBondContact O-OH 3.48Å
426	L	98.4	Very high	97	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-45.8	175.1	179.4	57.7	0	0	0	111.3	G422 N423 E424 H428 H429 L430 Y464 Y465 T468	G422-L426 WeakPolarHBondContact O-CB 3.24Å; G422-L426 PolarHBondContact O-N 3.17Å; N423-L426 PolarHBondContact O-N 3.24Å; E424-L426 VanDerWaalsContact C-N 3.28Å; E424-L426 PolarHBondContact O-N 3.29Å; L426-H428 PolarHBondContact O-N 3.26Å; L426-H429 PolarHBondContact O-N 3.4Å; L426-L430 HydrophobicContact CD1-CD1 4.48Å; L426-L430 HydrophobicContact CD1-CG 4.35Å; L426-L430 HydrophobicContact CG-CD1 4.27Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 3.28Å; L426-Y464 HydrophobicContact CD2-CE1 4.12Å; L426-Y465 VanDerWaalsContact CA-CE2 3.44Å; L426-Y465 HydrophobicContact CB-CD2 3.77Å; L426-Y465 HydrophobicContact CB-CE2 3.52Å; L426-Y465 HydrophobicContact CD1-CD1 4.25Å; L426-Y465 HydrophobicContact CD1-CD2 3.83Å; L426-Y465 HydrophobicContact CD1-CE1 4.25Å; L426-Y465 HydrophobicContact CD1-CE2 3.85Å; L426-Y465 HydrophobicContact CD1-CG 4.02Å; L426-Y465 HydrophobicContact CD2-CD2 4.48Å; L426-Y465 HydrophobicContact CG-CD2 4.22Å; L426-Y465 HydrophobicContact CG-CE2 4.24Å; L426-T468 HydrophobicContact CD2-CG2 4.27Å
427	R	98	Very high	97.1	Very high	140 Å²	140	39.1 Å²	39.1	53%	0.528	20%	0.199	S	C	.	.	H	α-helix	trans	-58.6	-48.7	177.3	-179.8	178.3	62	88.1	-0.4	110.9	N423 E424 H429 L430 E431	N423-R427 WeakPolarHBondContact O-CB 3.1Å; N423-R427 PolarHBondContact O-N 3.31Å; E424-R427 PolarHBondContact O-N 3.01Å; R427-H429 VanDerWaalsContact C-N 3.3Å; R427-H429 PolarHBondContact O-N 3.42Å; R427-L430 WeakPolarHBondContact O-CB 3.17Å; R427-L430 PolarHBondContact O-N 3.03Å; R427-E431 WeakPolarHBondContact CG-OE1 3.26Å; R427-E431 IonicContact CZ-OE1 3.7Å; R427-E431 IonicContact NH1-OE1 3.61Å; R427-E431 PolarHBondContact NH1-OE1 3.34Å; R427-E431 WeakPolarHBondContact O-CG 3.27Å; R427-E431 PolarHBondContact O-N 3.47Å; R427-E431 VanDerWaalsContact O-N 3.09Å
428	H	97.9	Very high	97.4	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.046	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-40.4	176.3	-173.3	53.1	0	0	0	112.3	Y135 H185 E424 L426 L430 E431 V432	Y135-H428 AromaticContact CZ-NE2 3.96Å; Y135-H428 PolarHBondContact OH-CD2 3.32Å; Y135-H428 PolarHBondContact OH-NE2 3.13Å; H185-H428 PolarHBondContact O-CD2 3.45Å; E424-H428 PolarHBondContact O-N 2.95Å; L426-H428 PolarHBondContact O-N 3.26Å; H428-L430 PolarHBondContact O-N 3.31Å; H428-E431 PolarHBondContact O-N 3.05Å; H428-V432 WeakPolarHBondContact O-CG2 3.27Å; H428-V432 PolarHBondContact O-N 2.99Å
429	H	98.7	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-36.4	176.8	-152.2	156	0	0	0	113.5	L187 C410 S425 L426 R427 V432 M433 V451 Y465 L469	L187-H429 VanDerWaalsContact CD1-CA 3.41Å; L187-H429 HydrophobicContact CD1-CB 3.6Å; L187-H429 VanDerWaalsContact CD1-CG 3.49Å; C410-H429 PolarHBondContact SG-NE2 3.48Å; S425-H429 WeakPolarHBondContact O-CB 3.43Å; S425-H429 PolarHBondContact O-N 3.42Å; L426-H429 PolarHBondContact O-N 3.4Å; R427-H429 VanDerWaalsContact C-N 3.3Å; R427-H429 PolarHBondContact O-N 3.42Å; H429-V432 PolarHBondContact O-N 3.26Å; H429-M433 WeakPolarHBondContact O-CG 3.46Å; H429-M433 PolarHBondContact O-N 3.26Å; H429-V451 PolarHBondContact CE1-O 3.33Å; H429-V451 PolarHBondContact NE2-O 3.5Å; H429-Y465 VanDerWaalsContact CB-OH 3.27Å; H429-Y465 WeakPolarHBondContact CB-OH 3.31Å; H429-Y465 AromaticContact ND1-CE1 3.6Å; H429-Y465 AromaticContact ND1-CZ 3.65Å; H429-Y465 PolarHBondContact ND1-OH 2.92Å; H429-L469 HydrophobicContact CB-CD1 4.17Å; H429-L469 WeakPolarHBondContact CE1-CD2 3.08Å; H429-L469 WeakPolarHBondContact ND1-CD2 3.28Å
430	L	98.6	Very high	98	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.147	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-47.2	173.5	-65.1	166.4	0	0	0	110.2	L426 R427 H428 V432 M433 E434 L469 H472	L426-L430 HydrophobicContact CD1-CD1 4.48Å; L426-L430 HydrophobicContact CD1-CG 4.35Å; L426-L430 HydrophobicContact CG-CD1 4.27Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 3.28Å; R427-L430 WeakPolarHBondContact O-CB 3.17Å; R427-L430 PolarHBondContact O-N 3.03Å; H428-L430 PolarHBondContact O-N 3.31Å; L430-V432 VanDerWaalsContact C-N 3.35Å; L430-V432 PolarHBondContact O-N 2.94Å; L430-M433 PolarHBondContact O-N 2.91Å; L430-M433 VanDerWaalsContact O-N 3.11Å; L430-E434 WeakPolarHBondContact O-CG 3.16Å; L430-E434 PolarHBondContact O-N 2.92Å; L430-L469 HydrophobicContact CD2-CD1 3.92Å; L430-L469 HydrophobicContact CG-CD1 4.49Å; L430-H472 HydrophobicContact CD2-CB 3.51Å; L430-H472 VanDerWaalsContact CD2-CG 3.49Å
431	E	97.7	Very high	98.1	Very high	70 Å²	70	31.4 Å²	31.4	33%	0.327	15%	0.151	S	C	.	.	H	α-helix	trans	-56.7	-45.9	176.5	-67.7	167.7	-164.6	0	0	111.5	R427 H428 M433 E434 E435	R427-E431 WeakPolarHBondContact CG-OE1 3.26Å; R427-E431 IonicContact CZ-OE1 3.7Å; R427-E431 IonicContact NH1-OE1 3.61Å; R427-E431 PolarHBondContact NH1-OE1 3.34Å; R427-E431 WeakPolarHBondContact O-CG 3.27Å; R427-E431 PolarHBondContact O-N 3.47Å; R427-E431 VanDerWaalsContact O-N 3.09Å; H428-E431 PolarHBondContact O-N 3.05Å; E431-M433 VanDerWaalsContact C-N 3.35Å; E431-M433 PolarHBondContact O-N 2.98Å; E431-E434 WeakPolarHBondContact O-CB 3.36Å; E431-E434 PolarHBondContact O-N 2.92Å; E431-E435 PolarHBondContact O-N 3.38Å
432	V	98.5	Very high	98.2	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-37.3	176.4	170.5	0	0	0	0	112.6	L154 L187 C410 P411 H428 H429 L430 E435 L436	L154-V432 HydrophobicContact CD1-CG1 4.1Å; L187-V432 HydrophobicContact CD1-CB 4.32Å; L187-V432 HydrophobicContact CD1-CG2 4.13Å; C410-V432 HydrophobicContact CB-CG1 4.38Å; P411-V432 HydrophobicContact CG-CG1 3.9Å; H428-V432 WeakPolarHBondContact O-CG2 3.27Å; H428-V432 PolarHBondContact O-N 2.99Å; H429-V432 PolarHBondContact O-N 3.26Å; L430-V432 VanDerWaalsContact C-N 3.35Å; L430-V432 PolarHBondContact O-N 2.94Å; V432-E435 PolarHBondContact O-N 2.82Å; V432-L436 WeakPolarHBondContact O-CB 3.43Å; V432-L436 PolarHBondContact O-N 3.13Å
433	M	98.8	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.6	-35.6	174.8	-74.2	-53.1	-53.1	0	0	112.2	C410 H429 L430 E431 L436 V437 V451 L469 T473	C410-M433 HydrophobicContact CB-SD 3.49Å; C410-M433 WeakPolarHBondContact CB-SD 3.39Å; H429-M433 WeakPolarHBondContact O-CG 3.46Å; H429-M433 PolarHBondContact O-N 3.26Å; L430-M433 PolarHBondContact O-N 2.91Å; L430-M433 VanDerWaalsContact O-N 3.11Å; E431-M433 VanDerWaalsContact C-N 3.35Å; E431-M433 PolarHBondContact O-N 2.98Å; M433-L436 HydrophobicContact CE-CD2 4.08Å; M433-L436 HydrophobicContact SD-CD2 4.18Å; M433-V437 HydrophobicContact CE-CG2 4.3Å; M433-V437 WeakPolarHBondContact O-CB 3.34Å; M433-V437 WeakPolarHBondContact O-CG2 3.34Å; M433-V437 PolarHBondContact O-N 2.95Å; M433-V451 HydrophobicContact CE-CG1 4.02Å; M433-V451 HydrophobicContact SD-CB 4.39Å; M433-V451 HydrophobicContact SD-CG1 4.11Å; M433-L469 HydrophobicContact CB-CD1 4.41Å; M433-L469 HydrophobicContact CG-CD1 3.61Å; M433-L469 HydrophobicContact CG-CG 4.4Å; M433-T473 HydrophobicContact CE-CG2 3.59Å
434	E	98.6	Very high	98.4	Very high	17 Å²	17	25.9 Å²	25.9	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-46.1	170.9	-66.7	-175.6	-171.5	0	0	110.9	L30 L430 E431 R438 H472 L476	L30-E434 HydrophobicContact CD1-CB 3.54Å; L30-E434 HydrophobicContact CG-CB 4.25Å; L30-E434 PolarHBondContact N-OE2 3.37Å; L430-E434 WeakPolarHBondContact O-CG 3.16Å; L430-E434 PolarHBondContact O-N 2.92Å; E431-E434 WeakPolarHBondContact O-CB 3.36Å; E431-E434 PolarHBondContact O-N 2.92Å; E434-R438 WeakPolarHBondContact O-CB 3.32Å; E434-R438 PolarHBondContact O-N 3.02Å; E434-H472 VanDerWaalsContact CG-NE2 3.29Å; E434-H472 WeakPolarHBondContact CG-NE2 3.37Å; E434-H472 IonicContact OE1-CE1 3.61Å; E434-H472 PolarHBondContact OE1-CE1 3.15Å; E434-H472 VanDerWaalsContact OE1-CE1 3.24Å; E434-H472 IonicContact OE1-NE2 2.92Å; E434-H472 PolarHBondContact OE1-NE2 3.39Å; E434-L476 HydrophobicContact CB-CD1 4.36Å; E434-L476 HydrophobicContact CG-CD1 3.91Å; E434-L476 HydrophobicContact CG-CD2 4.07Å
435	E	98.6	Very high	98.5	Very high	17 Å²	17	20.9 Å²	20.9	8%	0.079	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-45.8	177.7	-72.6	-173.1	-101.3	0	0	112.7	L30 H149 L154 E431 V432 R438 R439	L30-E435 HydrophobicContact CD1-CB 4.2Å; L30-E435 HydrophobicContact CD1-CG 3.41Å; L30-E435 VanDerWaalsContact CD1-CG 3.41Å; L30-E435 HydrophobicContact CD2-CG 4.42Å; H149-E435 IonicContact CD2-OE2 3.62Å; H149-E435 IonicContact CE1-OE2 2.68Å; H149-E435 IonicContact NE2-OE1 3.5Å; H149-E435 IonicContact NE2-OE2 3.54Å; H149-E435 PolarHBondContact NE2-OE2 2.96Å; L154-E435 HydrophobicContact CB-CB 4.43Å; L154-E435 HydrophobicContact CD1-CB 3.51Å; L154-E435 HydrophobicContact CG-CB 4.4Å; E431-E435 PolarHBondContact O-N 3.38Å; V432-E435 PolarHBondContact O-N 2.82Å; E435-R438 PolarHBondContact O-N 2.86Å; E435-R439 WeakPolarHBondContact O-CB 3.44Å; E435-R439 PolarHBondContact O-N 3.4Å
436	L	98.8	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-54.7	179	175.6	55.5	0	0	0	111.3	L154 P390 C410 V432 M433 R438 R439 D440 W449	L154-L436 HydrophobicContact CD1-CB 4.5Å; L154-L436 HydrophobicContact CD2-CD1 4.45Å; P390-L436 HydrophobicContact CB-CD1 3.69Å; P390-L436 HydrophobicContact CG-CD1 3.51Å; P390-L436 HydrophobicContact CG-CD2 4.25Å; P390-L436 HydrophobicContact CG-CG 4.35Å; C410-L436 HydrophobicContact CB-CD2 3.73Å; V432-L436 WeakPolarHBondContact O-CB 3.43Å; V432-L436 PolarHBondContact O-N 3.13Å; M433-L436 HydrophobicContact CE-CD2 4.08Å; M433-L436 HydrophobicContact SD-CD2 4.18Å; L436-R438 VanDerWaalsContact C-N 3.33Å; L436-R438 PolarHBondContact O-N 2.73Å; L436-R439 PolarHBondContact O-N 3.31Å; L436-D440 VanDerWaalsContact CD1-OD2 3.26Å; L436-D440 WeakPolarHBondContact CD1-OD2 3.09Å; L436-D440 PolarHBondContact O-N 3.26Å; L436-W449 HydrophobicContact CD1-CZ3 4.29Å; L436-W449 HydrophobicContact CD2-CE3 4.28Å; L436-W449 HydrophobicContact CD2-CZ3 4.48Å; L436-W449 HydrophobicContact CG-CE3 4.23Å; L436-W449 HydrophobicContact CG-CZ3 3.98Å
437	V	98.8	Very high	98.6	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.03	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-41	-179.5	176.8	0	0	0	0	110.4	M433 R439 D440 K441 W449 T473 L476 D477	M433-V437 HydrophobicContact CE-CG2 4.3Å; M433-V437 WeakPolarHBondContact O-CB 3.34Å; M433-V437 WeakPolarHBondContact O-CG2 3.34Å; M433-V437 PolarHBondContact O-N 2.95Å; V437-R439 VanDerWaalsContact C-N 3.27Å; V437-R439 PolarHBondContact O-N 3.44Å; V437-D440 PolarHBondContact O-N 2.96Å; V437-K441 HydrophobicContact CG1-CB 4.39Å; V437-K441 WeakPolarHBondContact O-CA 3.49Å; V437-K441 WeakPolarHBondContact O-CB 3.31Å; V437-K441 WeakPolarHBondContact O-CG 3.24Å; V437-K441 PolarHBondContact O-N 2.79Å; V437-W449 HydrophobicContact CG1-CZ2 4.31Å; V437-W449 HydrophobicContact CG2-CD2 4.17Å; V437-W449 HydrophobicContact CG2-CE3 4.43Å; V437-W449 HydrophobicContact CG2-CH2 4.47Å; V437-W449 HydrophobicContact CG2-CZ2 4.2Å; V437-T473 HydrophobicContact CG2-CG2 4.33Å; V437-L476 HydrophobicContact CB-CB 4.24Å; V437-L476 HydrophobicContact CB-CD1 4.3Å; V437-L476 HydrophobicContact CG1-CB 3.89Å; V437-L476 HydrophobicContact CG2-CB 4.41Å; V437-L476 HydrophobicContact CG2-CD1 4.27Å; V437-D477 HydrophobicContact CG1-CB 3.79Å
438	R	98.4	Very high	98.7	Very high	39 Å²	39	13.6 Å²	13.6	15%	0.147	6%	0.063	C	C	.	.	H	α-helix	trans	-56.6	-42.4	176	178.2	176.6	64.4	163	-3.5	111.9	G32 M34 E434 E435 L436 K441	G32-R438 PolarHBondContact O-NH1 2.77Å; M34-R438 HydrophobicContact CB-CG 4.31Å; E434-R438 WeakPolarHBondContact O-CB 3.32Å; E434-R438 PolarHBondContact O-N 3.02Å; E435-R438 PolarHBondContact O-N 2.86Å; L436-R438 VanDerWaalsContact C-N 3.33Å; L436-R438 PolarHBondContact O-N 2.73Å; R438-K441 WeakPolarHBondContact O-CE 3.42Å
439	R	98.7	Very high	98.7	Very high	20 Å²	20	13.1 Å²	13.1	8%	0.075	6%	0.06	C	C	.	.	H	α-helix	trans	-68.9	-45.4	179.7	-166.7	-171.8	72.5	158.2	3.2	111.7	H153 P155 R222 Y391 E393 E435 L436 V437	H153-R439 PolarHBondContact O-NH1 2.97Å; P155-R439 HydrophobicContact CG-CG 4.24Å; R222-R439 VanDerWaalsContact NH1-NH1 3.12Å; Y391-R439 PolarHBondContact O-NH1 3.17Å; Y391-R439 PolarHBondContact O-NH2 3.06Å; E393-R439 HydrophobicContact CG-CG 4.03Å; E393-R439 IonicContact OE2-NH1 3.21Å; E435-R439 WeakPolarHBondContact O-CB 3.44Å; E435-R439 PolarHBondContact O-N 3.4Å; L436-R439 PolarHBondContact O-N 3.31Å; V437-R439 VanDerWaalsContact C-N 3.27Å; V437-R439 PolarHBondContact O-N 3.44Å
440	D	98.9	Very high	98.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-111.5	-3	-160.9	-61.5	-23.3	0	0	0	115.4	L396 D408 L436 V437 N442 H443 W449	L396-D440 HydrophobicContact CD1-CB 3.89Å; L396-D440 WeakPolarHBondContact CD1-OD1 3.27Å; L396-D440 WeakPolarHBondContact CD1-OD2 3.39Å; D408-D440 VanDerWaalsContact OD2-OD2 3.07Å; L436-D440 VanDerWaalsContact CD1-OD2 3.26Å; L436-D440 WeakPolarHBondContact CD1-OD2 3.09Å; L436-D440 PolarHBondContact O-N 3.26Å; V437-D440 PolarHBondContact O-N 2.96Å; D440-N442 PolarHBondContact O-N 3.28Å; D440-H443 PolarHBondContact O-N 2.74Å; D440-H443 IonicContact OD1-CD2 2.94Å; D440-W449 HydrophobicContact CB-CH2 3.77Å; D440-W449 HydrophobicContact CB-CZ3 4.07Å
441	K	98.7	Very high	98.7	Very high	26 Å²	26	11.8 Å²	11.8	11%	0.113	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-31.6	-178.3	56	-173.2	177.6	-179.4	0	115.6	D236 I237 T238 V437 R438 R480	D236-K441 WeakPolarHBondContact OD1-CE 3.4Å; D236-K441 IonicContact OD1-NZ 3.67Å; D236-K441 PolarHBondContact OD1-NZ 3.36Å; D236-K441 IonicContact OD2-NZ 3.49Å; D236-K441 PolarHBondContact OD2-NZ 2.81Å; I237-K441 WeakPolarHBondContact O-CE 3.36Å; T238-K441 HydrophobicContact CG2-CD 4.21Å; T238-K441 PolarHBondContact OG1-NZ 2.95Å; V437-K441 HydrophobicContact CG1-CB 4.39Å; V437-K441 WeakPolarHBondContact O-CA 3.49Å; V437-K441 WeakPolarHBondContact O-CB 3.31Å; V437-K441 WeakPolarHBondContact O-CG 3.24Å; V437-K441 PolarHBondContact O-N 2.79Å; R438-K441 WeakPolarHBondContact O-CE 3.42Å; K441-R480 VanDerWaalsContact O-CZ 3.31Å; K441-R480 PolarHBondContact O-NH1 2.9Å; K441-R480 PolarHBondContact O-NH2 3.29Å
442	N	98.9	Very high	98.8	Very high	23 Å²	23	8.4 Å²	8.4	12%	0.123	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.4	-173.6	-64.2	-37.3	0	0	0	114.2	I237 V239 L325 D440 P444	I237-N442 PolarHBondContact O-ND2 2.97Å; V239-N442 PolarHBondContact N-OD1 2.66Å; L325-N442 HydrophobicContact CD1-CB 4.28Å; L325-N442 HydrophobicContact CD2-CB 4.07Å; D440-N442 PolarHBondContact O-N 3.28Å; N442-P444 WeakPolarHBondContact O-CD 3.46Å
443	H	98.9	Very high	98.8	Very high	24 Å²	24	8.5 Å²	8.5	11%	0.111	4%	0.038	C	C	.	.			trans	-74.2	114.9	-179.3	-73.5	-64.8	0	0	0	111	R330 D400 D440 A445 V446 R480	R330-H443 PolarHBondContact NH2-O 3.47Å; D400-H443 IonicContact OD1-ND1 3.08Å; D400-H443 IonicContact OD2-CE1 3.38Å; D400-H443 IonicContact OD2-CG 3.59Å; D400-H443 IonicContact OD2-ND1 3.77Å; D400-H443 PolarHBondContact OD2-ND1 3.45Å; D440-H443 PolarHBondContact O-N 2.74Å; D440-H443 IonicContact OD1-CD2 2.94Å; H443-A445 PolarHBondContact O-N 2.78Å; H443-V446 HydrophobicContact CB-CB 4.34Å; H443-V446 HydrophobicContact CB-CG2 3.82Å; H443-V446 PolarHBondContact O-N 3.18Å; H443-R480 PolarHBondContact O-NH2 3.3Å
444	P	98.9	Very high	98.8	Very high	3 Å²	3	11 Å²	11	2%	0.019	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.7	173.2	24	-36.1	0	0	0	112.7	W294 L306 R330 D400 N442 V446	W294-P444 HydrophobicContact CD2-CB 4Å; W294-P444 HydrophobicContact CG-CB 3.99Å; W294-P444 HydrophobicContact CG-CG 4.37Å; L306-P444 HydrophobicContact CD2-CG 3.86Å; R330-P444 HydrophobicContact CG-CB 4.15Å; R330-P444 PolarHBondContact NE-O 3.03Å; R330-P444 PolarHBondContact NH2-O 2.65Å; D400-P444 HydrophobicContact CB-CG 4.08Å; D400-P444 VanDerWaalsContact CG-CD 3.43Å; D400-P444 WeakPolarHBondContact OD1-CD 3.37Å; D400-P444 WeakPolarHBondContact OD1-CG 3.38Å; N442-P444 WeakPolarHBondContact O-CD 3.46Å; P444-V446 VanDerWaalsContact C-N 3.32Å; P444-V446 PolarHBondContact O-N 3.14Å
445	A	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.6	178.1	0	0	0	0	0	113.7	W294 C399 D400 I404 V405 V406 H443 V447	W294-A445 HydrophobicContact CH2-CB 4.44Å; W294-A445 HydrophobicContact CZ2-CB 4.13Å; C399-A445 HydrophobicContact CB-CB 3.46Å; C399-A445 VanDerWaalsContact CB-CB 3.46Å; D400-A445 WeakPolarHBondContact OD1-CB 3.47Å; D400-A445 PolarHBondContact OD1-N 3.25Å; I404-A445 VanDerWaalsContact O-CB 3.31Å; I404-A445 WeakPolarHBondContact O-CB 3.45Å; V405-A445 CarbonylContact C-O 3.58Å; V405-A445 WeakPolarHBondContact CA-O 3.4Å; V406-A445 HydrophobicContact CG2-CB 4.38Å; V406-A445 PolarHBondContact N-O 3.46Å; H443-A445 PolarHBondContact O-N 2.78Å; A445-V447 PolarHBondContact O-N 3.39Å
446	V	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.6	174.1	179.4	0	0	0	0	107.8	R330 L396 V406 D408 H443 P444 W449 R480	R330-V446 PolarHBondContact NH2-O 2.9Å; L396-V446 HydrophobicContact CD1-CG2 4.24Å; L396-V446 HydrophobicContact CD2-CG2 4.12Å; V406-V446 HydrophobicContact CB-CG2 4.41Å; D408-V446 HydrophobicContact CB-CG1 3.69Å; D408-V446 HydrophobicContact CB-CG2 4.13Å; H443-V446 HydrophobicContact CB-CB 4.34Å; H443-V446 HydrophobicContact CB-CG2 3.82Å; H443-V446 PolarHBondContact O-N 3.18Å; P444-V446 VanDerWaalsContact C-N 3.32Å; P444-V446 PolarHBondContact O-N 3.14Å; V446-W449 HydrophobicContact CG1-CD2 4.43Å; V446-W449 HydrophobicContact CG1-CE3 4.17Å; V446-W449 HydrophobicContact CG1-CH2 3.8Å; V446-W449 HydrophobicContact CG1-CZ2 4.07Å; V446-W449 HydrophobicContact CG1-CZ3 3.86Å; V446-R480 WeakPolarHBondContact O-CD 3.24Å; V446-R480 PolarHBondContact O-NE 3.01Å
447	V	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-11.1	-179.2	-58.9	0	0	0	0	113.4	V332 F339 I341 F348 V405 V406 A445 P481	V332-V447 HydrophobicContact CG1-CB 4.41Å; V332-V447 HydrophobicContact CG2-CB 3.98Å; V332-V447 HydrophobicContact CG2-CG1 3.97Å; F339-V447 HydrophobicContact CE1-CB 4.16Å; F339-V447 HydrophobicContact CE1-CG2 4.02Å; F339-V447 HydrophobicContact CZ-CB 3.9Å; F339-V447 HydrophobicContact CZ-CG2 3.67Å; I341-V447 HydrophobicContact CD1-CG1 4.12Å; F348-V447 HydrophobicContact CE1-CG2 3.89Å; F348-V447 HydrophobicContact CZ-CG2 3.8Å; V405-V447 HydrophobicContact CG1-CB 4.02Å; V405-V447 HydrophobicContact CG1-CG1 3.65Å; V405-V447 HydrophobicContact CG1-CG2 3.18Å; V405-V447 HydrophobicContact CG2-CG1 4.33Å; V406-V447 PolarHBondContact O-N 3Å; A445-V447 PolarHBondContact O-N 3.39Å; V447-P481 VanDerWaalsContact O-CD 3.24Å; V447-P481 WeakPolarHBondContact O-CD 3.45Å; V447-P481 WeakPolarHBondContact O-CG 3.45Å
448	M	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	138.1	-178.6	-174.4	160.4	62	0	0	110	F339 I407 D408 P481 T483 V501 I540	F339-M448 HydrophobicContact CE2-SD 4.26Å; I407-M448 WeakPolarHBondContact CA-O 3.42Å; I407-M448 HydrophobicContact CD1-CE 3.57Å; I407-M448 HydrophobicContact CG1-CE 3.8Å; I407-M448 HydrophobicContact CG2-CE 4.13Å; D408-M448 PolarHBondContact N-O 3.28Å; M448-P481 WeakPolarHBondContact CA-O 3.43Å; M448-P481 HydrophobicContact CB-CG 4.06Å; M448-P481 HydrophobicContact CG-CB 4.32Å; M448-P481 HydrophobicContact CG-CG 3.95Å; M448-P481 WeakPolarHBondContact CG-O 3.41Å; M448-P481 HydrophobicContact SD-CB 4.33Å; M448-P481 HydrophobicContact SD-CG 4.11Å; M448-T483 HydrophobicContact CE-CG2 3.86Å; M448-T483 HydrophobicContact CG-CG2 3.99Å; M448-T483 HydrophobicContact SD-CG2 3.87Å; M448-V501 HydrophobicContact CE-CB 4.38Å; M448-V501 HydrophobicContact CE-CG1 4.46Å; M448-V501 HydrophobicContact SD-CB 3.71Å; M448-V501 HydrophobicContact SD-CG1 4.38Å; M448-V501 HydrophobicContact SD-CG2 3.67Å; M448-I540 HydrophobicContact CE-CD1 3.81Å
449	W	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.5	174.7	-56.1	110.2	0	0	0	110.4	D408 L436 V437 D440 V446 T473 D477 P481 V482 T483	D408-W449 HydrophobicContact CB-CE3 3.83Å; D408-W449 HydrophobicContact CB-CZ3 3.78Å; D408-W449 CarbonylContact O-C 3.56Å; D408-W449 WeakPolarHBondContact O-CA 3.49Å; D408-W449 WeakPolarHBondContact OD2-CZ3 3.4Å; L436-W449 HydrophobicContact CD1-CZ3 4.29Å; L436-W449 HydrophobicContact CD2-CE3 4.28Å; L436-W449 HydrophobicContact CD2-CZ3 4.48Å; L436-W449 HydrophobicContact CG-CE3 4.23Å; L436-W449 HydrophobicContact CG-CZ3 3.98Å; V437-W449 HydrophobicContact CG1-CZ2 4.31Å; V437-W449 HydrophobicContact CG2-CD2 4.17Å; V437-W449 HydrophobicContact CG2-CE3 4.43Å; V437-W449 HydrophobicContact CG2-CH2 4.47Å; V437-W449 HydrophobicContact CG2-CZ2 4.2Å; D440-W449 HydrophobicContact CB-CH2 3.77Å; D440-W449 HydrophobicContact CB-CZ3 4.07Å; V446-W449 HydrophobicContact CG1-CD2 4.43Å; V446-W449 HydrophobicContact CG1-CE3 4.17Å; V446-W449 HydrophobicContact CG1-CH2 3.8Å; V446-W449 HydrophobicContact CG1-CZ2 4.07Å; V446-W449 HydrophobicContact CG1-CZ3 3.86Å; W449-T473 HydrophobicContact CB-CG2 3.91Å; W449-T473 HydrophobicContact CG-CG2 4.01Å; W449-D477 PolarHBondContact NE1-OD2 3.4Å; W449-P481 PolarHBondContact N-O 3.39Å; W449-P481 VanDerWaalsContact N-O 3.1Å; W449-V482 HydrophobicContact CB-CG2 4.39Å; W449-V482 CarbonylContact O-C 3.57Å; W449-V482 WeakPolarHBondContact O-CA 3.43Å; W449-T483 PolarHBondContact O-N 2.96Å
450	S	98.9	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.1	170.9	-177.1	0	0	0	0	109.9	D408 E409 C410 A452 T483	D408-S450 PolarHBondContact O-N 2.78Å; E409-S450 WeakPolarHBondContact CA-O 3.48Å; E409-S450 WeakPolarHBondContact OE2-CB 3.47Å; E409-S450 PolarHBondContact OE2-OG 3.08Å; C410-S450 PolarHBondContact N-O 2.84Å; S450-A452 PolarHBondContact OG-O 2.85Å; S450-T483 WeakPolarHBondContact CA-O 3.25Å
451	V	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-3.8	-173.9	-53.7	0	0	0	0	113.9	C410 H429 M433 F466 L469 I470 V482 T483 F484	C410-V451 PolarHBondContact SG-O 2.68Å; H429-V451 PolarHBondContact CE1-O 3.33Å; H429-V451 PolarHBondContact NE2-O 3.5Å; M433-V451 HydrophobicContact CE-CG1 4.02Å; M433-V451 HydrophobicContact SD-CB 4.39Å; M433-V451 HydrophobicContact SD-CG1 4.11Å; V451-F466 HydrophobicContact CG2-CD1 4.04Å; V451-F466 HydrophobicContact CG2-CE1 4.32Å; V451-L469 HydrophobicContact CB-CD2 3.68Å; V451-L469 HydrophobicContact CB-CG 3.95Å; V451-L469 HydrophobicContact CG1-CG 4.27Å; V451-L469 HydrophobicContact CG2-CD2 3.79Å; V451-L469 HydrophobicContact CG2-CG 4.19Å; V451-I470 HydrophobicContact CG2-CG1 3.96Å; V451-V482 HydrophobicContact CG1-CG1 3.63Å; V451-T483 PolarHBondContact N-O 2.97Å; V451-F484 HydrophobicContact CG2-CB 3.83Å
452	A	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	161	175.2	0	0	0	0	0	111.6	G412 S450 P455 F466 F484 V485	G412-A452 CarbonylContact O-C 3.6Å; G412-A452 WeakPolarHBondContact O-CA 3.25Å; G412-A452 WeakPolarHBondContact O-CB 3.46Å; S450-A452 PolarHBondContact OG-O 2.85Å; A452-P455 HydrophobicContact CB-CG 4.13Å; A452-F466 HydrophobicContact CB-CE1 3.63Å; A452-F466 HydrophobicContact CB-CZ 3.98Å; A452-F484 HydrophobicContact CB-CB 4.1Å; A452-V485 PolarHBondContact O-N 3.34Å
453	N	98.9	Very high	98.1	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.6	167.8	-178.6	85	0	0	0	112.1	R385 H388 G412 V413 P455 V485 N505 E543	R385-N453 PolarHBondContact NH1-OD1 2.98Å; R385-N453 PolarHBondContact NH2-OD1 3.15Å; H388-N453 PolarHBondContact CE1-ND2 3.09Å; H388-N453 PolarHBondContact CE1-OD1 2.93Å; G412-N453 PolarHBondContact O-N 3.15Å; V413-N453 HydrophobicContact CB-CB 4.26Å; V413-N453 HydrophobicContact CG2-CB 4.07Å; N453-P455 VanDerWaalsContact C-N 3.35Å; N453-V485 HydrophobicContact CB-CB 4.4Å; N453-V485 WeakPolarHBondContact OD1-CB 3.48Å; N453-V485 VanDerWaalsContact OD1-CG1 3.23Å; N453-V485 WeakPolarHBondContact OD1-CG1 3.45Å; N453-N505 PolarHBondContact OD1-ND2 3.37Å; N453-E543 PolarHBondContact OD1-OE1 3.3Å
454	E	98.6	Very high	98.1	Very high	52 Å²	52	29.1 Å²	29.1	24%	0.243	15%	0.15	C	C	.	.	S	Bend	trans	46.8	47.1	178.2	-62.1	-170.6	159.9	0	0	114.5	V485 N487 N505	E454-V485 PolarHBondContact N-O 2.88Å; E454-N487 HydrophobicContact CG-CB 3.88Å; E454-N487 PolarHBondContact OE2-ND2 3.18Å; E454-N505 WeakPolarHBondContact CG-ND2 3.32Å; E454-N505 VanDerWaalsContact OE1-CB 3.28Å; E454-N505 WeakPolarHBondContact OE1-CB 3.44Å; E454-N505 PolarHBondContact OE1-ND2 3.06Å
455	P	98.3	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-66.2	155.7	170	33.6	-35.7	0	0	0	109.3	I415 A452 N453 S457 F466 F484 V485	I415-P455 HydrophobicContact CB-CB 4.14Å; I415-P455 WeakPolarHBondContact O-CA 3.33Å; A452-P455 HydrophobicContact CB-CG 4.13Å; N453-P455 VanDerWaalsContact C-N 3.35Å; P455-S457 PolarHBondContact O-N 3.16Å; P455-F466 HydrophobicContact CB-CE2 3.71Å; P455-F466 HydrophobicContact CB-CZ 3.44Å; P455-F466 VanDerWaalsContact CB-CZ 3.44Å; P455-F466 HydrophobicContact CG-CE1 4.27Å; P455-F466 HydrophobicContact CG-CE2 3.68Å; P455-F466 HydrophobicContact CG-CZ 3.41Å; P455-F466 VanDerWaalsContact CG-CZ 3.41Å; P455-F484 HydrophobicContact CG-CD2 3.65Å; P455-F484 HydrophobicContact CG-CE2 3.74Å; P455-V485 WeakPolarHBondContact CD-O 2.9Å
456	S	98	Very high	98.1	Very high	37 Å²	37	29.1 Å²	29.1	26%	0.259	15%	0.149	S	C	.	.			trans	-70.9	69.6	167.7	-72.8	0	0	0	0	111	I415 V416 A458 L459	I415-S456 PolarHBondContact O-N 3.12Å; V416-S456 WeakPolarHBondContact CA-OG 3.44Å; V416-S456 PolarHBondContact O-OG 3.31Å; S456-A458 PolarHBondContact O-N 2.88Å; S456-L459 WeakPolarHBondContact O-CB 3.45Å; S456-L459 WeakPolarHBondContact O-CG 3.46Å; S456-L459 PolarHBondContact O-N 2.89Å; S456-L459 VanDerWaalsContact O-N 3.08Å
457	S	97.4	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.7	-172.4	59.2	0	0	0	0	114.1	P455 L459 T488 D493 L494	P455-S457 PolarHBondContact O-N 3.16Å; S457-L459 VanDerWaalsContact C-N 3.32Å; S457-T488 VanDerWaalsContact OG-CB 3.25Å; S457-T488 WeakPolarHBondContact OG-CB 3.42Å; S457-T488 PolarHBondContact OG-OG1 3.34Å; S457-D493 WeakPolarHBondContact CB-OD1 3.41Å; S457-D493 PolarHBondContact OG-OD1 3.43Å; S457-D493 PolarHBondContact OG-OD2 3.31Å; S457-L494 WeakPolarHBondContact O-CB 3.25Å; S457-L494 PolarHBondContact O-N 3.33Å
458	A	97.8	Very high	98	Very high	51 Å²	51	35.7 Å²	35.7	42%	0.421	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	169.9	0	0	0	0	0	114	S456 T488 A492	S456-A458 PolarHBondContact O-N 2.88Å; A458-T488 HydrophobicContact CB-CG2 3.89Å; A458-A492 VanDerWaalsContact CA-O 3.32Å; A458-A492 WeakPolarHBondContact CA-O 3.26Å; A458-A492 HydrophobicContact CB-CB 4.08Å
459	L	97.1	Very high	98	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.277	18%	0.181	S	C	.	.	S	Bend	trans	-70.7	137.5	178.7	-64.6	176.9	0	0	0	110.6	P418 L421 S456 S457 P461 A462	P418-L459 HydrophobicContact CG-CD1 4.09Å; L421-L459 HydrophobicContact CD1-CB 4.13Å; L421-L459 HydrophobicContact CD1-CD1 3.95Å; S456-L459 WeakPolarHBondContact O-CB 3.45Å; S456-L459 WeakPolarHBondContact O-CG 3.46Å; S456-L459 PolarHBondContact O-N 2.89Å; S456-L459 VanDerWaalsContact O-N 3.08Å; S457-L459 VanDerWaalsContact C-N 3.32Å; L459-P461 VanDerWaalsContact C-CD 3.4Å; L459-P461 VanDerWaalsContact C-N 3.32Å; L459-P461 VanDerWaalsContact O-N 3.11Å; L459-A462 WeakPolarHBondContact O-CB 3.41Å; L459-A462 PolarHBondContact O-N 3.11Å
460	K	95.3	Very high	98	Very high	194 Å²	194	35.8 Å²	35.8	84%	0.843	18%	0.181	S	C	*	.	H	α-helix	trans	-48.1	-42.3	-177.6	-65.7	-177.2	179.3	179.4	0	114.8	A462	K460-A462 VanDerWaalsContact C-N 3.26Å; K460-A462 PolarHBondContact O-N 2.84Å
461	P	96.4	Very high	98	Very high	59 Å²	59	39.4 Å²	39.4	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-26.1	178.2	-21.9	35.1	0	0	0	114.1	L421 L459 G463 Y464 Y465	L421-P461 HydrophobicContact CB-CB 4.02Å; L459-P461 VanDerWaalsContact C-CD 3.4Å; L459-P461 VanDerWaalsContact C-N 3.32Å; L459-P461 VanDerWaalsContact O-N 3.11Å; P461-G463 VanDerWaalsContact C-N 3.31Å; P461-G463 PolarHBondContact O-N 2.9Å; P461-Y464 PolarHBondContact O-N 3.32Å; P461-Y465 WeakPolarHBondContact O-CB 3.45Å; P461-Y465 PolarHBondContact O-N 3.1Å
462	A	96.7	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-37.9	-172.6	0	0	0	0	0	112.7	L421 L459 K460 Y464 Y465 F466	L421-A462 HydrophobicContact CD1-CB 4.1Å; L459-A462 WeakPolarHBondContact O-CB 3.41Å; L459-A462 PolarHBondContact O-N 3.11Å; K460-A462 VanDerWaalsContact C-N 3.26Å; K460-A462 PolarHBondContact O-N 2.84Å; A462-Y464 PolarHBondContact O-N 2.82Å; A462-Y465 PolarHBondContact O-N 3.44Å; A462-F466 HydrophobicContact CB-CD2 4.08Å; A462-F466 HydrophobicContact CB-CE2 4.19Å; A462-F466 WeakPolarHBondContact O-CB 3.49Å; A462-F466 VanDerWaalsContact O-CD2 3.24Å; A462-F466 WeakPolarHBondContact O-CD2 3.49Å; A462-F466 PolarHBondContact O-N 3.16Å
463	G	97.1	Very high	98	Very high	8 Å²	8	41.2 Å²	41.2	8%	0.082	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-47.6	179.5	0	0	0	0	0	112.8	P461 K467 L494 Y498	P461-G463 VanDerWaalsContact C-N 3.31Å; P461-G463 PolarHBondContact O-N 2.9Å; G463-K467 WeakPolarHBondContact O-CB 3.49Å; G463-K467 PolarHBondContact O-N 3.1Å; G463-L494 WeakPolarHBondContact CA-O 3.43Å; G463-Y498 WeakPolarHBondContact O-CE2 3.44Å
464	Y	98.1	Very high	98	Very high	151 Å²	151	44.2 Å²	44.2	59%	0.592	23%	0.225	S	C	*	.	H	α-helix	trans	-69.2	-42	176.2	175.1	-102.8	0	0	0	112.2	L426 P461 A462 K467 T468	L426-Y464 HydrophobicContact CD2-CE1 4.12Å; P461-Y464 PolarHBondContact O-N 3.32Å; A462-Y464 PolarHBondContact O-N 2.82Å; Y464-K467 PolarHBondContact O-N 2.91Å; Y464-T468 WeakPolarHBondContact O-CB 3.5Å; Y464-T468 PolarHBondContact O-N 3.2Å; Y464-T468 PolarHBondContact O-OG1 2.92Å
465	Y	98.6	Very high	98	Very high	2 Å²	2	47 Å²	47	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-56.3	178.6	-172.6	-78.9	0	0	0	111.2	L421 S425 L426 H429 P461 A462 T468 L469	L421-Y465 HydrophobicContact CB-CD2 4.3Å; L421-Y465 HydrophobicContact CD2-CD1 4Å; L421-Y465 HydrophobicContact CD2-CD2 3.97Å; L421-Y465 HydrophobicContact CD2-CE1 4.34Å; L421-Y465 HydrophobicContact CD2-CE2 4.3Å; L421-Y465 HydrophobicContact CD2-CG 3.82Å; S425-Y465 PolarHBondContact O-OH 3.48Å; L426-Y465 VanDerWaalsContact CA-CE2 3.44Å; L426-Y465 HydrophobicContact CB-CD2 3.77Å; L426-Y465 HydrophobicContact CB-CE2 3.52Å; L426-Y465 HydrophobicContact CD1-CD1 4.25Å; L426-Y465 HydrophobicContact CD1-CD2 3.83Å; L426-Y465 HydrophobicContact CD1-CE1 4.25Å; L426-Y465 HydrophobicContact CD1-CE2 3.85Å; L426-Y465 HydrophobicContact CD1-CG 4.02Å; L426-Y465 HydrophobicContact CD2-CD2 4.48Å; L426-Y465 HydrophobicContact CG-CD2 4.22Å; L426-Y465 HydrophobicContact CG-CE2 4.24Å; H429-Y465 VanDerWaalsContact CB-OH 3.27Å; H429-Y465 WeakPolarHBondContact CB-OH 3.31Å; H429-Y465 AromaticContact ND1-CE1 3.6Å; H429-Y465 AromaticContact ND1-CZ 3.65Å; H429-Y465 PolarHBondContact ND1-OH 2.92Å; P461-Y465 WeakPolarHBondContact O-CB 3.45Å; P461-Y465 PolarHBondContact O-N 3.1Å; A462-Y465 PolarHBondContact O-N 3.44Å; Y465-T468 PolarHBondContact O-N 2.87Å; Y465-L469 HydrophobicContact CE1-CD2 4.02Å; Y465-L469 WeakPolarHBondContact O-CB 3.42Å; Y465-L469 PolarHBondContact O-N 3.35Å
466	F	98.5	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.7	-32.3	-177.9	-73	-65.7	0	0	0	113.1	L421 V451 A452 P455 A462 T468 L469 I470	L421-F466 HydrophobicContact CD2-CE2 4.31Å; V451-F466 HydrophobicContact CG2-CD1 4.04Å; V451-F466 HydrophobicContact CG2-CE1 4.32Å; A452-F466 HydrophobicContact CB-CE1 3.63Å; A452-F466 HydrophobicContact CB-CZ 3.98Å; P455-F466 HydrophobicContact CB-CE2 3.71Å; P455-F466 HydrophobicContact CB-CZ 3.44Å; P455-F466 VanDerWaalsContact CB-CZ 3.44Å; P455-F466 HydrophobicContact CG-CE1 4.27Å; P455-F466 HydrophobicContact CG-CE2 3.68Å; P455-F466 HydrophobicContact CG-CZ 3.41Å; P455-F466 VanDerWaalsContact CG-CZ 3.41Å; A462-F466 HydrophobicContact CB-CD2 4.08Å; A462-F466 HydrophobicContact CB-CE2 4.19Å; A462-F466 WeakPolarHBondContact O-CB 3.49Å; A462-F466 VanDerWaalsContact O-CD2 3.24Å; A462-F466 WeakPolarHBondContact O-CD2 3.49Å; A462-F466 PolarHBondContact O-N 3.16Å; F466-T468 VanDerWaalsContact C-N 3.28Å; F466-T468 PolarHBondContact O-N 3.31Å; F466-L469 HydrophobicContact CD1-CD2 4.29Å; F466-L469 HydrophobicContact CE1-CD2 4.32Å; F466-L469 PolarHBondContact O-N 2.99Å; F466-I470 HydrophobicContact CB-CD1 4.3Å; F466-I470 VanDerWaalsContact O-CB 3.24Å; F466-I470 WeakPolarHBondContact O-CB 3.29Å; F466-I470 WeakPolarHBondContact O-CD1 3.47Å; F466-I470 WeakPolarHBondContact O-CG1 3.48Å; F466-I470 PolarHBondContact O-N 3.24Å
467	K	98.7	Very high	98	Very high	103 Å²	103	48.7 Å²	48.7	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-55.1	-48.7	169.6	-177.4	-178.9	178.3	-174.7	0	111	G463 Y464 T471 Y498	G463-K467 WeakPolarHBondContact O-CB 3.49Å; G463-K467 PolarHBondContact O-N 3.1Å; Y464-K467 PolarHBondContact O-N 2.91Å; K467-T471 VanDerWaalsContact O-CB 3.26Å; K467-T471 WeakPolarHBondContact O-CB 3.3Å; K467-T471 PolarHBondContact O-N 2.99Å; K467-T471 PolarHBondContact O-OG1 3.04Å; K467-Y498 HydrophobicContact CB-CD1 3.99Å; K467-Y498 HydrophobicContact CB-CD2 3.86Å; K467-Y498 HydrophobicContact CB-CE1 3.83Å; K467-Y498 HydrophobicContact CB-CE2 3.68Å; K467-Y498 HydrophobicContact CB-CG 4.02Å; K467-Y498 HydrophobicContact CD-CD1 4.42Å; K467-Y498 HydrophobicContact CD-CE1 3.72Å; K467-Y498 HydrophobicContact CG-CD1 3.82Å; K467-Y498 HydrophobicContact CG-CE1 3.6Å; K467-Y498 HydrophobicContact CG-CE2 4.4Å; K467-Y498 HydrophobicContact CG-CG 4.32Å
468	T	98.8	Very high	98	Very high	35 Å²	35	54 Å²	54	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-49	-176.4	-55.6	0	0	0	0	110.5	L426 Y464 Y465 F466 T471 H472	L426-T468 HydrophobicContact CD2-CG2 4.27Å; Y464-T468 WeakPolarHBondContact O-CB 3.5Å; Y464-T468 PolarHBondContact O-N 3.2Å; Y464-T468 PolarHBondContact O-OG1 2.92Å; Y465-T468 PolarHBondContact O-N 2.87Å; F466-T468 VanDerWaalsContact C-N 3.28Å; F466-T468 PolarHBondContact O-N 3.31Å; T468-T471 PolarHBondContact O-N 3.11Å; T468-H472 VanDerWaalsContact O-CB 3.31Å; T468-H472 WeakPolarHBondContact O-CB 3.18Å; T468-H472 PolarHBondContact O-N 3.41Å
469	L	98.5	Very high	98.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-45.4	-179.2	-171.6	60.9	0	0	0	113.1	H429 L430 M433 V451 Y465 F466 H472 T473	H429-L469 HydrophobicContact CB-CD1 4.17Å; H429-L469 WeakPolarHBondContact CE1-CD2 3.08Å; H429-L469 WeakPolarHBondContact ND1-CD2 3.28Å; L430-L469 HydrophobicContact CD2-CD1 3.92Å; L430-L469 HydrophobicContact CG-CD1 4.49Å; M433-L469 HydrophobicContact CB-CD1 4.41Å; M433-L469 HydrophobicContact CG-CD1 3.61Å; M433-L469 HydrophobicContact CG-CG 4.4Å; V451-L469 HydrophobicContact CB-CD2 3.68Å; V451-L469 HydrophobicContact CB-CG 3.95Å; V451-L469 HydrophobicContact CG1-CG 4.27Å; V451-L469 HydrophobicContact CG2-CD2 3.79Å; V451-L469 HydrophobicContact CG2-CG 4.19Å; Y465-L469 HydrophobicContact CE1-CD2 4.02Å; Y465-L469 WeakPolarHBondContact O-CB 3.42Å; Y465-L469 PolarHBondContact O-N 3.35Å; F466-L469 HydrophobicContact CD1-CD2 4.29Å; F466-L469 HydrophobicContact CE1-CD2 4.32Å; F466-L469 PolarHBondContact O-N 2.99Å; L469-H472 PolarHBondContact O-N 3.47Å; L469-T473 PolarHBondContact O-N 2.72Å; L469-T473 PolarHBondContact O-OG1 2.71Å
470	I	98.9	Very high	98.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-41.8	179.1	-68.5	165.9	0	0	0	110.8	V451 F466 H472 T473 K474 V482 F484 Y498 V499	V451-I470 HydrophobicContact CG2-CG1 3.96Å; F466-I470 HydrophobicContact CB-CD1 4.3Å; F466-I470 VanDerWaalsContact O-CB 3.24Å; F466-I470 WeakPolarHBondContact O-CB 3.29Å; F466-I470 WeakPolarHBondContact O-CD1 3.47Å; F466-I470 WeakPolarHBondContact O-CG1 3.48Å; F466-I470 PolarHBondContact O-N 3.24Å; I470-H472 VanDerWaalsContact C-N 3.35Å; I470-T473 PolarHBondContact O-N 2.92Å; I470-K474 HydrophobicContact CG2-CD 4.33Å; I470-K474 WeakPolarHBondContact O-CG 3.41Å; I470-K474 PolarHBondContact O-N 3.18Å; I470-K474 VanDerWaalsContact O-N 3.08Å; I470-V482 HydrophobicContact CB-CG1 4.28Å; I470-V482 HydrophobicContact CG1-CG1 4.04Å; I470-V482 HydrophobicContact CG2-CB 4.05Å; I470-V482 HydrophobicContact CG2-CG1 3.93Å; I470-F484 HydrophobicContact CD1-CD1 4.4Å; I470-Y498 WeakPolarHBondContact CG2-O 3.3Å; I470-V499 HydrophobicContact CD1-CG1 3.84Å
471	T	98.8	Very high	98.3	Very high	76 Å²	76	43 Å²	43	47%	0.466	23%	0.23	S	C	.	.	H	α-helix	trans	-64.3	-41.8	177.7	-57	0	0	0	0	111.4	K467 T468 K474 T475	K467-T471 VanDerWaalsContact O-CB 3.26Å; K467-T471 WeakPolarHBondContact O-CB 3.3Å; K467-T471 PolarHBondContact O-N 2.99Å; K467-T471 PolarHBondContact O-OG1 3.04Å; T468-T471 PolarHBondContact O-N 3.11Å; T471-K474 PolarHBondContact O-N 3.45Å; T471-T475 PolarHBondContact O-N 3.1Å; T471-T475 VanDerWaalsContact O-N 3.15Å; T471-T475 PolarHBondContact O-OG1 2.95Å
472	H	98.8	Very high	98.4	Very high	38 Å²	38	40.2 Å²	40.2	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-48.8	176.1	179.9	76.6	0	0	0	111.5	L430 E434 T468 L469 I470 K474 T475 L476	L430-H472 HydrophobicContact CD2-CB 3.51Å; L430-H472 VanDerWaalsContact CD2-CG 3.49Å; E434-H472 VanDerWaalsContact CG-NE2 3.29Å; E434-H472 WeakPolarHBondContact CG-NE2 3.37Å; E434-H472 IonicContact OE1-CE1 3.61Å; E434-H472 PolarHBondContact OE1-CE1 3.15Å; E434-H472 VanDerWaalsContact OE1-CE1 3.24Å; E434-H472 IonicContact OE1-NE2 2.92Å; E434-H472 PolarHBondContact OE1-NE2 3.39Å; T468-H472 VanDerWaalsContact O-CB 3.31Å; T468-H472 WeakPolarHBondContact O-CB 3.18Å; T468-H472 PolarHBondContact O-N 3.41Å; L469-H472 PolarHBondContact O-N 3.47Å; I470-H472 VanDerWaalsContact C-N 3.35Å; H472-K474 VanDerWaalsContact C-N 3.3Å; H472-K474 PolarHBondContact O-N 3.39Å; H472-T475 WeakPolarHBondContact O-CA 3.48Å; H472-T475 VanDerWaalsContact O-CB 3.29Å; H472-T475 WeakPolarHBondContact O-CB 3.31Å; H472-T475 PolarHBondContact O-N 3.06Å; H472-L476 PolarHBondContact O-N 2.89Å
473	T	98.9	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-43.5	177.5	-53.8	0	0	0	0	112	M433 V437 W449 L469 I470 T475 L476 D477 V482	M433-T473 HydrophobicContact CE-CG2 3.59Å; V437-T473 HydrophobicContact CG2-CG2 4.33Å; W449-T473 HydrophobicContact CB-CG2 3.91Å; W449-T473 HydrophobicContact CG-CG2 4.01Å; L469-T473 PolarHBondContact O-N 2.72Å; L469-T473 PolarHBondContact O-OG1 2.71Å; I470-T473 PolarHBondContact O-N 2.92Å; T473-T475 PolarHBondContact O-N 2.92Å; T473-L476 WeakPolarHBondContact O-CB 3.48Å; T473-L476 PolarHBondContact O-N 2.97Å; T473-D477 PolarHBondContact O-N 2.98Å; T473-V482 HydrophobicContact CG2-CG1 4.12Å; T473-V482 HydrophobicContact CG2-CG2 3.7Å
474	K	98.7	Very high	98.6	Very high	67 Å²	67	40 Å²	40	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-25	175.1	-71.8	178.6	175.4	-174.2	0	114.3	I470 T471 H472 D477 V482 D500	I470-K474 HydrophobicContact CG2-CD 4.33Å; I470-K474 WeakPolarHBondContact O-CG 3.41Å; I470-K474 PolarHBondContact O-N 3.18Å; I470-K474 VanDerWaalsContact O-N 3.08Å; T471-K474 PolarHBondContact O-N 3.45Å; H472-K474 VanDerWaalsContact C-N 3.3Å; H472-K474 PolarHBondContact O-N 3.39Å; K474-D477 CarbonylContact O-C 3.36Å; K474-V482 HydrophobicContact CG-CB 4.33Å; K474-V482 HydrophobicContact CG-CG2 3.6Å; K474-D500 WeakPolarHBondContact CE-OD2 3.41Å; K474-D500 IonicContact NZ-OD1 3.9Å; K474-D500 PolarHBondContact NZ-OD1 2.98Å; K474-D500 IonicContact NZ-OD2 2.9Å; K474-D500 PolarHBondContact NZ-OD2 3.39Å
475	T	98.4	Very high	98.7	Very high	111 Å²	111	32.8 Å²	32.8	68%	0.681	18%	0.18	S	C	*	.	H	α-helix	trans	-78.5	-33.5	176.5	-55.3	0	0	0	0	110.7	T471 H472 T473	T471-T475 PolarHBondContact O-N 3.1Å; T471-T475 VanDerWaalsContact O-N 3.15Å; T471-T475 PolarHBondContact O-OG1 2.95Å; H472-T475 WeakPolarHBondContact O-CA 3.48Å; H472-T475 VanDerWaalsContact O-CB 3.29Å; H472-T475 WeakPolarHBondContact O-CB 3.31Å; H472-T475 PolarHBondContact O-N 3.06Å; T473-T475 PolarHBondContact O-N 2.92Å
476	L	98.3	Very high	98.7	Very high	65 Å²	65	32.8 Å²	32.8	34%	0.34	18%	0.181	S	C	.	.	H	α-helix	trans	-71	-42.4	173.7	-59.8	173	0	0	0	112.2	E434 V437 H472 T473	E434-L476 HydrophobicContact CB-CD1 4.36Å; E434-L476 HydrophobicContact CG-CD1 3.91Å; E434-L476 HydrophobicContact CG-CD2 4.07Å; V437-L476 HydrophobicContact CB-CB 4.24Å; V437-L476 HydrophobicContact CB-CD1 4.3Å; V437-L476 HydrophobicContact CG1-CB 3.89Å; V437-L476 HydrophobicContact CG2-CB 4.41Å; V437-L476 HydrophobicContact CG2-CD1 4.27Å; H472-L476 PolarHBondContact O-N 2.89Å; T473-L476 WeakPolarHBondContact O-CB 3.48Å; T473-L476 PolarHBondContact O-N 2.97Å
477	D	98.6	Very high	98.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.201	C	C	.	.			trans	-137	101.8	177.9	178.9	15.8	0	0	0	111.5	V437 W449 T473 K474 T479 R480	V437-D477 HydrophobicContact CG1-CB 3.79Å; W449-D477 PolarHBondContact NE1-OD2 3.4Å; T473-D477 PolarHBondContact O-N 2.98Å; K474-D477 CarbonylContact O-C 3.36Å; D477-T479 VanDerWaalsContact C-N 3.26Å; D477-T479 PolarHBondContact O-N 3.44Å; D477-T479 VanDerWaalsContact OD1-CB 3.32Å; D477-T479 WeakPolarHBondContact OD1-CB 3.5Å; D477-T479 PolarHBondContact OD1-N 3.27Å; D477-T479 PolarHBondContact OD1-OG1 3.09Å; D477-R480 IonicContact OD1-NH1 3.64Å; D477-R480 VanDerWaalsContact OD2-CD 3.32Å; D477-R480 WeakPolarHBondContact OD2-CD 3.29Å; D477-R480 WeakPolarHBondContact OD2-CG 3.46Å; D477-R480 IonicContact OD2-CZ 3.09Å; D477-R480 IonicContact OD2-NE 2.65Å; D477-R480 IonicContact OD2-NH1 3.43Å; D477-R480 PolarHBondContact OD2-NH1 3.19Å
478	P	98.1	Very high	98.6	Very high	111 Å²	111	32.6 Å²	32.6	72%	0.721	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.2	176.6	33.2	-35.8	0	0	0	113.5
479	T	98.5	Very high	98.5	Very high	42 Å²	42	36.8 Å²	36.8	26%	0.258	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	-172.3	72.8	0	0	0	0	114	T240 D477	T240-T479 HydrophobicContact CG2-CG2 3.54Å; D477-T479 VanDerWaalsContact C-N 3.26Å; D477-T479 PolarHBondContact O-N 3.44Å; D477-T479 VanDerWaalsContact OD1-CB 3.32Å; D477-T479 WeakPolarHBondContact OD1-CB 3.5Å; D477-T479 PolarHBondContact OD1-N 3.27Å; D477-T479 PolarHBondContact OD1-OG1 3.09Å
480	R	98.8	Very high	98.4	Very high	16 Å²	16	39.4 Å²	39.4	6%	0.06	21%	0.211	C	C	.	.	S	Bend	trans	-132.7	145.4	-175.6	-62.5	178.4	-177.3	82.7	-6	111.9	R330 K441 H443 V446 D477	R330-R480 VanDerWaalsContact NH2-CZ 3.32Å; K441-R480 VanDerWaalsContact O-CZ 3.31Å; K441-R480 PolarHBondContact O-NH1 2.9Å; K441-R480 PolarHBondContact O-NH2 3.29Å; H443-R480 PolarHBondContact O-NH2 3.3Å; V446-R480 WeakPolarHBondContact O-CD 3.24Å; V446-R480 PolarHBondContact O-NE 3.01Å; D477-R480 IonicContact OD1-NH1 3.64Å; D477-R480 VanDerWaalsContact OD2-CD 3.32Å; D477-R480 WeakPolarHBondContact OD2-CD 3.29Å; D477-R480 WeakPolarHBondContact OD2-CG 3.46Å; D477-R480 IonicContact OD2-CZ 3.09Å; D477-R480 IonicContact OD2-NE 2.65Å; D477-R480 IonicContact OD2-NH1 3.43Å; D477-R480 PolarHBondContact OD2-NH1 3.19Å
481	P	98.9	Very high	98.3	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.065	23%	0.234	C	C	.	.			trans	-64.5	159.7	169.5	27.1	-35.6	0	0	0	112.3	V332 V334 F339 V447 M448 W449 D500	V332-P481 HydrophobicContact CG1-CG 4.19Å; V334-P481 HydrophobicContact CG2-CB 3.74Å; V334-P481 HydrophobicContact CG2-CG 3.76Å; F339-P481 HydrophobicContact CE2-CG 3.74Å; F339-P481 HydrophobicContact CZ-CG 4.11Å; V447-P481 VanDerWaalsContact O-CD 3.24Å; V447-P481 WeakPolarHBondContact O-CD 3.45Å; V447-P481 WeakPolarHBondContact O-CG 3.45Å; M448-P481 WeakPolarHBondContact CA-O 3.43Å; M448-P481 HydrophobicContact CB-CG 4.06Å; M448-P481 HydrophobicContact CG-CB 4.32Å; M448-P481 HydrophobicContact CG-CG 3.95Å; M448-P481 WeakPolarHBondContact CG-O 3.41Å; M448-P481 HydrophobicContact SD-CB 4.33Å; M448-P481 HydrophobicContact SD-CG 4.11Å; W449-P481 PolarHBondContact N-O 3.39Å; W449-P481 VanDerWaalsContact N-O 3.1Å; P481-D500 WeakPolarHBondContact CA-OD2 3.31Å; P481-D500 HydrophobicContact CB-CB 3.68Å
482	V	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.4	177	-175	0	0	0	0	110.5	W449 V451 I470 T473 K474 D500	W449-V482 HydrophobicContact CB-CG2 4.39Å; W449-V482 CarbonylContact O-C 3.57Å; W449-V482 WeakPolarHBondContact O-CA 3.43Å; V451-V482 HydrophobicContact CG1-CG1 3.63Å; I470-V482 HydrophobicContact CB-CG1 4.28Å; I470-V482 HydrophobicContact CG1-CG1 4.04Å; I470-V482 HydrophobicContact CG2-CB 4.05Å; I470-V482 HydrophobicContact CG2-CG1 3.93Å; T473-V482 HydrophobicContact CG2-CG1 4.12Å; T473-V482 HydrophobicContact CG2-CG2 3.7Å; K474-V482 HydrophobicContact CG-CB 4.33Å; K474-V482 HydrophobicContact CG-CG2 3.6Å; V482-D500 PolarHBondContact N-OD2 3.42Å; V482-D500 PolarHBondContact O-N 3.24Å
483	T	98.9	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	173.7	177.9	-165.7	0	0	0	0	111.2	I407 M448 W449 S450 V451 V501 C503	I407-T483 HydrophobicContact CG2-CG2 4.5Å; M448-T483 HydrophobicContact CE-CG2 3.86Å; M448-T483 HydrophobicContact CG-CG2 3.99Å; M448-T483 HydrophobicContact SD-CG2 3.87Å; W449-T483 PolarHBondContact O-N 2.96Å; S450-T483 WeakPolarHBondContact CA-O 3.25Å; V451-T483 PolarHBondContact N-O 2.97Å; T483-V501 WeakPolarHBondContact CB-O 3.41Å; T483-V501 PolarHBondContact OG1-O 3.34Å; T483-C503 PolarHBondContact OG1-SG 2.76Å
484	F	98.8	Very high	98.2	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.3	152.3	77.1	-82.5	0	0	0	107.1	V451 A452 P455 I470 D493 G495 V499	V451-F484 HydrophobicContact CG2-CB 3.83Å; A452-F484 HydrophobicContact CB-CB 4.1Å; P455-F484 HydrophobicContact CG-CD2 3.65Å; P455-F484 HydrophobicContact CG-CE2 3.74Å; I470-F484 HydrophobicContact CD1-CD1 4.4Å; F484-D493 WeakPolarHBondContact CZ-OD1 3.33Å; F484-G495 VanDerWaalsContact CE1-C 3.48Å; F484-V499 HydrophobicContact CD1-CG1 3.41Å; F484-V499 VanDerWaalsContact CD1-CG1 3.41Å; F484-V499 HydrophobicContact CE1-CG1 3.71Å; F484-V499 HydrophobicContact CG-CG1 4.5Å
485	V	98.9	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126	-177	175.1	0	0	0	0	109.9	R385 A452 N453 E454 P455 C503 N505 S542	R385-V485 VanDerWaalsContact NH1-CG1 3.32Å; A452-V485 PolarHBondContact O-N 3.34Å; N453-V485 HydrophobicContact CB-CB 4.4Å; N453-V485 WeakPolarHBondContact OD1-CB 3.48Å; N453-V485 VanDerWaalsContact OD1-CG1 3.23Å; N453-V485 WeakPolarHBondContact OD1-CG1 3.45Å; E454-V485 PolarHBondContact N-O 2.88Å; P455-V485 WeakPolarHBondContact CD-O 2.9Å; V485-C503 HydrophobicContact CB-CB 4.31Å; V485-C503 HydrophobicContact CG2-CB 3.74Å; V485-N505 WeakPolarHBondContact CG1-ND2 3.36Å; V485-N505 WeakPolarHBondContact CG1-OD1 3.44Å; V485-S542 WeakPolarHBondContact CG1-OG 3.42Å
486	T	98.7	Very high	98.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	-176.4	-171.3	0	0	0	0	113	T488 D493 C503 V504 N505 W531	T486-T488 WeakPolarHBondContact OG1-CB 3.28Å; T486-T488 PolarHBondContact OG1-N 3.06Å; T486-D493 VanDerWaalsContact CB-OD2 3.29Å; T486-D493 WeakPolarHBondContact CB-OD2 3.25Å; T486-D493 PolarHBondContact OG1-OD2 3.03Å; T486-C503 WeakPolarHBondContact CG2-O 3.31Å; T486-C503 PolarHBondContact N-O 3.47Å; T486-V504 HydrophobicContact CG2-CG2 4.29Å; T486-V504 WeakPolarHBondContact O-CA 3.4Å; T486-N505 PolarHBondContact O-N 3.08Å; T486-W531 HydrophobicContact CG2-CH2 3.66Å; T486-W531 HydrophobicContact CG2-CZ2 3.57Å
487	N	98.1	Very high	98.2	Very high	79 Å²	79	35.3 Å²	35.3	42%	0.422	20%	0.196	S	C	.	.			trans	-113.9	9	162.5	65	-1.5	0	0	0	111.8	E454 N505	E454-N487 HydrophobicContact CG-CB 3.88Å; E454-N487 PolarHBondContact OE2-ND2 3.18Å; N487-N505 HydrophobicContact CB-CB 4.33Å
488	T	97.3	Very high	98.2	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.129	21%	0.209	C	C	.	.	S	Bend	trans	-81.8	152.7	-179.5	-68	0	0	0	0	110.5	S457 A458 T486 A492 D493 W531	S457-T488 VanDerWaalsContact OG-CB 3.25Å; S457-T488 WeakPolarHBondContact OG-CB 3.42Å; S457-T488 PolarHBondContact OG-OG1 3.34Å; A458-T488 HydrophobicContact CB-CG2 3.89Å; T486-T488 WeakPolarHBondContact OG1-CB 3.28Å; T486-T488 PolarHBondContact OG1-N 3.06Å; T488-A492 HydrophobicContact CG2-CB 4.09Å; T488-D493 HydrophobicContact CG2-CB 3.92Å; T488-W531 VanDerWaalsContact O-CZ2 3.27Å; T488-W531 WeakPolarHBondContact O-CZ2 3.35Å
489	K	96.9	Very high	98.3	Very high	123 Å²	123	33.7 Å²	33.7	54%	0.535	18%	0.176	S	C	.	.			trans	-65.4	139.7	175.8	-167.8	-177.1	170.9	-130.9	0	111.2	D491 A492 D493	K489-D491 WeakPolarHBondContact CD-OD1 3.16Å; K489-D491 VanDerWaalsContact CE-OD1 3.22Å; K489-D491 WeakPolarHBondContact CE-OD1 3.37Å; K489-D491 VanDerWaalsContact CG-OD1 3.25Å; K489-D491 WeakPolarHBondContact CG-OD1 3.31Å; K489-D491 IonicContact NZ-OD1 3.95Å; K489-D491 PolarHBondContact NZ-OD1 2.82Å; K489-D491 IonicContact NZ-OD2 2.95Å; K489-D491 PolarHBondContact NZ-OD2 2.97Å; K489-D491 PolarHBondContact O-N 3.38Å; K489-A492 PolarHBondContact O-N 2.71Å; K489-D493 PolarHBondContact O-N 3.26Å; K489-D493 VanDerWaalsContact O-N 3.15Å
490	Y	97.3	Very high	98.3	Very high	55 Å²	55	33.7 Å²	33.7	22%	0.216	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-33.2	-174	75.3	-86.9	0	0	0	116	N530 T534 H535	Y490-N530 HydrophobicContact CD1-CB 3.51Å; Y490-N530 HydrophobicContact CD2-CB 3.99Å; Y490-N530 HydrophobicContact CE1-CB 3.55Å; Y490-N530 HydrophobicContact CE2-CB 4.02Å; Y490-N530 HydrophobicContact CG-CB 3.74Å; Y490-T534 HydrophobicContact CD2-CG2 4.4Å; Y490-T534 WeakPolarHBondContact CD2-OG1 3.48Å; Y490-H535 PolarHBondContact O-NE2 2.94Å
491	D	96.5	Very high	98.3	Very high	91 Å²	91	33 Å²	33	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.6	-177.6	56.8	-10.7	0	0	0	113.7	K489	K489-D491 WeakPolarHBondContact CD-OD1 3.16Å; K489-D491 VanDerWaalsContact CE-OD1 3.22Å; K489-D491 WeakPolarHBondContact CE-OD1 3.37Å; K489-D491 VanDerWaalsContact CG-OD1 3.25Å; K489-D491 WeakPolarHBondContact CG-OD1 3.31Å; K489-D491 IonicContact NZ-OD1 3.95Å; K489-D491 PolarHBondContact NZ-OD1 2.82Å; K489-D491 IonicContact NZ-OD2 2.95Å; K489-D491 PolarHBondContact NZ-OD2 2.97Å; K489-D491 PolarHBondContact O-N 3.38Å
492	A	98.1	Very high	98.3	Very high	37 Å²	37	32.6 Å²	32.6	31%	0.306	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-18.8	178.4	0	0	0	0	0	112.6	A458 T488 K489 L494	A458-A492 VanDerWaalsContact CA-O 3.32Å; A458-A492 WeakPolarHBondContact CA-O 3.26Å; A458-A492 HydrophobicContact CB-CB 4.08Å; T488-A492 HydrophobicContact CG2-CB 4.09Å; K489-A492 PolarHBondContact O-N 2.71Å; A492-L494 PolarHBondContact O-N 3.3Å
493	D	98.4	Very high	98.3	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	17%	0.169	C	C	.	.			trans	-71.6	110	-175	-163.9	-46.1	0	0	0	112	S457 F484 T486 T488 K489 G495 A496 W531	S457-D493 WeakPolarHBondContact CB-OD1 3.41Å; S457-D493 PolarHBondContact OG-OD1 3.43Å; S457-D493 PolarHBondContact OG-OD2 3.31Å; F484-D493 WeakPolarHBondContact CZ-OD1 3.33Å; T486-D493 VanDerWaalsContact CB-OD2 3.29Å; T486-D493 WeakPolarHBondContact CB-OD2 3.25Å; T486-D493 PolarHBondContact OG1-OD2 3.03Å; T488-D493 HydrophobicContact CG2-CB 3.92Å; K489-D493 PolarHBondContact O-N 3.26Å; K489-D493 VanDerWaalsContact O-N 3.15Å; D493-G495 WeakPolarHBondContact OD1-CA 3.33Å; D493-G495 PolarHBondContact OD1-N 3.01Å; D493-A496 HydrophobicContact CB-CB 3.94Å; D493-A496 PolarHBondContact OD1-N 3.34Å; D493-W531 HydrophobicContact CB-CH2 3.84Å; D493-W531 HydrophobicContact CB-CZ3 4.47Å
494	L	98.4	Very high	98.3	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.356	17%	0.17	S	C	.	.	S	Bend	trans	-84.2	-11.8	-179.2	-55.6	-178.9	0	0	0	113.1	S457 G463 A492 Y498	S457-L494 WeakPolarHBondContact O-CB 3.25Å; S457-L494 PolarHBondContact O-N 3.33Å; G463-L494 WeakPolarHBondContact CA-O 3.43Å; A492-L494 PolarHBondContact O-N 3.3Å; L494-Y498 WeakPolarHBondContact O-CE2 3.03Å
495	G	98	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-91.2	-32.3	177.2	0	0	0	0	0	113.3	F484 D493 P497 Y498	F484-G495 VanDerWaalsContact CE1-C 3.48Å; D493-G495 WeakPolarHBondContact OD1-CA 3.33Å; D493-G495 PolarHBondContact OD1-N 3.01Å; G495-P497 VanDerWaalsContact C-N 3.31Å; G495-P497 VanDerWaalsContact O-N 3.17Å; G495-Y498 WeakPolarHBondContact O-CD2 3.42Å; G495-Y498 PolarHBondContact O-N 3.42Å
496	A	98.3	Very high	98.3	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.7	-176.9	0	0	0	0	0	116.1	D493 Y498 V499 W531 K537	D493-A496 HydrophobicContact CB-CB 3.94Å; D493-A496 PolarHBondContact OD1-N 3.34Å; A496-Y498 PolarHBondContact O-N 3.49Å; A496-Y498 VanDerWaalsContact O-N 3.14Å; A496-V499 WeakPolarHBondContact O-CG2 3.46Å; A496-W531 HydrophobicContact CB-CH2 4.08Å; A496-W531 HydrophobicContact CB-CZ3 3.61Å; A496-K537 PolarHBondContact O-NZ 2.71Å; A496-K537 VanDerWaalsContact O-NZ 3.12Å
497	P	98.5	Very high	98.3	Very high	68 Å²	68	34 Å²	34	44%	0.442	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24	172.7	-28.2	37.6	0	0	0	114.4	G495 K537	G495-P497 VanDerWaalsContact C-N 3.31Å; G495-P497 VanDerWaalsContact O-N 3.17Å; P497-K537 VanDerWaalsContact C-NZ 3.27Å; P497-K537 PolarHBondContact O-NZ 2.83Å
498	Y	98.6	Very high	98.3	Very high	80 Å²	80	32 Å²	32	31%	0.314	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-19.4	-170.6	-53.2	-63.2	0	0	0	115.3	G463 K467 I470 L494 G495 A496	G463-Y498 WeakPolarHBondContact O-CE2 3.44Å; K467-Y498 HydrophobicContact CB-CD1 3.99Å; K467-Y498 HydrophobicContact CB-CD2 3.86Å; K467-Y498 HydrophobicContact CB-CE1 3.83Å; K467-Y498 HydrophobicContact CB-CE2 3.68Å; K467-Y498 HydrophobicContact CB-CG 4.02Å; K467-Y498 HydrophobicContact CD-CD1 4.42Å; K467-Y498 HydrophobicContact CD-CE1 3.72Å; K467-Y498 HydrophobicContact CG-CD1 3.82Å; K467-Y498 HydrophobicContact CG-CE1 3.6Å; K467-Y498 HydrophobicContact CG-CE2 4.4Å; K467-Y498 HydrophobicContact CG-CG 4.32Å; I470-Y498 WeakPolarHBondContact CG2-O 3.3Å; L494-Y498 WeakPolarHBondContact O-CE2 3.03Å; G495-Y498 WeakPolarHBondContact O-CD2 3.42Å; G495-Y498 PolarHBondContact O-N 3.42Å; A496-Y498 PolarHBondContact O-N 3.49Å; A496-Y498 VanDerWaalsContact O-N 3.14Å
499	V	98.8	Very high	98.4	Very high	3 Å²	3	31 Å²	31	2%	0.018	16%	0.158	C	C	.	.			trans	-71.4	156.5	179.8	-58.6	0	0	0	0	112.3	I470 F484 A496 V501 I502 K537	I470-V499 HydrophobicContact CD1-CG1 3.84Å; F484-V499 HydrophobicContact CD1-CG1 3.41Å; F484-V499 VanDerWaalsContact CD1-CG1 3.41Å; F484-V499 HydrophobicContact CE1-CG1 3.71Å; F484-V499 HydrophobicContact CG-CG1 4.5Å; A496-V499 WeakPolarHBondContact O-CG2 3.46Å; V499-V501 WeakPolarHBondContact CB-O 3.28Å; V499-V501 VanDerWaalsContact CG2-O 3.32Å; V499-V501 WeakPolarHBondContact CG2-O 3.42Å; V499-I502 HydrophobicContact CG2-CG1 4.08Å; V499-K537 HydrophobicContact CG2-CD 4.45Å; V499-K537 VanDerWaalsContact O-CD 3.31Å; V499-K537 WeakPolarHBondContact O-CD 3.37Å; V499-K537 VanDerWaalsContact O-CE 3.22Å; V499-K537 WeakPolarHBondContact O-CE 3.35Å; V499-K537 PolarHBondContact O-NZ 3.14Å
500	D	98.9	Very high	98.4	Very high	43 Å²	43	25.8 Å²	25.8	23%	0.23	13%	0.134	C	C	.	.	S	Bend	trans	-86.1	-33.9	171.3	-60.5	-49.7	0	0	0	112.1	K474 P481 V482	K474-D500 WeakPolarHBondContact CE-OD2 3.41Å; K474-D500 IonicContact NZ-OD1 3.9Å; K474-D500 PolarHBondContact NZ-OD1 2.98Å; K474-D500 IonicContact NZ-OD2 2.9Å; K474-D500 PolarHBondContact NZ-OD2 3.39Å; P481-D500 WeakPolarHBondContact CA-OD2 3.31Å; P481-D500 HydrophobicContact CB-CB 3.68Å; V482-D500 PolarHBondContact N-OD2 3.42Å; V482-D500 PolarHBondContact O-N 3.24Å
501	V	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-129.1	136.7	179.2	-175.4	0	0	0	0	108.2	V334 F339 M448 T483 V499 P538 I540 V585	V334-V501 HydrophobicContact CG1-CG2 3.98Å; V334-V501 HydrophobicContact CG2-CG2 3.91Å; F339-V501 HydrophobicContact CD2-CG2 4.14Å; F339-V501 HydrophobicContact CE2-CG2 4.38Å; M448-V501 HydrophobicContact CE-CB 4.38Å; M448-V501 HydrophobicContact CE-CG1 4.46Å; M448-V501 HydrophobicContact SD-CB 3.71Å; M448-V501 HydrophobicContact SD-CG1 4.38Å; M448-V501 HydrophobicContact SD-CG2 3.67Å; T483-V501 WeakPolarHBondContact CB-O 3.41Å; T483-V501 PolarHBondContact OG1-O 3.34Å; V499-V501 WeakPolarHBondContact CB-O 3.28Å; V499-V501 VanDerWaalsContact CG2-O 3.32Å; V499-V501 WeakPolarHBondContact CG2-O 3.42Å; V501-P538 HydrophobicContact CG1-CG 4.35Å; V501-P538 HydrophobicContact CG2-CG 4.19Å; V501-I540 HydrophobicContact CG1-CD1 3.89Å; V501-I540 HydrophobicContact CG1-CG1 3.92Å; V501-V585 HydrophobicContact CG1-CG2 4.31Å
502	I	98.9	Very high	98.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.6	178.5	-57.2	173.8	0	0	0	108.6	V499 V504 W531 H535 K537 P538 V539 I540	V499-I502 HydrophobicContact CG2-CG1 4.08Å; I502-V504 HydrophobicContact CG2-CG2 3.53Å; I502-W531 HydrophobicContact CD1-CE3 3.93Å; I502-W531 HydrophobicContact CG2-CD2 4.06Å; I502-W531 HydrophobicContact CG2-CE3 3.81Å; I502-W531 HydrophobicContact CG2-CZ3 4.1Å; I502-H535 HydrophobicContact CD1-CB 3.58Å; I502-K537 HydrophobicContact CD1-CB 4Å; I502-K537 HydrophobicContact CG1-CB 4.02Å; I502-K537 HydrophobicContact CG1-CD 4.35Å; I502-P538 PolarHBondContact N-O 3.24Å; I502-V539 HydrophobicContact CB-CG2 4.38Å; I502-V539 CarbonylContact O-C 3.52Å; I502-V539 VanDerWaalsContact O-CA 3.32Å; I502-V539 WeakPolarHBondContact O-CA 3.05Å; I502-I540 PolarHBondContact O-N 2.81Å
503	C	98.9	Very high	98.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.4	172.9	-66.5	0	0	0	0	109.1	T483 V485 T486 I540	T483-C503 PolarHBondContact OG1-SG 2.76Å; V485-C503 HydrophobicContact CB-CB 4.31Å; V485-C503 HydrophobicContact CG2-CB 3.74Å; T486-C503 WeakPolarHBondContact CG2-O 3.31Å; T486-C503 PolarHBondContact N-O 3.47Å; C503-I540 WeakPolarHBondContact CA-O 3.32Å
504	V	98.6	Very high	98.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.8	-175.6	-170.6	0	0	0	0	111.1	T486 I502 Q527 W531 V539 I540 Q541 S542	T486-V504 HydrophobicContact CG2-CG2 4.29Å; T486-V504 WeakPolarHBondContact O-CA 3.4Å; I502-V504 HydrophobicContact CG2-CG2 3.53Å; V504-Q527 HydrophobicContact CG1-CG 4.39Å; V504-W531 HydrophobicContact CG2-CD2 4.17Å; V504-W531 HydrophobicContact CG2-CG 4.23Å; V504-W531 HydrophobicContact CG2-CZ2 4.23Å; V504-V539 HydrophobicContact CG2-CG1 4.15Å; V504-I540 PolarHBondContact N-O 2.95Å; V504-Q541 PolarHBondContact O-NE2 3.43Å; V504-S542 VanDerWaalsContact C-OG 3.23Å; V504-S542 PolarHBondContact N-OG 3.05Å; V504-S542 PolarHBondContact O-N 3.05Å; V504-S542 PolarHBondContact O-OG 2.86Å
505	N	98.9	Very high	98.5	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.8	169.4	-69.8	-0.8	0	0	0	109.7	N453 E454 V485 T486 N487 S542 E543	N453-N505 PolarHBondContact OD1-ND2 3.37Å; E454-N505 WeakPolarHBondContact CG-ND2 3.32Å; E454-N505 VanDerWaalsContact OE1-CB 3.28Å; E454-N505 WeakPolarHBondContact OE1-CB 3.44Å; E454-N505 PolarHBondContact OE1-ND2 3.06Å; V485-N505 WeakPolarHBondContact CG1-ND2 3.36Å; V485-N505 WeakPolarHBondContact CG1-OD1 3.44Å; T486-N505 PolarHBondContact O-N 3.08Å; N487-N505 HydrophobicContact CB-CB 4.33Å; N505-S542 PolarHBondContact OD1-OG 2.94Å; N505-E543 HydrophobicContact CB-CB 4.04Å; N505-E543 VanDerWaalsContact CG-CB 3.49Å; N505-E543 VanDerWaalsContact CG-CD 3.49Å; N505-E543 PolarHBondContact ND2-OE1 3.03Å; N505-E543 PolarHBondContact ND2-OE2 3.41Å; N505-E543 VanDerWaalsContact OD1-CB 3.27Å; N505-E543 WeakPolarHBondContact OD1-CB 3.28Å; N505-E543 WeakPolarHBondContact OD1-CG 3.29Å; N505-E543 PolarHBondContact OD1-N 3.42Å
506	S	98.6	Very high	98.5	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	19%	0.193	C	C	.	.			trans	-151	138.6	175.9	68.2	0	0	0	0	111.1	Q527 Q541 E543 Y572	S506-Q527 VanDerWaalsContact CB-OE1 3.27Å; S506-Q527 PolarHBondContact OG-NE2 3.47Å; S506-Q541 VanDerWaalsContact N-NE2 3.17Å; S506-Q541 PolarHBondContact OG-NE2 2.91Å; S506-Q541 PolarHBondContact OG-OE1 3.37Å; S506-E543 PolarHBondContact N-O 2.93Å; S506-E543 VanDerWaalsContact N-O 3.15Å; S506-Y572 PolarHBondContact O-OH 3.36Å
507	Y	98.7	Very high	98.5	Very high	18 Å²	18	40.8 Å²	40.8	7%	0.071	20%	0.198	C	C	.	.			trans	-135.2	52.5	-171.9	-71.1	-85.2	0	0	0	110.5	W510 Y511 E543 G545 Y572 W590 K609	Y507-W510 PolarHBondContact O-N 2.91Å; Y507-W510 VanDerWaalsContact O-N 3.1Å; Y507-Y511 HydrophobicContact CD1-CD2 4.35Å; Y507-Y511 HydrophobicContact CD1-CE2 4.04Å; Y507-Y511 AromaticContact CD2-CD2 3.74Å; Y507-Y511 HydrophobicContact CD2-CD2 3.74Å; Y507-Y511 AromaticContact CD2-CE2 3.58Å; Y507-Y511 HydrophobicContact CD2-CE2 3.58Å; Y507-Y511 HydrophobicContact CE1-CE2 4.42Å; Y507-Y511 HydrophobicContact CE2-CE2 4Å; Y507-Y511 AromaticContact CG-CD2 3.59Å; Y507-Y511 HydrophobicContact CG-CD2 3.59Å; Y507-Y511 AromaticContact CG-CE2 3.59Å; Y507-Y511 HydrophobicContact CG-CE2 3.59Å; Y507-Y511 PolarHBondContact O-N 3.47Å; Y507-Y511 VanDerWaalsContact O-N 3.12Å; Y507-E543 HydrophobicContact CE2-CB 4.06Å; Y507-E543 WeakPolarHBondContact OH-CB 3.22Å; Y507-E543 PolarHBondContact OH-OE2 3.29Å; Y507-G545 WeakPolarHBondContact CD1-O 3.32Å; Y507-Y572 WeakPolarHBondContact CA-OH 3.4Å; Y507-Y572 PolarHBondContact N-OH 3.12Å; Y507-W590 HydrophobicContact CE1-CB 4.4Å; Y507-W590 VanDerWaalsContact OH-CB 3.31Å; Y507-W590 WeakPolarHBondContact OH-CB 3.48Å; Y507-K609 HydrophobicContact CE1-CD 3.83Å
508	F	98.7	Very high	98.5	Very high	37 Å²	37	43.4 Å²	43.4	16%	0.162	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-59	142.8	176.7	-58.7	-54	0	0	0	110.2	W510 I520 Q523 L524 Q527 Y572	F508-W510 PolarHBondContact O-N 2.94Å; F508-W510 VanDerWaalsContact O-N 3.15Å; F508-I520 HydrophobicContact CB-CG1 4.1Å; F508-Q523 HydrophobicContact CD1-CB 3.91Å; F508-Q523 HydrophobicContact CD1-CG 4.47Å; F508-Q523 HydrophobicContact CD2-CB 4.14Å; F508-Q523 HydrophobicContact CE1-CB 3.87Å; F508-Q523 HydrophobicContact CE2-CB 4.13Å; F508-Q523 HydrophobicContact CG-CB 4.03Å; F508-Q523 VanDerWaalsContact CG-OE1 3.3Å; F508-Q523 HydrophobicContact CZ-CB 3.99Å; F508-L524 HydrophobicContact CD2-CB 4.09Å; F508-L524 HydrophobicContact CD2-CD1 4.42Å; F508-L524 HydrophobicContact CE2-CB 3.99Å; F508-L524 HydrophobicContact CE2-CD1 4.01Å; F508-Q527 HydrophobicContact CZ-CB 4.43Å; F508-Y572 WeakPolarHBondContact CD2-OH 3.22Å; F508-Y572 PolarHBondContact N-OH 2.98Å
509	S	98.6	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-10.6	-169.2	82.5	0	0	0	0	116.6	H512 D513 G515 H516 Y564 L568	S509-H512 CarbonylContact C-O 3.32Å; S509-H512 VanDerWaalsContact CA-O 3.3Å; S509-H512 WeakPolarHBondContact CA-O 3.27Å; S509-H512 PolarHBondContact N-O 2.86Å; S509-D513 WeakPolarHBondContact CA-O 3.44Å; S509-G515 PolarHBondContact O-N 3.19Å; S509-G515 VanDerWaalsContact O-N 3.1Å; S509-H516 VanDerWaalsContact CB-O 3.31Å; S509-H516 WeakPolarHBondContact CB-O 3.39Å; S509-Y564 VanDerWaalsContact CB-OH 3.24Å; S509-Y564 WeakPolarHBondContact CB-OH 3.05Å; S509-Y564 PolarHBondContact O-OH 3.47Å; S509-Y564 PolarHBondContact OG-OH 2.9Å; S509-L568 WeakPolarHBondContact OG-CD1 3.45Å
510	W	98.6	Very high	98.5	Very high	12 Å²	12	41 Å²	41	5%	0.045	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-60.4	-176	-173.7	-98.3	0	0	0	113	Y507 F508 Y514 A546 E547 M559 F560 Y564 L568	Y507-W510 PolarHBondContact O-N 2.91Å; Y507-W510 VanDerWaalsContact O-N 3.1Å; F508-W510 PolarHBondContact O-N 2.94Å; F508-W510 VanDerWaalsContact O-N 3.15Å; W510-Y514 VanDerWaalsContact O-CD1 3.29Å; W510-Y514 WeakPolarHBondContact O-CD1 3.36Å; W510-A546 HydrophobicContact CD2-CB 4.03Å; W510-A546 HydrophobicContact CE3-CB 3.4Å; W510-A546 VanDerWaalsContact CE3-CB 3.4Å; W510-A546 HydrophobicContact CZ3-CB 3.76Å; W510-E547 HydrophobicContact CH2-CB 3.49Å; W510-E547 VanDerWaalsContact CH2-CB 3.49Å; W510-E547 HydrophobicContact CH2-CG 3.94Å; W510-E547 HydrophobicContact CZ2-CB 3.3Å; W510-E547 HydrophobicContact CZ2-CG 3.17Å; W510-E547 HydrophobicContact CZ3-CB 4.45Å; W510-M559 HydrophobicContact CD2-CE 4.3Å; W510-M559 HydrophobicContact CE3-CE 3.88Å; W510-M559 HydrophobicContact CH2-CB 4.36Å; W510-M559 HydrophobicContact CH2-CE 3.95Å; W510-M559 HydrophobicContact CZ2-CE 4.31Å; W510-M559 HydrophobicContact CZ3-CB 3.94Å; W510-M559 HydrophobicContact CZ3-CE 3.74Å; W510-M559 HydrophobicContact CZ3-CG 4.17Å; W510-F560 AromaticContact CH2-CD1 3.9Å; W510-F560 HydrophobicContact CH2-CD1 3.9Å; W510-F560 HydrophobicContact CH2-CD2 4.15Å; W510-F560 AromaticContact CH2-CE1 3.71Å; W510-F560 HydrophobicContact CH2-CE1 3.71Å; W510-F560 AromaticContact CH2-CE2 3.96Å; W510-F560 HydrophobicContact CH2-CE2 3.96Å; W510-F560 HydrophobicContact CH2-CG 4.12Å; W510-F560 AromaticContact CH2-CZ 3.74Å; W510-F560 HydrophobicContact CH2-CZ 3.74Å; W510-F560 HydrophobicContact CZ2-CD1 4.49Å; W510-F560 AromaticContact CZ2-CE1 3.91Å; W510-F560 HydrophobicContact CZ2-CE1 3.91Å; W510-F560 HydrophobicContact CZ2-CE2 4.49Å; W510-F560 AromaticContact CZ2-CZ 3.9Å; W510-F560 HydrophobicContact CZ2-CZ 3.9Å; W510-Y564 HydrophobicContact CE3-CE1 4Å; W510-Y564 HydrophobicContact CZ3-CD1 4.42Å; W510-Y564 HydrophobicContact CZ3-CE1 4.27Å; W510-L568 HydrophobicContact CB-CD1 4.5Å
511	Y	98	Very high	98.5	Very high	75 Å²	75	42.5 Å²	42.5	29%	0.294	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.6	-179.8	-70.4	-43.9	0	0	0	113.7	Y507 Y514 R603 K609	Y507-Y511 HydrophobicContact CD1-CD2 4.35Å; Y507-Y511 HydrophobicContact CD1-CE2 4.04Å; Y507-Y511 AromaticContact CD2-CD2 3.74Å; Y507-Y511 HydrophobicContact CD2-CD2 3.74Å; Y507-Y511 AromaticContact CD2-CE2 3.58Å; Y507-Y511 HydrophobicContact CD2-CE2 3.58Å; Y507-Y511 HydrophobicContact CE1-CE2 4.42Å; Y507-Y511 HydrophobicContact CE2-CE2 4Å; Y507-Y511 AromaticContact CG-CD2 3.59Å; Y507-Y511 HydrophobicContact CG-CD2 3.59Å; Y507-Y511 AromaticContact CG-CE2 3.59Å; Y507-Y511 HydrophobicContact CG-CE2 3.59Å; Y507-Y511 PolarHBondContact O-N 3.47Å; Y507-Y511 VanDerWaalsContact O-N 3.12Å; Y511-Y514 VanDerWaalsContact C-CE1 3.46Å; Y511-Y514 WeakPolarHBondContact O-CE1 3.37Å; Y511-Y514 PolarHBondContact O-OH 2.68Å; Y511-R603 PolarHBondContact OH-NH2 3.34Å; Y511-K609 WeakPolarHBondContact OH-CE 3.33Å; Y511-K609 PolarHBondContact OH-NZ 3.07Å
512	H	96.3	Very high	98.5	Very high	124 Å²	124	46.4 Å²	46.4	57%	0.574	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-144.4	161	174.7	-42.8	95.1	0	0	0	107.9	S509 Y514	S509-H512 CarbonylContact C-O 3.32Å; S509-H512 VanDerWaalsContact CA-O 3.3Å; S509-H512 WeakPolarHBondContact CA-O 3.27Å; S509-H512 PolarHBondContact N-O 2.86Å; H512-Y514 VanDerWaalsContact C-N 3.28Å; H512-Y514 PolarHBondContact O-N 3.49Å
513	D	98.4	Very high	98.5	Very high	75 Å²	75	49 Å²	49	40%	0.401	24%	0.241	S	C	.	.	S	Bend	trans	51.2	49.9	-177.5	-53	-49.6	0	0	0	111.4	S509 G515 H516 V519 Q523	S509-D513 WeakPolarHBondContact CA-O 3.44Å; D513-G515 PolarHBondContact O-N 2.73Å; D513-G515 VanDerWaalsContact O-N 3.16Å; D513-H516 HydrophobicContact CB-CB 4.18Å; D513-H516 VanDerWaalsContact O-CB 3.31Å; D513-H516 WeakPolarHBondContact O-CB 3.45Å; D513-H516 PolarHBondContact O-CD2 3.39Å; D513-H516 PolarHBondContact O-N 2.85Å; D513-V519 HydrophobicContact CB-CG2 3.86Å; D513-Q523 PolarHBondContact OD2-NE2 2.87Å
514	Y	98.4	Very high	98.5	Very high	156 Å²	156	49 Å²	49	61%	0.612	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	118.6	-169.5	-52.3	-55.6	0	0	0	112.7	W510 Y511 H512 H516 M559	W510-Y514 VanDerWaalsContact O-CD1 3.29Å; W510-Y514 WeakPolarHBondContact O-CD1 3.36Å; Y511-Y514 VanDerWaalsContact C-CE1 3.46Å; Y511-Y514 WeakPolarHBondContact O-CE1 3.37Å; Y511-Y514 PolarHBondContact O-OH 2.68Å; H512-Y514 VanDerWaalsContact C-N 3.28Å; H512-Y514 PolarHBondContact O-N 3.49Å; Y514-H516 VanDerWaalsContact C-N 3.3Å; Y514-H516 PolarHBondContact O-CD2 3.28Å; Y514-H516 PolarHBondContact O-N 2.88Å; Y514-M559 HydrophobicContact CD1-CE 4.35Å
515	G	98.2	Very high	98.4	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-8.5	177.6	0	0	0	0	0	115.4	S509 D513 L517 Y564	S509-G515 PolarHBondContact O-N 3.19Å; S509-G515 VanDerWaalsContact O-N 3.1Å; D513-G515 PolarHBondContact O-N 2.73Å; D513-G515 VanDerWaalsContact O-N 3.16Å; G515-L517 PolarHBondContact O-N 2.9Å; G515-L517 VanDerWaalsContact O-N 3.13Å; G515-Y564 WeakPolarHBondContact CA-OH 3.41Å; G515-Y564 PolarHBondContact N-OH 3.3Å
516	H	98.7	Very high	98.4	Very high	90 Å²	90	55.4 Å²	55.4	42%	0.417	28%	0.275	S	S	.	.			trans	-86.3	81.1	-175.2	-69.4	-86.1	0	0	0	111.9	S509 D513 Y514 E518 V519	S509-H516 VanDerWaalsContact CB-O 3.31Å; S509-H516 WeakPolarHBondContact CB-O 3.39Å; D513-H516 HydrophobicContact CB-CB 4.18Å; D513-H516 VanDerWaalsContact O-CB 3.31Å; D513-H516 WeakPolarHBondContact O-CB 3.45Å; D513-H516 PolarHBondContact O-CD2 3.39Å; D513-H516 PolarHBondContact O-N 2.85Å; Y514-H516 VanDerWaalsContact C-N 3.3Å; Y514-H516 PolarHBondContact O-CD2 3.28Å; Y514-H516 PolarHBondContact O-N 2.88Å; H516-E518 VanDerWaalsContact C-OE2 3.23Å; H516-E518 VanDerWaalsContact CA-OE2 3.3Å; H516-E518 WeakPolarHBondContact CA-OE2 3.27Å; H516-E518 IonicContact CE1-OE1 2.91Å; H516-E518 IonicContact CG-OE1 2.73Å; H516-E518 IonicContact ND1-OE1 3.56Å; H516-E518 PolarHBondContact ND1-OE1 3.39Å; H516-E518 PolarHBondContact O-N 2.95Å; H516-V519 HydrophobicContact CB-CG1 4.15Å; H516-V519 HydrophobicContact CB-CG2 4.17Å; H516-V519 WeakPolarHBondContact O-CG2 2.9Å; H516-V519 PolarHBondContact O-N 3.24Å
517	L	98.7	Very high	98.4	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.12	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.8	-29.1	179.8	-65.6	170.9	0	0	0	112.8	G515 V519 I520 P557 Y564 A567 L568	G515-L517 PolarHBondContact O-N 2.9Å; G515-L517 VanDerWaalsContact O-N 3.13Å; L517-V519 PolarHBondContact O-N 3.08Å; L517-I520 HydrophobicContact CB-CD1 4.43Å; L517-I520 HydrophobicContact CD2-CD1 3.81Å; L517-I520 WeakPolarHBondContact O-CB 3.17Å; L517-I520 WeakPolarHBondContact O-CG1 3.46Å; L517-I520 PolarHBondContact O-N 2.81Å; L517-P557 HydrophobicContact CD1-CG 3.97Å; L517-Y564 HydrophobicContact CD1-CD2 4.29Å; L517-Y564 HydrophobicContact CD1-CE2 4.19Å; L517-Y564 HydrophobicContact CD2-CD2 4.34Å; L517-Y564 HydrophobicContact CD2-CE1 4.19Å; L517-Y564 HydrophobicContact CD2-CE2 3.82Å; L517-Y564 HydrophobicContact CG-CD2 4.43Å; L517-Y564 HydrophobicContact CG-CE2 3.87Å; L517-A567 HydrophobicContact CD1-CB 3.6Å; L517-L568 HydrophobicContact CD2-CB 3.92Å
518	E	98.4	Very high	98.4	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.1	-178.6	73	-78.3	-172.4	0	0	113.8	H516 P522	H516-E518 VanDerWaalsContact C-OE2 3.23Å; H516-E518 VanDerWaalsContact CA-OE2 3.3Å; H516-E518 WeakPolarHBondContact CA-OE2 3.27Å; H516-E518 IonicContact CE1-OE1 2.91Å; H516-E518 IonicContact CG-OE1 2.73Å; H516-E518 IonicContact ND1-OE1 3.56Å; H516-E518 PolarHBondContact ND1-OE1 3.39Å; H516-E518 PolarHBondContact O-N 2.95Å; E518-P522 WeakPolarHBondContact O-CD 3.24Å
519	V	98.6	Very high	98.4	Very high	32 Å²	32	57.6 Å²	57.6	19%	0.194	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-84.1	-17	-179.9	-54.3	0	0	0	0	113.4	D513 H516 L517 Q521 P522 Q523	D513-V519 HydrophobicContact CB-CG2 3.86Å; H516-V519 HydrophobicContact CB-CG1 4.15Å; H516-V519 HydrophobicContact CB-CG2 4.17Å; H516-V519 WeakPolarHBondContact O-CG2 2.9Å; H516-V519 PolarHBondContact O-N 3.24Å; L517-V519 PolarHBondContact O-N 3.08Å; V519-Q521 PolarHBondContact O-N 2.76Å; V519-P522 VanDerWaalsContact O-CD 3.25Å; V519-P522 WeakPolarHBondContact O-CD 3.37Å; V519-P522 VanDerWaalsContact O-CG 3.31Å; V519-P522 WeakPolarHBondContact O-CG 3.11Å; V519-Q523 HydrophobicContact CB-CG 4.4Å; V519-Q523 WeakPolarHBondContact O-CB 3.24Å; V519-Q523 VanDerWaalsContact O-CG 3.26Å; V519-Q523 WeakPolarHBondContact O-CG 3.39Å; V519-Q523 PolarHBondContact O-N 2.58Å; V519-Q523 VanDerWaalsContact O-N 3.12Å
520	I	98.8	Very high	98.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-53.2	-174.3	-65.5	167.7	0	0	0	110.6	F508 L517 Q523 L524 L568 N571 Y572	F508-I520 HydrophobicContact CB-CG1 4.1Å; L517-I520 HydrophobicContact CB-CD1 4.43Å; L517-I520 HydrophobicContact CD2-CD1 3.81Å; L517-I520 WeakPolarHBondContact O-CB 3.17Å; L517-I520 WeakPolarHBondContact O-CG1 3.46Å; L517-I520 PolarHBondContact O-N 2.81Å; I520-Q523 PolarHBondContact O-N 3.4Å; I520-L524 WeakPolarHBondContact O-CB 3.22Å; I520-L524 PolarHBondContact O-N 3.23Å; I520-L568 HydrophobicContact CD1-CB 4.36Å; I520-L568 HydrophobicContact CD1-CG 3.92Å; I520-N571 HydrophobicContact CB-CB 3.92Å; I520-N571 HydrophobicContact CD1-CB 3.79Å; I520-N571 HydrophobicContact CG1-CB 4.47Å; I520-N571 HydrophobicContact CG2-CB 3.82Å; I520-Y572 HydrophobicContact CD1-CD2 4.36Å; I520-Y572 HydrophobicContact CD1-CE2 4.32Å; I520-Y572 HydrophobicContact CG1-CE2 4.32Å; I520-Y572 HydrophobicContact CG2-CD2 3.43Å; I520-Y572 VanDerWaalsContact CG2-CD2 3.43Å; I520-Y572 HydrophobicContact CG2-CE2 3.57Å; I520-Y572 HydrophobicContact CG2-CG 4.05Å
521	Q	98.7	Very high	98.4	Very high	74 Å²	74	59.3 Å²	59.3	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-51.5	-174.5	-62.5	-173.7	34.4	0	0	113.5	V519 K525 N571 V575	V519-Q521 PolarHBondContact O-N 2.76Å; Q521-K525 VanDerWaalsContact O-CB 3.28Å; Q521-K525 WeakPolarHBondContact O-CB 3.49Å; Q521-K525 PolarHBondContact O-N 2.77Å; Q521-N571 HydrophobicContact CG-CB 4.31Å; Q521-N571 PolarHBondContact NE2-OD1 2.77Å; Q521-V575 HydrophobicContact CB-CG2 3.96Å; Q521-V575 HydrophobicContact CG-CG2 4.06Å
522	P	98.5	Very high	98.4	Very high	82 Å²	82	58 Å²	58	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-40.8	178.5	22.9	-32.5	0	0	0	113.1	E518 V519 S526	E518-P522 WeakPolarHBondContact O-CD 3.24Å; V519-P522 VanDerWaalsContact O-CD 3.25Å; V519-P522 WeakPolarHBondContact O-CD 3.37Å; V519-P522 VanDerWaalsContact O-CG 3.31Å; V519-P522 WeakPolarHBondContact O-CG 3.11Å; P522-S526 WeakPolarHBondContact O-CB 3.14Å; P522-S526 PolarHBondContact O-N 3.37Å; P522-S526 VanDerWaalsContact O-N 3.08Å
523	Q	98.7	Very high	98.5	Very high	57 Å²	57	59.5 Å²	59.5	27%	0.266	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-46.2	179.6	-70.4	177.6	-11.1	0	0	111.5	F508 D513 V519 I520 S526 Q527	F508-Q523 HydrophobicContact CD1-CB 3.91Å; F508-Q523 HydrophobicContact CD1-CG 4.47Å; F508-Q523 HydrophobicContact CD2-CB 4.14Å; F508-Q523 HydrophobicContact CE1-CB 3.87Å; F508-Q523 HydrophobicContact CE2-CB 4.13Å; F508-Q523 HydrophobicContact CG-CB 4.03Å; F508-Q523 VanDerWaalsContact CG-OE1 3.3Å; F508-Q523 HydrophobicContact CZ-CB 3.99Å; D513-Q523 PolarHBondContact OD2-NE2 2.87Å; V519-Q523 HydrophobicContact CB-CG 4.4Å; V519-Q523 WeakPolarHBondContact O-CB 3.24Å; V519-Q523 VanDerWaalsContact O-CG 3.26Å; V519-Q523 WeakPolarHBondContact O-CG 3.39Å; V519-Q523 PolarHBondContact O-N 2.58Å; V519-Q523 VanDerWaalsContact O-N 3.12Å; I520-Q523 PolarHBondContact O-N 3.4Å; Q523-S526 WeakPolarHBondContact O-CB 3.44Å; Q523-S526 PolarHBondContact O-N 3.46Å; Q523-Q527 PolarHBondContact O-N 2.7Å
524	L	98.6	Very high	98.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-39.1	-179.8	-174.9	61.3	0	0	0	112.5	F508 I520 S526 Q527 F528 Y572 V575 F576	F508-L524 HydrophobicContact CD2-CB 4.09Å; F508-L524 HydrophobicContact CD2-CD1 4.42Å; F508-L524 HydrophobicContact CE2-CB 3.99Å; F508-L524 HydrophobicContact CE2-CD1 4.01Å; I520-L524 WeakPolarHBondContact O-CB 3.22Å; I520-L524 PolarHBondContact O-N 3.23Å; L524-S526 VanDerWaalsContact C-N 3.33Å; L524-S526 PolarHBondContact O-N 3.47Å; L524-Q527 WeakPolarHBondContact O-CB 3.29Å; L524-Q527 PolarHBondContact O-N 3.23Å; L524-F528 HydrophobicContact CD1-CD2 4.09Å; L524-F528 HydrophobicContact CD1-CE2 3.5Å; L524-F528 HydrophobicContact CD1-CZ 3.89Å; L524-F528 HydrophobicContact CD2-CE2 4.19Å; L524-F528 HydrophobicContact CG-CD2 4.01Å; L524-F528 HydrophobicContact CG-CE2 3.58Å; L524-F528 HydrophobicContact CG-CZ 4.43Å; L524-F528 VanDerWaalsContact O-CD2 3.3Å; L524-F528 WeakPolarHBondContact O-CD2 3.47Å; L524-F528 PolarHBondContact O-N 3.38Å; L524-F528 VanDerWaalsContact O-N 3.07Å; L524-Y572 HydrophobicContact CD1-CD1 4.25Å; L524-Y572 HydrophobicContact CD1-CE1 3.99Å; L524-Y572 HydrophobicContact CD2-CD1 3.39Å; L524-Y572 HydrophobicContact CD2-CE1 3.86Å; L524-Y572 HydrophobicContact CD2-CG 3.94Å; L524-Y572 HydrophobicContact CG-CD1 4.44Å; L524-V575 HydrophobicContact CB-CG1 4.41Å; L524-V575 HydrophobicContact CB-CG2 4.4Å; L524-V575 HydrophobicContact CD2-CB 3.76Å; L524-V575 HydrophobicContact CD2-CG1 4.13Å; L524-V575 HydrophobicContact CD2-CG2 4.07Å; L524-V575 HydrophobicContact CG-CB 4.17Å; L524-V575 HydrophobicContact CG-CG1 3.98Å; L524-V575 HydrophobicContact CG-CG2 4.47Å; L524-F576 HydrophobicContact CD1-CE1 4.45Å; L524-F576 HydrophobicContact CD2-CD1 4.2Å; L524-F576 HydrophobicContact CD2-CE1 3.77Å
525	K	98.4	Very high	98.5	Very high	90 Å²	90	53.1 Å²	53.1	39%	0.391	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-46.6	172.5	-178.8	177.3	176.9	179.4	0	111	Q521 F528 E529 V575	Q521-K525 VanDerWaalsContact O-CB 3.28Å; Q521-K525 WeakPolarHBondContact O-CB 3.49Å; Q521-K525 PolarHBondContact O-N 2.77Å; K525-F528 PolarHBondContact O-N 3.46Å; K525-E529 WeakPolarHBondContact CE-OE1 3.39Å; K525-E529 WeakPolarHBondContact CG-OE1 3.27Å; K525-E529 WeakPolarHBondContact O-CB 3.31Å; K525-E529 WeakPolarHBondContact O-CG 3.23Å; K525-E529 PolarHBondContact O-N 2.9Å; K525-V575 HydrophobicContact CB-CG1 4.38Å
526	S	98.5	Very high	98.5	Very high	55 Å²	55	56.6 Å²	56.6	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-42.8	177.7	-169.4	0	0	0	0	111.9	P522 Q523 L524 E529 N530	P522-S526 WeakPolarHBondContact O-CB 3.14Å; P522-S526 PolarHBondContact O-N 3.37Å; P522-S526 VanDerWaalsContact O-N 3.08Å; Q523-S526 WeakPolarHBondContact O-CB 3.44Å; Q523-S526 PolarHBondContact O-N 3.46Å; L524-S526 VanDerWaalsContact C-N 3.33Å; L524-S526 PolarHBondContact O-N 3.47Å; S526-E529 PolarHBondContact O-N 2.81Å; S526-N530 VanDerWaalsContact O-CB 3.31Å; S526-N530 WeakPolarHBondContact O-CB 3.43Å; S526-N530 PolarHBondContact O-N 3.19Å; S526-N530 PolarHBondContact O-ND2 3.41Å; S526-N530 PolarHBondContact OG-ND2 2.86Å
527	Q	98.6	Very high	98.5	Very high	30 Å²	30	54.1 Å²	54.1	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-55.8	175.7	175.5	176.1	-75.6	0	0	111.4	V504 S506 F508 Q523 L524 E529 N530 W531	V504-Q527 HydrophobicContact CG1-CG 4.39Å; S506-Q527 VanDerWaalsContact CB-OE1 3.27Å; S506-Q527 PolarHBondContact OG-NE2 3.47Å; F508-Q527 HydrophobicContact CZ-CB 4.43Å; Q523-Q527 PolarHBondContact O-N 2.7Å; L524-Q527 WeakPolarHBondContact O-CB 3.29Å; L524-Q527 PolarHBondContact O-N 3.23Å; Q527-E529 PolarHBondContact O-N 2.86Å; Q527-N530 PolarHBondContact O-N 2.99Å; Q527-W531 WeakPolarHBondContact O-CB 3.33Å; Q527-W531 PolarHBondContact O-N 3.43Å
528	F	98.7	Very high	98.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-43.3	-178.3	-74.6	-49.8	0	0	0	112.7	L524 K525 N530 Y532 V539 Q541 V575 F576 K579 Y583 M584	L524-F528 HydrophobicContact CD1-CD2 4.09Å; L524-F528 HydrophobicContact CD1-CE2 3.5Å; L524-F528 HydrophobicContact CD1-CZ 3.89Å; L524-F528 HydrophobicContact CD2-CE2 4.19Å; L524-F528 HydrophobicContact CG-CD2 4.01Å; L524-F528 HydrophobicContact CG-CE2 3.58Å; L524-F528 HydrophobicContact CG-CZ 4.43Å; L524-F528 VanDerWaalsContact O-CD2 3.3Å; L524-F528 WeakPolarHBondContact O-CD2 3.47Å; L524-F528 PolarHBondContact O-N 3.38Å; L524-F528 VanDerWaalsContact O-N 3.07Å; K525-F528 PolarHBondContact O-N 3.46Å; F528-N530 PolarHBondContact O-N 2.94Å; F528-Y532 WeakPolarHBondContact O-CB 3.33Å; F528-Y532 PolarHBondContact O-N 2.68Å; F528-V539 HydrophobicContact CD1-CB 4.42Å; F528-V539 HydrophobicContact CD1-CG1 3.89Å; F528-V539 HydrophobicContact CE1-CG1 3.82Å; F528-Q541 HydrophobicContact CZ-CB 4.28Å; F528-V575 HydrophobicContact CD2-CG1 3.99Å; F528-V575 HydrophobicContact CE2-CG1 4.2Å; F528-F576 AromaticContact CE2-CD1 3.86Å; F528-F576 HydrophobicContact CE2-CD1 3.86Å; F528-F576 AromaticContact CE2-CE1 3.97Å; F528-F576 HydrophobicContact CE2-CE1 3.97Å; F528-F576 HydrophobicContact CZ-CD1 4.03Å; F528-F576 AromaticContact CZ-CE1 3.88Å; F528-F576 HydrophobicContact CZ-CE1 3.88Å; F528-K579 HydrophobicContact CB-CG 4.22Å; F528-K579 HydrophobicContact CD2-CB 4.48Å; F528-K579 HydrophobicContact CD2-CG 3.96Å; F528-K579 HydrophobicContact CG-CG 4.3Å; F528-Y583 HydrophobicContact CB-CE2 4.08Å; F528-Y583 PolarHBondContact O-OH 2.85Å; F528-M584 HydrophobicContact CE1-SD 4.4Å; F528-M584 HydrophobicContact CE2-SD 4.22Å; F528-M584 HydrophobicContact CZ-CE 4.11Å; F528-M584 HydrophobicContact CZ-SD 3.86Å
529	E	98.4	Very high	98.5	Very high	78 Å²	78	47.2 Å²	47.2	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-63.9	-41.4	179.7	-73.6	172	-178.2	0	0	111.9	K525 S526 Q527 K533 K579	K525-E529 WeakPolarHBondContact CE-OE1 3.39Å; K525-E529 WeakPolarHBondContact CG-OE1 3.27Å; K525-E529 WeakPolarHBondContact O-CB 3.31Å; K525-E529 WeakPolarHBondContact O-CG 3.23Å; K525-E529 PolarHBondContact O-N 2.9Å; S526-E529 PolarHBondContact O-N 2.81Å; Q527-E529 PolarHBondContact O-N 2.86Å; E529-K533 WeakPolarHBondContact O-CB 3.2Å; E529-K533 PolarHBondContact O-N 2.87Å; E529-K579 IonicContact OE1-NZ 2.66Å; E529-K579 PolarHBondContact OE1-NZ 3.32Å
530	N	98.7	Very high	98.5	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-42.9	179.8	-71.4	-31.4	0	0	0	112.8	Y490 S526 Q527 F528 T534	Y490-N530 HydrophobicContact CD1-CB 3.51Å; Y490-N530 HydrophobicContact CD2-CB 3.99Å; Y490-N530 HydrophobicContact CE1-CB 3.55Å; Y490-N530 HydrophobicContact CE2-CB 4.02Å; Y490-N530 HydrophobicContact CG-CB 3.74Å; S526-N530 VanDerWaalsContact O-CB 3.31Å; S526-N530 WeakPolarHBondContact O-CB 3.43Å; S526-N530 PolarHBondContact O-N 3.19Å; S526-N530 PolarHBondContact O-ND2 3.41Å; S526-N530 PolarHBondContact OG-ND2 2.86Å; Q527-N530 PolarHBondContact O-N 2.99Å; F528-N530 PolarHBondContact O-N 2.94Å; N530-T534 VanDerWaalsContact O-CB 3.32Å; N530-T534 WeakPolarHBondContact O-CB 3.47Å; N530-T534 PolarHBondContact O-N 2.97Å; N530-T534 PolarHBondContact O-OG1 2.97Å
531	W	98.6	Very high	98.5	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-50.9	174.8	-85.6	114.3	0	0	0	111.3	T486 T488 D493 A496 I502 V504 Q527 T534 H535	T486-W531 HydrophobicContact CG2-CH2 3.66Å; T486-W531 HydrophobicContact CG2-CZ2 3.57Å; T488-W531 VanDerWaalsContact O-CZ2 3.27Å; T488-W531 WeakPolarHBondContact O-CZ2 3.35Å; D493-W531 HydrophobicContact CB-CH2 3.84Å; D493-W531 HydrophobicContact CB-CZ3 4.47Å; A496-W531 HydrophobicContact CB-CH2 4.08Å; A496-W531 HydrophobicContact CB-CZ3 3.61Å; I502-W531 HydrophobicContact CD1-CE3 3.93Å; I502-W531 HydrophobicContact CG2-CD2 4.06Å; I502-W531 HydrophobicContact CG2-CE3 3.81Å; I502-W531 HydrophobicContact CG2-CZ3 4.1Å; V504-W531 HydrophobicContact CG2-CD2 4.17Å; V504-W531 HydrophobicContact CG2-CG 4.23Å; V504-W531 HydrophobicContact CG2-CZ2 4.23Å; Q527-W531 WeakPolarHBondContact O-CB 3.33Å; Q527-W531 PolarHBondContact O-N 3.43Å; W531-T534 PolarHBondContact O-N 3.28Å; W531-H535 AromaticContact CE3-CD2 3.47Å; W531-H535 VanDerWaalsContact CE3-CD2 3.47Å; W531-H535 AromaticContact CE3-NE2 3.77Å; W531-H535 AromaticContact CZ3-CD2 3.7Å; W531-H535 AromaticContact CZ3-NE2 3.53Å; W531-H535 PolarHBondContact O-N 2.78Å
532	Y	98.4	Very high	98.5	Very high	48 Å²	48	42.2 Å²	42.2	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-38.7	-178.7	-170	-109.9	0	0	0	112.6	E336 F528 T534 K536 K537 Y583	E336-Y532 WeakPolarHBondContact O-CE2 3.42Å; F528-Y532 WeakPolarHBondContact O-CB 3.33Å; F528-Y532 PolarHBondContact O-N 2.68Å; Y532-T534 VanDerWaalsContact C-N 3.3Å; Y532-T534 PolarHBondContact O-N 3.08Å; Y532-K536 WeakPolarHBondContact O-CA 3.49Å; Y532-K536 WeakPolarHBondContact O-CD 3.29Å; Y532-K536 PolarHBondContact O-N 3.46Å; Y532-K537 WeakPolarHBondContact CD2-O 3.47Å; Y532-Y583 AromaticContact CD1-CD1 3.42Å; Y532-Y583 HydrophobicContact CD1-CD1 3.42Å; Y532-Y583 VanDerWaalsContact CD1-CD1 3.42Å; Y532-Y583 HydrophobicContact CD1-CD2 4.5Å; Y532-Y583 AromaticContact CD1-CE1 3.54Å; Y532-Y583 HydrophobicContact CD1-CE1 3.54Å; Y532-Y583 AromaticContact CD1-CG 3.94Å; Y532-Y583 HydrophobicContact CD1-CG 3.94Å; Y532-Y583 AromaticContact CD2-CD1 3.74Å; Y532-Y583 HydrophobicContact CD2-CD1 3.74Å; Y532-Y583 AromaticContact CD2-CD2 3.63Å; Y532-Y583 HydrophobicContact CD2-CD2 3.63Å; Y532-Y583 HydrophobicContact CD2-CE1 4.37Å; Y532-Y583 HydrophobicContact CD2-CE2 4.28Å; Y532-Y583 AromaticContact CD2-CG 3.33Å; Y532-Y583 HydrophobicContact CD2-CG 3.33Å; Y532-Y583 AromaticContact CE1-CD1 3.57Å; Y532-Y583 HydrophobicContact CE1-CD1 3.57Å; Y532-Y583 HydrophobicContact CE1-CE1 4.08Å; Y532-Y583 HydrophobicContact CE1-CG 4.14Å; Y532-Y583 AromaticContact CE2-CD1 3.89Å; Y532-Y583 HydrophobicContact CE2-CD1 3.89Å; Y532-Y583 HydrophobicContact CE2-CD2 4.3Å; Y532-Y583 AromaticContact CE2-CG 3.57Å; Y532-Y583 HydrophobicContact CE2-CG 3.57Å; Y532-Y583 AromaticContact CG-CD1 3.5Å; Y532-Y583 HydrophobicContact CG-CD1 3.5Å; Y532-Y583 AromaticContact CG-CD2 3.74Å; Y532-Y583 HydrophobicContact CG-CD2 3.74Å; Y532-Y583 AromaticContact CG-CE1 3.7Å; Y532-Y583 HydrophobicContact CG-CE1 3.7Å; Y532-Y583 AromaticContact CG-CE2 3.93Å; Y532-Y583 HydrophobicContact CG-CE2 3.93Å; Y532-Y583 AromaticContact CG-CG 3.53Å; Y532-Y583 HydrophobicContact CG-CG 3.53Å; Y532-Y583 AromaticContact CG-CZ 3.91Å; Y532-Y583 AromaticContact CZ-CD1 3.79Å; Y532-Y583 AromaticContact CZ-CG 3.96Å
533	K	98.2	Very high	98.6	Very high	155 Å²	155	38.6 Å²	38.6	67%	0.674	19%	0.185	S	C	*	.	H	α-helix	trans	-60.7	-40.4	176	-178.4	179.6	177.1	-175.8	0	111.8	E529 K536	E529-K533 WeakPolarHBondContact O-CB 3.2Å; E529-K533 PolarHBondContact O-N 2.87Å; K533-K536 WeakPolarHBondContact O-CE 3.37Å
534	T	98.3	Very high	98.6	Very high	67 Å²	67	35.9 Å²	35.9	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-77.2	-43.3	-175.4	-56.3	0	0	0	0	112.5	Y490 N530 W531 Y532	Y490-T534 HydrophobicContact CD2-CG2 4.4Å; Y490-T534 WeakPolarHBondContact CD2-OG1 3.48Å; N530-T534 VanDerWaalsContact O-CB 3.32Å; N530-T534 WeakPolarHBondContact O-CB 3.47Å; N530-T534 PolarHBondContact O-N 2.97Å; N530-T534 PolarHBondContact O-OG1 2.97Å; W531-T534 PolarHBondContact O-N 3.28Å; Y532-T534 VanDerWaalsContact C-N 3.3Å; Y532-T534 PolarHBondContact O-N 3.08Å
535	H	97.9	Very high	98.6	Very high	31 Å²	31	36 Å²	36	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-113	-18.3	-167.8	-64.4	-78	0	0	0	115.5	Y490 I502 W531 K537	Y490-H535 PolarHBondContact O-NE2 2.94Å; I502-H535 HydrophobicContact CD1-CB 3.58Å; W531-H535 AromaticContact CE3-CD2 3.47Å; W531-H535 VanDerWaalsContact CE3-CD2 3.47Å; W531-H535 AromaticContact CE3-NE2 3.77Å; W531-H535 AromaticContact CZ3-CD2 3.7Å; W531-H535 AromaticContact CZ3-NE2 3.53Å; W531-H535 PolarHBondContact O-N 2.78Å; H535-K537 VanDerWaalsContact C-N 3.32Å; H535-K537 HydrophobicContact CB-CD 4.45Å; H535-K537 PolarHBondContact O-N 2.9Å
536	K	98.1	Very high	98.6	Very high	106 Å²	106	31.7 Å²	31.7	46%	0.461	15%	0.154	S	C	.	.			trans	53.7	44.6	179.9	-55.6	-67	172.1	-170.2	0	113.7	Y532 K533	Y532-K536 WeakPolarHBondContact O-CA 3.49Å; Y532-K536 WeakPolarHBondContact O-CD 3.29Å; Y532-K536 PolarHBondContact O-N 3.46Å; K533-K536 WeakPolarHBondContact O-CE 3.37Å
537	K	98.6	Very high	98.6	Very high	38 Å²	38	29.1 Å²	29.1	17%	0.165	14%	0.136	C	C	.	.			trans	-127.5	153.1	179.3	-69.1	171.9	-168.8	178.5	0	110.2	E336 A496 P497 V499 I502 Y532 H535	E336-K537 CarbonylContact O-C 3.28Å; E336-K537 VanDerWaalsContact O-C 3.28Å; E336-K537 WeakPolarHBondContact O-CA 3.35Å; A496-K537 PolarHBondContact O-NZ 2.71Å; A496-K537 VanDerWaalsContact O-NZ 3.12Å; P497-K537 VanDerWaalsContact C-NZ 3.27Å; P497-K537 PolarHBondContact O-NZ 2.83Å; V499-K537 HydrophobicContact CG2-CD 4.45Å; V499-K537 VanDerWaalsContact O-CD 3.31Å; V499-K537 WeakPolarHBondContact O-CD 3.37Å; V499-K537 VanDerWaalsContact O-CE 3.22Å; V499-K537 WeakPolarHBondContact O-CE 3.35Å; V499-K537 PolarHBondContact O-NZ 3.14Å; I502-K537 HydrophobicContact CD1-CB 4Å; I502-K537 HydrophobicContact CG1-CB 4.02Å; I502-K537 HydrophobicContact CG1-CD 4.35Å; Y532-K537 WeakPolarHBondContact CD2-O 3.47Å; H535-K537 VanDerWaalsContact C-N 3.32Å; H535-K537 HydrophobicContact CB-CD 4.45Å; H535-K537 PolarHBondContact O-N 2.9Å
538	P	98.8	Very high	98.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.129	C	C	.	.			trans	-63.4	149.7	174.2	25.7	-31.1	0	0	0	110.9	V334 T335 E336 V501 I502 Y583 V585	V334-P538 HydrophobicContact CG1-CG 3.63Å; T335-P538 VanDerWaalsContact O-CD 3.28Å; T335-P538 WeakPolarHBondContact O-CD 3.36Å; E336-P538 WeakPolarHBondContact O-CD 3.48Å; V501-P538 HydrophobicContact CG1-CG 4.35Å; V501-P538 HydrophobicContact CG2-CG 4.19Å; I502-P538 PolarHBondContact N-O 3.24Å; P538-Y583 WeakPolarHBondContact CA-O 3.24Å; P538-V585 HydrophobicContact CB-CB 4.34Å; P538-V585 HydrophobicContact CB-CG1 3.55Å; P538-V585 HydrophobicContact CB-CG2 3.82Å
539	V	98.8	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135	-174.2	-172	0	0	0	0	110.6	I502 V504 F528 Y583 M584 V585	I502-V539 HydrophobicContact CB-CG2 4.38Å; I502-V539 CarbonylContact O-C 3.52Å; I502-V539 VanDerWaalsContact O-CA 3.32Å; I502-V539 WeakPolarHBondContact O-CA 3.05Å; V504-V539 HydrophobicContact CG2-CG1 4.15Å; F528-V539 HydrophobicContact CD1-CB 4.42Å; F528-V539 HydrophobicContact CD1-CG1 3.89Å; F528-V539 HydrophobicContact CE1-CG1 3.82Å; V539-Y583 HydrophobicContact CG2-CD2 4.11Å; V539-Y583 HydrophobicContact CG2-CE2 4.49Å; V539-Y583 PolarHBondContact N-O 3.21Å; V539-M584 CarbonylContact O-C 3.49Å; V539-M584 VanDerWaalsContact O-CA 3.28Å; V539-M584 WeakPolarHBondContact O-CA 3.47Å; V539-V585 PolarHBondContact O-N 2.63Å
540	I	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	168.4	-63.6	178.9	0	0	0	107.6	F348 I407 M448 V501 I502 C503 V504 S542 V585 G586 L588	F348-I540 HydrophobicContact CD2-CD1 3.78Å; F348-I540 HydrophobicContact CD2-CG1 4.48Å; F348-I540 HydrophobicContact CE2-CD1 3.83Å; F348-I540 HydrophobicContact CG-CD1 4.34Å; F348-I540 HydrophobicContact CZ-CD1 4.4Å; I407-I540 HydrophobicContact CD1-CD1 4.1Å; M448-I540 HydrophobicContact CE-CD1 3.81Å; V501-I540 HydrophobicContact CG1-CD1 3.89Å; V501-I540 HydrophobicContact CG1-CG1 3.92Å; I502-I540 PolarHBondContact O-N 2.81Å; C503-I540 WeakPolarHBondContact CA-O 3.32Å; V504-I540 PolarHBondContact N-O 2.95Å; I540-S542 PolarHBondContact O-N 2.92Å; I540-S542 VanDerWaalsContact O-N 3.13Å; I540-V585 HydrophobicContact CD1-CG2 4.19Å; I540-V585 HydrophobicContact CG1-CG2 3.6Å; I540-G586 WeakPolarHBondContact CA-O 3.26Å; I540-L588 HydrophobicContact CG2-CD1 4.28Å; I540-L588 HydrophobicContact CG2-CG 4.32Å
541	Q	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	95.7	162.3	-173.8	67.3	42.2	0	0	107.1	V504 S506 F528 E543 Y544 F576 M584 G586 L588	V504-Q541 PolarHBondContact O-NE2 3.43Å; S506-Q541 VanDerWaalsContact N-NE2 3.17Å; S506-Q541 PolarHBondContact OG-NE2 2.91Å; S506-Q541 PolarHBondContact OG-OE1 3.37Å; F528-Q541 HydrophobicContact CZ-CB 4.28Å; Q541-E543 PolarHBondContact NE2-O 3.33Å; Q541-Y544 HydrophobicContact CG-CD1 3.77Å; Q541-Y544 HydrophobicContact CG-CG 4.24Å; Q541-F576 HydrophobicContact CB-CE1 4.02Å; Q541-F576 HydrophobicContact CB-CZ 3.95Å; Q541-F576 HydrophobicContact CG-CE1 3.98Å; Q541-F576 HydrophobicContact CG-CZ 3.68Å; Q541-M584 HydrophobicContact CB-CE 3.72Å; Q541-G586 PolarHBondContact N-O 3.23Å; Q541-L588 PolarHBondContact O-N 2.67Å
542	S	98.8	Very high	98.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-24.9	-171.7	43.4	0	0	0	0	113	N352 V485 V504 N505 I540 L588	N352-S542 PolarHBondContact ND2-O 2.65Å; N352-S542 PolarHBondContact OD1-O 2.87Å; V485-S542 WeakPolarHBondContact CG1-OG 3.42Å; V504-S542 VanDerWaalsContact C-OG 3.23Å; V504-S542 PolarHBondContact N-OG 3.05Å; V504-S542 PolarHBondContact O-N 3.05Å; V504-S542 PolarHBondContact O-OG 2.86Å; N505-S542 PolarHBondContact OD1-OG 2.94Å; I540-S542 PolarHBondContact O-N 2.92Å; I540-S542 VanDerWaalsContact O-N 3.13Å; S542-L588 CarbonylContact C-O 3.6Å; S542-L588 WeakPolarHBondContact O-CB 3.47Å
543	E	98.9	Very high	98.6	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138.6	170.7	-63.9	-179.3	-149.2	0	0	111.9	R385 H388 N453 N505 S506 Y507 Q541 W590	R385-E543 IonicContact CZ-OE1 3.95Å; R385-E543 IonicContact NH1-OE1 2.95Å; R385-E543 IonicContact NH2-OE1 3.63Å; R385-E543 PolarHBondContact NH2-OE1 2.92Å; H388-E543 IonicContact CE1-OE1 3.95Å; N453-E543 PolarHBondContact OD1-OE1 3.3Å; N505-E543 HydrophobicContact CB-CB 4.04Å; N505-E543 VanDerWaalsContact CG-CB 3.49Å; N505-E543 VanDerWaalsContact CG-CD 3.49Å; N505-E543 PolarHBondContact ND2-OE1 3.03Å; N505-E543 PolarHBondContact ND2-OE2 3.41Å; N505-E543 VanDerWaalsContact OD1-CB 3.27Å; N505-E543 WeakPolarHBondContact OD1-CB 3.28Å; N505-E543 WeakPolarHBondContact OD1-CG 3.29Å; N505-E543 PolarHBondContact OD1-N 3.42Å; S506-E543 PolarHBondContact N-O 2.93Å; S506-E543 VanDerWaalsContact N-O 3.15Å; Y507-E543 HydrophobicContact CE2-CB 4.06Å; Y507-E543 WeakPolarHBondContact OH-CB 3.22Å; Y507-E543 PolarHBondContact OH-OE2 3.29Å; Q541-E543 PolarHBondContact NE2-O 3.33Å; E543-W590 HydrophobicContact CB-CB 4.03Å; E543-W590 VanDerWaalsContact CD-CE3 3.44Å; E543-W590 HydrophobicContact CG-CB 4.24Å; E543-W590 HydrophobicContact CG-CD2 4.25Å; E543-W590 HydrophobicContact CG-CE3 3.66Å; E543-W590 HydrophobicContact CG-CZ3 4.39Å
544	Y	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-160.7	155	168.9	67.6	-71.8	0	0	0	108.3	Q541 L569 Y572 H573 F576 E587 L588 I589 W590	Q541-Y544 HydrophobicContact CG-CD1 3.77Å; Q541-Y544 HydrophobicContact CG-CG 4.24Å; Y544-L569 HydrophobicContact CE2-CG 3.97Å; Y544-Y572 AromaticContact CD2-CD1 3.85Å; Y544-Y572 HydrophobicContact CD2-CD1 3.85Å; Y544-Y572 HydrophobicContact CD2-CD2 4.35Å; Y544-Y572 HydrophobicContact CD2-CE1 4.44Å; Y544-Y572 AromaticContact CD2-CG 3.78Å; Y544-Y572 HydrophobicContact CD2-CG 3.78Å; Y544-Y572 HydrophobicContact CE2-CG 4.49Å; Y544-Y572 HydrophobicContact CG-CD1 4.02Å; Y544-Y572 HydrophobicContact CG-CE1 4.29Å; Y544-Y572 HydrophobicContact CG-CG 4.41Å; Y544-H573 AromaticContact CE2-NE2 3.72Å; Y544-H573 AromaticContact CZ-NE2 3.79Å; Y544-H573 PolarHBondContact OH-NE2 2.72Å; Y544-F576 HydrophobicContact CD1-CE2 4.33Å; Y544-F576 HydrophobicContact CD1-CZ 4.15Å; Y544-F576 HydrophobicContact CD2-CE2 4.3Å; Y544-F576 HydrophobicContact CD2-CZ 4.22Å; Y544-F576 AromaticContact CE1-CE2 3.87Å; Y544-F576 HydrophobicContact CE1-CE2 3.87Å; Y544-F576 HydrophobicContact CE1-CZ 4.14Å; Y544-F576 AromaticContact CE2-CE2 3.82Å; Y544-F576 HydrophobicContact CE2-CE2 3.82Å; Y544-F576 HydrophobicContact CE2-CZ 4.2Å; Y544-F576 HydrophobicContact CG-CZ 4.2Å; Y544-F576 AromaticContact CZ-CE2 3.62Å; Y544-E587 HydrophobicContact CE1-CB 4.33Å; Y544-E587 PolarHBondContact OH-OE2 2.67Å; Y544-L588 WeakPolarHBondContact CD1-O 3.28Å; Y544-I589 HydrophobicContact CD1-CD1 4.48Å; Y544-I589 HydrophobicContact CD2-CD1 3.97Å; Y544-I589 HydrophobicContact CE1-CB 4.16Å; Y544-I589 HydrophobicContact CE1-CD1 4.19Å; Y544-I589 HydrophobicContact CE2-CD1 3.64Å; Y544-I589 HydrophobicContact CG-CD1 4.37Å; Y544-I589 VanDerWaalsContact O-CD1 3.25Å; Y544-I589 WeakPolarHBondContact O-CD1 3.41Å; Y544-W590 PolarHBondContact O-N 3.26Å
545	G	98.6	Very high	98.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	20%	0.198	C	C	.	.			trans	154.4	178.1	179	0	0	0	0	0	113.2	Y507	Y507-G545 WeakPolarHBondContact CD1-O 3.32Å
546	A	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.			trans	-131.5	150	172.8	0	0	0	0	0	109.2	W510 Y564 Q565 L568 K609	W510-A546 HydrophobicContact CD2-CB 4.03Å; W510-A546 HydrophobicContact CE3-CB 3.4Å; W510-A546 VanDerWaalsContact CE3-CB 3.4Å; W510-A546 HydrophobicContact CZ3-CB 3.76Å; A546-Y564 HydrophobicContact CB-CD1 3.99Å; A546-Y564 HydrophobicContact CB-CE1 4.17Å; A546-Q565 PolarHBondContact O-NE2 3.21Å; A546-L568 HydrophobicContact CB-CD1 3.84Å; A546-K609 WeakPolarHBondContact O-CA 3.25Å
547	E	98.8	Very high	98.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.211	C	C	.	.			trans	-66.1	139.5	168.6	-56.9	-93.4	153.5	0	0	108.1	W510 F560 N607 K608 K609	W510-E547 HydrophobicContact CH2-CB 3.49Å; W510-E547 VanDerWaalsContact CH2-CB 3.49Å; W510-E547 HydrophobicContact CH2-CG 3.94Å; W510-E547 HydrophobicContact CZ2-CB 3.3Å; W510-E547 HydrophobicContact CZ2-CG 3.17Å; W510-E547 HydrophobicContact CZ3-CB 4.45Å; E547-F560 HydrophobicContact CB-CD1 3.68Å; E547-F560 HydrophobicContact CB-CE1 3.58Å; E547-F560 HydrophobicContact CG-CE1 4.1Å; E547-F560 WeakPolarHBondContact O-CA 3.5Å; E547-N607 PolarHBondContact OE1-ND2 3.13Å; E547-N607 PolarHBondContact OE1-OD1 2.84Å; E547-K608 HydrophobicContact CB-CB 4.3Å; E547-K608 VanDerWaalsContact OE2-CA 3.26Å; E547-K608 WeakPolarHBondContact OE2-CA 3.47Å; E547-K608 WeakPolarHBondContact OE2-CB 3.39Å; E547-K608 PolarHBondContact OE2-N 2.86Å; E547-K609 HydrophobicContact CB-CG 4.36Å; E547-K609 HydrophobicContact CG-CG 3.8Å; E547-K609 WeakPolarHBondContact OE1-CG 3.38Å; E547-K609 IonicContact OE1-NZ 3.38Å; E547-K609 PolarHBondContact OE1-NZ 3.01Å
548	A	98.5	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-140.8	122.8	179.2	0	0	0	0	0	110.1	F560 Q565 K608 K619	A548-F560 WeakPolarHBondContact CA-O 3.42Å; A548-Q565 HydrophobicContact CB-CB 3.97Å; A548-Q565 HydrophobicContact CB-CG 4.15Å; A548-K608 PolarHBondContact N-O 3.21Å; A548-K619 HydrophobicContact CB-CD 4.26Å; A548-K619 PolarHBondContact O-NZ 3.04Å
549	I	98.6	Very high	98.6	Very high	30 Å²	30	42.9 Å²	42.9	15%	0.154	24%	0.241	C	C	.	.			trans	-89.2	118.9	174.8	-53	-57.1	0	0	0	107.5	G551 F552 F560 V604 K608	I549-G551 PolarHBondContact O-N 3.5Å; I549-F552 HydrophobicContact CB-CB 4.26Å; I549-F552 HydrophobicContact CB-CD1 3.86Å; I549-F552 HydrophobicContact CB-CD2 4.25Å; I549-F552 HydrophobicContact CB-CE1 4.27Å; I549-F552 HydrophobicContact CB-CG 3.86Å; I549-F552 HydrophobicContact CG2-CD1 3.61Å; I549-F552 HydrophobicContact CG2-CE1 3.7Å; I549-F552 HydrophobicContact CG2-CG 4.15Å; I549-F552 HydrophobicContact CG2-CZ 4.3Å; I549-F552 WeakPolarHBondContact O-CB 3.39Å; I549-F552 PolarHBondContact O-N 2.9Å; I549-F560 HydrophobicContact CG1-CB 4.26Å; I549-F560 HydrophobicContact CG1-CD1 4.34Å; I549-F560 PolarHBondContact N-O 3.48Å; I549-V604 HydrophobicContact CD1-CB 3.96Å; I549-V604 HydrophobicContact CD1-CG1 3.96Å; I549-V604 HydrophobicContact CD1-CG2 4.29Å; I549-K608 HydrophobicContact CD1-CB 3.99Å; I549-K608 HydrophobicContact CD1-CD 4.1Å; I549-K608 HydrophobicContact CD1-CG 3.62Å
550	A	98.2	Very high	98.5	Very high	52 Å²	52	45.9 Å²	45.9	43%	0.43	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	129.2	179.6	0	0	0	0	0	110.6	E562 T613	A550-E562 WeakPolarHBondContact CA-OE1 3.32Å; A550-T613 HydrophobicContact CB-CG2 4.16Å
551	G	97.9	Very high	98.5	Very high	51 Å²	51	46 Å²	46	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-1.7	-176.6	0	0	0	0	0	116	I549 H553 E562	I549-G551 PolarHBondContact O-N 3.5Å; G551-H553 PolarHBondContact O-CD2 3.25Å; G551-E562 PolarHBondContact N-OE1 2.9Å
552	F	98.6	Very high	98.5	Very high	124 Å²	124	46.7 Å²	46.7	54%	0.544	26%	0.259	S	S	.	.			trans	-82.4	118.2	167.1	-81.6	38.8	0	0	0	108.5	I549 S561 E562	I549-F552 HydrophobicContact CB-CB 4.26Å; I549-F552 HydrophobicContact CB-CD1 3.86Å; I549-F552 HydrophobicContact CB-CD2 4.25Å; I549-F552 HydrophobicContact CB-CE1 4.27Å; I549-F552 HydrophobicContact CB-CG 3.86Å; I549-F552 HydrophobicContact CG2-CD1 3.61Å; I549-F552 HydrophobicContact CG2-CE1 3.7Å; I549-F552 HydrophobicContact CG2-CG 4.15Å; I549-F552 HydrophobicContact CG2-CZ 4.3Å; I549-F552 WeakPolarHBondContact O-CB 3.39Å; I549-F552 PolarHBondContact O-N 2.9Å; F552-S561 VanDerWaalsContact O-CA 3.31Å; F552-S561 WeakPolarHBondContact O-CA 3.38Å; F552-E562 PolarHBondContact O-N 3.06Å
553	H	98.6	Very high	98.5	Very high	105 Å²	105	49.3 Å²	49.3	49%	0.486	27%	0.271	S	S	.	.			trans	-125.7	141.9	179.2	-65.1	-75.2	0	0	0	110.6	G551 E563	G551-H553 PolarHBondContact O-CD2 3.25Å; H553-E563 VanDerWaalsContact CA-OE2 3.25Å; H553-E563 WeakPolarHBondContact CA-OE2 3.35Å; H553-E563 IonicContact CE1-OE1 3.59Å; H553-E563 IonicContact CG-OE1 3.86Å; H553-E563 IonicContact CG-OE2 4Å; H553-E563 IonicContact ND1-OE1 3.76Å; H553-E563 PolarHBondContact ND1-OE1 2.9Å; H553-E563 IonicContact ND1-OE2 2.67Å; H553-E563 PolarHBondContact ND1-OE2 3.42Å
554	E	98.5	Very high	98.5	Very high	98 Å²	98	49 Å²	49	46%	0.458	27%	0.27	S	S	.	.			trans	-156.9	147	178.5	-166.4	61.8	-102.6	0	0	112.1	P556 L558 E563	E554-P556 WeakPolarHBondContact CG-O 3.46Å; E554-L558 HydrophobicContact CB-CB 4.35Å; E554-L558 HydrophobicContact CB-CG 4.43Å; E554-L558 HydrophobicContact CG-CB 4.07Å; E554-L558 HydrophobicContact CG-CD1 3.72Å; E554-L558 HydrophobicContact CG-CG 3.66Å; E554-E563 PolarHBondContact N-OE2 2.61Å
555	D	97.4	Very high	98.5	Very high	138 Å²	138	49.1 Å²	49.1	74%	0.738	27%	0.27	S	S	*	.	S	Bend	trans	-136.1	123.9	168.9	-177.1	63.7	0	0	0	110.1
556	P	97.8	Very high	98.5	Very high	93 Å²	93	53.2 Å²	53.2	60%	0.604	29%	0.287	S	S	*	.	S	Bend	cis	-60.7	158.6	-2.5	-21.9	34.2	0	0	0	113.5	E554 L558	E554-P556 WeakPolarHBondContact CG-O 3.46Å; P556-L558 PolarHBondContact O-N 3.37Å
557	P	98.5	Very high	98.5	Very high	41 Å²	41	53.9 Å²	53.9	27%	0.266	29%	0.293	S	S	.	.			trans	-59.8	123.6	-176.6	23.7	-33.7	0	0	0	111.4	L517 E563 Y564 A567	L517-P557 HydrophobicContact CD1-CG 3.97Å; P557-E563 HydrophobicContact CB-CB 4.12Å; P557-Y564 HydrophobicContact CB-CD2 4.34Å; P557-A567 HydrophobicContact CG-CB 4.35Å
558	L	98.8	Very high	98.5	Very high	101 Å²	101	53.9 Å²	53.9	53%	0.529	29%	0.293	S	S	.	.			trans	-112.5	151.3	175.9	-64.5	-171.6	0	0	0	111.8	E554 P556 F560 S561 Y564	E554-L558 HydrophobicContact CB-CB 4.35Å; E554-L558 HydrophobicContact CB-CG 4.43Å; E554-L558 HydrophobicContact CG-CB 4.07Å; E554-L558 HydrophobicContact CG-CD1 3.72Å; E554-L558 HydrophobicContact CG-CG 3.66Å; P556-L558 PolarHBondContact O-N 3.37Å; L558-F560 PolarHBondContact O-N 2.95Å; L558-S561 PolarHBondContact N-OG 3.2Å; L558-S561 VanDerWaalsContact O-CB 3.28Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.06Å; L558-S561 PolarHBondContact O-OG 3.45Å; L558-Y564 WeakPolarHBondContact O-CB 3.28Å
559	M	98.8	Very high	98.5	Very high	58 Å²	58	53.9 Å²	53.9	29%	0.286	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	142	177.7	-65.4	177.2	73.8	0	0	111.4	W510 Y514 S561 Y564	W510-M559 HydrophobicContact CD2-CE 4.3Å; W510-M559 HydrophobicContact CE3-CE 3.88Å; W510-M559 HydrophobicContact CH2-CB 4.36Å; W510-M559 HydrophobicContact CH2-CE 3.95Å; W510-M559 HydrophobicContact CZ2-CE 4.31Å; W510-M559 HydrophobicContact CZ3-CB 3.94Å; W510-M559 HydrophobicContact CZ3-CE 3.74Å; W510-M559 HydrophobicContact CZ3-CG 4.17Å; Y514-M559 HydrophobicContact CD1-CE 4.35Å; M559-S561 PolarHBondContact O-N 3.3Å; M559-Y564 HydrophobicContact CG-CE1 4.28Å; M559-Y564 HydrophobicContact CG-CE2 4.16Å
560	F	98.6	Very high	98.5	Very high	64 Å²	64	56.8 Å²	56.8	28%	0.281	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	73.7	-13.6	-173.5	-54.8	-84.9	0	0	0	117.1	W510 E547 A548 I549 L558	W510-F560 AromaticContact CH2-CD1 3.9Å; W510-F560 HydrophobicContact CH2-CD1 3.9Å; W510-F560 HydrophobicContact CH2-CD2 4.15Å; W510-F560 AromaticContact CH2-CE1 3.71Å; W510-F560 HydrophobicContact CH2-CE1 3.71Å; W510-F560 AromaticContact CH2-CE2 3.96Å; W510-F560 HydrophobicContact CH2-CE2 3.96Å; W510-F560 HydrophobicContact CH2-CG 4.12Å; W510-F560 AromaticContact CH2-CZ 3.74Å; W510-F560 HydrophobicContact CH2-CZ 3.74Å; W510-F560 HydrophobicContact CZ2-CD1 4.49Å; W510-F560 AromaticContact CZ2-CE1 3.91Å; W510-F560 HydrophobicContact CZ2-CE1 3.91Å; W510-F560 HydrophobicContact CZ2-CE2 4.49Å; W510-F560 AromaticContact CZ2-CZ 3.9Å; W510-F560 HydrophobicContact CZ2-CZ 3.9Å; E547-F560 HydrophobicContact CB-CD1 3.68Å; E547-F560 HydrophobicContact CB-CE1 3.58Å; E547-F560 HydrophobicContact CG-CE1 4.1Å; E547-F560 WeakPolarHBondContact O-CA 3.5Å; A548-F560 WeakPolarHBondContact CA-O 3.42Å; I549-F560 HydrophobicContact CG1-CB 4.26Å; I549-F560 HydrophobicContact CG1-CD1 4.34Å; I549-F560 PolarHBondContact N-O 3.48Å; L558-F560 PolarHBondContact O-N 2.95Å
561	S	98.8	Very high	98.5	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.021	29%	0.293	C	S	.	.	S	Bend	trans	-73.1	153.6	171	68.6	0	0	0	0	112.1	F552 L558 M559 E563 Y564 Q565	F552-S561 VanDerWaalsContact O-CA 3.31Å; F552-S561 WeakPolarHBondContact O-CA 3.38Å; L558-S561 PolarHBondContact N-OG 3.2Å; L558-S561 VanDerWaalsContact O-CB 3.28Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.06Å; L558-S561 PolarHBondContact O-OG 3.45Å; M559-S561 PolarHBondContact O-N 3.3Å; S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 PolarHBondContact O-N 2.93Å; S561-Y564 PolarHBondContact O-N 3.38Å; S561-Y564 WeakPolarHBondContact OG-CB 3.32Å; S561-Y564 PolarHBondContact OG-N 2.89Å; S561-Y564 VanDerWaalsContact OG-N 3.11Å; S561-Q565 PolarHBondContact O-N 3.24Å
562	E	98.7	Very high	98.6	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-34.3	174	-65.3	-163.2	-152.1	0	0	111.8	A550 G551 F552 Y564 Q565 K566 N620	A550-E562 WeakPolarHBondContact CA-OE1 3.32Å; G551-E562 PolarHBondContact N-OE1 2.9Å; F552-E562 PolarHBondContact O-N 3.06Å; E562-Y564 VanDerWaalsContact C-N 3.35Å; E562-Y564 PolarHBondContact O-N 2.95Å; E562-Q565 PolarHBondContact O-N 3.11Å; E562-K566 PolarHBondContact O-N 3.35Å; E562-N620 HydrophobicContact CB-CB 4.42Å; E562-N620 VanDerWaalsContact OE2-CB 3.23Å; E562-N620 WeakPolarHBondContact OE2-CB 3.26Å; E562-N620 PolarHBondContact OE2-N 3.08Å; E562-N620 PolarHBondContact OE2-ND2 2.74Å
563	E	98.8	Very high	98.6	Very high	56 Å²	56	48 Å²	48	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-35.2	176.8	-70.3	66.9	-138.2	0	0	112.2	H553 E554 P557 S561 K566 A567	H553-E563 VanDerWaalsContact CA-OE2 3.25Å; H553-E563 WeakPolarHBondContact CA-OE2 3.35Å; H553-E563 IonicContact CE1-OE1 3.59Å; H553-E563 IonicContact CG-OE1 3.86Å; H553-E563 IonicContact CG-OE2 4Å; H553-E563 IonicContact ND1-OE1 3.76Å; H553-E563 PolarHBondContact ND1-OE1 2.9Å; H553-E563 IonicContact ND1-OE2 2.67Å; H553-E563 PolarHBondContact ND1-OE2 3.42Å; E554-E563 PolarHBondContact N-OE2 2.61Å; P557-E563 HydrophobicContact CB-CB 4.12Å; S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 PolarHBondContact O-N 2.93Å; E563-K566 WeakPolarHBondContact O-CB 3.28Å; E563-K566 PolarHBondContact O-N 2.86Å; E563-A567 WeakPolarHBondContact O-CB 3.36Å; E563-A567 PolarHBondContact O-N 3.07Å
564	Y	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-41.8	174.3	-170.1	-83.8	0	0	0	112.4	S509 W510 G515 L517 A546 P557 L558 M559 S561 E562 K566 A567 L568	S509-Y564 VanDerWaalsContact CB-OH 3.24Å; S509-Y564 WeakPolarHBondContact CB-OH 3.05Å; S509-Y564 PolarHBondContact O-OH 3.47Å; S509-Y564 PolarHBondContact OG-OH 2.9Å; W510-Y564 HydrophobicContact CE3-CE1 4Å; W510-Y564 HydrophobicContact CZ3-CD1 4.42Å; W510-Y564 HydrophobicContact CZ3-CE1 4.27Å; G515-Y564 WeakPolarHBondContact CA-OH 3.41Å; G515-Y564 PolarHBondContact N-OH 3.3Å; L517-Y564 HydrophobicContact CD1-CD2 4.29Å; L517-Y564 HydrophobicContact CD1-CE2 4.19Å; L517-Y564 HydrophobicContact CD2-CD2 4.34Å; L517-Y564 HydrophobicContact CD2-CE1 4.19Å; L517-Y564 HydrophobicContact CD2-CE2 3.82Å; L517-Y564 HydrophobicContact CG-CD2 4.43Å; L517-Y564 HydrophobicContact CG-CE2 3.87Å; A546-Y564 HydrophobicContact CB-CD1 3.99Å; A546-Y564 HydrophobicContact CB-CE1 4.17Å; P557-Y564 HydrophobicContact CB-CD2 4.34Å; L558-Y564 WeakPolarHBondContact O-CB 3.28Å; M559-Y564 HydrophobicContact CG-CE1 4.28Å; M559-Y564 HydrophobicContact CG-CE2 4.16Å; S561-Y564 PolarHBondContact O-N 3.38Å; S561-Y564 WeakPolarHBondContact OG-CB 3.32Å; S561-Y564 PolarHBondContact OG-N 2.89Å; S561-Y564 VanDerWaalsContact OG-N 3.11Å; E562-Y564 VanDerWaalsContact C-N 3.35Å; E562-Y564 PolarHBondContact O-N 2.95Å; Y564-K566 VanDerWaalsContact C-N 3.28Å; Y564-K566 PolarHBondContact O-N 3.24Å; Y564-A567 PolarHBondContact O-N 3.43Å; Y564-L568 HydrophobicContact CE1-CD1 4.1Å; Y564-L568 VanDerWaalsContact O-CB 3.32Å; Y564-L568 WeakPolarHBondContact O-CB 3.28Å; Y564-L568 PolarHBondContact O-N 3.11Å
565	Q	98.8	Very high	98.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-44.8	174.7	-163.1	-175.5	34.4	0	0	110.6	A546 A548 S561 E562 L569 K609 G610 V621	A546-Q565 PolarHBondContact O-NE2 3.21Å; A548-Q565 HydrophobicContact CB-CB 3.97Å; A548-Q565 HydrophobicContact CB-CG 4.15Å; S561-Q565 PolarHBondContact O-N 3.24Å; E562-Q565 PolarHBondContact O-N 3.11Å; Q565-L569 HydrophobicContact CG-CD1 4.35Å; Q565-L569 WeakPolarHBondContact O-CD1 3.36Å; Q565-L569 PolarHBondContact O-N 3.09Å; Q565-L569 VanDerWaalsContact O-N 3.14Å; Q565-K609 PolarHBondContact NE2-O 3.42Å; Q565-G610 PolarHBondContact NE2-O 3.03Å; Q565-V621 VanDerWaalsContact CD-CG1 3.47Å; Q565-V621 HydrophobicContact CG-CB 4.28Å; Q565-V621 HydrophobicContact CG-CG1 4.18Å; Q565-V621 HydrophobicContact CG-CG2 4.31Å
566	K	98.6	Very high	98.6	Very high	87 Å²	87	33.9 Å²	33.9	38%	0.378	18%	0.18	S	C	.	.	H	α-helix	trans	-56.7	-56.6	172.7	164.1	177.2	-173.7	-172.6	0	112.1	E562 E563 Y564 L568 L569 E570 I624	E562-K566 PolarHBondContact O-N 3.35Å; E563-K566 WeakPolarHBondContact O-CB 3.28Å; E563-K566 PolarHBondContact O-N 2.86Å; Y564-K566 VanDerWaalsContact C-N 3.28Å; Y564-K566 PolarHBondContact O-N 3.24Å; K566-L568 VanDerWaalsContact C-N 3.29Å; K566-L568 PolarHBondContact O-N 3.17Å; K566-L569 PolarHBondContact O-N 3.31Å; K566-L569 VanDerWaalsContact O-N 3.11Å; K566-E570 WeakPolarHBondContact CE-OE1 3.32Å; K566-E570 IonicContact NZ-OE1 3.59Å; K566-E570 WeakPolarHBondContact O-CG 3.42Å; K566-E570 PolarHBondContact O-N 2.99Å; K566-I624 HydrophobicContact CB-CD1 3.82Å; K566-I624 HydrophobicContact CD-CD1 3.46Å; K566-I624 VanDerWaalsContact CD-CD1 3.46Å; K566-I624 HydrophobicContact CG-CD1 3.37Å
567	A	98.7	Very high	98.7	Very high	15 Å²	15	31.4 Å²	31.4	12%	0.124	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-34	-172.8	0	0	0	0	0	112.2	L517 P557 E563 Y564 N571	L517-A567 HydrophobicContact CD1-CB 3.6Å; P557-A567 HydrophobicContact CG-CB 4.35Å; E563-A567 WeakPolarHBondContact O-CB 3.36Å; E563-A567 PolarHBondContact O-N 3.07Å; Y564-A567 PolarHBondContact O-N 3.43Å; A567-N571 PolarHBondContact O-N 2.83Å; A567-N571 PolarHBondContact O-ND2 3.07Å
568	L	98.8	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-50.8	171.2	-176.3	152.9	0	0	0	110.8	S509 W510 L517 I520 A546 Y564 K566 E570 N571 Y572	S509-L568 WeakPolarHBondContact OG-CD1 3.45Å; W510-L568 HydrophobicContact CB-CD1 4.5Å; L517-L568 HydrophobicContact CD2-CB 3.92Å; I520-L568 HydrophobicContact CD1-CB 4.36Å; I520-L568 HydrophobicContact CD1-CG 3.92Å; A546-L568 HydrophobicContact CB-CD1 3.84Å; Y564-L568 HydrophobicContact CE1-CD1 4.1Å; Y564-L568 VanDerWaalsContact O-CB 3.32Å; Y564-L568 WeakPolarHBondContact O-CB 3.28Å; Y564-L568 PolarHBondContact O-N 3.11Å; K566-L568 VanDerWaalsContact C-N 3.29Å; K566-L568 PolarHBondContact O-N 3.17Å; L568-E570 VanDerWaalsContact C-N 3.34Å; L568-E570 PolarHBondContact O-N 3.32Å; L568-N571 PolarHBondContact O-N 3.27Å; L568-Y572 HydrophobicContact CD2-CD2 3.53Å; L568-Y572 HydrophobicContact CD2-CE2 3.66Å; L568-Y572 HydrophobicContact CG-CD2 4.07Å; L568-Y572 HydrophobicContact CG-CE2 4.06Å; L568-Y572 WeakPolarHBondContact O-CD2 3.4Å; L568-Y572 PolarHBondContact O-N 3.01Å; L568-Y572 VanDerWaalsContact O-N 3.09Å
569	L	98.7	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-43.9	-178.8	-95.6	70.8	0	0	0	111.6	Y544 Q565 K566 N571 Y572 H573 I589 V621 L625	Y544-L569 HydrophobicContact CE2-CG 3.97Å; Q565-L569 HydrophobicContact CG-CD1 4.35Å; Q565-L569 WeakPolarHBondContact O-CD1 3.36Å; Q565-L569 PolarHBondContact O-N 3.09Å; Q565-L569 VanDerWaalsContact O-N 3.14Å; K566-L569 PolarHBondContact O-N 3.31Å; K566-L569 VanDerWaalsContact O-N 3.11Å; L569-N571 VanDerWaalsContact C-N 3.29Å; L569-N571 PolarHBondContact O-N 2.93Å; L569-Y572 PolarHBondContact O-N 3.2Å; L569-H573 VanDerWaalsContact O-CB 3.28Å; L569-H573 WeakPolarHBondContact O-CB 3.23Å; L569-H573 PolarHBondContact O-CD2 3.09Å; L569-H573 PolarHBondContact O-N 3.22Å; L569-H573 PolarHBondContact O-ND1 3.15Å; L569-I589 HydrophobicContact CD1-CD1 3.82Å; L569-I589 HydrophobicContact CD2-CD1 3.75Å; L569-I589 HydrophobicContact CG-CD1 3.96Å; L569-V621 HydrophobicContact CB-CG2 4.39Å; L569-V621 HydrophobicContact CD1-CG2 4.29Å; L569-V621 HydrophobicContact CD2-CG2 3.31Å; L569-V621 HydrophobicContact CG-CG2 4.16Å; L569-L625 HydrophobicContact CD2-CD1 4.42Å
570	E	98.4	Very high	98.5	Very high	91 Å²	91	28.8 Å²	28.8	43%	0.425	14%	0.14	S	C	.	.	H	α-helix	trans	-57.9	-40.3	177.6	-71.8	174.5	166.8	0	0	112.3	K566 L568 S574	K566-E570 WeakPolarHBondContact CE-OE1 3.32Å; K566-E570 IonicContact NZ-OE1 3.59Å; K566-E570 WeakPolarHBondContact O-CG 3.42Å; K566-E570 PolarHBondContact O-N 2.99Å; L568-E570 VanDerWaalsContact C-N 3.34Å; L568-E570 PolarHBondContact O-N 3.32Å; E570-S574 PolarHBondContact O-N 3.4Å
571	N	98.6	Very high	98.2	Very high	30 Å²	30	33.6 Å²	33.6	16%	0.16	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-41.6	176.2	-83.3	-76.4	0	0	0	112.9	I520 Q521 A567 L568 L569	I520-N571 HydrophobicContact CB-CB 3.92Å; I520-N571 HydrophobicContact CD1-CB 3.79Å; I520-N571 HydrophobicContact CG1-CB 4.47Å; I520-N571 HydrophobicContact CG2-CB 3.82Å; Q521-N571 HydrophobicContact CG-CB 4.31Å; Q521-N571 PolarHBondContact NE2-OD1 2.77Å; A567-N571 PolarHBondContact O-N 2.83Å; A567-N571 PolarHBondContact O-ND2 3.07Å; L568-N571 PolarHBondContact O-N 3.27Å; L569-N571 VanDerWaalsContact C-N 3.29Å; L569-N571 PolarHBondContact O-N 2.93Å
572	Y	98.8	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-49.1	173.7	-92.2	-95.7	0	0	0	111.3	S506 Y507 F508 I520 L524 Y544 L568 L569 S574 V575 F576	S506-Y572 PolarHBondContact O-OH 3.36Å; Y507-Y572 WeakPolarHBondContact CA-OH 3.4Å; Y507-Y572 PolarHBondContact N-OH 3.12Å; F508-Y572 WeakPolarHBondContact CD2-OH 3.22Å; F508-Y572 PolarHBondContact N-OH 2.98Å; I520-Y572 HydrophobicContact CD1-CD2 4.36Å; I520-Y572 HydrophobicContact CD1-CE2 4.32Å; I520-Y572 HydrophobicContact CG1-CE2 4.32Å; I520-Y572 HydrophobicContact CG2-CD2 3.43Å; I520-Y572 VanDerWaalsContact CG2-CD2 3.43Å; I520-Y572 HydrophobicContact CG2-CE2 3.57Å; I520-Y572 HydrophobicContact CG2-CG 4.05Å; L524-Y572 HydrophobicContact CD1-CD1 4.25Å; L524-Y572 HydrophobicContact CD1-CE1 3.99Å; L524-Y572 HydrophobicContact CD2-CD1 3.39Å; L524-Y572 HydrophobicContact CD2-CE1 3.86Å; L524-Y572 HydrophobicContact CD2-CG 3.94Å; L524-Y572 HydrophobicContact CG-CD1 4.44Å; Y544-Y572 AromaticContact CD2-CD1 3.85Å; Y544-Y572 HydrophobicContact CD2-CD1 3.85Å; Y544-Y572 HydrophobicContact CD2-CD2 4.35Å; Y544-Y572 HydrophobicContact CD2-CE1 4.44Å; Y544-Y572 AromaticContact CD2-CG 3.78Å; Y544-Y572 HydrophobicContact CD2-CG 3.78Å; Y544-Y572 HydrophobicContact CE2-CG 4.49Å; Y544-Y572 HydrophobicContact CG-CD1 4.02Å; Y544-Y572 HydrophobicContact CG-CE1 4.29Å; Y544-Y572 HydrophobicContact CG-CG 4.41Å; L568-Y572 HydrophobicContact CD2-CD2 3.53Å; L568-Y572 HydrophobicContact CD2-CE2 3.66Å; L568-Y572 HydrophobicContact CG-CD2 4.07Å; L568-Y572 HydrophobicContact CG-CE2 4.06Å; L568-Y572 WeakPolarHBondContact O-CD2 3.4Å; L568-Y572 PolarHBondContact O-N 3.01Å; L568-Y572 VanDerWaalsContact O-N 3.09Å; L569-Y572 PolarHBondContact O-N 3.2Å; Y572-S574 VanDerWaalsContact C-N 3.29Å; Y572-S574 PolarHBondContact O-N 3.05Å; Y572-V575 PolarHBondContact O-N 3.11Å; Y572-V575 VanDerWaalsContact O-N 3.07Å; Y572-F576 AromaticContact CD1-CE1 3.81Å; Y572-F576 HydrophobicContact CD1-CE1 3.81Å; Y572-F576 HydrophobicContact CD1-CE2 4.49Å; Y572-F576 AromaticContact CD1-CZ 3.51Å; Y572-F576 HydrophobicContact CD1-CZ 3.51Å; Y572-F576 HydrophobicContact CG-CZ 4.14Å; Y572-F576 VanDerWaalsContact O-CD1 3.29Å; Y572-F576 WeakPolarHBondContact O-CD1 3.43Å; Y572-F576 VanDerWaalsContact O-CG 3.28Å; Y572-F576 WeakPolarHBondContact O-CG 3.5Å; Y572-F576 PolarHBondContact O-N 3.13Å
573	H	98.8	Very high	98.1	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-36.5	-178.1	-68.7	171.7	0	0	0	112.9	Y544 L569 V575 F576 D577 E587 R628	Y544-H573 AromaticContact CE2-NE2 3.72Å; Y544-H573 AromaticContact CZ-NE2 3.79Å; Y544-H573 PolarHBondContact OH-NE2 2.72Å; L569-H573 VanDerWaalsContact O-CB 3.28Å; L569-H573 WeakPolarHBondContact O-CB 3.23Å; L569-H573 PolarHBondContact O-CD2 3.09Å; L569-H573 PolarHBondContact O-N 3.22Å; L569-H573 PolarHBondContact O-ND1 3.15Å; H573-V575 VanDerWaalsContact C-N 3.31Å; H573-V575 PolarHBondContact O-N 3.4Å; H573-F576 AromaticContact CD2-CD2 3.72Å; H573-F576 AromaticContact CD2-CE2 3.81Å; H573-F576 PolarHBondContact O-N 3.46Å; H573-D577 PolarHBondContact O-N 2.83Å; H573-E587 IonicContact CD2-OE2 3.67Å; H573-E587 IonicContact NE2-OE2 2.85Å; H573-R628 PolarHBondContact CD2-NE 3.19Å; H573-R628 WeakPolarHBondContact CE1-CD 3.42Å; H573-R628 VanDerWaalsContact CG-CD 3.48Å; H573-R628 VanDerWaalsContact ND1-CD 3.26Å; H573-R628 WeakPolarHBondContact ND1-CD 3.24Å
574	S	98.3	Very high	98.1	Very high	45 Å²	45	35.6 Å²	35.6	32%	0.315	17%	0.17	S	C	.	.	H	α-helix	trans	-57.8	-40.4	174.3	178.5	0	0	0	0	112.8	E570 Y572 Q578	E570-S574 PolarHBondContact O-N 3.4Å; Y572-S574 VanDerWaalsContact C-N 3.29Å; Y572-S574 PolarHBondContact O-N 3.05Å; S574-Q578 PolarHBondContact O-NE2 3.29Å; S574-Q578 VanDerWaalsContact O-NE2 3.12Å
575	V	98.6	Very high	98.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-77.4	-38.8	177	-176.8	0	0	0	0	110.9	Q521 L524 K525 F528 Y572 H573 D577 Q578 K579	Q521-V575 HydrophobicContact CB-CG2 3.96Å; Q521-V575 HydrophobicContact CG-CG2 4.06Å; L524-V575 HydrophobicContact CB-CG1 4.41Å; L524-V575 HydrophobicContact CB-CG2 4.4Å; L524-V575 HydrophobicContact CD2-CB 3.76Å; L524-V575 HydrophobicContact CD2-CG1 4.13Å; L524-V575 HydrophobicContact CD2-CG2 4.07Å; L524-V575 HydrophobicContact CG-CB 4.17Å; L524-V575 HydrophobicContact CG-CG1 3.98Å; L524-V575 HydrophobicContact CG-CG2 4.47Å; K525-V575 HydrophobicContact CB-CG1 4.38Å; F528-V575 HydrophobicContact CD2-CG1 3.99Å; F528-V575 HydrophobicContact CE2-CG1 4.2Å; Y572-V575 PolarHBondContact O-N 3.11Å; Y572-V575 VanDerWaalsContact O-N 3.07Å; H573-V575 VanDerWaalsContact C-N 3.31Å; H573-V575 PolarHBondContact O-N 3.4Å; V575-D577 VanDerWaalsContact C-N 3.28Å; V575-D577 PolarHBondContact O-N 2.89Å; V575-Q578 WeakPolarHBondContact O-CB 3.24Å; V575-Q578 PolarHBondContact O-N 3Å; V575-Q578 VanDerWaalsContact O-N 3.11Å; V575-K579 HydrophobicContact CG1-CG 4.35Å; V575-K579 PolarHBondContact O-N 3.08Å; V575-K579 VanDerWaalsContact O-N 3.07Å
576	F	98.7	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176.6	-60.2	-14.5	0	0	0	111.6	L524 F528 Q541 Y544 Y572 H573 Q578 K579 R580 M584 E587	L524-F576 HydrophobicContact CD1-CE1 4.45Å; L524-F576 HydrophobicContact CD2-CD1 4.2Å; L524-F576 HydrophobicContact CD2-CE1 3.77Å; F528-F576 AromaticContact CE2-CD1 3.86Å; F528-F576 HydrophobicContact CE2-CD1 3.86Å; F528-F576 AromaticContact CE2-CE1 3.97Å; F528-F576 HydrophobicContact CE2-CE1 3.97Å; F528-F576 HydrophobicContact CZ-CD1 4.03Å; F528-F576 AromaticContact CZ-CE1 3.88Å; F528-F576 HydrophobicContact CZ-CE1 3.88Å; Q541-F576 HydrophobicContact CB-CE1 4.02Å; Q541-F576 HydrophobicContact CB-CZ 3.95Å; Q541-F576 HydrophobicContact CG-CE1 3.98Å; Q541-F576 HydrophobicContact CG-CZ 3.68Å; Y544-F576 HydrophobicContact CD1-CE2 4.33Å; Y544-F576 HydrophobicContact CD1-CZ 4.15Å; Y544-F576 HydrophobicContact CD2-CE2 4.3Å; Y544-F576 HydrophobicContact CD2-CZ 4.22Å; Y544-F576 AromaticContact CE1-CE2 3.87Å; Y544-F576 HydrophobicContact CE1-CE2 3.87Å; Y544-F576 HydrophobicContact CE1-CZ 4.14Å; Y544-F576 AromaticContact CE2-CE2 3.82Å; Y544-F576 HydrophobicContact CE2-CE2 3.82Å; Y544-F576 HydrophobicContact CE2-CZ 4.2Å; Y544-F576 HydrophobicContact CG-CZ 4.2Å; Y544-F576 AromaticContact CZ-CE2 3.62Å; Y572-F576 AromaticContact CD1-CE1 3.81Å; Y572-F576 HydrophobicContact CD1-CE1 3.81Å; Y572-F576 HydrophobicContact CD1-CE2 4.49Å; Y572-F576 AromaticContact CD1-CZ 3.51Å; Y572-F576 HydrophobicContact CD1-CZ 3.51Å; Y572-F576 HydrophobicContact CG-CZ 4.14Å; Y572-F576 VanDerWaalsContact O-CD1 3.29Å; Y572-F576 WeakPolarHBondContact O-CD1 3.43Å; Y572-F576 VanDerWaalsContact O-CG 3.28Å; Y572-F576 WeakPolarHBondContact O-CG 3.5Å; Y572-F576 PolarHBondContact O-N 3.13Å; H573-F576 AromaticContact CD2-CD2 3.72Å; H573-F576 AromaticContact CD2-CE2 3.81Å; H573-F576 PolarHBondContact O-N 3.46Å; F576-Q578 PolarHBondContact O-N 3.05Å; F576-K579 PolarHBondContact O-N 2.9Å; F576-K579 VanDerWaalsContact O-N 3.12Å; F576-R580 VanDerWaalsContact O-CB 3.25Å; F576-R580 WeakPolarHBondContact O-CB 3.46Å; F576-R580 VanDerWaalsContact O-CG 3.32Å; F576-R580 WeakPolarHBondContact O-CG 3.42Å; F576-R580 PolarHBondContact O-N 3.44Å; F576-M584 HydrophobicContact CB-CE 4.02Å; F576-M584 HydrophobicContact CB-SD 3.82Å; F576-M584 HydrophobicContact CD1-CE 3.41Å; F576-M584 VanDerWaalsContact CD1-CE 3.41Å; F576-M584 HydrophobicContact CD1-SD 3.63Å; F576-M584 HydrophobicContact CD2-CE 4Å; F576-M584 HydrophobicContact CE1-CE 3.75Å; F576-M584 HydrophobicContact CE1-SD 4.42Å; F576-M584 HydrophobicContact CE2-CE 4.32Å; F576-M584 HydrophobicContact CG-CE 3.55Å; F576-M584 HydrophobicContact CG-SD 3.87Å; F576-M584 HydrophobicContact CZ-CE 4.21Å; F576-E587 HydrophobicContact CD2-CB 3.97Å; F576-E587 HydrophobicContact CD2-CG 4.5Å; F576-E587 HydrophobicContact CE2-CB 3.91Å
577	D	98.3	Very high	98.1	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.214	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-25.4	179.4	-74.4	-25	0	0	0	113.4	H573 V575 R580 R628 R631	H573-D577 PolarHBondContact O-N 2.83Å; V575-D577 VanDerWaalsContact C-N 3.28Å; V575-D577 PolarHBondContact O-N 2.89Å; D577-R580 IonicContact OD1-CZ 2.9Å; D577-R580 IonicContact OD1-NE 2.67Å; D577-R580 PolarHBondContact OD1-NE 3.21Å; D577-R580 IonicContact OD1-NH2 3.58Å; D577-R628 VanDerWaalsContact CG-NH1 3.32Å; D577-R628 IonicContact OD1-CZ 3.61Å; D577-R628 IonicContact OD1-NH1 2.8Å; D577-R628 PolarHBondContact OD1-NH1 2.95Å; D577-R628 IonicContact OD1-NH2 3.82Å; D577-R628 PolarHBondContact OD1-NH2 2.8Å; D577-R628 IonicContact OD2-CZ 3.07Å; D577-R628 IonicContact OD2-NH1 3.12Å; D577-R628 PolarHBondContact OD2-NH1 2.93Å; D577-R631 IonicContact OD2-NH2 2.76Å
578	Q	97.2	Very high	98.1	Very high	86 Å²	86	31 Å²	31	40%	0.402	15%	0.147	S	C	.	.	H	α-helix	trans	-75.3	-52.1	170.8	-60.9	168.2	48.4	0	0	110.5	S574 V575 F576	S574-Q578 PolarHBondContact O-NE2 3.29Å; S574-Q578 VanDerWaalsContact O-NE2 3.12Å; V575-Q578 WeakPolarHBondContact O-CB 3.24Å; V575-Q578 PolarHBondContact O-N 3Å; V575-Q578 VanDerWaalsContact O-N 3.11Å; F576-Q578 PolarHBondContact O-N 3.05Å
579	K	98.1	Very high	98.1	Very high	11 Å²	11	31 Å²	31	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-80.9	-21.5	-170.6	-58.5	-51.8	-172.2	-175.8	0	114.6	F528 E529 V575 F576 K581 E582 Y583 M584	F528-K579 HydrophobicContact CB-CG 4.22Å; F528-K579 HydrophobicContact CD2-CB 4.48Å; F528-K579 HydrophobicContact CD2-CG 3.96Å; F528-K579 HydrophobicContact CG-CG 4.3Å; E529-K579 IonicContact OE1-NZ 2.66Å; E529-K579 PolarHBondContact OE1-NZ 3.32Å; V575-K579 HydrophobicContact CG1-CG 4.35Å; V575-K579 PolarHBondContact O-N 3.08Å; V575-K579 VanDerWaalsContact O-N 3.07Å; F576-K579 PolarHBondContact O-N 2.9Å; F576-K579 VanDerWaalsContact O-N 3.12Å; K579-K581 PolarHBondContact O-N 2.67Å; K579-E582 PolarHBondContact O-N 2.81Å; K579-Y583 PolarHBondContact O-N 3.48Å; K579-M584 HydrophobicContact CB-CB 3.88Å; K579-M584 HydrophobicContact CB-SD 4.44Å; K579-M584 WeakPolarHBondContact O-CB 3.44Å; K579-M584 PolarHBondContact O-N 2.91Å; K579-M584 VanDerWaalsContact O-N 3.09Å
580	R	96.9	Very high	98.1	Very high	49 Å²	49	31.3 Å²	31.3	19%	0.185	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.2	178.4	73.8	179.7	176.5	89.2	-0.7	114.2	Y347 F576 D577 E582 M584 E635	Y347-R580 HydrophobicContact CD2-CB 4.19Å; Y347-R580 HydrophobicContact CE2-CB 3.5Å; Y347-R580 VanDerWaalsContact CE2-CB 3.5Å; F576-R580 VanDerWaalsContact O-CB 3.25Å; F576-R580 WeakPolarHBondContact O-CB 3.46Å; F576-R580 VanDerWaalsContact O-CG 3.32Å; F576-R580 WeakPolarHBondContact O-CG 3.42Å; F576-R580 PolarHBondContact O-N 3.44Å; D577-R580 IonicContact OD1-CZ 2.9Å; D577-R580 IonicContact OD1-NE 2.67Å; D577-R580 PolarHBondContact OD1-NE 3.21Å; D577-R580 IonicContact OD1-NH2 3.58Å; R580-E582 VanDerWaalsContact C-N 3.32Å; R580-M584 WeakPolarHBondContact CA-O 3.5Å; R580-E635 IonicContact CZ-OE2 2.76Å; R580-E635 IonicContact NH1-OE2 2.99Å; R580-E635 PolarHBondContact NH1-OE2 2.77Å; R580-E635 IonicContact NH2-OE1 3.8Å; R580-E635 PolarHBondContact NH2-OE1 2.99Å; R580-E635 IonicContact NH2-OE2 3.59Å; R580-E635 PolarHBondContact NH2-OE2 3.12Å
581	K	93.6	Very high	98.2	Very high	165 Å²	165	27 Å²	27	72%	0.717	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.7	174.2	-59.5	-178.7	-175	177.6	0	112.5	K579	K579-K581 PolarHBondContact O-N 2.67Å
582	E	96.7	Very high	98.2	Very high	102 Å²	102	25.7 Å²	25.7	48%	0.477	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-84.3	-175.7	-60.9	175	-151.8	0	0	110.3	K579 R580	K579-E582 PolarHBondContact O-N 2.81Å; R580-E582 VanDerWaalsContact C-N 3.32Å
583	Y	98.1	Very high	98.2	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.035	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-2.6	-170.9	53	-100.3	0	0	0	113.8	S337 F528 Y532 P538 V539 K579 V585	S337-Y583 WeakPolarHBondContact O-CA 3.21Å; F528-Y583 HydrophobicContact CB-CE2 4.08Å; F528-Y583 PolarHBondContact O-OH 2.85Å; Y532-Y583 AromaticContact CD1-CD1 3.42Å; Y532-Y583 HydrophobicContact CD1-CD1 3.42Å; Y532-Y583 VanDerWaalsContact CD1-CD1 3.42Å; Y532-Y583 HydrophobicContact CD1-CD2 4.5Å; Y532-Y583 AromaticContact CD1-CE1 3.54Å; Y532-Y583 HydrophobicContact CD1-CE1 3.54Å; Y532-Y583 AromaticContact CD1-CG 3.94Å; Y532-Y583 HydrophobicContact CD1-CG 3.94Å; Y532-Y583 AromaticContact CD2-CD1 3.74Å; Y532-Y583 HydrophobicContact CD2-CD1 3.74Å; Y532-Y583 AromaticContact CD2-CD2 3.63Å; Y532-Y583 HydrophobicContact CD2-CD2 3.63Å; Y532-Y583 HydrophobicContact CD2-CE1 4.37Å; Y532-Y583 HydrophobicContact CD2-CE2 4.28Å; Y532-Y583 AromaticContact CD2-CG 3.33Å; Y532-Y583 HydrophobicContact CD2-CG 3.33Å; Y532-Y583 AromaticContact CE1-CD1 3.57Å; Y532-Y583 HydrophobicContact CE1-CD1 3.57Å; Y532-Y583 HydrophobicContact CE1-CE1 4.08Å; Y532-Y583 HydrophobicContact CE1-CG 4.14Å; Y532-Y583 AromaticContact CE2-CD1 3.89Å; Y532-Y583 HydrophobicContact CE2-CD1 3.89Å; Y532-Y583 HydrophobicContact CE2-CD2 4.3Å; Y532-Y583 AromaticContact CE2-CG 3.57Å; Y532-Y583 HydrophobicContact CE2-CG 3.57Å; Y532-Y583 AromaticContact CG-CD1 3.5Å; Y532-Y583 HydrophobicContact CG-CD1 3.5Å; Y532-Y583 AromaticContact CG-CD2 3.74Å; Y532-Y583 HydrophobicContact CG-CD2 3.74Å; Y532-Y583 AromaticContact CG-CE1 3.7Å; Y532-Y583 HydrophobicContact CG-CE1 3.7Å; Y532-Y583 AromaticContact CG-CE2 3.93Å; Y532-Y583 HydrophobicContact CG-CE2 3.93Å; Y532-Y583 AromaticContact CG-CG 3.53Å; Y532-Y583 HydrophobicContact CG-CG 3.53Å; Y532-Y583 AromaticContact CG-CZ 3.91Å; Y532-Y583 AromaticContact CZ-CD1 3.79Å; Y532-Y583 AromaticContact CZ-CG 3.96Å; P538-Y583 WeakPolarHBondContact CA-O 3.24Å; V539-Y583 HydrophobicContact CG2-CD2 4.11Å; V539-Y583 HydrophobicContact CG2-CE2 4.49Å; V539-Y583 PolarHBondContact N-O 3.21Å; K579-Y583 PolarHBondContact O-N 3.48Å; Y583-V585 PolarHBondContact O-N 2.95Å
584	M	98.6	Very high	98.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116	171	-176	-176.2	177.9	0	0	108.1	Y347 F528 V539 Q541 F576 K579 R580 G586 E587	Y347-M584 HydrophobicContact CE2-CG 4.38Å; Y347-M584 VanDerWaalsContact CE2-O 3.3Å; Y347-M584 WeakPolarHBondContact CE2-O 3.3Å; F528-M584 HydrophobicContact CE1-SD 4.4Å; F528-M584 HydrophobicContact CE2-SD 4.22Å; F528-M584 HydrophobicContact CZ-CE 4.11Å; F528-M584 HydrophobicContact CZ-SD 3.86Å; V539-M584 CarbonylContact O-C 3.49Å; V539-M584 VanDerWaalsContact O-CA 3.28Å; V539-M584 WeakPolarHBondContact O-CA 3.47Å; Q541-M584 HydrophobicContact CB-CE 3.72Å; F576-M584 HydrophobicContact CB-CE 4.02Å; F576-M584 HydrophobicContact CB-SD 3.82Å; F576-M584 HydrophobicContact CD1-CE 3.41Å; F576-M584 VanDerWaalsContact CD1-CE 3.41Å; F576-M584 HydrophobicContact CD1-SD 3.63Å; F576-M584 HydrophobicContact CD2-CE 4Å; F576-M584 HydrophobicContact CE1-CE 3.75Å; F576-M584 HydrophobicContact CE1-SD 4.42Å; F576-M584 HydrophobicContact CE2-CE 4.32Å; F576-M584 HydrophobicContact CG-CE 3.55Å; F576-M584 HydrophobicContact CG-SD 3.87Å; F576-M584 HydrophobicContact CZ-CE 4.21Å; K579-M584 HydrophobicContact CB-CB 3.88Å; K579-M584 HydrophobicContact CB-SD 4.44Å; K579-M584 WeakPolarHBondContact O-CB 3.44Å; K579-M584 PolarHBondContact O-N 2.91Å; K579-M584 VanDerWaalsContact O-N 3.09Å; R580-M584 WeakPolarHBondContact CA-O 3.5Å; M584-G586 WeakPolarHBondContact CE-O 3.15Å; M584-E587 HydrophobicContact CE-CB 3.87Å
585	V	98.8	Very high	98.2	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	0.5	-175.8	-58.6	0	0	0	0	112.5	S337 F339 Y347 F348 V501 P538 V539 I540 Y583	S337-V585 WeakPolarHBondContact O-CG1 3.09Å; F339-V585 HydrophobicContact CB-CB 4.08Å; F339-V585 HydrophobicContact CB-CG1 4.37Å; F339-V585 HydrophobicContact CB-CG2 4.16Å; Y347-V585 CarbonylContact C-O 3.6Å; Y347-V585 VanDerWaalsContact CA-O 3.27Å; Y347-V585 WeakPolarHBondContact CA-O 3.15Å; Y347-V585 WeakPolarHBondContact CD2-O 3.5Å; F348-V585 WeakPolarHBondContact CD2-O 3.43Å; F348-V585 PolarHBondContact N-O 2.97Å; V501-V585 HydrophobicContact CG1-CG2 4.31Å; P538-V585 HydrophobicContact CB-CB 4.34Å; P538-V585 HydrophobicContact CB-CG1 3.55Å; P538-V585 HydrophobicContact CB-CG2 3.82Å; V539-V585 PolarHBondContact O-N 2.63Å; I540-V585 HydrophobicContact CD1-CG2 4.19Å; I540-V585 HydrophobicContact CG1-CG2 3.6Å; Y583-V585 PolarHBondContact O-N 2.95Å
586	G	98.8	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	153.1	177.6	0	0	0	0	0	116.4	F348 I540 Q541 M584	F348-G586 CarbonylContact O-C 3.52Å; F348-G586 WeakPolarHBondContact O-CA 3.2Å; I540-G586 WeakPolarHBondContact CA-O 3.26Å; Q541-G586 PolarHBondContact N-O 3.23Å; M584-G586 WeakPolarHBondContact CE-O 3.15Å
587	E	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.9	170.4	57.9	-176.6	112.1	0	0	110.3	Y347 F348 G350 Y544 H573 F576 M584 R628 Y629	Y347-E587 HydrophobicContact CE1-CG 3.84Å; Y347-E587 PolarHBondContact OH-OE1 2.82Å; Y347-E587 VanDerWaalsContact OH-OE1 3.06Å; F348-E587 PolarHBondContact O-N 2.85Å; G350-E587 PolarHBondContact N-O 3.5Å; Y544-E587 HydrophobicContact CE1-CB 4.33Å; Y544-E587 PolarHBondContact OH-OE2 2.67Å; H573-E587 IonicContact CD2-OE2 3.67Å; H573-E587 IonicContact NE2-OE2 2.85Å; F576-E587 HydrophobicContact CD2-CB 3.97Å; F576-E587 HydrophobicContact CD2-CG 4.5Å; F576-E587 HydrophobicContact CE2-CB 3.91Å; M584-E587 HydrophobicContact CE-CB 3.87Å; E587-R628 IonicContact OE1-CZ 3.71Å; E587-R628 IonicContact OE1-NE 2.92Å; E587-R628 PolarHBondContact OE1-NE 3Å; E587-R628 VanDerWaalsContact OE1-NE 3.08Å; E587-R628 IonicContact OE1-NH2 2.78Å; E587-R628 PolarHBondContact OE1-NH2 3.33Å; E587-R628 IonicContact OE2-CZ 3.71Å; E587-R628 IonicContact OE2-NE 3.91Å; E587-R628 PolarHBondContact OE2-NE 2.91Å; E587-R628 IonicContact OE2-NH2 3.63Å; E587-Y629 HydrophobicContact CG-CE1 4.2Å
588	L	98.9	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108.3	178.4	-58.8	178.5	0	0	0	109.5	F348 G350 N352 R385 I407 I540 Q541 S542 Y544	F348-L588 HydrophobicContact CB-CD2 4.32Å; G350-L588 WeakPolarHBondContact O-CA 3.36Å; N352-L588 PolarHBondContact ND2-O 2.89Å; R385-L588 HydrophobicContact CB-CD1 4.14Å; I407-L588 HydrophobicContact CD1-CD1 3.89Å; I540-L588 HydrophobicContact CG2-CD1 4.28Å; I540-L588 HydrophobicContact CG2-CG 4.32Å; Q541-L588 PolarHBondContact O-N 2.67Å; S542-L588 CarbonylContact C-O 3.6Å; S542-L588 WeakPolarHBondContact O-CB 3.47Å; Y544-L588 WeakPolarHBondContact CD1-O 3.28Å
589	I	98.9	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.1	179.6	-175.6	69.4	0	0	0	110.3	G350 V351 N352 Y544 L569 I611 L625	G350-I589 PolarHBondContact O-N 3.04Å; G350-I589 VanDerWaalsContact O-N 3.17Å; V351-I589 HydrophobicContact CB-CG2 4.02Å; V351-I589 HydrophobicContact CG1-CG2 3.63Å; N352-I589 PolarHBondContact N-O 2.87Å; N352-I589 PolarHBondContact ND2-O 3.01Å; Y544-I589 HydrophobicContact CD1-CD1 4.48Å; Y544-I589 HydrophobicContact CD2-CD1 3.97Å; Y544-I589 HydrophobicContact CE1-CB 4.16Å; Y544-I589 HydrophobicContact CE1-CD1 4.19Å; Y544-I589 HydrophobicContact CE2-CD1 3.64Å; Y544-I589 HydrophobicContact CG-CD1 4.37Å; Y544-I589 VanDerWaalsContact O-CD1 3.25Å; Y544-I589 WeakPolarHBondContact O-CD1 3.41Å; L569-I589 HydrophobicContact CD1-CD1 3.82Å; L569-I589 HydrophobicContact CD2-CD1 3.75Å; L569-I589 HydrophobicContact CG-CD1 3.96Å; I589-I611 HydrophobicContact CG1-CG2 3.77Å; I589-I611 HydrophobicContact CG2-CD1 4.34Å; I589-I611 HydrophobicContact CG2-CG2 4.41Å; I589-L625 HydrophobicContact CB-CD2 4.03Å; I589-L625 HydrophobicContact CG1-CD2 4.4Å; I589-L625 HydrophobicContact CG2-CD2 3.5Å
590	W	98.9	Very high	98.1	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.019	15%	0.15	C	C	.	.	S	Bend	trans	-99	112.1	167	-173	-86.2	0	0	0	109.2	N352 H354 H388 Y507 E543 Y544 F595 N607 K609	N352-W590 HydrophobicContact CB-CD2 4.37Å; N352-W590 HydrophobicContact CB-CE3 3.35Å; N352-W590 HydrophobicContact CB-CZ3 3.65Å; H354-W590 AromaticContact CD2-CH2 3.86Å; H354-W590 AromaticContact NE2-CH2 3.31Å; H354-W590 VanDerWaalsContact NE2-CH2 3.31Å; H354-W590 WeakPolarHBondContact NE2-CH2 3.3Å; H354-W590 AromaticContact NE2-CZ2 3.74Å; H388-W590 AromaticContact CE1-CH2 3.84Å; H388-W590 AromaticContact CE1-CZ3 3.85Å; H388-W590 AromaticContact NE2-CH2 3.24Å; H388-W590 WeakPolarHBondContact NE2-CH2 3.41Å; H388-W590 AromaticContact NE2-CZ3 3.74Å; Y507-W590 HydrophobicContact CE1-CB 4.4Å; Y507-W590 VanDerWaalsContact OH-CB 3.31Å; Y507-W590 WeakPolarHBondContact OH-CB 3.48Å; E543-W590 HydrophobicContact CB-CB 4.03Å; E543-W590 VanDerWaalsContact CD-CE3 3.44Å; E543-W590 HydrophobicContact CG-CB 4.24Å; E543-W590 HydrophobicContact CG-CD2 4.25Å; E543-W590 HydrophobicContact CG-CE3 3.66Å; E543-W590 HydrophobicContact CG-CZ3 4.39Å; Y544-W590 PolarHBondContact O-N 3.26Å; W590-F595 AromaticContact CE2-CE1 3.98Å; W590-F595 AromaticContact CZ2-CE1 3.63Å; W590-F595 HydrophobicContact CZ2-CE1 3.63Å; W590-F595 AromaticContact CZ2-CZ 3.56Å; W590-F595 HydrophobicContact CZ2-CZ 3.56Å; W590-F595 AromaticContact NE1-CE1 3.92Å; W590-N607 PolarHBondContact NE1-ND2 3.45Å; W590-K609 VanDerWaalsContact CD1-CD 3.45Å; W590-K609 WeakPolarHBondContact O-CB 3.4Å; W590-K609 VanDerWaalsContact O-O 3.08Å
591	N	98.8	Very high	98.2	Very high	2 Å²	2	36 Å²	36	1%	0.011	19%	0.186	C	C	.	.			cis	-130.9	172.4	-0.1	-167.7	-83.5	0	0	0	109.5	N352 K353 A593 F595 K609 G610 I611	N352-N591 WeakPolarHBondContact CB-ND2 3.47Å; N352-N591 VanDerWaalsContact O-CG 3.32Å; N352-N591 PolarHBondContact O-ND2 3.17Å; N352-N591 PolarHBondContact O-OD1 3.4Å; K353-N591 PolarHBondContact O-ND2 3.5Å; N591-A593 PolarHBondContact OD1-N 2.66Å; N591-A593 PolarHBondContact OD1-O 3.47Å; N591-F595 HydrophobicContact CB-CE1 4.35Å; N591-K609 PolarHBondContact N-O 3.24Å; N591-G610 CarbonylContact O-C 3.55Å; N591-G610 WeakPolarHBondContact O-CA 3.2Å; N591-I611 PolarHBondContact O-N 3.1Å
592	F	98.9	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.183	C	C	.	.	S	Bend	trans	-54.6	-54.7	169.7	176	-97.7	0	0	0	111	V351 N352 K353 D372 L375 L376 I611 F612 R616	V351-F592 HydrophobicContact CB-CB 4.12Å; V351-F592 HydrophobicContact CG1-CD2 4.44Å; V351-F592 HydrophobicContact CG2-CB 3.95Å; V351-F592 HydrophobicContact CG2-CD2 4.01Å; V351-F592 HydrophobicContact CG2-CG 4.4Å; N352-F592 WeakPolarHBondContact O-CB 3.39Å; N352-F592 PolarHBondContact O-N 3.03Å; K353-F592 HydrophobicContact CG-CB 3.73Å; K353-F592 HydrophobicContact CG-CG 4.1Å; K353-F592 VanDerWaalsContact NZ-CE1 3.26Å; D372-F592 HydrophobicContact CB-CE1 4.16Å; D372-F592 HydrophobicContact CB-CZ 4.04Å; D372-F592 VanDerWaalsContact OD1-CE1 3.26Å; D372-F592 WeakPolarHBondContact OD1-CE1 3.19Å; D372-F592 WeakPolarHBondContact OD2-CE1 3.24Å; L375-F592 HydrophobicContact CB-CE2 3.95Å; L375-F592 HydrophobicContact CB-CZ 3.82Å; L375-F592 HydrophobicContact CD1-CZ 3.88Å; L376-F592 HydrophobicContact CD2-CD2 4.09Å; L376-F592 HydrophobicContact CD2-CE2 4.1Å; L376-F592 HydrophobicContact CG-CE2 4.28Å; F592-I611 VanDerWaalsContact O-CG1 3.24Å; F592-I611 WeakPolarHBondContact O-CG1 3.14Å; F592-I611 PolarHBondContact O-N 3.16Å; F592-F612 HydrophobicContact CD1-CD2 4.46Å; F592-F612 AromaticContact CD2-CD2 3.88Å; F592-F612 HydrophobicContact CD2-CD2 3.88Å; F592-F612 AromaticContact CD2-CE2 3.95Å; F592-F612 HydrophobicContact CD2-CE2 3.95Å; F592-F612 HydrophobicContact CE1-CD2 4.28Å; F592-F612 AromaticContact CE2-CD2 3.7Å; F592-F612 HydrophobicContact CE2-CD2 3.7Å; F592-F612 AromaticContact CE2-CE2 3.6Å; F592-F612 HydrophobicContact CE2-CE2 3.6Å; F592-F612 HydrophobicContact CG-CD2 4.26Å; F592-F612 AromaticContact CZ-CD2 3.91Å; F592-F612 HydrophobicContact CZ-CD2 3.91Å; F592-F612 HydrophobicContact CZ-CE2 4.13Å; F592-F612 WeakPolarHBondContact O-CB 3.45Å; F592-F612 WeakPolarHBondContact O-CD2 3.28Å; F592-F612 PolarHBondContact O-N 3.1Å; F592-R616 HydrophobicContact CE1-CG 4.29Å
593	A	98.9	Very high	98.3	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-134.6	157.9	-179.1	0	0	0	0	0	111.5	N591 F612	N591-A593 PolarHBondContact OD1-N 2.66Å; N591-A593 PolarHBondContact OD1-O 3.47Å; A593-F612 CarbonylContact C-O 3.51Å; A593-F612 VanDerWaalsContact CA-O 3.28Å; A593-F612 WeakPolarHBondContact CA-O 3.19Å; A593-F612 HydrophobicContact CB-CB 4.26Å
594	D	98.9	Very high	98.3	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	19%	0.185	C	C	.	.			trans	-59.6	145.1	166.9	-60	-25.8	0	0	0	109.9	N607 K608 G610 F612 R614 K619	D594-N607 WeakPolarHBondContact CA-O 3.42Å; D594-N607 WeakPolarHBondContact CB-O 3.3Å; D594-K608 HydrophobicContact CB-CD 4.24Å; D594-K608 WeakPolarHBondContact OD1-CA 3.41Å; D594-G610 VanDerWaalsContact OD1-CA 3.27Å; D594-G610 WeakPolarHBondContact OD1-CA 3.44Å; D594-G610 PolarHBondContact OD1-N 3.35Å; D594-F612 PolarHBondContact N-O 3.15Å; D594-R614 HydrophobicContact CB-CB 4.21Å; D594-R614 WeakPolarHBondContact O-CA 3.08Å; D594-R614 WeakPolarHBondContact O-CB 3.3Å; D594-R614 WeakPolarHBondContact O-CG 3.48Å; D594-K619 VanDerWaalsContact CG-NZ 3.32Å; D594-K619 IonicContact OD1-NZ 3.64Å; D594-K619 PolarHBondContact OD1-NZ 2.77Å; D594-K619 WeakPolarHBondContact OD2-CE 2.93Å; D594-K619 IonicContact OD2-NZ 2.83Å; D594-K619 PolarHBondContact OD2-NZ 3.12Å; D594-K619 VanDerWaalsContact OD2-NZ 3.13Å
595	F	98.9	Very high	98.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-149.6	165.4	-175.4	69	-90.5	0	0	0	111.7	D213 F214 H354 D356 W590 N591 T597 G606 N607	D213-F595 WeakPolarHBondContact O-CE2 3.08Å; D213-F595 WeakPolarHBondContact O-CZ 3.2Å; F214-F595 HydrophobicContact CB-CD2 4.26Å; F214-F595 HydrophobicContact CB-CE2 3.86Å; H354-F595 HydrophobicContact CB-CB 4.43Å; H354-F595 HydrophobicContact CB-CG 4.4Å; H354-F595 AromaticContact CD2-CD1 3.77Å; H354-F595 AromaticContact CD2-CD2 3.85Å; H354-F595 AromaticContact CD2-CE1 3.72Å; H354-F595 AromaticContact CD2-CE2 3.8Å; H354-F595 AromaticContact CD2-CG 3.85Å; H354-F595 AromaticContact CD2-CZ 3.76Å; H354-F595 AromaticContact NE2-CE2 3.86Å; H354-F595 AromaticContact NE2-CZ 3.83Å; D356-F595 HydrophobicContact CB-CB 3.75Å; D356-F595 VanDerWaalsContact OD1-CA 3.29Å; D356-F595 WeakPolarHBondContact OD1-CA 3.3Å; D356-F595 WeakPolarHBondContact OD1-CB 3.49Å; W590-F595 AromaticContact CE2-CE1 3.98Å; W590-F595 AromaticContact CZ2-CE1 3.63Å; W590-F595 HydrophobicContact CZ2-CE1 3.63Å; W590-F595 AromaticContact CZ2-CZ 3.56Å; W590-F595 HydrophobicContact CZ2-CZ 3.56Å; W590-F595 AromaticContact NE1-CE1 3.92Å; N591-F595 HydrophobicContact CB-CE1 4.35Å; F595-T597 HydrophobicContact CE2-CG2 3.95Å; F595-G606 CarbonylContact O-C 3.54Å; F595-G606 VanDerWaalsContact O-CA 3.32Å; F595-G606 WeakPolarHBondContact O-CA 3.44Å; F595-N607 HydrophobicContact CD1-CB 4.09Å; F595-N607 HydrophobicContact CD2-CB 4.4Å; F595-N607 HydrophobicContact CE1-CB 3.52Å; F595-N607 VanDerWaalsContact CE1-CG 3.48Å; F595-N607 HydrophobicContact CE2-CB 3.87Å; F595-N607 HydrophobicContact CG-CB 4.48Å; F595-N607 HydrophobicContact CZ-CB 3.37Å; F595-N607 PolarHBondContact N-O 2.92Å; F595-N607 VanDerWaalsContact N-O 3.14Å; F595-N607 PolarHBondContact O-N 3.14Å
596	M	98.9	Very high	98.3	Very high	19 Å²	19	40.4 Å²	40.4	9%	0.094	22%	0.217	C	C	.	.			trans	-83.6	145.8	-172.9	-167.6	58.8	60.9	0	0	113.7	F214 F215 Y217 D356 I605	F214-M596 WeakPolarHBondContact CA-O 3.29Å; F215-M596 HydrophobicContact CB-CB 4.16Å; F215-M596 HydrophobicContact CB-CG 3.89Å; F215-M596 HydrophobicContact CG-CG 4.27Å; F215-M596 PolarHBondContact N-O 2.92Å; Y217-M596 HydrophobicContact CE2-CB 3.95Å; Y217-M596 HydrophobicContact CE2-CG 4.42Å; D356-M596 PolarHBondContact OD2-N 3.04Å; D356-M596 VanDerWaalsContact OD2-N 3.15Å; M596-I605 HydrophobicContact CE-CG2 3.82Å; M596-I605 HydrophobicContact SD-CG2 4.41Å
597	T	98.8	Very high	98.3	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.025	22%	0.217	C	C	.	.			trans	-130.5	173.5	175.7	69.5	0	0	0	0	110.8	D213 F595 R603 G606 N607	D213-T597 WeakPolarHBondContact O-CG2 3.5Å; D213-T597 WeakPolarHBondContact OD1-CG2 3.35Å; F595-T597 HydrophobicContact CE2-CG2 3.95Å; T597-R603 WeakPolarHBondContact OG1-CB 3.27Å; T597-R603 WeakPolarHBondContact OG1-CG 3.31Å; T597-G606 WeakPolarHBondContact OG1-CA 3.25Å; T597-N607 HydrophobicContact CG2-CB 3.78Å
598	N	96.9	Very high	98.3	Very high	53 Å²	53	42 Å²	42	28%	0.283	22%	0.223	S	C	.	.			trans	-60.9	153	162.1	-79.3	7.7	0	0	0	111	I210 F215 T600	I210-N598 WeakPolarHBondContact CD1-ND2 3.4Å; I210-N598 WeakPolarHBondContact CG1-ND2 3.49Å; F215-N598 VanDerWaalsContact CD2-OD1 3.25Å; F215-N598 WeakPolarHBondContact CD2-OD1 3.41Å; N598-T600 PolarHBondContact O-N 3.02Å
599	Q	97.3	Very high	98.3	Very high	166 Å²	166	42 Å²	42	78%	0.776	22%	0.223	S	C	*	.			trans	-71.1	122	179.4	-68.8	-178.1	72.9	0	0	110.2
600	T	96.6	Very high	98.3	Very high	60 Å²	60	41.9 Å²	41.9	37%	0.368	22%	0.223	S	C	.	.			trans	-146	159.4	169.4	73.8	0	0	0	0	108.8	N598 M602 R603	N598-T600 PolarHBondContact O-N 3.02Å; T600-M602 PolarHBondContact O-N 3.02Å; T600-M602 VanDerWaalsContact O-N 3.08Å; T600-M602 PolarHBondContact OG1-N 3.49Å; T600-R603 PolarHBondContact O-N 3.05Å; T600-R603 VanDerWaalsContact O-N 3.08Å; T600-R603 WeakPolarHBondContact OG1-CG 3.29Å
601	P	97.8	Very high	98.3	Very high	142 Å²	142	41.7 Å²	41.7	92%	0.922	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.3	174.1	-25.4	35.6	0	0	0	114.1
602	M	96.3	Very high	98.3	Very high	135 Å²	135	41.6 Å²	41.6	67%	0.665	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	3.3	-179.7	-60.5	-175.4	-66.5	0	0	113.5	T600	T600-M602 PolarHBondContact O-N 3.02Å; T600-M602 VanDerWaalsContact O-N 3.08Å; T600-M602 PolarHBondContact OG1-N 3.49Å
603	R	98.1	Very high	98.3	Very high	36 Å²	36	42.4 Å²	42.4	14%	0.136	23%	0.227	C	C	.	.			trans	-129	106.5	-175.8	-67.7	-66.6	179.6	-85.9	2.3	110.6	D213 Y511 T597 T600 I605 G606	D213-R603 IonicContact OD1-CZ 3.68Å; D213-R603 IonicContact OD1-NE 2.66Å; D213-R603 PolarHBondContact OD1-NE 3.02Å; D213-R603 IonicContact OD1-NH2 3.24Å; D213-R603 PolarHBondContact OD1-NH2 3.09Å; D213-R603 VanDerWaalsContact OD1-NH2 3.12Å; D213-R603 IonicContact OD2-CZ 3.53Å; D213-R603 IonicContact OD2-NE 3.91Å; D213-R603 PolarHBondContact OD2-NE 3.41Å; D213-R603 IonicContact OD2-NH2 3.6Å; D213-R603 PolarHBondContact OD2-NH2 3.43Å; Y511-R603 PolarHBondContact OH-NH2 3.34Å; T597-R603 WeakPolarHBondContact OG1-CB 3.27Å; T597-R603 WeakPolarHBondContact OG1-CG 3.31Å; T600-R603 PolarHBondContact O-N 3.05Å; T600-R603 VanDerWaalsContact O-N 3.08Å; T600-R603 WeakPolarHBondContact OG1-CG 3.29Å; R603-I605 PolarHBondContact O-N 3.42Å; R603-I605 VanDerWaalsContact O-N 3.08Å; R603-G606 CarbonylContact C-O 3.5Å
604	V	98.1	Very high	98.3	Very high	70 Å²	70	43.3 Å²	43.3	42%	0.424	23%	0.229	S	C	.	.	S	Bend	trans	-82.2	86.8	179.5	-173.8	0	0	0	0	108.6	I549 G606 K608	I549-V604 HydrophobicContact CD1-CB 3.96Å; I549-V604 HydrophobicContact CD1-CG1 3.96Å; I549-V604 HydrophobicContact CD1-CG2 4.29Å; V604-G606 PolarHBondContact N-O 3.32Å; V604-G606 PolarHBondContact O-N 3.3Å; V604-K608 HydrophobicContact CB-CG 4.5Å; V604-K608 WeakPolarHBondContact O-CE 3.4Å; V604-K608 PolarHBondContact O-NZ 3.12Å
605	I	97.6	Very high	98.3	Very high	134 Å²	134	47.6 Å²	47.6	69%	0.687	25%	0.249	S	C	*	.	S	Bend	trans	54	54.8	-176.1	-51.1	176.3	0	0	0	110.4	M596 R603 K608	M596-I605 HydrophobicContact CE-CG2 3.82Å; M596-I605 HydrophobicContact SD-CG2 4.41Å; R603-I605 PolarHBondContact O-N 3.42Å; R603-I605 VanDerWaalsContact O-N 3.08Å; I605-K608 PolarHBondContact O-NZ 3.13Å
606	G	98.5	Very high	98.3	Very high	3 Å²	3	48 Å²	48	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	96.4	-167.2	-173	0	0	0	0	0	113.9	F595 T597 R603 V604	F595-G606 CarbonylContact O-C 3.54Å; F595-G606 VanDerWaalsContact O-CA 3.32Å; F595-G606 WeakPolarHBondContact O-CA 3.44Å; T597-G606 WeakPolarHBondContact OG1-CA 3.25Å; R603-G606 CarbonylContact C-O 3.5Å; V604-G606 PolarHBondContact N-O 3.32Å; V604-G606 PolarHBondContact O-N 3.3Å
607	N	98.8	Very high	98.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-88.2	134	176.5	-176.1	-54.7	0	0	0	109	D213 E547 W590 D594 F595 T597 K609	D213-N607 PolarHBondContact OD2-ND2 2.97Å; E547-N607 PolarHBondContact OE1-ND2 3.13Å; E547-N607 PolarHBondContact OE1-OD1 2.84Å; W590-N607 PolarHBondContact NE1-ND2 3.45Å; D594-N607 WeakPolarHBondContact CA-O 3.42Å; D594-N607 WeakPolarHBondContact CB-O 3.3Å; F595-N607 HydrophobicContact CD1-CB 4.09Å; F595-N607 HydrophobicContact CD2-CB 4.4Å; F595-N607 HydrophobicContact CE1-CB 3.52Å; F595-N607 VanDerWaalsContact CE1-CG 3.48Å; F595-N607 HydrophobicContact CE2-CB 3.87Å; F595-N607 HydrophobicContact CG-CB 4.48Å; F595-N607 HydrophobicContact CZ-CB 3.37Å; F595-N607 PolarHBondContact N-O 2.92Å; F595-N607 VanDerWaalsContact N-O 3.14Å; F595-N607 PolarHBondContact O-N 3.14Å; T597-N607 HydrophobicContact CG2-CB 3.78Å; N607-K609 VanDerWaalsContact OD1-CB 3.28Å; N607-K609 WeakPolarHBondContact OD1-CB 3.38Å; N607-K609 VanDerWaalsContact OD1-CG 3.31Å; N607-K609 WeakPolarHBondContact OD1-CG 3.37Å; N607-K609 PolarHBondContact OD1-N 3.27Å
608	K	98.9	Very high	98.3	Very high	32 Å²	32	55.2 Å²	55.2	14%	0.139	29%	0.288	C	S	.	.			trans	-117.3	16.6	-174.3	-60.8	-76	170	-59.6	0	112.4	E547 A548 I549 D594 V604 I605 G610 K619	E547-K608 HydrophobicContact CB-CB 4.3Å; E547-K608 VanDerWaalsContact OE2-CA 3.26Å; E547-K608 WeakPolarHBondContact OE2-CA 3.47Å; E547-K608 WeakPolarHBondContact OE2-CB 3.39Å; E547-K608 PolarHBondContact OE2-N 2.86Å; A548-K608 PolarHBondContact N-O 3.21Å; I549-K608 HydrophobicContact CD1-CB 3.99Å; I549-K608 HydrophobicContact CD1-CD 4.1Å; I549-K608 HydrophobicContact CD1-CG 3.62Å; D594-K608 HydrophobicContact CB-CD 4.24Å; D594-K608 WeakPolarHBondContact OD1-CA 3.41Å; V604-K608 HydrophobicContact CB-CG 4.5Å; V604-K608 WeakPolarHBondContact O-CE 3.4Å; V604-K608 PolarHBondContact O-NZ 3.12Å; I605-K608 PolarHBondContact O-NZ 3.13Å; K608-G610 PolarHBondContact O-N 2.92Å; K608-K619 PolarHBondContact O-NZ 3.14Å
609	K	98.8	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.			trans	-73.6	-5.3	175.1	-56.9	-169.7	177.7	69.2	0	113.1	Y507 Y511 A546 E547 Q565 W590 N591 N607	Y507-K609 HydrophobicContact CE1-CD 3.83Å; Y511-K609 WeakPolarHBondContact OH-CE 3.33Å; Y511-K609 PolarHBondContact OH-NZ 3.07Å; A546-K609 WeakPolarHBondContact O-CA 3.25Å; E547-K609 HydrophobicContact CB-CG 4.36Å; E547-K609 HydrophobicContact CG-CG 3.8Å; E547-K609 WeakPolarHBondContact OE1-CG 3.38Å; E547-K609 IonicContact OE1-NZ 3.38Å; E547-K609 PolarHBondContact OE1-NZ 3.01Å; Q565-K609 PolarHBondContact NE2-O 3.42Å; W590-K609 VanDerWaalsContact CD1-CD 3.45Å; W590-K609 WeakPolarHBondContact O-CB 3.4Å; W590-K609 VanDerWaalsContact O-O 3.08Å; N591-K609 PolarHBondContact N-O 3.24Å; N607-K609 VanDerWaalsContact OD1-CB 3.28Å; N607-K609 WeakPolarHBondContact OD1-CB 3.38Å; N607-K609 VanDerWaalsContact OD1-CG 3.31Å; N607-K609 WeakPolarHBondContact OD1-CG 3.37Å; N607-K609 PolarHBondContact OD1-N 3.27Å
610	G	98.8	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.			trans	-54.4	138.7	179.1	0	0	0	0	0	112.3	Q565 N591 D594 K608 F612 K619	Q565-G610 PolarHBondContact NE2-O 3.03Å; N591-G610 CarbonylContact O-C 3.55Å; N591-G610 WeakPolarHBondContact O-CA 3.2Å; D594-G610 VanDerWaalsContact OD1-CA 3.27Å; D594-G610 WeakPolarHBondContact OD1-CA 3.44Å; D594-G610 PolarHBondContact OD1-N 3.35Å; K608-G610 PolarHBondContact O-N 2.92Å; G610-F612 VanDerWaalsContact C-N 3.31Å; G610-K619 WeakPolarHBondContact O-CD 3.28Å; G610-K619 VanDerWaalsContact O-CE 3.27Å; G610-K619 WeakPolarHBondContact O-CE 3.31Å; G610-K619 PolarHBondContact O-NZ 3.38Å
611	I	98.9	Very high	98.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-76.6	-25.9	166.6	65	174.3	0	0	0	111.2	V351 L379 I589 N591 F592 K619 V621 A622 L625	V351-I611 HydrophobicContact CG1-CD1 4.27Å; L379-I611 HydrophobicContact CD1-CD1 4.35Å; L379-I611 HydrophobicContact CD2-CD1 3.7Å; I589-I611 HydrophobicContact CG1-CG2 3.77Å; I589-I611 HydrophobicContact CG2-CD1 4.34Å; I589-I611 HydrophobicContact CG2-CG2 4.41Å; N591-I611 PolarHBondContact O-N 3.1Å; F592-I611 VanDerWaalsContact O-CG1 3.24Å; F592-I611 WeakPolarHBondContact O-CG1 3.14Å; F592-I611 PolarHBondContact O-N 3.16Å; I611-K619 WeakPolarHBondContact O-CB 3.31Å; I611-K619 PolarHBondContact O-N 2.85Å; I611-V621 HydrophobicContact CB-CG1 3.78Å; I611-V621 HydrophobicContact CG2-CG1 3.62Å; I611-A622 HydrophobicContact CB-CB 4.34Å; I611-L625 HydrophobicContact CD1-CD2 3.77Å
612	F	98.9	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-104.3	152.1	165.6	-60.4	-76.4	0	0	0	110	L375 W378 F592 A593 D594 G610 H617 P618 A622	L375-F612 HydrophobicContact CB-CE2 4.23Å; L375-F612 HydrophobicContact CB-CZ 4.06Å; L375-F612 HydrophobicContact CD1-CD1 4Å; L375-F612 HydrophobicContact CD1-CD2 4.34Å; L375-F612 HydrophobicContact CD1-CE1 3.98Å; L375-F612 HydrophobicContact CD1-CE2 4.34Å; L375-F612 HydrophobicContact CD1-CG 4.23Å; L375-F612 HydrophobicContact CD1-CZ 4.17Å; L375-F612 HydrophobicContact CD2-CD1 4.45Å; L375-F612 HydrophobicContact CD2-CE1 3.71Å; L375-F612 HydrophobicContact CD2-CZ 3.92Å; L375-F612 HydrophobicContact CG-CE1 4.31Å; L375-F612 HydrophobicContact CG-CZ 4.28Å; W378-F612 HydrophobicContact CE3-CE1 4.37Å; W378-F612 AromaticContact CE3-CZ 3.95Å; W378-F612 HydrophobicContact CE3-CZ 3.95Å; W378-F612 AromaticContact CZ3-CE1 3.95Å; W378-F612 HydrophobicContact CZ3-CE1 3.95Å; W378-F612 AromaticContact CZ3-CZ 3.7Å; W378-F612 HydrophobicContact CZ3-CZ 3.7Å; F592-F612 HydrophobicContact CD1-CD2 4.46Å; F592-F612 AromaticContact CD2-CD2 3.88Å; F592-F612 HydrophobicContact CD2-CD2 3.88Å; F592-F612 AromaticContact CD2-CE2 3.95Å; F592-F612 HydrophobicContact CD2-CE2 3.95Å; F592-F612 HydrophobicContact CE1-CD2 4.28Å; F592-F612 AromaticContact CE2-CD2 3.7Å; F592-F612 HydrophobicContact CE2-CD2 3.7Å; F592-F612 AromaticContact CE2-CE2 3.6Å; F592-F612 HydrophobicContact CE2-CE2 3.6Å; F592-F612 HydrophobicContact CG-CD2 4.26Å; F592-F612 AromaticContact CZ-CD2 3.91Å; F592-F612 HydrophobicContact CZ-CD2 3.91Å; F592-F612 HydrophobicContact CZ-CE2 4.13Å; F592-F612 WeakPolarHBondContact O-CB 3.45Å; F592-F612 WeakPolarHBondContact O-CD2 3.28Å; F592-F612 PolarHBondContact O-N 3.1Å; A593-F612 CarbonylContact C-O 3.51Å; A593-F612 VanDerWaalsContact CA-O 3.28Å; A593-F612 WeakPolarHBondContact CA-O 3.19Å; A593-F612 HydrophobicContact CB-CB 4.26Å; D594-F612 PolarHBondContact N-O 3.15Å; G610-F612 VanDerWaalsContact C-N 3.31Å; F612-H617 CarbonylContact C-O 3.42Å; F612-H617 VanDerWaalsContact CA-O 3.22Å; F612-H617 WeakPolarHBondContact CA-O 3.25Å; F612-P618 HydrophobicContact CD1-CB 4.01Å; F612-P618 HydrophobicContact CE1-CB 3.87Å; F612-A622 HydrophobicContact CE1-CB 4.07Å; F612-A622 HydrophobicContact CZ-CB 4.23Å
613	T	98.9	Very high	98.5	Very high	18 Å²	18	37 Å²	37	11%	0.11	19%	0.185	C	C	.	.			trans	-65.5	165.7	164.2	72.1	0	0	0	0	110.1	A550 Q615 R616 H617 K619	A550-T613 HydrophobicContact CB-CG2 4.16Å; T613-Q615 PolarHBondContact O-N 3.07Å; T613-Q615 PolarHBondContact OG1-N 3.32Å; T613-Q615 PolarHBondContact OG1-OE1 2.84Å; T613-R616 PolarHBondContact O-N 3.12Å; T613-H617 HydrophobicContact CG2-CB 4.38Å; T613-H617 PolarHBondContact N-O 2.75Å; T613-H617 PolarHBondContact OG1-N 2.99Å; T613-K619 HydrophobicContact CG2-CG 4.47Å
614	R	98.8	Very high	98.4	Very high	23 Å²	23	37 Å²	37	9%	0.087	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.7	176.4	-165.2	169.8	-166.6	-141	9.9	112.6	Y217 D356 S357 D358 D594 R616	Y217-R614 PolarHBondContact OH-NH2 3.38Å; Y217-R614 VanDerWaalsContact OH-NH2 3.13Å; D356-R614 VanDerWaalsContact CG-NH2 3.28Å; D356-R614 IonicContact OD1-CZ 2.82Å; D356-R614 VanDerWaalsContact OD1-CZ 3.24Å; D356-R614 IonicContact OD1-NE 3.9Å; D356-R614 PolarHBondContact OD1-NE 2.89Å; D356-R614 IonicContact OD1-NH2 2.84Å; D356-R614 PolarHBondContact OD1-NH2 3.49Å; D356-R614 IonicContact OD2-CZ 3.75Å; D356-R614 IonicContact OD2-NE 3.05Å; D356-R614 IonicContact OD2-NH2 3.95Å; D356-R614 PolarHBondContact OD2-NH2 3.33Å; S357-R614 PolarHBondContact O-NH2 3.02Å; D358-R614 VanDerWaalsContact OD1-CD 3.28Å; D358-R614 WeakPolarHBondContact OD1-CD 3.38Å; D358-R614 IonicContact OD1-CZ 3.77Å; D358-R614 IonicContact OD1-NE 2.86Å; D358-R614 IonicContact OD1-NH1 2.76Å; D358-R614 PolarHBondContact OD1-NH1 2.88Å; D594-R614 HydrophobicContact CB-CB 4.21Å; D594-R614 WeakPolarHBondContact O-CA 3.08Å; D594-R614 WeakPolarHBondContact O-CB 3.3Å; D594-R614 WeakPolarHBondContact O-CG 3.48Å; R614-R616 VanDerWaalsContact C-N 3.33Å; R614-R616 WeakPolarHBondContact O-CD 3.5Å; R614-R616 PolarHBondContact O-N 3.26Å; R614-R616 PolarHBondContact O-NH1 3.02Å
615	Q	98.8	Very high	98.4	Very high	100 Å²	100	33.7 Å²	33.7	47%	0.467	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	11.6	176.9	-54.6	75.6	29.5	0	0	114.1	D358 T613 H617	D358-Q615 WeakPolarHBondContact OD2-CG 3.19Å; D358-Q615 PolarHBondContact OD2-NE2 3.4Å; T613-Q615 PolarHBondContact O-N 3.07Å; T613-Q615 PolarHBondContact OG1-N 3.32Å; T613-Q615 PolarHBondContact OG1-OE1 2.84Å; Q615-H617 PolarHBondContact O-N 2.59Å
616	R	98.8	Very high	98.5	Very high	14 Å²	14	31.6 Å²	31.6	5%	0.053	15%	0.15	C	C	.	.	S	Bend	trans	67	30.8	176	-79.6	60.4	176.9	170.6	3.8	114	D356 K371 D372 L375 F592 T613 R614	D356-R616 PolarHBondContact O-NH1 3.37Å; D356-R616 PolarHBondContact O-NH2 3.29Å; K371-R616 HydrophobicContact CG-CB 4Å; K371-R616 HydrophobicContact CG-CG 4.13Å; D372-R616 WeakPolarHBondContact OD1-CG 3.31Å; D372-R616 IonicContact OD1-CZ 2.72Å; D372-R616 IonicContact OD1-NE 3.65Å; D372-R616 PolarHBondContact OD1-NE 3.37Å; D372-R616 IonicContact OD1-NH2 3.33Å; D372-R616 IonicContact OD2-CZ 3.48Å; D372-R616 IonicContact OD2-NE 3.72Å; D372-R616 IonicContact OD2-NH2 3.63Å; D372-R616 PolarHBondContact OD2-NH2 2.9Å; L375-R616 HydrophobicContact CD1-CB 3.72Å; L375-R616 HydrophobicContact CD1-CG 3.83Å; F592-R616 HydrophobicContact CE1-CG 4.29Å; T613-R616 PolarHBondContact O-N 3.12Å; R614-R616 VanDerWaalsContact C-N 3.33Å; R614-R616 WeakPolarHBondContact O-CD 3.5Å; R614-R616 PolarHBondContact O-N 3.26Å; R614-R616 PolarHBondContact O-NH1 3.02Å
617	H	98.8	Very high	98.5	Very high	119 Å²	119	38 Å²	38	55%	0.551	18%	0.179	S	C	*	.	P	Polyproline II helix	trans	-94.3	136.6	167.9	-64.5	-66	0	0	0	110.7	F612 T613 Q615	F612-H617 CarbonylContact C-O 3.42Å; F612-H617 VanDerWaalsContact CA-O 3.22Å; F612-H617 WeakPolarHBondContact CA-O 3.25Å; T613-H617 HydrophobicContact CG2-CB 4.38Å; T613-H617 PolarHBondContact N-O 2.75Å; T613-H617 PolarHBondContact OG1-N 2.99Å; Q615-H617 PolarHBondContact O-N 2.59Å
618	P	98.8	Very high	98.4	Very high	55 Å²	55	38.3 Å²	38.3	36%	0.357	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-70.1	133.6	-179	27.8	-33	0	0	0	111.2	F612 A622 F623	F612-P618 HydrophobicContact CD1-CB 4.01Å; F612-P618 HydrophobicContact CE1-CB 3.87Å; P618-A622 HydrophobicContact CB-CB 3.82Å; P618-F623 HydrophobicContact CB-CD2 4.5Å; P618-F623 HydrophobicContact CB-CE2 3.76Å; P618-F623 HydrophobicContact CB-CZ 4.01Å; P618-F623 HydrophobicContact CG-CE2 3.89Å; P618-F623 HydrophobicContact CG-CZ 3.74Å
619	K	98.7	Very high	98.4	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-78.7	168.4	157.3	-57	-177.8	-168.7	166.7	0	109.2	A548 D594 K608 G610 I611 T613 V621 A622	A548-K619 HydrophobicContact CB-CD 4.26Å; A548-K619 PolarHBondContact O-NZ 3.04Å; D594-K619 VanDerWaalsContact CG-NZ 3.32Å; D594-K619 IonicContact OD1-NZ 3.64Å; D594-K619 PolarHBondContact OD1-NZ 2.77Å; D594-K619 WeakPolarHBondContact OD2-CE 2.93Å; D594-K619 IonicContact OD2-NZ 2.83Å; D594-K619 PolarHBondContact OD2-NZ 3.12Å; D594-K619 VanDerWaalsContact OD2-NZ 3.13Å; K608-K619 PolarHBondContact O-NZ 3.14Å; G610-K619 WeakPolarHBondContact O-CD 3.28Å; G610-K619 VanDerWaalsContact O-CE 3.27Å; G610-K619 WeakPolarHBondContact O-CE 3.31Å; G610-K619 PolarHBondContact O-NZ 3.38Å; I611-K619 WeakPolarHBondContact O-CB 3.31Å; I611-K619 PolarHBondContact O-N 2.85Å; T613-K619 HydrophobicContact CG2-CG 4.47Å; K619-V621 PolarHBondContact O-N 2.83Å; K619-V621 VanDerWaalsContact O-N 3.13Å; K619-A622 WeakPolarHBondContact O-CB 3.34Å; K619-A622 PolarHBondContact O-N 3.3Å
620	N	95.8	Very high	98.4	Very high	75 Å²	75	40.4 Å²	40.4	40%	0.401	19%	0.187	S	C	.	.	H	α-helix	trans	-53.4	-37.8	-179.8	-77.2	-20.2	0	0	0	113.2	E562 A622 F623	E562-N620 HydrophobicContact CB-CB 4.42Å; E562-N620 VanDerWaalsContact OE2-CB 3.23Å; E562-N620 WeakPolarHBondContact OE2-CB 3.26Å; E562-N620 PolarHBondContact OE2-N 3.08Å; E562-N620 PolarHBondContact OE2-ND2 2.74Å; N620-A622 VanDerWaalsContact C-N 3.25Å; N620-A622 PolarHBondContact O-N 3.21Å; N620-F623 PolarHBondContact O-N 2.88Å
621	V	97.6	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-25.7	-178.4	81.7	0	0	0	0	113.8	Q565 L569 I611 K619 F623 I624 L625	Q565-V621 VanDerWaalsContact CD-CG1 3.47Å; Q565-V621 HydrophobicContact CG-CB 4.28Å; Q565-V621 HydrophobicContact CG-CG1 4.18Å; Q565-V621 HydrophobicContact CG-CG2 4.31Å; L569-V621 HydrophobicContact CB-CG2 4.39Å; L569-V621 HydrophobicContact CD1-CG2 4.29Å; L569-V621 HydrophobicContact CD2-CG2 3.31Å; L569-V621 HydrophobicContact CG-CG2 4.16Å; I611-V621 HydrophobicContact CB-CG1 3.78Å; I611-V621 HydrophobicContact CG2-CG1 3.62Å; K619-V621 PolarHBondContact O-N 2.83Å; K619-V621 VanDerWaalsContact O-N 3.13Å; V621-F623 PolarHBondContact O-N 2.97Å; V621-I624 PolarHBondContact O-N 3.37Å; V621-L625 PolarHBondContact O-N 3Å
622	A	98.8	Very high	98.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-34.1	-179.8	0	0	0	0	0	111.7	W378 L379 I611 F612 P618 K619 N620 R626	W378-A622 HydrophobicContact CH2-CB 4.22Å; W378-A622 HydrophobicContact CZ3-CB 4.14Å; L379-A622 WeakPolarHBondContact CD1-O 3.33Å; I611-A622 HydrophobicContact CB-CB 4.34Å; F612-A622 HydrophobicContact CE1-CB 4.07Å; F612-A622 HydrophobicContact CZ-CB 4.23Å; P618-A622 HydrophobicContact CB-CB 3.82Å; K619-A622 WeakPolarHBondContact O-CB 3.34Å; K619-A622 PolarHBondContact O-N 3.3Å; N620-A622 VanDerWaalsContact C-N 3.25Å; N620-A622 PolarHBondContact O-N 3.21Å; A622-R626 WeakPolarHBondContact O-CB 3.33Å; A622-R626 PolarHBondContact O-N 3.12Å
623	F	98.7	Very high	98.1	Very high	96 Å²	96	46.1 Å²	46.1	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-70.5	-37.8	176.7	-62.1	-84.4	0	0	0	112.1	W378 P618 N620 V621 R626 E627	W378-F623 AromaticContact CH2-CD1 3.87Å; W378-F623 HydrophobicContact CH2-CD1 3.87Å; W378-F623 AromaticContact CH2-CE1 4Å; W378-F623 HydrophobicContact CH2-CE1 4Å; W378-F623 HydrophobicContact CH2-CG 4.3Å; W378-F623 AromaticContact CZ2-CD1 3.67Å; W378-F623 HydrophobicContact CZ2-CD1 3.67Å; W378-F623 AromaticContact CZ2-CE1 3.6Å; W378-F623 HydrophobicContact CZ2-CE1 3.6Å; W378-F623 HydrophobicContact CZ2-CZ 4.41Å; P618-F623 HydrophobicContact CB-CD2 4.5Å; P618-F623 HydrophobicContact CB-CE2 3.76Å; P618-F623 HydrophobicContact CB-CZ 4.01Å; P618-F623 HydrophobicContact CG-CE2 3.89Å; P618-F623 HydrophobicContact CG-CZ 3.74Å; N620-F623 PolarHBondContact O-N 2.88Å; V621-F623 PolarHBondContact O-N 2.97Å; F623-R626 WeakPolarHBondContact O-CB 3.47Å; F623-R626 PolarHBondContact O-N 2.86Å; F623-E627 WeakPolarHBondContact O-CG 3.06Å; F623-E627 PolarHBondContact O-N 3.32Å
624	I	96.6	Very high	97.9	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.185	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-45.8	178.1	-57.8	178	0	0	0	110.2	K566 V621 R626 E627 R628	K566-I624 HydrophobicContact CB-CD1 3.82Å; K566-I624 HydrophobicContact CD-CD1 3.46Å; K566-I624 VanDerWaalsContact CD-CD1 3.46Å; K566-I624 HydrophobicContact CG-CD1 3.37Å; V621-I624 PolarHBondContact O-N 3.37Å; I624-R626 VanDerWaalsContact C-N 3.27Å; I624-R626 PolarHBondContact O-N 3.29Å; I624-E627 PolarHBondContact O-N 2.6Å; I624-R628 PolarHBondContact O-N 3.05Å
625	L	98.4	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-36.1	177.6	-165.6	67.4	0	0	0	111.4	L379 L569 I589 I611 V621 R628 Y629	L379-L625 HydrophobicContact CD1-CB 4.03Å; L379-L625 HydrophobicContact CD1-CD2 4.25Å; L379-L625 HydrophobicContact CD1-CG 4.21Å; L379-L625 HydrophobicContact CD2-CD2 4.26Å; L569-L625 HydrophobicContact CD2-CD1 4.42Å; I589-L625 HydrophobicContact CB-CD2 4.03Å; I589-L625 HydrophobicContact CG1-CD2 4.4Å; I589-L625 HydrophobicContact CG2-CD2 3.5Å; I611-L625 HydrophobicContact CD1-CD2 3.77Å; V621-L625 PolarHBondContact O-N 3Å; L625-R628 WeakPolarHBondContact O-CB 3.36Å; L625-R628 PolarHBondContact O-N 3.36Å; L625-Y629 HydrophobicContact CD1-CD1 4.19Å; L625-Y629 HydrophobicContact CD1-CE1 3.52Å; L625-Y629 HydrophobicContact CD1-CE2 4.19Å; L625-Y629 HydrophobicContact CD2-CE2 3.84Å; L625-Y629 HydrophobicContact CG-CD1 4.37Å; L625-Y629 HydrophobicContact CG-CD2 4.21Å; L625-Y629 HydrophobicContact CG-CE1 3.95Å; L625-Y629 HydrophobicContact CG-CE2 3.74Å; L625-Y629 PolarHBondContact O-N 2.83Å
626	R	98.8	Very high	96.2	Very high	90 Å²	90	50.3 Å²	50.3	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-52.3	172.7	179	177.6	-178.5	-89.3	-5.4	111.9	W378 L379 A622 F623 I624 R628 Y629 W630	W378-R626 HydrophobicContact CH2-CB 4.39Å; W378-R626 VanDerWaalsContact CZ2-CD 3.48Å; W378-R626 HydrophobicContact CZ3-CB 4.4Å; W378-R626 WeakPolarHBondContact O-CD 3.31Å; W378-R626 WeakPolarHBondContact O-CG 3.45Å; W378-R626 PolarHBondContact O-NE 3.29Å; L379-R626 HydrophobicContact CD1-CB 3.94Å; L379-R626 WeakPolarHBondContact O-CA 3.48Å; A622-R626 WeakPolarHBondContact O-CB 3.33Å; A622-R626 PolarHBondContact O-N 3.12Å; F623-R626 WeakPolarHBondContact O-CB 3.47Å; F623-R626 PolarHBondContact O-N 2.86Å; I624-R626 VanDerWaalsContact C-N 3.27Å; I624-R626 PolarHBondContact O-N 3.29Å; R626-R628 VanDerWaalsContact C-N 3.25Å; R626-R628 PolarHBondContact O-N 3.43Å; R626-Y629 PolarHBondContact O-N 3.3Å; R626-W630 VanDerWaalsContact O-CD1 3.26Å; R626-W630 PolarHBondContact O-N 2.96Å
627	E	98.6	Very high	94.6	Very high	137 Å²	137	53.8 Å²	53.8	64%	0.64	25%	0.249	S	C	*	.	H	α-helix	trans	-56.9	-42.5	177.8	-72.4	178.5	-179.9	0	0	111.6	F623 I624 R631	F623-E627 WeakPolarHBondContact O-CG 3.06Å; F623-E627 PolarHBondContact O-N 3.32Å; I624-E627 PolarHBondContact O-N 2.6Å; E627-R631 VanDerWaalsContact O-CB 3.25Å; E627-R631 WeakPolarHBondContact O-CB 3.32Å; E627-R631 PolarHBondContact O-N 2.8Å
628	R	98.3	Very high	92.2	Very high	7 Å²	7	55.1 Å²	55.1	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-51.2	176.4	178.1	173.4	-178.4	70.5	11.7	112.5	H573 D577 E587 I624 L625 R626 R631 I632	H573-R628 PolarHBondContact CD2-NE 3.19Å; H573-R628 WeakPolarHBondContact CE1-CD 3.42Å; H573-R628 VanDerWaalsContact CG-CD 3.48Å; H573-R628 VanDerWaalsContact ND1-CD 3.26Å; H573-R628 WeakPolarHBondContact ND1-CD 3.24Å; D577-R628 VanDerWaalsContact CG-NH1 3.32Å; D577-R628 IonicContact OD1-CZ 3.61Å; D577-R628 IonicContact OD1-NH1 2.8Å; D577-R628 PolarHBondContact OD1-NH1 2.95Å; D577-R628 IonicContact OD1-NH2 3.82Å; D577-R628 PolarHBondContact OD1-NH2 2.8Å; D577-R628 IonicContact OD2-CZ 3.07Å; D577-R628 IonicContact OD2-NH1 3.12Å; D577-R628 PolarHBondContact OD2-NH1 2.93Å; E587-R628 IonicContact OE1-CZ 3.71Å; E587-R628 IonicContact OE1-NE 2.92Å; E587-R628 PolarHBondContact OE1-NE 3Å; E587-R628 VanDerWaalsContact OE1-NE 3.08Å; E587-R628 IonicContact OE1-NH2 2.78Å; E587-R628 PolarHBondContact OE1-NH2 3.33Å; E587-R628 IonicContact OE2-CZ 3.71Å; E587-R628 IonicContact OE2-NE 3.91Å; E587-R628 PolarHBondContact OE2-NE 2.91Å; E587-R628 IonicContact OE2-NH2 3.63Å; I624-R628 PolarHBondContact O-N 3.05Å; L625-R628 WeakPolarHBondContact O-CB 3.36Å; L625-R628 PolarHBondContact O-N 3.36Å; R626-R628 VanDerWaalsContact C-N 3.25Å; R626-R628 PolarHBondContact O-N 3.43Å; R628-R631 WeakPolarHBondContact O-CB 3.45Å; R628-R631 PolarHBondContact O-N 3.29Å; R628-I632 HydrophobicContact CG-CD1 3.8Å; R628-I632 HydrophobicContact CG-CG1 4.48Å; R628-I632 WeakPolarHBondContact O-CG1 3.4Å; R628-I632 PolarHBondContact O-N 3.41Å
629	Y	98.7	Very high	89.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-41.3	-173.7	-71.9	-2.2	0	0	0	112.3	H349 G350 L379 A381 E587 L625 R626 R631 I632 A633	H349-Y629 HydrophobicContact CB-CD1 3.69Å; H349-Y629 HydrophobicContact CB-CD2 4.49Å; H349-Y629 HydrophobicContact CB-CE1 3.8Å; H349-Y629 HydrophobicContact CB-CG 4.05Å; G350-Y629 PolarHBondContact N-OH 3.45Å; G350-Y629 PolarHBondContact O-OH 3.49Å; L379-Y629 HydrophobicContact CD2-CD2 4.42Å; L379-Y629 HydrophobicContact CD2-CE2 4.28Å; L379-Y629 HydrophobicContact CG-CD2 4.01Å; L379-Y629 HydrophobicContact CG-CE2 4.34Å; L379-Y629 WeakPolarHBondContact O-CB 3.05Å; A381-Y629 HydrophobicContact CB-CD2 4.25Å; A381-Y629 HydrophobicContact CB-CE2 4.34Å; E587-Y629 HydrophobicContact CG-CE1 4.2Å; L625-Y629 HydrophobicContact CD1-CD1 4.19Å; L625-Y629 HydrophobicContact CD1-CE1 3.52Å; L625-Y629 HydrophobicContact CD1-CE2 4.19Å; L625-Y629 HydrophobicContact CD2-CE2 3.84Å; L625-Y629 HydrophobicContact CG-CD1 4.37Å; L625-Y629 HydrophobicContact CG-CD2 4.21Å; L625-Y629 HydrophobicContact CG-CE1 3.95Å; L625-Y629 HydrophobicContact CG-CE2 3.74Å; L625-Y629 PolarHBondContact O-N 2.83Å; R626-Y629 PolarHBondContact O-N 3.3Å; Y629-R631 VanDerWaalsContact C-N 3.31Å; Y629-R631 PolarHBondContact O-N 2.83Å; Y629-I632 PolarHBondContact O-N 3.12Å; Y629-A633 WeakPolarHBondContact O-CB 3.22Å; Y629-A633 PolarHBondContact O-N 3.08Å
630	W	98.4	Very high	87.2	Confident	75 Å²	75	66.1 Å²	66.1	28%	0.284	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-36.5	172.8	-79.2	95.4	0	0	0	112.5	Y297 L298 W378 R626 N634	Y297-W630 VanDerWaalsContact OH-CH2 3.31Å; Y297-W630 WeakPolarHBondContact OH-CH2 3.43Å; Y297-W630 WeakPolarHBondContact OH-CZ2 3.32Å; L298-W630 HydrophobicContact CD2-CE3 4.49Å; L298-W630 HydrophobicContact CD2-CH2 3.98Å; L298-W630 HydrophobicContact CD2-CZ3 3.82Å; W378-W630 PolarHBondContact O-NE1 3.36Å; W378-W630 VanDerWaalsContact O-NE1 3.1Å; R626-W630 VanDerWaalsContact O-CD1 3.26Å; R626-W630 PolarHBondContact O-N 2.96Å; W630-N634 WeakPolarHBondContact O-CB 3.14Å; W630-N634 VanDerWaalsContact O-CG 3.25Å; W630-N634 PolarHBondContact O-N 3.43Å; W630-N634 PolarHBondContact O-ND2 3.04Å
631	R	97.9	Very high	84.2	Confident	120 Å²	120	67.5 Å²	67.5	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-49	173.8	178.6	-178.9	62.1	167	5.9	111.6	D577 E627 R628 Y629 A633 N634 E635	D577-R631 IonicContact OD2-NH2 2.76Å; E627-R631 VanDerWaalsContact O-CB 3.25Å; E627-R631 WeakPolarHBondContact O-CB 3.32Å; E627-R631 PolarHBondContact O-N 2.8Å; R628-R631 WeakPolarHBondContact O-CB 3.45Å; R628-R631 PolarHBondContact O-N 3.29Å; Y629-R631 VanDerWaalsContact C-N 3.31Å; Y629-R631 PolarHBondContact O-N 2.83Å; R631-A633 VanDerWaalsContact C-N 3.33Å; R631-A633 PolarHBondContact O-N 2.88Å; R631-N634 PolarHBondContact O-N 3.43Å; R631-E635 WeakPolarHBondContact O-CG 3.33Å; R631-E635 PolarHBondContact O-N 3.45Å; R631-E635 VanDerWaalsContact O-N 3.13Å
632	I	97.4	Very high	81.1	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-45.1	178	-68.2	168.6	0	0	0	110.6	Y347 R628 Y629 N634 E635 T636	Y347-I632 HydrophobicContact CD1-CG2 4.05Å; Y347-I632 HydrophobicContact CE1-CD1 4.3Å; R628-I632 HydrophobicContact CG-CD1 3.8Å; R628-I632 HydrophobicContact CG-CG1 4.48Å; R628-I632 WeakPolarHBondContact O-CG1 3.4Å; R628-I632 PolarHBondContact O-N 3.41Å; Y629-I632 PolarHBondContact O-N 3.12Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.44Å; I632-E635 PolarHBondContact O-N 2.95Å; I632-T636 PolarHBondContact O-N 3.05Å; I632-T636 PolarHBondContact O-OG1 3.25Å
633	A	95.5	Very high	78	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-62.1	-36.5	178.7	0	0	0	0	0	113.4	L298 Y629 R631 T636 R637	L298-A633 HydrophobicContact CB-CB 3.96Å; L298-A633 HydrophobicContact CD1-CB 3.49Å; L298-A633 VanDerWaalsContact CD1-CB 3.49Å; L298-A633 HydrophobicContact CG-CB 4.24Å; Y629-A633 WeakPolarHBondContact O-CB 3.22Å; Y629-A633 PolarHBondContact O-N 3.08Å; R631-A633 VanDerWaalsContact C-N 3.33Å; R631-A633 PolarHBondContact O-N 2.88Å; A633-T636 PolarHBondContact O-N 2.9Å; A633-T636 PolarHBondContact O-OG1 3.06Å; A633-R637 WeakPolarHBondContact O-CG 3.25Å; A633-R637 PolarHBondContact O-N 3.34Å
634	N	93.1	Very high	74.9	Confident	71 Å²	71	86.5 Å²	86.5	38%	0.38	42%	0.416	S	S	.	.	H	α-helix	trans	-72.3	-35.2	177.7	-72.3	-22.1	0	0	0	112.2	W630 R631 I632 T636 R637 H638	W630-N634 WeakPolarHBondContact O-CB 3.14Å; W630-N634 VanDerWaalsContact O-CG 3.25Å; W630-N634 PolarHBondContact O-N 3.43Å; W630-N634 PolarHBondContact O-ND2 3.04Å; R631-N634 PolarHBondContact O-N 3.43Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.44Å; N634-T636 VanDerWaalsContact C-N 3.27Å; N634-T636 PolarHBondContact O-N 3.48Å; N634-R637 PolarHBondContact O-N 2.89Å; N634-H638 PolarHBondContact O-CD2 3.15Å; N634-H638 PolarHBondContact O-N 3.03Å
635	E	90.4	Very high	71.9	Confident	83 Å²	83	91.3 Å²	91.3	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-37.1	174.3	-70.6	174.7	-168.5	0	0	112	R580 R631 I632	R580-E635 IonicContact CZ-OE2 2.76Å; R580-E635 IonicContact NH1-OE2 2.99Å; R580-E635 PolarHBondContact NH1-OE2 2.77Å; R580-E635 IonicContact NH2-OE1 3.8Å; R580-E635 PolarHBondContact NH2-OE1 2.99Å; R580-E635 IonicContact NH2-OE2 3.59Å; R580-E635 PolarHBondContact NH2-OE2 3.12Å; R631-E635 WeakPolarHBondContact O-CG 3.33Å; R631-E635 PolarHBondContact O-N 3.45Å; R631-E635 VanDerWaalsContact O-N 3.13Å; I632-E635 PolarHBondContact O-N 2.95Å
636	T	72.9	Confident	68.8	Low	75 Å²	75	100.4 Å²	100.4	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-78.3	-27.9	-179.5	55.9	0	0	0	0	113	I632 A633 N634	I632-T636 PolarHBondContact O-N 3.05Å; I632-T636 PolarHBondContact O-OG1 3.25Å; A633-T636 PolarHBondContact O-N 2.9Å; A633-T636 PolarHBondContact O-OG1 3.06Å; N634-T636 VanDerWaalsContact C-N 3.27Å; N634-T636 PolarHBondContact O-N 3.48Å
637	R	64	Low	65.4	Low	86 Å²	86	102.1 Å²	102.1	33%	0.325	51%	0.514	S	S	.	.	H	α-helix	trans	-71	-36.1	175.7	-77.1	178.5	170.3	-150.3	-12.3	113.9	L298 A633 N634 H639 H640	L298-R637 PolarHBondContact O-NE 3.41Å; A633-R637 WeakPolarHBondContact O-CG 3.25Å; A633-R637 PolarHBondContact O-N 3.34Å; N634-R637 PolarHBondContact O-N 2.89Å; R637-H639 PolarHBondContact O-N 3Å; R637-H639 VanDerWaalsContact O-N 3.15Å; R637-H640 PolarHBondContact O-N 2.99Å
638	H	48.3	Very low	62.5	Low	148 Å²	148	103.9 Å²	103.9	69%	0.685	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.5	-171.6	-73.4	-50.2	0	0	0	116.2	N634 H640	N634-H638 PolarHBondContact O-CD2 3.15Å; N634-H638 PolarHBondContact O-N 3.03Å; H638-H640 PolarHBondContact O-N 3.33Å
639	H	47.3	Very low	59.1	Low	163 Å²	163	107.1 Å²	107.1	76%	0.755	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-4.6	167.4	-79.8	-54.2	0	0	0	113.9	R637	R637-H639 PolarHBondContact O-N 3Å; R637-H639 VanDerWaalsContact O-N 3.15Å
640	H	45.8	Very low	56	Low	125 Å²	125	113.4 Å²	113.4	58%	0.579	60%	0.601	S	S	*	*	S	Bend	trans	-140.1	72.9	-179	-63.2	-52.5	0	0	0	112.6	K344 R637 H638	K344-H640 PolarHBondContact NZ-CD2 2.95Å; K344-H640 VanDerWaalsContact NZ-CD2 3.3Å; K344-H640 PolarHBondContact NZ-NE2 3.04Å; R637-H640 PolarHBondContact O-N 2.99Å; H638-H640 PolarHBondContact O-N 3.33Å
641	S	33.2	Very low	53	Low	104 Å²	104	121.3 Å²	121.3	73%	0.727	63%	0.631	S	S	*	*			trans	173.6	140.3	140.6	39.9	0	0	0	0	113.4
642	V	32.3	Very low	50.5	Low	129 Å²	129	120.4 Å²	120.4	78%	0.782	64%	0.641	S	S	*	*			trans	-53.4	142	159.8	174	0	0	0	0	109.2	R644	V642-R644 PolarHBondContact O-N 3.39Å
643	P	33.3	Very low	47.5	Very low	123 Å²	123	126 Å²	126	80%	0.799	67%	0.665	S	S	*	*			trans	-66	121.8	-170.2	25.6	-33.6	0	0	0	111.6
644	R	34	Very low	44.4	Very low	243 Å²	243	132.4 Å²	132.4	92%	0.917	70%	0.704	S	S	*	*			trans	-133.1	145.4	157.6	-84.5	-168.9	176.4	-179.1	-0	111.4	V642	V642-R644 PolarHBondContact O-N 3.39Å
645	T	32.8	Very low	41.6	Very low	138 Å²	138	140.7 Å²	140.7	85%	0.847	74%	0.737	S	S	*	*			trans	-54.8	139.3	-166.2	-1.7	0	0	0	0	114.5	C647	T645-C647 PolarHBondContact O-N 3.19Å
646	Q	34.3	Very low	39.2	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	76%	0.755	S	S	*	*			trans	-57.9	114.8	170.9	-75.7	174.2	-19.6	0	0	111
647	C	27.9	Very low	37.4	Very low	126 Å²	126	147.2 Å²	147.2	85%	0.851	77%	0.77	S	S	*	*			trans	-118.2	109.7	152.4	-89.6	0	0	0	0	107.4	T645 G649	T645-C647 PolarHBondContact O-N 3.19Å; C647-G649 PolarHBondContact O-N 3.2Å
648	L	35.6	Very low	36	Very low	174 Å²	174	150.6 Å²	150.6	91%	0.911	80%	0.795	S	S	*	*			trans	-63.7	97.5	168.9	-82.3	152.1	0	0	0	108.7	T650	L648-T650 PolarHBondContact O-N 2.97Å
649	G	27.8	Very low	35.2	Very low	75 Å²	75	150.8 Å²	150.8	77%	0.773	80%	0.802	S	S	*	*			trans	-86.1	99.2	168.5	0	0	0	0	0	110.1	C647 R651	C647-G649 PolarHBondContact O-N 3.2Å; G649-R651 PolarHBondContact O-N 2.73Å
650	T	34.3	Very low	34.5	Very low	132 Å²	132	150 Å²	150	81%	0.81	81%	0.805	S	S	*	*			trans	-63.8	115.1	163	43.7	0	0	0	0	109.6	L648	L648-T650 PolarHBondContact O-N 2.97Å
651	R	34.7	Very low	33.7	Very low	241 Å²	241	151.7 Å²	151.7	91%	0.909	82%	0.82	S	S	*	*			trans	-110.5	113.9	152.9	-79.5	-168.8	179.7	-172.7	0.7	108.3	G649	G649-R651 PolarHBondContact O-N 2.73Å
652	P	44.8	Very low	33.8	Very low	102 Å²	102	155.1 Å²	155.1	66%	0.662	83%	0.826	S	S	*	*			trans	-74.3	143.6	160.8	28.1	-22.1	0	0	0	108.7	T654	P652-T654 PolarHBondContact O-N 2.95Å
653	F	35.9	Very low	33.9	Very low	119 Å²	119	157.1 Å²	157.1	52%	0.522	83%	0.83	S	S	.	*			trans	-40	120.3	168.6	-57.3	-93.3	0	0	0	111.5	N374 Y402	N374-F653 WeakPolarHBondContact OD1-CZ 3.2Å; Y402-F653 HydrophobicContact CE1-CE1 4.09Å
654	T	29.8	Very low	33.9	Very low	134 Å²	134	159.9 Å²	159.9	82%	0.822	83%	0.832	S	S	*	*			trans	-111.8	119.3	162.9	39.9	0	0	0	0	107.6	P652	P652-T654 PolarHBondContact O-N 2.95Å
655	F	35.2	Very low	33.9	Very low	245 Å²	245	152.4 Å²	152.4	100%	1.075	83%	0.825	S	S	*	*			trans	-74.8	0	174.6	-75	-84.9	0	0	0	111.4

Retrieved 655 of 655 residues in 221.3 ms (Link to these results)

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