A0A090N8P3_HUMAN Loading...

peptidylprolyl isomerase

PPIases accelerate the folding of proteins during protein synthesis.

AlphaFold DB , UniProt , Accession A0A090N8P3, Species HUMAN (Homo sapiens, Human), Gene FKBP9, Length 570 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.6	Very low	34.8	Very low	241 Å²	241	154 Å²	154	100%	1.187	80%	0.798	S	S	*	*				0	128.1	0	-65.1	158.2	173.4	0	0	105.9
2	A	29	Very low	35.3	Very low	77 Å²	77	151.1 Å²	151.1	64%	0.636	80%	0.796	S	S	*	*			cis	65.3	129.3	46.8	0	0	0	0	0	111.5
3	F	27.3	Very low	34.9	Very low	173 Å²	173	151.2 Å²	151.2	76%	0.759	80%	0.797	S	S	*	*			cis	-157.3	170.4	-1.3	-91.1	-39.2	0	0	0	107.3
4	R	31.6	Very low	34.4	Very low	213 Å²	213	150.9 Å²	150.9	80%	0.804	80%	0.795	S	S	*	*			cis	-159	-175.5	-0	-110.5	160.4	-162.5	-165.9	2.8	105.9
5	G	28.5	Very low	34.1	Very low	61 Å²	61	149.4 Å²	149.4	63%	0.629	79%	0.786	S	S	*	*			cis	-165.3	162.1	3.4	0	0	0	0	0	109.2
6	W	24.9	Very low	33.8	Very low	243 Å²	243	151 Å²	151	92%	0.92	80%	0.795	S	S	*	*				69.9	127.9	67.2	-121.6	57.2	0	0	0	114.1
7	R	28.2	Very low	33.8	Very low	223 Å²	223	149 Å²	149	84%	0.842	78%	0.784	S	S	*	*			cis	-166.6	175.4	-24.7	-120	-165.5	178.6	-159.1	-0.5	108.4
8	P	50.3	Low	33.5	Very low	106 Å²	106	149.8 Å²	149.8	69%	0.688	79%	0.788	S	S	*	*			trans	-89.9	-177.6	-166.2	41.8	-42.1	0	0	0	114.3
9	P	38.5	Very low	33.2	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	79%	0.789	S	S	*	*				-143.6	-135.5	86.2	32.6	-6.9	0	0	0	115.4
10	P	36.6	Very low	33.1	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	78%	0.782	S	S	*	*				-122.3	179.9	-108	41.4	-23.1	0	0	0	116.3
11	P	52.1	Low	33.1	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	79%	0.785	S	S	*	*			trans	-92.7	174.3	-172.4	38.7	-37.5	0	0	0	115.1
12	P	41.5	Very low	32.9	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	77%	0.765	S	S	*	*				-150.8	-167.2	109.5	41.7	-24.2	0	0	0	116.7
13	L	29.3	Very low	33.1	Very low	153 Å²	153	148 Å²	148	80%	0.801	78%	0.779	S	S	*	*			trans	-58.5	170.4	-179.9	-62.6	70.1	0	0	0	113.9
14	L	28.5	Very low	33.8	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	79%	0.785	S	S	*	*				-171.8	173.5	52	-163.4	65.5	0	0	0	114.1
15	L	29.4	Very low	34.1	Very low	128 Å²	128	138.9 Å²	138.9	67%	0.67	78%	0.781	S	S	*	*			trans	-45.2	154.8	-179.8	-73.6	69.7	0	0	0	118.4	L17	L15-L17 HydrophobicContact CD2-CD1 4.17Å
16	L	29.7	Very low	34.4	Very low	175 Å²	175	141.7 Å²	141.7	92%	0.916	79%	0.788	S	S	*	*				-157	155.6	121.8	-113	157.3	0	0	0	112.4
17	L	33.3	Very low	35.2	Very low	117 Å²	117	136.8 Å²	136.8	61%	0.613	79%	0.785	S	S	*	*			trans	-114.2	153.3	-176.4	-67.5	83.4	0	0	0	112	L15	L15-L17 HydrophobicContact CD2-CD1 4.17Å
18	L	28.3	Very low	35.4	Very low	164 Å²	164	130.8 Å²	130.8	86%	0.859	78%	0.782	S	S	*	*			trans	-174.3	123.3	145.6	-94.7	146.3	0	0	0	105.8
19	W	28.6	Very low	34.7	Very low	214 Å²	214	129 Å²	129	81%	0.811	78%	0.783	S	S	*	*				58	125.6	62.9	-71.2	65	0	0	0	112.1
20	V	30.4	Very low	34.6	Very low	106 Å²	106	131 Å²	131	64%	0.642	79%	0.786	S	S	*	*			cis	-160.1	164.5	10.5	80.8	0	0	0	0	113.5
21	T	33.8	Very low	34.6	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	79%	0.785	S	S	*	*			trans	58.4	128.3	166.4	53.8	0	0	0	0	120.7
22	G	30	Very low	34.4	Very low	76 Å²	76	128.6 Å²	128.6	78%	0.784	79%	0.786	S	S	*	*			trans	-174.3	103.6	166.1	0	0	0	0	0	110.4
23	Q	34	Very low	35	Very low	197 Å²	197	128.7 Å²	128.7	92%	0.921	78%	0.78	S	S	*	*			trans	-40	137.7	-169.8	-69.5	164.1	-26.1	0	0	116.3	A25	Q23-A25 PolarHBondContact O-N 3.35Å
24	A	42.3	Very low	36.8	Very low	106 Å²	106	124.2 Å²	124.2	88%	0.876	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-70.3	119	168	0	0	0	0	0	110.9
25	A	36.8	Very low	39.7	Very low	87 Å²	87	124.6 Å²	124.6	72%	0.719	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-88.9	153.7	164.5	0	0	0	0	0	109.8	Q23	Q23-A25 PolarHBondContact O-N 3.35Å
26	P	35.9	Very low	42.8	Very low	121 Å²	121	120.3 Å²	120.3	79%	0.786	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74.1	142.7	-163.5	28.4	-35.6	0	0	0	114	A28	P26-A28 PolarHBondContact O-N 3.07Å
27	V	41	Very low	46	Very low	140 Å²	140	116.9 Å²	116.9	85%	0.848	72%	0.72	S	S	*	*			trans	-71.2	98.4	166.1	179.7	0	0	0	0	108.4	G29	V27-G29 PolarHBondContact O-N 3.1Å; V27-G29 VanDerWaalsContact O-N 3.1Å
28	A	33.9	Very low	49	Very low	96 Å²	96	114.8 Å²	114.8	79%	0.793	71%	0.709	S	S	*	*			trans	-77	94.6	-179	0	0	0	0	0	111.6	P26	P26-A28 PolarHBondContact O-N 3.07Å
29	G	34.8	Very low	52.3	Low	69 Å²	69	110.9 Å²	110.9	71%	0.711	69%	0.686	S	S	*	*			trans	45.4	89.2	153.3	0	0	0	0	0	118.1	V27 G31	V27-G29 PolarHBondContact O-N 3.1Å; V27-G29 VanDerWaalsContact O-N 3.1Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 2.89Å
30	L	35.8	Very low	55.5	Low	165 Å²	165	107.7 Å²	107.7	86%	0.864	67%	0.674	S	S	*	*			trans	-66.9	87.1	157.7	-87.3	163.9	0	0	0	109.8	S32	L30-S32 PolarHBondContact O-N 2.91Å
31	G	37.3	Very low	58.6	Low	70 Å²	70	108.2 Å²	108.2	72%	0.722	66%	0.664	S	S	*	*			trans	-72.1	74.3	173.1	0	0	0	0	0	111.6	G29 D33	G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 2.89Å; G31-D33 PolarHBondContact O-N 3.27Å
32	S	47	Very low	61.6	Low	114 Å²	114	106.6 Å²	106.6	80%	0.797	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	50.4	-169.1	65.8	0	0	0	0	114.6	L30	L30-S32 PolarHBondContact O-N 2.91Å
33	D	54.2	Low	64.7	Low	121 Å²	121	105.8 Å²	105.8	65%	0.647	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.6	35.2	169.6	-129.7	-11.6	0	0	0	115.6	G31 E35 K114	G31-D33 PolarHBondContact O-N 3.27Å; D33-E35 PolarHBondContact O-N 2.91Å; D33-K114 IonicContact OD1-NZ 3.42Å; D33-K114 PolarHBondContact OD1-NZ 2.62Å
34	A	68.1	Low	67.5	Low	58 Å²	58	97.5 Å²	97.5	48%	0.479	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-57.7	125.8	172.7	0	0	0	0	0	111.7	P112 K114	A34-P112 HydrophobicContact CB-CB 4.05Å; A34-P112 WeakPolarHBondContact O-CB 3.26Å; A34-P112 VanDerWaalsContact O-CG 3.27Å; A34-P112 WeakPolarHBondContact O-CG 3.33Å; A34-K114 WeakPolarHBondContact O-CE 3.42Å
35	E	88.2	Confident	69.8	Low	155 Å²	155	100.8 Å²	100.8	72%	0.724	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-85.8	168.4	176.8	-61.9	-171.3	138.3	0	0	112.6	D33 Q37	D33-E35 PolarHBondContact O-N 2.91Å; E35-Q37 PolarHBondContact O-N 3.42Å
36	L	94.9	Very high	72.4	Confident	38 Å²	38	104.5 Å²	104.5	20%	0.199	59%	0.594	C	S	.	*	P	Polyproline II helix	trans	-67.6	121.7	173.6	-177.7	65.5	0	0	0	110.2	I38 G93 Q96 A97 V109 I111 L115	L36-I38 HydrophobicContact CD2-CD1 4.07Å; L36-I38 HydrophobicContact CD2-CG1 4.35Å; L36-I38 HydrophobicContact CG-CD1 4.42Å; L36-I38 HydrophobicContact CG-CG1 4.18Å; L36-G93 WeakPolarHBondContact CD2-O 3Å; L36-Q96 HydrophobicContact CD2-CB 3.61Å; L36-A97 HydrophobicContact CD2-CB 4.4Å; L36-V109 HydrophobicContact CD1-CG1 3.77Å; L36-I111 HydrophobicContact CD1-CB 4.39Å; L36-I111 HydrophobicContact CD1-CG1 3.87Å; L36-L115 HydrophobicContact CB-CD1 3.84Å
37	Q	96.5	Very high	75	Confident	104 Å²	104	101.3 Å²	101.3	49%	0.486	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	175.3	-57.7	-175.3	3.2	0	0	110.3	E35 V109 K110	E35-Q37 PolarHBondContact O-N 3.42Å; Q37-V109 CarbonylContact O-C 3.58Å; Q37-V109 WeakPolarHBondContact O-CA 3.27Å; Q37-K110 HydrophobicContact CB-CB 4.12Å; Q37-K110 HydrophobicContact CB-CD 4.48Å; Q37-K110 HydrophobicContact CB-CG 4.33Å; Q37-K110 PolarHBondContact N-O 3.35Å; Q37-K110 VanDerWaalsContact N-O 3.14Å; Q37-K110 PolarHBondContact O-N 2.79Å
38	I	97	Very high	77.3	Confident	73 Å²	73	100.9 Å²	100.9	37%	0.374	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	113.6	176.9	-56.9	168.3	0	0	0	108.7	L36 A97 R107 V109	L36-I38 HydrophobicContact CD2-CD1 4.07Å; L36-I38 HydrophobicContact CD2-CG1 4.35Å; L36-I38 HydrophobicContact CG-CD1 4.42Å; L36-I38 HydrophobicContact CG-CG1 4.18Å; I38-A97 HydrophobicContact CD1-CB 3.98Å; I38-A97 HydrophobicContact CG1-CB 4.11Å; I38-R107 HydrophobicContact CG2-CG 4.21Å; I38-V109 HydrophobicContact CG1-CG1 4.44Å
39	E	96.9	Very high	80.1	Confident	81 Å²	81	99 Å²	99	38%	0.379	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.8	175.8	174.3	-168.2	124.9	0	0	108.1	R41 R107 F108	E39-R41 HydrophobicContact CG-CG 4.31Å; E39-R41 PolarHBondContact O-N 3.35Å; E39-R41 WeakPolarHBondContact OE1-CG 3.15Å; E39-R41 IonicContact OE1-CZ 2.8Å; E39-R41 IonicContact OE1-NE 2.68Å; E39-R41 PolarHBondContact OE1-NE 3.19Å; E39-R41 IonicContact OE1-NH2 3.7Å; E39-R41 PolarHBondContact OE1-NH2 3.33Å; E39-R107 CarbonylContact O-C 3.59Å; E39-R107 WeakPolarHBondContact O-CA 3.47Å; E39-F108 HydrophobicContact CB-CB 4.21Å; E39-F108 WeakPolarHBondContact CB-O 3.42Å; E39-F108 PolarHBondContact N-O 3.24Å; E39-F108 PolarHBondContact O-N 2.91Å
40	R	96.1	Very high	83	Confident	148 Å²	148	98.2 Å²	98.2	56%	0.558	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	107.7	173.9	-61.6	-174	-178.8	-178.5	-3.2	108.6	V43 E105 R107	R40-V43 HydrophobicContact CB-CG2 3.83Å; R40-V43 HydrophobicContact CG-CG2 4.39Å; R40-E105 WeakPolarHBondContact CD-OE1 3.44Å; R40-E105 WeakPolarHBondContact CG-OE1 3.43Å; R40-E105 IonicContact CZ-OE1 3.48Å; R40-E105 IonicContact NE-OE1 3.96Å; R40-E105 PolarHBondContact NE-OE1 3.04Å; R40-R107 HydrophobicContact CG-CG 4.49Å
41	R	96.3	Very high	85.9	Confident	117 Å²	117	90.4 Å²	90.4	44%	0.442	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-33.6	-178.5	-73.2	-170.4	167.2	161.9	3.3	112.9	E39 R106 F108 D135	E39-R41 HydrophobicContact CG-CG 4.31Å; E39-R41 PolarHBondContact O-N 3.35Å; E39-R41 WeakPolarHBondContact OE1-CG 3.15Å; E39-R41 IonicContact OE1-CZ 2.8Å; E39-R41 IonicContact OE1-NE 2.68Å; E39-R41 PolarHBondContact OE1-NE 3.19Å; E39-R41 IonicContact OE1-NH2 3.7Å; E39-R41 PolarHBondContact OE1-NH2 3.33Å; R41-R106 PolarHBondContact N-O 3.19Å; R41-F108 HydrophobicContact CG-CB 4.14Å; R41-F108 VanDerWaalsContact CZ-CB 3.42Å; R41-D135 IonicContact NH1-OD2 3.31Å; R41-D135 PolarHBondContact NH1-OD2 3.28Å
42	F	96.4	Very high	88.7	Confident	102 Å²	102	95 Å²	95	45%	0.447	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.7	171.9	172.7	-107.7	0	0	0	108.1	N104 E105 R106	F42-N104 WeakPolarHBondContact CD1-O 3.35Å; F42-N104 VanDerWaalsContact CE1-O 3.24Å; F42-N104 WeakPolarHBondContact CE1-O 3.34Å; F42-E105 WeakPolarHBondContact O-CG 3.46Å; F42-R106 HydrophobicContact CB-CB 4.05Å; F42-R106 PolarHBondContact N-O 2.9Å; F42-R106 PolarHBondContact O-N 3.35Å
43	V	94.3	Very high	90.9	Very high	60 Å²	60	93.8 Å²	93.8	36%	0.364	48%	0.475	S	S	.	.			trans	-132.6	131.2	175.6	-174.1	0	0	0	0	105.9	R40 E105	R40-V43 HydrophobicContact CB-CG2 3.83Å; R40-V43 HydrophobicContact CG-CG2 4.39Å; V43-E105 HydrophobicContact CG2-CG 4.23Å
44	P	93.6	Very high	92.8	Very high	23 Å²	23	89.6 Å²	89.6	15%	0.149	46%	0.46	C	S	.	.			trans	-65.9	151.4	175.8	32.8	-40.9	0	0	0	110.8	E46 C102 V103	P44-E46 VanDerWaalsContact C-N 3.25Å; P44-E46 WeakPolarHBondContact CB-O 3.35Å; P44-E46 VanDerWaalsContact CG-O 3.27Å; P44-E46 WeakPolarHBondContact CG-O 3.36Å; P44-E46 PolarHBondContact O-N 2.93Å; P44-C102 HydrophobicContact CG-CB 3.76Å; P44-V103 WeakPolarHBondContact CG-O 3Å
45	D	91.4	Very high	94.1	Very high	174 Å²	174	87.2 Å²	87.2	93%	0.93	44%	0.439	S	S	*	.	S	Bend	trans	-65	-32.5	174.3	-63	-57.7	0	0	0	111.8
46	E	90	Very high	94.5	Very high	165 Å²	165	80.4 Å²	80.4	77%	0.771	41%	0.407	S	S	*	.			trans	-107.9	133.8	174.4	-64.9	-168	-179.6	0	0	111.9	P44	P44-E46 VanDerWaalsContact C-N 3.25Å; P44-E46 WeakPolarHBondContact CB-O 3.35Å; P44-E46 VanDerWaalsContact CG-O 3.27Å; P44-E46 WeakPolarHBondContact CG-O 3.36Å; P44-E46 PolarHBondContact O-N 2.93Å
47	C	91.4	Very high	94.6	Very high	54 Å²	54	78.6 Å²	78.6	37%	0.365	40%	0.398	S	S	.	.			trans	-139.3	79.4	174.7	-177.4	0	0	0	0	110.1	R49 T50 C102	C47-R49 PolarHBondContact O-N 3.13Å; C47-R49 PolarHBondContact SG-O 2.83Å; C47-T50 WeakPolarHBondContact SG-CG2 3.44Å; C47-C102 HydrophobicContact CB-CB 3.77Å; C47-C102 WeakPolarHBondContact CB-SG 3.33Å; C47-C102 WeakPolarHBondContact SG-CB 3.4Å; C47-C102 CovalentContact SG-SG 2.03Å; C47-C102 PolarHBondContact SG-SG 2.87Å
48	P	88.3	Confident	94.5	Very high	132 Å²	132	74.2 Å²	74.2	86%	0.857	38%	0.377	S	S	*	.	S	Bend	trans	-67	-23	-177.4	26.7	-34.8	0	0	0	113
49	R	92.7	Very high	94.5	Very high	55 Å²	55	71 Å²	71	21%	0.208	36%	0.36	C	S	.	.			trans	-146	137.8	176.5	-174.2	-174.3	176.2	160.6	-6	110.4	C47 D55 I141 W142 N143 D146	C47-R49 PolarHBondContact O-N 3.13Å; C47-R49 PolarHBondContact SG-O 2.83Å; R49-D55 IonicContact CZ-OD1 2.69Å; R49-D55 IonicContact NE-OD1 3.54Å; R49-D55 IonicContact NE-OD2 3.96Å; R49-D55 IonicContact NH2-OD1 3.5Å; R49-D55 PolarHBondContact NH2-OD1 3.35Å; R49-D55 IonicContact NH2-OD2 3.78Å; R49-I141 HydrophobicContact CG-CD1 3.71Å; R49-W142 VanDerWaalsContact NH2-C 3.29Å; R49-N143 PolarHBondContact NH2-ND2 2.62Å; R49-D146 IonicContact CZ-OD1 3.58Å; R49-D146 IonicContact CZ-OD2 2.99Å; R49-D146 VanDerWaalsContact NH1-CG 3.32Å; R49-D146 IonicContact NH1-OD1 3.24Å; R49-D146 PolarHBondContact NH1-OD1 3.4Å; R49-D146 IonicContact NH1-OD2 3.24Å; R49-D146 PolarHBondContact NH1-OD2 3.14Å; R49-D146 IonicContact NH2-OD2 3.68Å; R49-D146 PolarHBondContact NH2-OD2 2.89Å
50	T	96.1	Very high	94.5	Very high	53 Å²	53	68.7 Å²	68.7	33%	0.325	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-106.2	146.8	168.1	49.4	0	0	0	0	111	C47 M101	C47-T50 WeakPolarHBondContact SG-CG2 3.44Å; T50-M101 CarbonylContact C-O 3.6Å; T50-M101 WeakPolarHBondContact CA-O 3.37Å
51	V	97.4	Very high	94.6	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.012	33%	0.325	C	S	.	.			trans	-57.3	132.2	175.3	173.8	0	0	0	0	112	V57 V85 L98 G100 M101 L138 I141	V51-V57 HydrophobicContact CB-CG1 4.46Å; V51-V57 HydrophobicContact CG1-CG1 3.92Å; V51-V57 HydrophobicContact CG2-CG1 3.63Å; V51-V85 HydrophobicContact CG1-CB 4.08Å; V51-V85 HydrophobicContact CG1-CG1 4.06Å; V51-V85 HydrophobicContact CG1-CG2 3.78Å; V51-L98 VanDerWaalsContact CB-O 3.22Å; V51-L98 WeakPolarHBondContact CB-O 3.46Å; V51-L98 WeakPolarHBondContact CG1-O 3.47Å; V51-G100 PolarHBondContact O-N 2.71Å; V51-M101 HydrophobicContact CG2-CB 4.19Å; V51-M101 WeakPolarHBondContact CG2-O 3.22Å; V51-M101 PolarHBondContact N-O 3.13Å; V51-L138 HydrophobicContact CG2-CD2 3.52Å; V51-I141 HydrophobicContact CB-CD1 4.23Å; V51-I141 HydrophobicContact CG2-CD1 3.74Å; V51-I141 HydrophobicContact CG2-CG1 4.32Å
52	R	96.3	Very high	94.7	Very high	165 Å²	165	58.7 Å²	58.7	62%	0.623	32%	0.316	S	S	*	.			trans	-122.2	162.4	174.8	-59.3	177.1	-175.4	178.8	1.2	110.7	G54 D55	R52-G54 PolarHBondContact O-N 3.1Å; R52-D55 PolarHBondContact N-OD2 2.79Å; R52-D55 WeakPolarHBondContact O-CB 3.29Å; R52-D55 PolarHBondContact O-N 3.21Å; R52-D55 VanDerWaalsContact O-N 3.16Å
53	S	93.6	Very high	94.7	Very high	90 Å²	90	53.8 Å²	53.8	63%	0.629	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	130	169.2	-173.9	0	0	0	0	109.7
54	G	92.5	Very high	94.9	Very high	32 Å²	32	52.2 Å²	52.2	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-21.2	-173.7	0	0	0	0	0	115	R52 F84 V85	R52-G54 PolarHBondContact O-N 3.1Å; G54-F84 WeakPolarHBondContact O-CD1 3.49Å; G54-V85 PolarHBondContact N-O 2.83Å
55	D	96.6	Very high	95.1	Very high	9 Å²	9	52 Å²	52	5%	0.048	28%	0.282	C	S	.	.			trans	-65.6	142.9	173.5	-73.8	-30.5	0	0	0	110.8	R49 R52 F84 V85 I141	R49-D55 IonicContact CZ-OD1 2.69Å; R49-D55 IonicContact NE-OD1 3.54Å; R49-D55 IonicContact NE-OD2 3.96Å; R49-D55 IonicContact NH2-OD1 3.5Å; R49-D55 PolarHBondContact NH2-OD1 3.35Å; R49-D55 IonicContact NH2-OD2 3.78Å; R52-D55 PolarHBondContact N-OD2 2.79Å; R52-D55 WeakPolarHBondContact O-CB 3.29Å; R52-D55 PolarHBondContact O-N 3.21Å; R52-D55 VanDerWaalsContact O-N 3.16Å; D55-F84 CarbonylContact O-C 3.56Å; D55-F84 WeakPolarHBondContact O-CA 3.39Å; D55-V85 PolarHBondContact O-N 2.87Å; D55-I141 HydrophobicContact CB-CG1 4.3Å
56	F	96	Very high	95.3	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.1	160.7	-173.1	-81.3	0	0	0	109.1	N82 V83 F84 I141 W142 Q241	F56-N82 HydrophobicContact CE1-CB 4.36Å; F56-N82 HydrophobicContact CZ-CB 3.75Å; F56-V83 CarbonylContact C-O 3.47Å; F56-V83 WeakPolarHBondContact CA-O 3.42Å; F56-F84 HydrophobicContact CB-CD1 3.88Å; F56-F84 HydrophobicContact CB-CE1 3.76Å; F56-F84 HydrophobicContact CB-CZ 4.42Å; F56-F84 HydrophobicContact CD2-CD1 4.27Å; F56-F84 HydrophobicContact CD2-CD2 4.25Å; F56-F84 HydrophobicContact CD2-CE1 4.05Å; F56-F84 HydrophobicContact CD2-CE2 4.01Å; F56-F84 HydrophobicContact CD2-CG 4.38Å; F56-F84 AromaticContact CD2-CZ 3.9Å; F56-F84 HydrophobicContact CD2-CZ 3.9Å; F56-F84 HydrophobicContact CG-CE1 4.43Å; F56-I141 WeakPolarHBondContact O-CA 3.33Å; F56-W142 HydrophobicContact CB-CD2 3.91Å; F56-W142 HydrophobicContact CB-CE3 4.31Å; F56-W142 HydrophobicContact CB-CG 4.44Å; F56-W142 HydrophobicContact CB-CH2 4.16Å; F56-W142 HydrophobicContact CB-CZ2 3.74Å; F56-W142 HydrophobicContact CB-CZ3 4.43Å; F56-W142 AromaticContact CD1-CD1 3.96Å; F56-W142 HydrophobicContact CD1-CD2 4.39Å; F56-W142 AromaticContact CD1-CE2 3.41Å; F56-W142 VanDerWaalsContact CD1-CE2 3.41Å; F56-W142 AromaticContact CD1-CZ2 3.61Å; F56-W142 HydrophobicContact CD1-CZ2 3.61Å; F56-W142 AromaticContact CD1-NE1 3.1Å; F56-W142 HydrophobicContact CD2-CH2 4.18Å; F56-W142 AromaticContact CD2-CZ2 3.65Å; F56-W142 HydrophobicContact CD2-CZ2 3.65Å; F56-W142 HydrophobicContact CE1-CZ2 4.02Å; F56-W142 AromaticContact CE1-NE1 3.62Å; F56-W142 HydrophobicContact CE2-CZ2 4.05Å; F56-W142 HydrophobicContact CG-CD2 4.32Å; F56-W142 AromaticContact CG-CE2 3.51Å; F56-W142 HydrophobicContact CG-CH2 4.13Å; F56-W142 AromaticContact CG-CZ2 3.39Å; F56-W142 HydrophobicContact CG-CZ2 3.39Å; F56-W142 AromaticContact CG-NE1 3.72Å; F56-W142 HydrophobicContact CZ-CZ2 4.2Å; F56-W142 PolarHBondContact N-O 3.09Å; F56-W142 PolarHBondContact O-N 2.71Å; F56-W142 VanDerWaalsContact O-N 3.11Å; F56-Q241 HydrophobicContact CE1-CB 3.69Å; F56-Q241 HydrophobicContact CE1-CG 4.2Å; F56-Q241 HydrophobicContact CE2-CG 4.44Å; F56-Q241 HydrophobicContact CZ-CB 3.71Å; F56-Q241 HydrophobicContact CZ-CG 3.68Å
57	V	96.8	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.8	175.1	-65.1	0	0	0	0	111.7	V51 Y59 N82 V83 V85 L98 L138 D140	V51-V57 HydrophobicContact CB-CG1 4.46Å; V51-V57 HydrophobicContact CG1-CG1 3.92Å; V51-V57 HydrophobicContact CG2-CG1 3.63Å; V57-Y59 HydrophobicContact CG2-CD1 3.89Å; V57-Y59 HydrophobicContact CG2-CE1 4.12Å; V57-N82 WeakPolarHBondContact O-CA 3.45Å; V57-V83 HydrophobicContact CG2-CG1 3.72Å; V57-V83 PolarHBondContact N-O 3.07Å; V57-V83 PolarHBondContact O-N 2.86Å; V57-V83 VanDerWaalsContact O-N 3.1Å; V57-V85 HydrophobicContact CB-CG2 4.21Å; V57-V85 HydrophobicContact CG1-CG2 3.7Å; V57-V85 HydrophobicContact CG2-CG2 3.43Å; V57-V85 VanDerWaalsContact CG2-CG2 3.43Å; V57-L98 HydrophobicContact CG2-CD1 4.31Å; V57-L138 HydrophobicContact CB-CD1 3.79Å; V57-L138 HydrophobicContact CG1-CD1 4.02Å; V57-D140 WeakPolarHBondContact CA-O 3.36Å
58	R	95.8	Very high	95.6	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.045	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.5	170	-173.6	167.6	63.5	96.2	-0.4	107.8	T80 F81 N82 M139 D140	R58-T80 WeakPolarHBondContact CD-OG1 3.29Å; R58-T80 HydrophobicContact CG-CG2 3.77Å; R58-T80 VanDerWaalsContact CG-OG1 3.23Å; R58-T80 WeakPolarHBondContact CG-OG1 3.42Å; R58-F81 WeakPolarHBondContact CA-O 3.44Å; R58-N82 WeakPolarHBondContact CG-OD1 3.47Å; R58-M139 HydrophobicContact CG-CB 4.48Å; R58-M139 WeakPolarHBondContact O-CA 3.44Å; R58-M139 WeakPolarHBondContact O-CB 3.5Å; R58-M139 PolarHBondContact O-N 2.72Å; R58-D140 HydrophobicContact CB-CB 3.48Å; R58-D140 VanDerWaalsContact CB-CB 3.48Å; R58-D140 HydrophobicContact CG-CB 4.37Å; R58-D140 IonicContact CZ-OD2 3.42Å; R58-D140 PolarHBondContact N-O 2.71Å; R58-D140 IonicContact NE-OD2 2.83Å; R58-D140 PolarHBondContact NE-OD2 2.79Å; R58-D140 IonicContact NH2-OD2 3.27Å; R58-D140 PolarHBondContact NH2-OD2 3.11Å; R58-D140 PolarHBondContact O-N 2.99Å
59	Y	96.7	Very high	96	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.3	-177.6	66.1	-93.6	0	0	0	113.1	V57 Y61 F81 V83 L90 M94 L98 V136 L137	V57-Y59 HydrophobicContact CG2-CD1 3.89Å; V57-Y59 HydrophobicContact CG2-CE1 4.12Å; Y59-Y61 HydrophobicContact CD2-CD1 4.01Å; Y59-Y61 AromaticContact CE2-CD1 3.53Å; Y59-Y61 HydrophobicContact CE2-CD1 3.53Å; Y59-Y61 HydrophobicContact CE2-CE1 4.3Å; Y59-Y61 HydrophobicContact CE2-CG 4.18Å; Y59-F81 HydrophobicContact CD1-CB 4.47Å; Y59-F81 HydrophobicContact CD2-CB 4.23Å; Y59-F81 HydrophobicContact CE1-CB 4.14Å; Y59-F81 AromaticContact CE1-CD1 3.84Å; Y59-F81 HydrophobicContact CE1-CD1 3.84Å; Y59-F81 HydrophobicContact CE1-CG 4.41Å; Y59-F81 HydrophobicContact CE2-CB 3.85Å; Y59-F81 HydrophobicContact CE2-CD1 4.47Å; Y59-F81 HydrophobicContact CE2-CG 4.38Å; Y59-F81 AromaticContact CZ-CD1 3.63Å; Y59-F81 AromaticContact CZ-CG 3.97Å; Y59-F81 PolarHBondContact N-O 2.79Å; Y59-F81 PolarHBondContact O-N 2.94Å; Y59-F81 VanDerWaalsContact OH-CD1 3.29Å; Y59-F81 WeakPolarHBondContact OH-CD1 3.39Å; Y59-V83 HydrophobicContact CE1-CG1 3.88Å; Y59-L90 WeakPolarHBondContact OH-CD2 3.48Å; Y59-M94 HydrophobicContact CD2-CE 4.26Å; Y59-M94 HydrophobicContact CE2-CE 3.39Å; Y59-L98 HydrophobicContact CD1-CD1 4.2Å; Y59-L98 HydrophobicContact CD1-CD2 4.02Å; Y59-L98 HydrophobicContact CE1-CD1 3.61Å; Y59-L98 HydrophobicContact CE1-CD2 4.18Å; Y59-L98 HydrophobicContact CG-CD2 4.31Å; Y59-V136 HydrophobicContact CD2-CG1 3.83Å; Y59-V136 HydrophobicContact CE2-CG1 4.4Å; Y59-V136 HydrophobicContact CG-CG1 4.33Å; Y59-L137 CarbonylContact C-O 3.59Å; Y59-L137 VanDerWaalsContact CA-O 3.3Å; Y59-L137 WeakPolarHBondContact CA-O 3.44Å; Y59-L137 VanDerWaalsContact CB-O 3.28Å; Y59-L137 WeakPolarHBondContact CB-O 3.46Å
60	H	97.2	Very high	96.2	Very high	34 Å²	34	47.5 Å²	47.5	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149.9	165	-78.1	-58.2	0	0	0	110.8	S74 Y75 T80 V136 L137	H60-S74 VanDerWaalsContact CA-OG 3.26Å; H60-S74 WeakPolarHBondContact CA-OG 3.28Å; H60-S74 WeakPolarHBondContact CB-OG 3.24Å; H60-S74 PolarHBondContact ND1-OG 2.81Å; H60-Y75 HydrophobicContact CB-CE1 4.01Å; H60-Y75 HydrophobicContact CB-CE2 3.82Å; H60-Y75 VanDerWaalsContact CB-CZ 3.48Å; H60-Y75 WeakPolarHBondContact CB-OH 3.48Å; H60-Y75 AromaticContact CD2-CE1 3.91Å; H60-Y75 AromaticContact CG-CE1 3.78Å; H60-Y75 AromaticContact CG-CZ 3.8Å; H60-T80 VanDerWaalsContact CE1-CG2 3.44Å; H60-T80 WeakPolarHBondContact CE1-CG2 3.03Å; H60-V136 WeakPolarHBondContact O-CA 3.23Å; H60-L137 PolarHBondContact N-O 2.94Å; H60-L137 PolarHBondContact O-N 2.8Å
61	Y	97.3	Very high	96.2	Very high	14 Å²	14	46.8 Å²	46.8	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159	173.8	70.5	-86.6	0	0	0	113.8	Y59 D72 S73 S74 R77 F81 F134 D135	Y59-Y61 HydrophobicContact CD2-CD1 4.01Å; Y59-Y61 AromaticContact CE2-CD1 3.53Å; Y59-Y61 HydrophobicContact CE2-CD1 3.53Å; Y59-Y61 HydrophobicContact CE2-CE1 4.3Å; Y59-Y61 HydrophobicContact CE2-CG 4.18Å; Y61-D72 HydrophobicContact CE2-CB 4.33Å; Y61-D72 WeakPolarHBondContact CE2-OD2 3.24Å; Y61-D72 PolarHBondContact OH-OD2 2.79Å; Y61-S73 WeakPolarHBondContact O-CA 3.13Å; Y61-S74 PolarHBondContact N-OG 3.29Å; Y61-S74 PolarHBondContact O-N 3.04Å; Y61-S74 PolarHBondContact O-OG 2.85Å; Y61-R77 PolarHBondContact OH-NH1 2.72Å; Y61-R77 PolarHBondContact OH-NH2 3.02Å; Y61-F81 HydrophobicContact CD1-CB 4.1Å; Y61-F81 HydrophobicContact CE1-CB 3.8Å; Y61-F81 AromaticContact CE1-CD2 3.82Å; Y61-F81 HydrophobicContact CE1-CD2 3.82Å; Y61-F81 HydrophobicContact CE1-CG 4.03Å; Y61-F134 AromaticContact CD2-CD1 3.76Å; Y61-F134 HydrophobicContact CD2-CD1 3.76Å; Y61-F134 AromaticContact CD2-CE1 3.85Å; Y61-F134 HydrophobicContact CD2-CE1 3.85Å; Y61-F134 HydrophobicContact CE2-CD1 4.45Å; Y61-F134 HydrophobicContact CE2-CE1 4.08Å; Y61-F134 HydrophobicContact CG-CD1 4.37Å; Y61-D135 CarbonylContact C-O 3.51Å; Y61-D135 WeakPolarHBondContact CA-O 3.23Å
62	V	97.9	Very high	96	Very high	40 Å²	40	49.1 Å²	49.1	24%	0.242	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.3	164.5	-177.4	0	0	0	0	108.5	T64 K70 Y75 F134 D135	V62-T64 HydrophobicContact CG1-CG2 4.18Å; V62-K70 HydrophobicContact CG1-CD 3.8Å; V62-K70 HydrophobicContact CG1-CG 4.04Å; V62-Y75 HydrophobicContact CG2-CD2 3.76Å; V62-Y75 HydrophobicContact CG2-CE2 3.94Å; V62-F134 WeakPolarHBondContact O-CA 3.19Å; V62-D135 PolarHBondContact N-O 3.1Å; V62-D135 PolarHBondContact O-N 2.81Å
63	G	97.4	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.5	179.1	0	0	0	0	0	111.9	K70 F71 D72	G63-K70 WeakPolarHBondContact O-CA 3.47Å; G63-K70 WeakPolarHBondContact O-CG 3.36Å; G63-F71 PolarHBondContact O-N 3.12Å; G63-D72 PolarHBondContact N-O 2.96Å; G63-D72 PolarHBondContact O-N 3.02Å
64	T	97.9	Very high	96.2	Very high	26 Å²	26	37.1 Å²	37.1	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.2	-175.7	51.6	0	0	0	0	112.1	V62 Q69 K70 F71 H133	V62-T64 HydrophobicContact CG1-CG2 4.18Å; T64-Q69 CarbonylContact C-O 3.59Å; T64-Q69 VanDerWaalsContact CA-O 3.28Å; T64-Q69 WeakPolarHBondContact CA-O 3.41Å; T64-K70 HydrophobicContact CG2-CB 4.2Å; T64-K70 HydrophobicContact CG2-CG 4.49Å; T64-F71 VanDerWaalsContact N-CE1 3.29Å; T64-F71 WeakPolarHBondContact O-CE1 3.24Å; T64-H133 PolarHBondContact N-O 3.07Å; T64-H133 WeakPolarHBondContact O-CB 3.48Å; T64-H133 PolarHBondContact O-N 3.07Å; T64-H133 WeakPolarHBondContact OG1-CB 3.21Å; T64-H133 PolarHBondContact OG1-O 3.29Å; T64-H133 VanDerWaalsContact OG1-O 3.12Å
65	F	97.1	Very high	96.2	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.088	21%	0.213	C	C	.	.			trans	-81.2	168.7	165.9	-64.6	-59.7	0	0	0	111.3	D67 G68 Q69 F71 I126 L132	F65-D67 WeakPolarHBondContact CB-OD1 3.19Å; F65-D67 PolarHBondContact O-N 2.8Å; F65-D67 VanDerWaalsContact O-N 3.13Å; F65-G68 PolarHBondContact O-N 2.88Å; F65-Q69 HydrophobicContact CD2-CB 4.12Å; F65-Q69 HydrophobicContact CD2-CG 4.19Å; F65-Q69 PolarHBondContact N-O 3.03Å; F65-F71 HydrophobicContact CD1-CD1 4.14Å; F65-F71 HydrophobicContact CD1-CE1 4.5Å; F65-F71 HydrophobicContact CD2-CD1 4.21Å; F65-F71 AromaticContact CE1-CD1 3.91Å; F65-F71 HydrophobicContact CE1-CD1 3.91Å; F65-F71 HydrophobicContact CE1-CE1 4.4Å; F65-F71 HydrophobicContact CE2-CB 3.81Å; F65-F71 AromaticContact CE2-CD1 4Å; F65-F71 HydrophobicContact CE2-CD1 4Å; F65-F71 HydrophobicContact CE2-CG 4.32Å; F65-F71 HydrophobicContact CG-CD1 4.27Å; F65-F71 HydrophobicContact CZ-CB 3.97Å; F65-F71 AromaticContact CZ-CD1 3.82Å; F65-F71 HydrophobicContact CZ-CD1 3.82Å; F65-F71 HydrophobicContact CZ-CG 4.16Å; F65-I126 HydrophobicContact CE1-CG2 4.34Å; F65-I126 HydrophobicContact CZ-CG1 4.4Å; F65-L132 HydrophobicContact CD1-CD2 4.11Å; F65-L132 HydrophobicContact CE1-CD2 3.79Å
66	P	96	Very high	96.1	Very high	83 Å²	83	44.6 Å²	44.6	54%	0.539	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	-178.2	-25.5	36.6	0	0	0	116.1	V131	P66-V131 HydrophobicContact CG-CB 4.03Å; P66-V131 HydrophobicContact CG-CG1 4.2Å
67	D	94.3	Very high	95.8	Very high	127 Å²	127	49 Å²	49	68%	0.679	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-4.8	171.8	62.3	1.2	0	0	0	113.6	F65 Q69	F65-D67 WeakPolarHBondContact CB-OD1 3.19Å; F65-D67 PolarHBondContact O-N 2.8Å; F65-D67 VanDerWaalsContact O-N 3.13Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.17Å; D67-Q69 PolarHBondContact OD1-N 3.39Å
68	G	94	Very high	95.4	Very high	53 Å²	53	56.5 Å²	56.5	55%	0.546	29%	0.293	S	S	.	.			trans	90.7	-0.5	-176.6	0	0	0	0	0	115	F65 K70	F65-G68 PolarHBondContact O-N 2.88Å; G68-K70 PolarHBondContact O-N 3.47Å
69	Q	96.3	Very high	95	Very high	123 Å²	123	58.5 Å²	58.5	58%	0.575	31%	0.308	S	S	*	.			trans	-65.4	118.3	175.2	176.5	174.3	73.8	0	0	110.3	T64 F65 D67	T64-Q69 CarbonylContact C-O 3.59Å; T64-Q69 VanDerWaalsContact CA-O 3.28Å; T64-Q69 WeakPolarHBondContact CA-O 3.41Å; F65-Q69 HydrophobicContact CD2-CB 4.12Å; F65-Q69 HydrophobicContact CD2-CG 4.19Å; F65-Q69 PolarHBondContact N-O 3.03Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.17Å; D67-Q69 PolarHBondContact OD1-N 3.39Å
70	K	97.1	Very high	94.8	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.9	175.5	-170	177.7	71.5	175.9	0	110.5	V62 G63 T64 G68 D76	V62-K70 HydrophobicContact CG1-CD 3.8Å; V62-K70 HydrophobicContact CG1-CG 4.04Å; G63-K70 WeakPolarHBondContact O-CA 3.47Å; G63-K70 WeakPolarHBondContact O-CG 3.36Å; T64-K70 HydrophobicContact CG2-CB 4.2Å; T64-K70 HydrophobicContact CG2-CG 4.49Å; G68-K70 PolarHBondContact O-N 3.47Å; K70-D76 VanDerWaalsContact CE-OD2 3.29Å; K70-D76 WeakPolarHBondContact CE-OD2 3.47Å; K70-D76 IonicContact NZ-OD1 3.52Å; K70-D76 PolarHBondContact NZ-OD1 2.99Å; K70-D76 IonicContact NZ-OD2 3.85Å; K70-D76 PolarHBondContact NZ-OD2 2.84Å
71	F	95.4	Very high	94.7	Very high	38 Å²	38	60.9 Å²	60.9	17%	0.167	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-27.1	173.3	62.6	-102.5	0	0	0	112.8	G63 T64 F65 V125 I126 L132 F134	G63-F71 PolarHBondContact O-N 3.12Å; T64-F71 VanDerWaalsContact N-CE1 3.29Å; T64-F71 WeakPolarHBondContact O-CE1 3.24Å; F65-F71 HydrophobicContact CD1-CD1 4.14Å; F65-F71 HydrophobicContact CD1-CE1 4.5Å; F65-F71 HydrophobicContact CD2-CD1 4.21Å; F65-F71 AromaticContact CE1-CD1 3.91Å; F65-F71 HydrophobicContact CE1-CD1 3.91Å; F65-F71 HydrophobicContact CE1-CE1 4.4Å; F65-F71 HydrophobicContact CE2-CB 3.81Å; F65-F71 AromaticContact CE2-CD1 4Å; F65-F71 HydrophobicContact CE2-CD1 4Å; F65-F71 HydrophobicContact CE2-CG 4.32Å; F65-F71 HydrophobicContact CG-CD1 4.27Å; F65-F71 HydrophobicContact CZ-CB 3.97Å; F65-F71 AromaticContact CZ-CD1 3.82Å; F65-F71 HydrophobicContact CZ-CD1 3.82Å; F65-F71 HydrophobicContact CZ-CG 4.16Å; F71-V125 HydrophobicContact CB-CG1 4.37Å; F71-I126 HydrophobicContact CD2-CD1 4.08Å; F71-I126 HydrophobicContact CD2-CG1 4.31Å; F71-I126 HydrophobicContact CE2-CD1 4.03Å; F71-I126 HydrophobicContact CG-CG1 4.5Å; F71-L132 HydrophobicContact CD1-CD2 4.47Å; F71-L132 HydrophobicContact CE1-CB 4.27Å; F71-L132 HydrophobicContact CE1-CD2 3.74Å; F71-L132 HydrophobicContact CE1-CG 4.43Å; F71-L132 HydrophobicContact CZ-CB 4.22Å; F71-L132 HydrophobicContact CZ-CD1 4.15Å; F71-L132 HydrophobicContact CZ-CD2 4.01Å; F71-L132 HydrophobicContact CZ-CG 4.35Å; F71-F134 HydrophobicContact CE2-CE1 4.25Å; F71-F134 HydrophobicContact CE2-CZ 4.03Å; F71-F134 HydrophobicContact CZ-CE1 4.04Å; F71-F134 HydrophobicContact CZ-CE2 4.16Å; F71-F134 AromaticContact CZ-CZ 3.66Å; F71-F134 HydrophobicContact CZ-CZ 3.66Å
72	D	94.4	Very high	94.5	Very high	52 Å²	52	63.3 Å²	63.3	28%	0.278	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	162.1	177.1	-168.6	27.7	0	0	0	112.4	Y61 G63 R77	Y61-D72 HydrophobicContact CE2-CB 4.33Å; Y61-D72 WeakPolarHBondContact CE2-OD2 3.24Å; Y61-D72 PolarHBondContact OH-OD2 2.79Å; G63-D72 PolarHBondContact N-O 2.96Å; G63-D72 PolarHBondContact O-N 3.02Å; D72-R77 IonicContact OD1-CZ 3.39Å; D72-R77 IonicContact OD1-NH1 3.67Å; D72-R77 PolarHBondContact OD1-NH1 3.33Å; D72-R77 IonicContact OD2-CZ 3.47Å; D72-R77 IonicContact OD2-NH1 3.96Å; D72-R77 PolarHBondContact OD2-NH1 3.1Å
73	S	96.3	Very high	94.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	141.1	177.8	152.4	0	0	0	0	111.5	Y61 Y75 D76	Y61-S73 WeakPolarHBondContact O-CA 3.13Å; S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact OG-N 2.81Å; S73-Y75 VanDerWaalsContact OG-N 3.09Å; S73-D76 WeakPolarHBondContact CB-OD1 3.25Å; S73-D76 PolarHBondContact OG-N 3.5Å; S73-D76 VanDerWaalsContact OG-N 3.17Å; S73-D76 PolarHBondContact OG-OD1 2.93Å
74	S	96.3	Very high	94.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-68.6	-34	171.7	60.9	0	0	0	0	112.4	H60 Y61 D76 R77 D78 S79	H60-S74 VanDerWaalsContact CA-OG 3.26Å; H60-S74 WeakPolarHBondContact CA-OG 3.28Å; H60-S74 WeakPolarHBondContact CB-OG 3.24Å; H60-S74 PolarHBondContact ND1-OG 2.81Å; Y61-S74 PolarHBondContact N-OG 3.29Å; Y61-S74 PolarHBondContact O-N 3.04Å; Y61-S74 PolarHBondContact O-OG 2.85Å; S74-D76 VanDerWaalsContact C-N 3.27Å; S74-D76 PolarHBondContact O-N 2.85Å; S74-R77 PolarHBondContact O-N 3.39Å; S74-D78 PolarHBondContact O-N 2.87Å; S74-S79 CarbonylContact C-O 3.48Å; S74-S79 VanDerWaalsContact CB-O 3.27Å; S74-S79 WeakPolarHBondContact CB-O 3.44Å; S74-S79 PolarHBondContact O-N 3.44Å; S74-S79 VanDerWaalsContact O-O 3.06Å
75	Y	94	Very high	94.1	Very high	98 Å²	98	63 Å²	63	38%	0.384	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-70.4	-25.7	-179.3	-57.7	-82.6	0	0	0	111.9	H60 V62 S73 R77 D78	H60-Y75 HydrophobicContact CB-CE1 4.01Å; H60-Y75 HydrophobicContact CB-CE2 3.82Å; H60-Y75 VanDerWaalsContact CB-CZ 3.48Å; H60-Y75 WeakPolarHBondContact CB-OH 3.48Å; H60-Y75 AromaticContact CD2-CE1 3.91Å; H60-Y75 AromaticContact CG-CE1 3.78Å; H60-Y75 AromaticContact CG-CZ 3.8Å; V62-Y75 HydrophobicContact CG2-CD2 3.76Å; V62-Y75 HydrophobicContact CG2-CE2 3.94Å; S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact OG-N 2.81Å; S73-Y75 VanDerWaalsContact OG-N 3.09Å; Y75-R77 PolarHBondContact O-N 2.8Å; Y75-D78 PolarHBondContact O-N 2.89Å
76	D	93.8	Very high	93.7	Very high	100 Å²	100	63.9 Å²	63.9	54%	0.535	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-73.1	-6.2	175.5	-71	51.7	0	0	0	112.8	K70 S73 S74	K70-D76 VanDerWaalsContact CE-OD2 3.29Å; K70-D76 WeakPolarHBondContact CE-OD2 3.47Å; K70-D76 IonicContact NZ-OD1 3.52Å; K70-D76 PolarHBondContact NZ-OD1 2.99Å; K70-D76 IonicContact NZ-OD2 3.85Å; K70-D76 PolarHBondContact NZ-OD2 2.84Å; S73-D76 WeakPolarHBondContact CB-OD1 3.25Å; S73-D76 PolarHBondContact OG-N 3.5Å; S73-D76 VanDerWaalsContact OG-N 3.17Å; S73-D76 PolarHBondContact OG-OD1 2.93Å; S74-D76 VanDerWaalsContact C-N 3.27Å; S74-D76 PolarHBondContact O-N 2.85Å
77	R	90.9	Very high	93.4	Very high	104 Å²	104	65.4 Å²	65.4	39%	0.392	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-122.7	8.2	-179.1	-56.5	-173.6	-62.2	-111.6	2.3	112.8	Y61 D72 S74 Y75 S79	Y61-R77 PolarHBondContact OH-NH1 2.72Å; Y61-R77 PolarHBondContact OH-NH2 3.02Å; D72-R77 IonicContact OD1-CZ 3.39Å; D72-R77 IonicContact OD1-NH1 3.67Å; D72-R77 PolarHBondContact OD1-NH1 3.33Å; D72-R77 IonicContact OD2-CZ 3.47Å; D72-R77 IonicContact OD2-NH1 3.96Å; D72-R77 PolarHBondContact OD2-NH1 3.1Å; S74-R77 PolarHBondContact O-N 3.39Å; Y75-R77 PolarHBondContact O-N 2.8Å; R77-S79 WeakPolarHBondContact CB-OG 3.12Å; R77-S79 WeakPolarHBondContact O-CB 3.41Å; R77-S79 PolarHBondContact O-N 3.49Å; R77-S79 PolarHBondContact O-OG 2.87Å
78	D	86.4	Confident	93.1	Very high	159 Å²	159	62.4 Å²	62.4	85%	0.85	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	32.3	-174	-62.7	-44.9	0	0	0	114.2	S74 Y75	S74-D78 PolarHBondContact O-N 2.87Å; Y75-D78 PolarHBondContact O-N 2.89Å
79	S	88.8	Confident	92.9	Very high	53 Å²	53	65.2 Å²	65.2	37%	0.371	34%	0.339	S	S	.	.			trans	-149.5	139.5	-170.5	45.9	0	0	0	0	112.6	S74 R77	S74-S79 CarbonylContact C-O 3.48Å; S74-S79 VanDerWaalsContact CB-O 3.27Å; S74-S79 WeakPolarHBondContact CB-O 3.44Å; S74-S79 PolarHBondContact O-N 3.44Å; S74-S79 VanDerWaalsContact O-O 3.06Å; R77-S79 WeakPolarHBondContact CB-OG 3.12Å; R77-S79 WeakPolarHBondContact O-CB 3.41Å; R77-S79 PolarHBondContact O-N 3.49Å; R77-S79 PolarHBondContact O-OG 2.87Å
80	T	91.9	Very high	92.7	Very high	26 Å²	26	60.7 Å²	60.7	16%	0.16	32%	0.318	C	S	.	.			trans	-71.1	160.1	175.6	48.6	0	0	0	0	112	R58 H60 N82 M139	R58-T80 WeakPolarHBondContact CD-OG1 3.29Å; R58-T80 HydrophobicContact CG-CG2 3.77Å; R58-T80 VanDerWaalsContact CG-OG1 3.23Å; R58-T80 WeakPolarHBondContact CG-OG1 3.42Å; H60-T80 VanDerWaalsContact CE1-CG2 3.44Å; H60-T80 WeakPolarHBondContact CE1-CG2 3.03Å; T80-N82 WeakPolarHBondContact CB-OD1 3.37Å; T80-N82 PolarHBondContact O-OD1 3.34Å; T80-N82 PolarHBondContact OG1-OD1 2.99Å; T80-M139 HydrophobicContact CG2-CG 4.24Å
81	F	94.1	Very high	92.6	Very high	63 Å²	63	57.2 Å²	57.2	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.7	164.8	-155.2	-89.9	0	0	0	110	R58 Y59 Y61 V83 L90	R58-F81 WeakPolarHBondContact CA-O 3.44Å; Y59-F81 HydrophobicContact CD1-CB 4.47Å; Y59-F81 HydrophobicContact CD2-CB 4.23Å; Y59-F81 HydrophobicContact CE1-CB 4.14Å; Y59-F81 AromaticContact CE1-CD1 3.84Å; Y59-F81 HydrophobicContact CE1-CD1 3.84Å; Y59-F81 HydrophobicContact CE1-CG 4.41Å; Y59-F81 HydrophobicContact CE2-CB 3.85Å; Y59-F81 HydrophobicContact CE2-CD1 4.47Å; Y59-F81 HydrophobicContact CE2-CG 4.38Å; Y59-F81 AromaticContact CZ-CD1 3.63Å; Y59-F81 AromaticContact CZ-CG 3.97Å; Y59-F81 PolarHBondContact N-O 2.79Å; Y59-F81 PolarHBondContact O-N 2.94Å; Y59-F81 VanDerWaalsContact OH-CD1 3.29Å; Y59-F81 WeakPolarHBondContact OH-CD1 3.39Å; Y61-F81 HydrophobicContact CD1-CB 4.1Å; Y61-F81 HydrophobicContact CE1-CB 3.8Å; Y61-F81 AromaticContact CE1-CD2 3.82Å; Y61-F81 HydrophobicContact CE1-CD2 3.82Å; Y61-F81 HydrophobicContact CE1-CG 4.03Å; F81-V83 HydrophobicContact CD1-CB 4.1Å; F81-V83 HydrophobicContact CD1-CG1 4.05Å; F81-V83 HydrophobicContact CE1-CB 3.86Å; F81-V83 HydrophobicContact CE1-CG1 4.14Å; F81-V83 HydrophobicContact CE1-CG2 4.25Å; F81-L90 HydrophobicContact CD1-CD2 4.25Å; F81-L90 HydrophobicContact CE1-CD2 3.56Å; F81-L90 HydrophobicContact CZ-CD2 4.2Å
82	N	93.8	Very high	92.5	Very high	64 Å²	64	59 Å²	59	34%	0.342	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.1	-165	-73.3	25.6	0	0	0	108.1	F56 V57 R58 T80	F56-N82 HydrophobicContact CE1-CB 4.36Å; F56-N82 HydrophobicContact CZ-CB 3.75Å; V57-N82 WeakPolarHBondContact O-CA 3.45Å; R58-N82 WeakPolarHBondContact CG-OD1 3.47Å; T80-N82 WeakPolarHBondContact CB-OD1 3.37Å; T80-N82 PolarHBondContact O-OD1 3.34Å; T80-N82 PolarHBondContact OG1-OD1 2.99Å
83	V	94.5	Very high	92.6	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	157.5	-168.2	70.3	0	0	0	0	113.2	F56 V57 Y59 F81 Q89 L90	F56-V83 CarbonylContact C-O 3.47Å; F56-V83 WeakPolarHBondContact CA-O 3.42Å; V57-V83 HydrophobicContact CG2-CG1 3.72Å; V57-V83 PolarHBondContact N-O 3.07Å; V57-V83 PolarHBondContact O-N 2.86Å; V57-V83 VanDerWaalsContact O-N 3.1Å; Y59-V83 HydrophobicContact CE1-CG1 3.88Å; F81-V83 HydrophobicContact CD1-CB 4.1Å; F81-V83 HydrophobicContact CD1-CG1 4.05Å; F81-V83 HydrophobicContact CE1-CB 3.86Å; F81-V83 HydrophobicContact CE1-CG1 4.14Å; F81-V83 HydrophobicContact CE1-CG2 4.25Å; V83-Q89 HydrophobicContact CG2-CB 3.48Å; V83-Q89 VanDerWaalsContact CG2-CB 3.48Å; V83-Q89 HydrophobicContact CG2-CG 4.36Å; V83-L90 HydrophobicContact CG1-CD1 4.01Å; V83-L90 HydrophobicContact CG1-CD2 4.29Å; V83-L90 HydrophobicContact CG1-CG 4.24Å; V83-L90 HydrophobicContact CG2-CD2 4.29Å; V83-L90 HydrophobicContact CG2-CG 4.1Å
84	F	94.5	Very high	92.6	Very high	54 Å²	54	56.6 Å²	56.6	24%	0.237	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.2	168.2	-69.9	-81.3	0	0	0	111.6	G54 D55 F56 K87 Q89	G54-F84 WeakPolarHBondContact O-CD1 3.49Å; D55-F84 CarbonylContact O-C 3.56Å; D55-F84 WeakPolarHBondContact O-CA 3.39Å; F56-F84 HydrophobicContact CB-CD1 3.88Å; F56-F84 HydrophobicContact CB-CE1 3.76Å; F56-F84 HydrophobicContact CB-CZ 4.42Å; F56-F84 HydrophobicContact CD2-CD1 4.27Å; F56-F84 HydrophobicContact CD2-CD2 4.25Å; F56-F84 HydrophobicContact CD2-CE1 4.05Å; F56-F84 HydrophobicContact CD2-CE2 4.01Å; F56-F84 HydrophobicContact CD2-CG 4.38Å; F56-F84 AromaticContact CD2-CZ 3.9Å; F56-F84 HydrophobicContact CD2-CZ 3.9Å; F56-F84 HydrophobicContact CG-CE1 4.43Å; F84-K87 HydrophobicContact CB-CB 4.35Å; F84-K87 HydrophobicContact CB-CD 3.49Å; F84-K87 VanDerWaalsContact CB-CD 3.49Å; F84-K87 HydrophobicContact CB-CG 3.88Å; F84-K87 HydrophobicContact CD2-CD 4.41Å; F84-K87 HydrophobicContact CG-CD 3.98Å; F84-Q89 VanDerWaalsContact N-OE1 3.09Å
85	V	95.2	Very high	92.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	137.5	-177.5	-176.9	0	0	0	0	110.9	V51 G54 D55 V57 K87 L98 V99	V51-V85 HydrophobicContact CG1-CB 4.08Å; V51-V85 HydrophobicContact CG1-CG1 4.06Å; V51-V85 HydrophobicContact CG1-CG2 3.78Å; G54-V85 PolarHBondContact N-O 2.83Å; D55-V85 PolarHBondContact O-N 2.87Å; V57-V85 HydrophobicContact CB-CG2 4.21Å; V57-V85 HydrophobicContact CG1-CG2 3.7Å; V57-V85 HydrophobicContact CG2-CG2 3.43Å; V57-V85 VanDerWaalsContact CG2-CG2 3.43Å; V85-K87 VanDerWaalsContact C-N 3.27Å; V85-K87 PolarHBondContact O-N 2.8Å; V85-L98 HydrophobicContact CG1-CB 4.31Å; V85-L98 HydrophobicContact CG2-CB 4.18Å; V85-L98 HydrophobicContact CG2-CD1 4.25Å; V85-V99 HydrophobicContact CG1-CG2 3.73Å
86	G	89.3	Confident	92.6	Very high	38 Å²	38	57.3 Å²	57.3	39%	0.392	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	6.6	177.2	0	0	0	0	0	114.8	D95	G86-D95 WeakPolarHBondContact CA-OD2 3.01Å; G86-D95 VanDerWaalsContact N-CG 3.28Å; G86-D95 PolarHBondContact N-OD1 2.63Å; G86-D95 PolarHBondContact N-OD2 2.85Å
87	K	90.1	Very high	92.7	Very high	115 Å²	115	52.6 Å²	52.6	50%	0.5	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.6	172.5	-61.9	-167.6	-167.6	162	0	113.3	F84 V85 Q89	F84-K87 HydrophobicContact CB-CB 4.35Å; F84-K87 HydrophobicContact CB-CD 3.49Å; F84-K87 VanDerWaalsContact CB-CD 3.49Å; F84-K87 HydrophobicContact CB-CG 3.88Å; F84-K87 HydrophobicContact CD2-CD 4.41Å; F84-K87 HydrophobicContact CG-CD 3.98Å; V85-K87 VanDerWaalsContact C-N 3.27Å; V85-K87 PolarHBondContact O-N 2.8Å; K87-Q89 VanDerWaalsContact C-N 3.26Å; K87-Q89 HydrophobicContact CB-CG 4.21Å; K87-Q89 PolarHBondContact O-N 2.97Å
88	G	87.8	Confident	93	Very high	63 Å²	63	47.7 Å²	47.7	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	21.7	-179.5	0	0	0	0	0	113.8	L90 D95	G88-L90 VanDerWaalsContact C-N 3.3Å; G88-D95 PolarHBondContact N-OD2 2.81Å
89	Q	89.5	Confident	93.5	Very high	113 Å²	113	43.3 Å²	43.3	53%	0.528	25%	0.248	S	C	.	.			trans	-82.9	-9.9	175.5	-63.3	-173.8	-55.2	0	0	112.5	V83 F84 K87	V83-Q89 HydrophobicContact CG2-CB 3.48Å; V83-Q89 VanDerWaalsContact CG2-CB 3.48Å; V83-Q89 HydrophobicContact CG2-CG 4.36Å; F84-Q89 VanDerWaalsContact N-OE1 3.09Å; K87-Q89 VanDerWaalsContact C-N 3.26Å; K87-Q89 HydrophobicContact CB-CG 4.21Å; K87-Q89 PolarHBondContact O-N 2.97Å
90	L	92.2	Very high	93.8	Very high	27 Å²	27	42 Å²	42	14%	0.141	24%	0.243	C	C	.	.	S	Bend	trans	-116.4	166.5	178.4	-67	177.4	0	0	0	110.9	Y59 F81 V83 G88 M94 D95 L98	Y59-L90 WeakPolarHBondContact OH-CD2 3.48Å; F81-L90 HydrophobicContact CD1-CD2 4.25Å; F81-L90 HydrophobicContact CE1-CD2 3.56Å; F81-L90 HydrophobicContact CZ-CD2 4.2Å; V83-L90 HydrophobicContact CG1-CD1 4.01Å; V83-L90 HydrophobicContact CG1-CD2 4.29Å; V83-L90 HydrophobicContact CG1-CG 4.24Å; V83-L90 HydrophobicContact CG2-CD2 4.29Å; V83-L90 HydrophobicContact CG2-CG 4.1Å; G88-L90 VanDerWaalsContact C-N 3.3Å; L90-M94 HydrophobicContact CB-CB 4.32Å; L90-M94 HydrophobicContact CD1-CB 4.28Å; L90-M94 HydrophobicContact CD1-CG 4Å; L90-D95 HydrophobicContact CB-CB 4.23Å; L90-L98 HydrophobicContact CD1-CD1 3.4Å; L90-L98 VanDerWaalsContact CD1-CD1 3.4Å
91	I	94.4	Very high	94.1	Very high	26 Å²	26	40.8 Å²	40.8	13%	0.133	24%	0.236	C	C	.	.			trans	-60	138.8	160	59.2	178.1	0	0	0	109.8	G93 M94 D95 I111 A116 Y117 L132 F134	I91-G93 PolarHBondContact O-N 2.89Å; I91-M94 HydrophobicContact CD1-CB 4.46Å; I91-M94 HydrophobicContact CG1-CB 3.73Å; I91-M94 WeakPolarHBondContact O-CB 3.48Å; I91-M94 PolarHBondContact O-N 2.8Å; I91-D95 PolarHBondContact O-N 3.17Å; I91-D95 VanDerWaalsContact O-N 3.13Å; I91-I111 HydrophobicContact CD1-CD1 3.73Å; I91-I111 HydrophobicContact CD1-CG2 4.5Å; I91-I111 HydrophobicContact CG1-CD1 4.29Å; I91-A116 HydrophobicContact CD1-CB 4.24Å; I91-Y117 HydrophobicContact CD1-CE2 4.49Å; I91-Y117 HydrophobicContact CG2-CD1 4.31Å; I91-Y117 HydrophobicContact CG2-CD2 4.4Å; I91-Y117 HydrophobicContact CG2-CE1 3.8Å; I91-Y117 HydrophobicContact CG2-CE2 3.89Å; I91-L132 HydrophobicContact CD1-CD1 4.12Å; I91-F134 HydrophobicContact CD1-CE2 3.95Å; I91-F134 HydrophobicContact CD1-CZ 4.24Å
92	T	94.8	Very high	94.2	Very high	75 Å²	75	38.2 Å²	38.2	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-53	-37.7	-168.6	-43.1	0	0	0	0	113.6	M94 Q96 L115	T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 3.09Å; T92-Q96 WeakPolarHBondContact O-CB 3.38Å; T92-Q96 VanDerWaalsContact O-CG 3.24Å; T92-Q96 WeakPolarHBondContact O-CG 3.4Å; T92-Q96 PolarHBondContact O-N 2.77Å; T92-L115 HydrophobicContact CG2-CD2 3.96Å; T92-L115 PolarHBondContact N-O 3.37Å
93	G	95.3	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-24.6	179.4	0	0	0	0	0	114.2	L36 I91 A97 L115	L36-G93 WeakPolarHBondContact CD2-O 3Å; I91-G93 PolarHBondContact O-N 2.89Å; G93-A97 WeakPolarHBondContact O-CB 3.11Å; G93-A97 PolarHBondContact O-N 2.94Å; G93-L115 PolarHBondContact N-O 2.52Å
94	M	96.8	Very high	94.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-81.4	-41.8	174.8	-166.3	73	164.4	0	0	110.5	Y59 L90 I91 T92 Q96 A97 L98 I111 F134 V136	Y59-M94 HydrophobicContact CD2-CE 4.26Å; Y59-M94 HydrophobicContact CE2-CE 3.39Å; L90-M94 HydrophobicContact CB-CB 4.32Å; L90-M94 HydrophobicContact CD1-CB 4.28Å; L90-M94 HydrophobicContact CD1-CG 4Å; I91-M94 HydrophobicContact CD1-CB 4.46Å; I91-M94 HydrophobicContact CG1-CB 3.73Å; I91-M94 WeakPolarHBondContact O-CB 3.48Å; I91-M94 PolarHBondContact O-N 2.8Å; T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 3.09Å; M94-Q96 PolarHBondContact O-N 3.15Å; M94-A97 PolarHBondContact O-N 3.36Å; M94-A97 VanDerWaalsContact O-N 3.1Å; M94-L98 HydrophobicContact CG-CD1 4.24Å; M94-L98 WeakPolarHBondContact O-CG 3.27Å; M94-L98 PolarHBondContact O-N 3Å; M94-I111 HydrophobicContact CB-CD1 4.07Å; M94-I111 HydrophobicContact SD-CD1 4.39Å; M94-F134 HydrophobicContact CE-CD1 4.35Å; M94-F134 HydrophobicContact SD-CB 4.41Å; M94-F134 HydrophobicContact SD-CG 4.27Å; M94-V136 HydrophobicContact CE-CG1 4.09Å; M94-V136 HydrophobicContact CE-CG2 3.65Å; M94-V136 HydrophobicContact SD-CG2 4.28Å
95	D	95.1	Very high	94.6	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-42.5	171.1	-122.1	1.6	0	0	0	110.5	G86 G88 L90 I91 V99	G86-D95 WeakPolarHBondContact CA-OD2 3.01Å; G86-D95 VanDerWaalsContact N-CG 3.28Å; G86-D95 PolarHBondContact N-OD1 2.63Å; G86-D95 PolarHBondContact N-OD2 2.85Å; G88-D95 PolarHBondContact N-OD2 2.81Å; L90-D95 HydrophobicContact CB-CB 4.23Å; I91-D95 PolarHBondContact O-N 3.17Å; I91-D95 VanDerWaalsContact O-N 3.13Å; D95-V99 WeakPolarHBondContact O-CG2 3.06Å
96	Q	95.3	Very high	94.7	Very high	94 Å²	94	41 Å²	41	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-37.5	173.6	-73.7	171.8	-2.3	0	0	113.9	L36 T92 M94	L36-Q96 HydrophobicContact CD2-CB 3.61Å; T92-Q96 WeakPolarHBondContact O-CB 3.38Å; T92-Q96 VanDerWaalsContact O-CG 3.24Å; T92-Q96 WeakPolarHBondContact O-CG 3.4Å; T92-Q96 PolarHBondContact O-N 2.77Å; M94-Q96 PolarHBondContact O-N 3.15Å
97	A	95.9	Very high	95.1	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-78.9	-22.6	-175.1	0	0	0	0	0	114.7	L36 I38 G93 M94 R107 V109	L36-A97 HydrophobicContact CD2-CB 4.4Å; I38-A97 HydrophobicContact CD1-CB 3.98Å; I38-A97 HydrophobicContact CG1-CB 4.11Å; G93-A97 WeakPolarHBondContact O-CB 3.11Å; G93-A97 PolarHBondContact O-N 2.94Å; M94-A97 PolarHBondContact O-N 3.36Å; M94-A97 VanDerWaalsContact O-N 3.1Å; A97-R107 PolarHBondContact O-NH1 3.08Å; A97-V109 HydrophobicContact CB-CB 4.27Å; A97-V109 HydrophobicContact CB-CG1 3.49Å; A97-V109 VanDerWaalsContact CB-CG1 3.49Å; A97-V109 HydrophobicContact CB-CG2 3.74Å
98	L	97.2	Very high	95.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-76.7	-27.9	173.3	-69.9	166	0	0	0	112.2	V51 V57 Y59 V85 L90 M94 G100 M101 V136	V51-L98 VanDerWaalsContact CB-O 3.22Å; V51-L98 WeakPolarHBondContact CB-O 3.46Å; V51-L98 WeakPolarHBondContact CG1-O 3.47Å; V57-L98 HydrophobicContact CG2-CD1 4.31Å; Y59-L98 HydrophobicContact CD1-CD1 4.2Å; Y59-L98 HydrophobicContact CD1-CD2 4.02Å; Y59-L98 HydrophobicContact CE1-CD1 3.61Å; Y59-L98 HydrophobicContact CE1-CD2 4.18Å; Y59-L98 HydrophobicContact CG-CD2 4.31Å; V85-L98 HydrophobicContact CG1-CB 4.31Å; V85-L98 HydrophobicContact CG2-CB 4.18Å; V85-L98 HydrophobicContact CG2-CD1 4.25Å; L90-L98 HydrophobicContact CD1-CD1 3.4Å; L90-L98 VanDerWaalsContact CD1-CD1 3.4Å; M94-L98 HydrophobicContact CG-CD1 4.24Å; M94-L98 WeakPolarHBondContact O-CG 3.27Å; M94-L98 PolarHBondContact O-N 3Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-M101 HydrophobicContact CD2-SD 4.11Å; L98-M101 WeakPolarHBondContact O-CB 3.35Å; L98-M101 PolarHBondContact O-N 2.8Å; L98-V136 HydrophobicContact CD2-CG1 4.11Å
99	V	96.6	Very high	96	Very high	67 Å²	67	32.2 Å²	32.2	41%	0.406	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	139.1	178	172.1	0	0	0	0	111.2	V85 D95 M101 R107	V85-V99 HydrophobicContact CG1-CG2 3.73Å; D95-V99 WeakPolarHBondContact O-CG2 3.06Å; V99-M101 PolarHBondContact O-N 3.21Å; V99-R107 PolarHBondContact O-NH1 2.61Å
100	G	96.2	Very high	96.3	Very high	25 Å²	25	29.7 Å²	29.7	26%	0.258	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	18.2	-178.2	0	0	0	0	0	114	V51 L98 R107	V51-G100 PolarHBondContact O-N 2.71Å; L98-G100 PolarHBondContact O-N 3.49Å; G100-R107 PolarHBondContact O-NH2 2.03Å
101	M	97.4	Very high	96.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-88.3	144.7	177.1	-163.6	164.6	179.2	0	0	111.9	T50 V51 L98 V99 E105 R107 V136 L138	T50-M101 CarbonylContact C-O 3.6Å; T50-M101 WeakPolarHBondContact CA-O 3.37Å; V51-M101 HydrophobicContact CG2-CB 4.19Å; V51-M101 WeakPolarHBondContact CG2-O 3.22Å; V51-M101 PolarHBondContact N-O 3.13Å; L98-M101 HydrophobicContact CD2-SD 4.11Å; L98-M101 WeakPolarHBondContact O-CB 3.35Å; L98-M101 PolarHBondContact O-N 2.8Å; V99-M101 PolarHBondContact O-N 3.21Å; M101-E105 VanDerWaalsContact CA-OE2 3.24Å; M101-E105 WeakPolarHBondContact CA-OE2 3.46Å; M101-E105 HydrophobicContact CE-CB 4.16Å; M101-E105 WeakPolarHBondContact CE-O 3.01Å; M101-E105 HydrophobicContact CG-CB 3.92Å; M101-E105 HydrophobicContact CG-CG 4.29Å; M101-E105 WeakPolarHBondContact CG-OE2 3.29Å; M101-R107 HydrophobicContact CE-CB 4.18Å; M101-R107 HydrophobicContact CE-CG 3.95Å; M101-R107 HydrophobicContact SD-CG 4.16Å; M101-V136 HydrophobicContact CE-CG1 4.25Å; M101-L138 HydrophobicContact CB-CD2 4.21Å; M101-L138 HydrophobicContact CE-CB 3.85Å; M101-L138 HydrophobicContact CG-CB 4.13Å; M101-L138 HydrophobicContact CG-CD2 4.12Å; M101-L138 HydrophobicContact SD-CB 4.09Å
102	C	96.9	Very high	96.7	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.054	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-98.7	154.1	176.1	-55.4	0	0	0	0	111.2	P44 C47 E105 L138	P44-C102 HydrophobicContact CG-CB 3.76Å; C47-C102 HydrophobicContact CB-CB 3.77Å; C47-C102 WeakPolarHBondContact CB-SG 3.33Å; C47-C102 WeakPolarHBondContact SG-CB 3.4Å; C47-C102 CovalentContact SG-SG 2.03Å; C47-C102 PolarHBondContact SG-SG 2.87Å; C102-E105 HydrophobicContact CB-CB 4.11Å; C102-E105 PolarHBondContact N-OE2 3.2Å; C102-E105 WeakPolarHBondContact O-CB 3.49Å; C102-E105 PolarHBondContact O-N 2.83Å; C102-L138 WeakPolarHBondContact O-CD2 3.38Å
103	V	96.8	Very high	96.8	Very high	23 Å²	23	25.2 Å²	25.2	14%	0.139	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	142	170.8	-177	0	0	0	0	109.4	P44 E105 I141 L178 D179	P44-V103 WeakPolarHBondContact CG-O 3Å; V103-E105 PolarHBondContact O-N 3.35Å; V103-E105 VanDerWaalsContact O-N 3.08Å; V103-I141 HydrophobicContact CG2-CG2 3.34Å; V103-L178 HydrophobicContact CG1-CB 3.9Å; V103-L178 WeakPolarHBondContact CG1-O 3.4Å; V103-L178 HydrophobicContact CG2-CB 4.22Å; V103-L178 HydrophobicContact CG2-CD1 4.4Å; V103-D179 HydrophobicContact CG1-CB 4.1Å
104	N	95.9	Very high	96.8	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	4.7	-173.3	-151.9	-2.7	0	0	0	114.1	F42 L138 D179	F42-N104 WeakPolarHBondContact CD1-O 3.35Å; F42-N104 VanDerWaalsContact CE1-O 3.24Å; F42-N104 WeakPolarHBondContact CE1-O 3.34Å; N104-L138 WeakPolarHBondContact CA-O 3.5Å; N104-L138 PolarHBondContact N-O 2.81Å; N104-D179 HydrophobicContact CB-CB 4.33Å; N104-D179 PolarHBondContact ND2-O 3.49Å
105	E	97.4	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.			trans	-68.1	143.2	167.2	-167.6	-178	161.7	0	0	109.9	R40 F42 V43 M101 C102 V103 R107 L138	R40-E105 WeakPolarHBondContact CD-OE1 3.44Å; R40-E105 WeakPolarHBondContact CG-OE1 3.43Å; R40-E105 IonicContact CZ-OE1 3.48Å; R40-E105 IonicContact NE-OE1 3.96Å; R40-E105 PolarHBondContact NE-OE1 3.04Å; F42-E105 WeakPolarHBondContact O-CG 3.46Å; V43-E105 HydrophobicContact CG2-CG 4.23Å; M101-E105 VanDerWaalsContact CA-OE2 3.24Å; M101-E105 WeakPolarHBondContact CA-OE2 3.46Å; M101-E105 HydrophobicContact CE-CB 4.16Å; M101-E105 WeakPolarHBondContact CE-O 3.01Å; M101-E105 HydrophobicContact CG-CB 3.92Å; M101-E105 HydrophobicContact CG-CG 4.29Å; M101-E105 WeakPolarHBondContact CG-OE2 3.29Å; C102-E105 HydrophobicContact CB-CB 4.11Å; C102-E105 PolarHBondContact N-OE2 3.2Å; C102-E105 WeakPolarHBondContact O-CB 3.49Å; C102-E105 PolarHBondContact O-N 2.83Å; V103-E105 PolarHBondContact O-N 3.35Å; V103-E105 VanDerWaalsContact O-N 3.08Å; E105-R107 VanDerWaalsContact CD-NH2 3.31Å; E105-R107 HydrophobicContact CG-CG 4.47Å; E105-R107 IonicContact OE1-CZ 2.79Å; E105-R107 VanDerWaalsContact OE1-CZ 3.24Å; E105-R107 IonicContact OE1-NE 2.8Å; E105-R107 PolarHBondContact OE1-NE 3.25Å; E105-R107 IonicContact OE1-NH2 3.24Å; E105-R107 PolarHBondContact OE1-NH2 2.88Å; E105-R107 IonicContact OE2-CZ 3.45Å; E105-R107 IonicContact OE2-NE 2.89Å; E105-R107 IonicContact OE2-NH2 2.92Å; E105-R107 PolarHBondContact OE2-NH2 3Å; E105-L138 PolarHBondContact O-N 2.88Å
106	R	97.8	Very high	96.7	Very high	101 Å²	101	31.8 Å²	31.8	38%	0.381	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.7	173.7	-164.7	171.9	172.8	161.2	-5.7	111.5	R41 F42 D135 V136 L137	R41-R106 PolarHBondContact N-O 3.19Å; F42-R106 HydrophobicContact CB-CB 4.05Å; F42-R106 PolarHBondContact N-O 2.9Å; F42-R106 PolarHBondContact O-N 3.35Å; R106-D135 WeakPolarHBondContact CG-OD1 3.3Å; R106-D135 IonicContact CZ-OD1 2.88Å; R106-D135 IonicContact CZ-OD2 3.31Å; R106-D135 IonicContact NE-OD1 3.56Å; R106-D135 PolarHBondContact NE-OD1 3.13Å; R106-D135 IonicContact NE-OD2 3.74Å; R106-D135 PolarHBondContact NE-OD2 3.16Å; R106-D135 VanDerWaalsContact NH2-CG 3.29Å; R106-D135 IonicContact NH2-OD1 2.62Å; R106-D135 PolarHBondContact NH2-OD1 3.34Å; R106-D135 IonicContact NH2-OD2 2.69Å; R106-D135 PolarHBondContact NH2-OD2 2.78Å; R106-V136 CarbonylContact C-O 3.48Å; R106-V136 VanDerWaalsContact CA-O 3.25Å; R106-V136 WeakPolarHBondContact CA-O 3.28Å; R106-V136 WeakPolarHBondContact CG-O 3.48Å; R106-L137 HydrophobicContact CB-CD1 4.3Å
107	R	98.1	Very high	96.7	Very high	4 Å²	4	32 Å²	32	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	-179.6	-71.6	-177.6	177.9	177.3	4.7	111.3	I38 E39 R40 A97 V99 G100 M101 E105 V109 D135 V136	I38-R107 HydrophobicContact CG2-CG 4.21Å; E39-R107 CarbonylContact O-C 3.59Å; E39-R107 WeakPolarHBondContact O-CA 3.47Å; R40-R107 HydrophobicContact CG-CG 4.49Å; A97-R107 PolarHBondContact O-NH1 3.08Å; V99-R107 PolarHBondContact O-NH1 2.61Å; G100-R107 PolarHBondContact O-NH2 2.03Å; M101-R107 HydrophobicContact CE-CB 4.18Å; M101-R107 HydrophobicContact CE-CG 3.95Å; M101-R107 HydrophobicContact SD-CG 4.16Å; E105-R107 VanDerWaalsContact CD-NH2 3.31Å; E105-R107 HydrophobicContact CG-CG 4.47Å; E105-R107 IonicContact OE1-CZ 2.79Å; E105-R107 VanDerWaalsContact OE1-CZ 3.24Å; E105-R107 IonicContact OE1-NE 2.8Å; E105-R107 PolarHBondContact OE1-NE 3.25Å; E105-R107 IonicContact OE1-NH2 3.24Å; E105-R107 PolarHBondContact OE1-NH2 2.88Å; E105-R107 IonicContact OE2-CZ 3.45Å; E105-R107 IonicContact OE2-NE 2.89Å; E105-R107 IonicContact OE2-NH2 2.92Å; E105-R107 PolarHBondContact OE2-NH2 3Å; R107-V109 HydrophobicContact CB-CG2 4.07Å; R107-D135 CarbonylContact O-C 3.52Å; R107-V136 PolarHBondContact N-O 2.85Å; R107-V136 PolarHBondContact O-N 2.8Å
108	F	98.1	Very high	96.5	Very high	26 Å²	26	33 Å²	33	11%	0.114	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.5	162.8	-173.8	-112.6	0	0	0	109.2	E39 R41 K110 H133 F134 D135	E39-F108 HydrophobicContact CB-CB 4.21Å; E39-F108 WeakPolarHBondContact CB-O 3.42Å; E39-F108 PolarHBondContact N-O 3.24Å; E39-F108 PolarHBondContact O-N 2.91Å; R41-F108 HydrophobicContact CG-CB 4.14Å; R41-F108 VanDerWaalsContact CZ-CB 3.42Å; F108-K110 HydrophobicContact CE1-CG 4.2Å; F108-H133 HydrophobicContact CE2-CB 3.95Å; F108-H133 HydrophobicContact CZ-CB 3.73Å; F108-H133 AromaticContact CZ-CG 3.84Å; F108-H133 AromaticContact CZ-ND1 3.88Å; F108-F134 CarbonylContact C-O 3.6Å; F108-F134 WeakPolarHBondContact CA-O 3.37Å; F108-F134 WeakPolarHBondContact CD2-O 3.43Å; F108-D135 HydrophobicContact CD2-CB 4.06Å
109	V	97.6	Very high	96.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.3	-167.3	-172.1	0	0	0	0	108.7	L36 Q37 I38 A97 R107 I111 H133 F134 V136	L36-V109 HydrophobicContact CD1-CG1 3.77Å; Q37-V109 CarbonylContact O-C 3.58Å; Q37-V109 WeakPolarHBondContact O-CA 3.27Å; I38-V109 HydrophobicContact CG1-CG1 4.44Å; A97-V109 HydrophobicContact CB-CB 4.27Å; A97-V109 HydrophobicContact CB-CG1 3.49Å; A97-V109 VanDerWaalsContact CB-CG1 3.49Å; A97-V109 HydrophobicContact CB-CG2 3.74Å; R107-V109 HydrophobicContact CB-CG2 4.07Å; V109-I111 HydrophobicContact CG1-CD1 4.22Å; V109-I111 HydrophobicContact CG1-CG1 3.7Å; V109-H133 CarbonylContact O-C 3.56Å; V109-H133 WeakPolarHBondContact O-CA 3.37Å; V109-F134 HydrophobicContact CB-CB 4.44Å; V109-F134 PolarHBondContact N-O 2.87Å; V109-F134 PolarHBondContact O-N 3.02Å; V109-V136 HydrophobicContact CG2-CG2 4.28Å
110	K	97.6	Very high	96.3	Very high	61 Å²	61	42.4 Å²	42.4	27%	0.265	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.8	172.8	-42.8	-176.8	-162.1	136.5	0	108.6	Q37 F108 L132	Q37-K110 HydrophobicContact CB-CB 4.12Å; Q37-K110 HydrophobicContact CB-CD 4.48Å; Q37-K110 HydrophobicContact CB-CG 4.33Å; Q37-K110 PolarHBondContact N-O 3.35Å; Q37-K110 VanDerWaalsContact N-O 3.14Å; Q37-K110 PolarHBondContact O-N 2.79Å; F108-K110 HydrophobicContact CE1-CG 4.2Å; K110-L132 CarbonylContact C-O 3.57Å; K110-L132 WeakPolarHBondContact CA-O 3.42Å
111	I	97.6	Very high	96.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.7	-174.8	-54.3	-177.9	0	0	0	108.7	L36 I91 M94 V109 L115 A116 L132 F134	L36-I111 HydrophobicContact CD1-CB 4.39Å; L36-I111 HydrophobicContact CD1-CG1 3.87Å; I91-I111 HydrophobicContact CD1-CD1 3.73Å; I91-I111 HydrophobicContact CD1-CG2 4.5Å; I91-I111 HydrophobicContact CG1-CD1 4.29Å; M94-I111 HydrophobicContact CB-CD1 4.07Å; M94-I111 HydrophobicContact SD-CD1 4.39Å; V109-I111 HydrophobicContact CG1-CD1 4.22Å; V109-I111 HydrophobicContact CG1-CG1 3.7Å; I111-L115 HydrophobicContact CG2-CB 3.77Å; I111-L115 WeakPolarHBondContact CG2-O 3.27Å; I111-A116 HydrophobicContact CG2-CB 3.88Å; I111-L132 PolarHBondContact N-O 3.21Å; I111-L132 PolarHBondContact O-N 3.43Å; I111-F134 HydrophobicContact CD1-CD2 3.69Å; I111-F134 HydrophobicContact CD1-CE2 3.83Å; I111-F134 HydrophobicContact CG1-CD2 4.3Å
112	P	97.1	Very high	95.9	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.032	23%	0.231	C	C	.	.			trans	-70.8	158	175.1	32.2	-37.4	0	0	0	110.6	A34 K114 L115 A116	A34-P112 HydrophobicContact CB-CB 4.05Å; A34-P112 WeakPolarHBondContact O-CB 3.26Å; A34-P112 VanDerWaalsContact O-CG 3.27Å; A34-P112 WeakPolarHBondContact O-CG 3.33Å; P112-K114 HydrophobicContact CB-CG 4.38Å; P112-K114 HydrophobicContact CG-CG 4.23Å; P112-K114 PolarHBondContact O-N 2.9Å; P112-K114 VanDerWaalsContact O-N 3.1Å; P112-L115 HydrophobicContact CG-CB 4.22Å; P112-L115 HydrophobicContact CG-CD1 3.93Å; P112-L115 HydrophobicContact CG-CG 4.15Å; P112-L115 PolarHBondContact O-N 2.93Å; P112-A116 PolarHBondContact O-N 3.19Å
113	P	96.1	Very high	95.7	Very high	28 Å²	28	50 Å²	50	18%	0.182	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58.6	-34.5	-172.1	-23.3	32.3	0	0	0	113.9	L115 A116 G118 N129 V131	P113-L115 PolarHBondContact O-N 2.73Å; P113-L115 VanDerWaalsContact O-N 3.13Å; P113-A116 CarbonylContact O-C 3.54Å; P113-A116 PolarHBondContact O-N 3.43Å; P113-G118 VanDerWaalsContact O-CA 3.29Å; P113-G118 WeakPolarHBondContact O-CA 3.32Å; P113-G118 PolarHBondContact O-N 3.45Å; P113-N129 WeakPolarHBondContact CG-O 3.47Å; P113-V131 HydrophobicContact CG-CG2 4.44Å
114	K	95.4	Very high	95.4	Very high	114 Å²	114	53 Å²	53	50%	0.496	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-63.1	-11.8	175.9	63.7	166.8	179.2	174.4	0	114.9	D33 A34 P112	D33-K114 IonicContact OD1-NZ 3.42Å; D33-K114 PolarHBondContact OD1-NZ 2.62Å; A34-K114 WeakPolarHBondContact O-CE 3.42Å; P112-K114 HydrophobicContact CB-CG 4.38Å; P112-K114 HydrophobicContact CG-CG 4.23Å; P112-K114 PolarHBondContact O-N 2.9Å; P112-K114 VanDerWaalsContact O-N 3.1Å
115	L	95.6	Very high	95.2	Very high	27 Å²	27	53.8 Å²	53.8	14%	0.141	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-119.4	6.1	175.2	-63.9	177.6	0	0	0	112.5	L36 T92 G93 I111 P112 P113	L36-L115 HydrophobicContact CB-CD1 3.84Å; T92-L115 HydrophobicContact CG2-CD2 3.96Å; T92-L115 PolarHBondContact N-O 3.37Å; G93-L115 PolarHBondContact N-O 2.52Å; I111-L115 HydrophobicContact CG2-CB 3.77Å; I111-L115 WeakPolarHBondContact CG2-O 3.27Å; P112-L115 HydrophobicContact CG-CB 4.22Å; P112-L115 HydrophobicContact CG-CD1 3.93Å; P112-L115 HydrophobicContact CG-CG 4.15Å; P112-L115 PolarHBondContact O-N 2.93Å; P113-L115 PolarHBondContact O-N 2.73Å; P113-L115 VanDerWaalsContact O-N 3.13Å
116	A	94.6	Very high	95.1	Very high	20 Å²	20	54.3 Å²	54.3	17%	0.165	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-129.2	175	0	0	0	0	0	109.5	I91 I111 P112 P113 L132	I91-A116 HydrophobicContact CD1-CB 4.24Å; I111-A116 HydrophobicContact CG2-CB 3.88Å; P112-A116 PolarHBondContact O-N 3.19Å; P113-A116 CarbonylContact O-C 3.54Å; P113-A116 PolarHBondContact O-N 3.43Å; A116-L132 HydrophobicContact CB-CD1 3.84Å; A116-L132 HydrophobicContact CB-CG 4.22Å
117	Y	94.3	Very high	95	Very high	98 Å²	98	52.8 Å²	52.8	38%	0.384	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	14.1	-176.3	-56.9	-83.4	0	0	0	114.3	I91 E120 G121 V122 I126 L132	I91-Y117 HydrophobicContact CD1-CE2 4.49Å; I91-Y117 HydrophobicContact CG2-CD1 4.31Å; I91-Y117 HydrophobicContact CG2-CD2 4.4Å; I91-Y117 HydrophobicContact CG2-CE1 3.8Å; I91-Y117 HydrophobicContact CG2-CE2 3.89Å; Y117-E120 PolarHBondContact O-N 2.78Å; Y117-G121 PolarHBondContact O-N 3.25Å; Y117-V122 HydrophobicContact CD1-CG2 3.42Å; Y117-V122 VanDerWaalsContact CD1-CG2 3.42Å; Y117-V122 HydrophobicContact CD2-CG2 4Å; Y117-V122 HydrophobicContact CE1-CG2 3.52Å; Y117-V122 HydrophobicContact CE2-CG2 4.1Å; Y117-V122 HydrophobicContact CG-CG2 3.67Å; Y117-I126 HydrophobicContact CD2-CD1 3.72Å; Y117-I126 HydrophobicContact CD2-CG2 4.11Å; Y117-I126 HydrophobicContact CE2-CD1 3.38Å; Y117-L132 HydrophobicContact CD2-CD1 3.95Å; Y117-L132 HydrophobicContact CE2-CD1 3.84Å
118	G	93.4	Very high	94.9	Very high	24 Å²	24	56.2 Å²	56.2	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	-139.5	172.6	0	0	0	0	0	114.7	P113 E120 N129	P113-G118 VanDerWaalsContact O-CA 3.29Å; P113-G118 WeakPolarHBondContact O-CA 3.32Å; P113-G118 PolarHBondContact O-N 3.45Å; G118-E120 VanDerWaalsContact C-N 3.34Å; G118-N129 WeakPolarHBondContact O-CA 3.49Å; G118-N129 PolarHBondContact O-N 3.3Å
119	S	94.9	Very high	94.7	Very high	90 Å²	90	60 Å²	60	63%	0.629	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.2	177.5	54.8	0	0	0	0	114.3	P128	S119-P128 WeakPolarHBondContact O-CB 3.41Å
120	E	94.1	Very high	94.6	Very high	174 Å²	174	61 Å²	61	81%	0.813	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-40.5	178.9	-59.9	-168	147.6	0	0	111.6	Y117 G118	Y117-E120 PolarHBondContact O-N 2.78Å; G118-E120 VanDerWaalsContact C-N 3.34Å
121	G	92.1	Very high	94.6	Very high	15 Å²	15	60.6 Å²	60.6	16%	0.155	37%	0.373	C	S	.	.			trans	71.5	-159.5	-175.4	0	0	0	0	0	112.9	Y117 I126	Y117-G121 PolarHBondContact O-N 3.25Å; G121-I126 CarbonylContact C-O 3.58Å; G121-I126 WeakPolarHBondContact CA-O 3.4Å
122	V	93.8	Very high	94.6	Very high	50 Å²	50	60.6 Å²	60.6	30%	0.303	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-128	113.7	169.7	-176.5	0	0	0	0	107.8	Y117 G124 V125 I126	Y117-V122 HydrophobicContact CD1-CG2 3.42Å; Y117-V122 VanDerWaalsContact CD1-CG2 3.42Å; Y117-V122 HydrophobicContact CD2-CG2 4Å; Y117-V122 HydrophobicContact CE1-CG2 3.52Å; Y117-V122 HydrophobicContact CE2-CG2 4.1Å; Y117-V122 HydrophobicContact CG-CG2 3.67Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-V125 HydrophobicContact CG1-CB 4.35Å; V122-V125 PolarHBondContact O-N 3.36Å; V122-I126 HydrophobicContact CB-CB 3.96Å; V122-I126 HydrophobicContact CB-CG1 4.33Å; V122-I126 HydrophobicContact CG2-CB 4.17Å; V122-I126 HydrophobicContact CG2-CD1 4.12Å; V122-I126 HydrophobicContact CG2-CG1 4.43Å; V122-I126 PolarHBondContact N-O 2.93Å; V122-I126 PolarHBondContact O-N 3.39Å; V122-I126 VanDerWaalsContact O-O 3.13Å
123	S	91.7	Very high	94.6	Very high	128 Å²	128	61.9 Å²	61.9	90%	0.895	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	123.8	-174	-169.9	0	0	0	0	112.2	V125	S123-V125 VanDerWaalsContact C-N 3.29Å; S123-V125 PolarHBondContact O-N 2.79Å
124	G	89.6	Confident	94.7	Very high	86 Å²	86	61.1 Å²	61.1	89%	0.887	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-5.4	179.4	0	0	0	0	0	116.5	V122	V122-G124 PolarHBondContact O-N 3.16Å
125	V	93.1	Very high	94.8	Very high	77 Å²	77	56.9 Å²	56.9	47%	0.467	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-46.6	-176.9	-169.5	0	0	0	0	112.8	F71 V122 S123	F71-V125 HydrophobicContact CB-CG1 4.37Å; V122-V125 HydrophobicContact CG1-CB 4.35Å; V122-V125 PolarHBondContact O-N 3.36Å; S123-V125 VanDerWaalsContact C-N 3.29Å; S123-V125 PolarHBondContact O-N 2.79Å
126	I	95.1	Very high	95	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.056	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-128.2	113.5	-175.1	-59.9	177.7	0	0	0	109.4	F65 F71 Y117 G121 V122 L132	F65-I126 HydrophobicContact CE1-CG2 4.34Å; F65-I126 HydrophobicContact CZ-CG1 4.4Å; F71-I126 HydrophobicContact CD2-CD1 4.08Å; F71-I126 HydrophobicContact CD2-CG1 4.31Å; F71-I126 HydrophobicContact CE2-CD1 4.03Å; F71-I126 HydrophobicContact CG-CG1 4.5Å; Y117-I126 HydrophobicContact CD2-CD1 3.72Å; Y117-I126 HydrophobicContact CD2-CG2 4.11Å; Y117-I126 HydrophobicContact CE2-CD1 3.38Å; G121-I126 CarbonylContact C-O 3.58Å; G121-I126 WeakPolarHBondContact CA-O 3.4Å; V122-I126 HydrophobicContact CB-CB 3.96Å; V122-I126 HydrophobicContact CB-CG1 4.33Å; V122-I126 HydrophobicContact CG2-CB 4.17Å; V122-I126 HydrophobicContact CG2-CD1 4.12Å; V122-I126 HydrophobicContact CG2-CG1 4.43Å; V122-I126 PolarHBondContact N-O 2.93Å; V122-I126 PolarHBondContact O-N 3.39Å; V122-I126 VanDerWaalsContact O-O 3.13Å; I126-L132 HydrophobicContact CD1-CD1 4.24Å; I126-L132 HydrophobicContact CD1-CD2 4.43Å; I126-L132 HydrophobicContact CG2-CD2 3.91Å
127	P	95.5	Very high	95.1	Very high	69 Å²	69	56.1 Å²	56.1	45%	0.448	35%	0.349	S	S	.	.			trans	-61	153.5	177.1	-24.7	33.9	0	0	0	114	N129 S130	P127-N129 PolarHBondContact O-N 3.38Å; P127-S130 WeakPolarHBondContact CD-OG 3.39Å; P127-S130 WeakPolarHBondContact O-CB 3.44Å; P127-S130 PolarHBondContact O-N 2.9Å; P127-S130 PolarHBondContact O-OG 3.4Å
128	P	95.8	Very high	95.3	Very high	75 Å²	75	51.5 Å²	51.5	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	137.6	166.3	-30	37.5	0	0	0	112.7	S119 S130	S119-P128 WeakPolarHBondContact O-CB 3.41Å; P128-S130 VanDerWaalsContact C-N 3.25Å; P128-S130 PolarHBondContact O-N 3.21Å
129	N	94.9	Very high	95.4	Very high	105 Å²	105	51.5 Å²	51.5	56%	0.561	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	20.8	179	-49.4	-71.8	0	0	0	115.6	P113 G118 P127	P113-N129 WeakPolarHBondContact CG-O 3.47Å; G118-N129 WeakPolarHBondContact O-CA 3.49Å; G118-N129 PolarHBondContact O-N 3.3Å; P127-N129 PolarHBondContact O-N 3.38Å
130	S	95.3	Very high	95.4	Very high	24 Å²	24	47.2 Å²	47.2	17%	0.168	29%	0.294	C	S	.	.			trans	-69.2	133	173.4	-76	0	0	0	0	113.4	P127 P128	P127-S130 WeakPolarHBondContact CD-OG 3.39Å; P127-S130 WeakPolarHBondContact O-CB 3.44Å; P127-S130 PolarHBondContact O-N 2.9Å; P127-S130 PolarHBondContact O-OG 3.4Å; P128-S130 VanDerWaalsContact C-N 3.25Å; P128-S130 PolarHBondContact O-N 3.21Å
131	V	96.1	Very high	95.6	Very high	53 Å²	53	39.2 Å²	39.2	32%	0.321	26%	0.257	S	S	.	.			trans	-75.2	137.2	159	175.8	0	0	0	0	108.1	P66 P113	P66-V131 HydrophobicContact CG-CB 4.03Å; P66-V131 HydrophobicContact CG-CG1 4.2Å; P113-V131 HydrophobicContact CG-CG2 4.44Å
132	L	97.6	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139	178.2	-51	-178.3	0	0	0	110.8	F65 F71 I91 K110 I111 A116 Y117 I126 F134	F65-L132 HydrophobicContact CD1-CD2 4.11Å; F65-L132 HydrophobicContact CE1-CD2 3.79Å; F71-L132 HydrophobicContact CD1-CD2 4.47Å; F71-L132 HydrophobicContact CE1-CB 4.27Å; F71-L132 HydrophobicContact CE1-CD2 3.74Å; F71-L132 HydrophobicContact CE1-CG 4.43Å; F71-L132 HydrophobicContact CZ-CB 4.22Å; F71-L132 HydrophobicContact CZ-CD1 4.15Å; F71-L132 HydrophobicContact CZ-CD2 4.01Å; F71-L132 HydrophobicContact CZ-CG 4.35Å; I91-L132 HydrophobicContact CD1-CD1 4.12Å; K110-L132 CarbonylContact C-O 3.57Å; K110-L132 WeakPolarHBondContact CA-O 3.42Å; I111-L132 PolarHBondContact N-O 3.21Å; I111-L132 PolarHBondContact O-N 3.43Å; A116-L132 HydrophobicContact CB-CD1 3.84Å; A116-L132 HydrophobicContact CB-CG 4.22Å; Y117-L132 HydrophobicContact CD2-CD1 3.95Å; Y117-L132 HydrophobicContact CE2-CD1 3.84Å; I126-L132 HydrophobicContact CD1-CD1 4.24Å; I126-L132 HydrophobicContact CD1-CD2 4.43Å; I126-L132 HydrophobicContact CG2-CD2 3.91Å; L132-F134 HydrophobicContact CB-CD2 4.21Å; L132-F134 HydrophobicContact CB-CE2 3.67Å; L132-F134 HydrophobicContact CD1-CE2 3.9Å; L132-F134 HydrophobicContact CD1-CZ 4.23Å; L132-F134 HydrophobicContact CG-CE2 4.46Å
133	H	98.1	Very high	95.8	Very high	31 Å²	31	38.6 Å²	38.6	14%	0.144	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122	173	-68.9	171.2	0	0	0	109.8	T64 F108 V109	T64-H133 PolarHBondContact N-O 3.07Å; T64-H133 WeakPolarHBondContact O-CB 3.48Å; T64-H133 PolarHBondContact O-N 3.07Å; T64-H133 WeakPolarHBondContact OG1-CB 3.21Å; T64-H133 PolarHBondContact OG1-O 3.29Å; T64-H133 VanDerWaalsContact OG1-O 3.12Å; F108-H133 HydrophobicContact CE2-CB 3.95Å; F108-H133 HydrophobicContact CZ-CB 3.73Å; F108-H133 AromaticContact CZ-CG 3.84Å; F108-H133 AromaticContact CZ-ND1 3.88Å; V109-H133 CarbonylContact O-C 3.56Å; V109-H133 WeakPolarHBondContact O-CA 3.37Å
134	F	98.3	Very high	95.8	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.1	175.4	-71.1	-90.7	0	0	0	110.4	Y61 V62 F71 I91 M94 F108 V109 I111 L132 V136	Y61-F134 AromaticContact CD2-CD1 3.76Å; Y61-F134 HydrophobicContact CD2-CD1 3.76Å; Y61-F134 AromaticContact CD2-CE1 3.85Å; Y61-F134 HydrophobicContact CD2-CE1 3.85Å; Y61-F134 HydrophobicContact CE2-CD1 4.45Å; Y61-F134 HydrophobicContact CE2-CE1 4.08Å; Y61-F134 HydrophobicContact CG-CD1 4.37Å; V62-F134 WeakPolarHBondContact O-CA 3.19Å; F71-F134 HydrophobicContact CE2-CE1 4.25Å; F71-F134 HydrophobicContact CE2-CZ 4.03Å; F71-F134 HydrophobicContact CZ-CE1 4.04Å; F71-F134 HydrophobicContact CZ-CE2 4.16Å; F71-F134 AromaticContact CZ-CZ 3.66Å; F71-F134 HydrophobicContact CZ-CZ 3.66Å; I91-F134 HydrophobicContact CD1-CE2 3.95Å; I91-F134 HydrophobicContact CD1-CZ 4.24Å; M94-F134 HydrophobicContact CE-CD1 4.35Å; M94-F134 HydrophobicContact SD-CB 4.41Å; M94-F134 HydrophobicContact SD-CG 4.27Å; F108-F134 CarbonylContact C-O 3.6Å; F108-F134 WeakPolarHBondContact CA-O 3.37Å; F108-F134 WeakPolarHBondContact CD2-O 3.43Å; V109-F134 HydrophobicContact CB-CB 4.44Å; V109-F134 PolarHBondContact N-O 2.87Å; V109-F134 PolarHBondContact O-N 3.02Å; I111-F134 HydrophobicContact CD1-CD2 3.69Å; I111-F134 HydrophobicContact CD1-CE2 3.83Å; I111-F134 HydrophobicContact CG1-CD2 4.3Å; L132-F134 HydrophobicContact CB-CD2 4.21Å; L132-F134 HydrophobicContact CB-CE2 3.67Å; L132-F134 HydrophobicContact CD1-CE2 3.9Å; L132-F134 HydrophobicContact CD1-CZ 4.23Å; L132-F134 HydrophobicContact CG-CE2 4.46Å; F134-V136 HydrophobicContact CB-CG2 3.76Å
135	D	98	Very high	96.1	Very high	24 Å²	24	41 Å²	41	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.1	160.1	-162.6	-26.4	0	0	0	107.5	R41 Y61 V62 R106 R107 F108	R41-D135 IonicContact NH1-OD2 3.31Å; R41-D135 PolarHBondContact NH1-OD2 3.28Å; Y61-D135 CarbonylContact C-O 3.51Å; Y61-D135 WeakPolarHBondContact CA-O 3.23Å; V62-D135 PolarHBondContact N-O 3.1Å; V62-D135 PolarHBondContact O-N 2.81Å; R106-D135 WeakPolarHBondContact CG-OD1 3.3Å; R106-D135 IonicContact CZ-OD1 2.88Å; R106-D135 IonicContact CZ-OD2 3.31Å; R106-D135 IonicContact NE-OD1 3.56Å; R106-D135 PolarHBondContact NE-OD1 3.13Å; R106-D135 IonicContact NE-OD2 3.74Å; R106-D135 PolarHBondContact NE-OD2 3.16Å; R106-D135 VanDerWaalsContact NH2-CG 3.29Å; R106-D135 IonicContact NH2-OD1 2.62Å; R106-D135 PolarHBondContact NH2-OD1 3.34Å; R106-D135 IonicContact NH2-OD2 2.69Å; R106-D135 PolarHBondContact NH2-OD2 2.78Å; R107-D135 CarbonylContact O-C 3.52Å; F108-D135 HydrophobicContact CD2-CB 4.06Å
136	V	98.1	Very high	96.2	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131	-164.1	-170.6	0	0	0	0	110.4	Y59 H60 M94 L98 M101 R106 R107 V109 F134	Y59-V136 HydrophobicContact CD2-CG1 3.83Å; Y59-V136 HydrophobicContact CE2-CG1 4.4Å; Y59-V136 HydrophobicContact CG-CG1 4.33Å; H60-V136 WeakPolarHBondContact O-CA 3.23Å; M94-V136 HydrophobicContact CE-CG1 4.09Å; M94-V136 HydrophobicContact CE-CG2 3.65Å; M94-V136 HydrophobicContact SD-CG2 4.28Å; L98-V136 HydrophobicContact CD2-CG1 4.11Å; M101-V136 HydrophobicContact CE-CG1 4.25Å; R106-V136 CarbonylContact C-O 3.48Å; R106-V136 VanDerWaalsContact CA-O 3.25Å; R106-V136 WeakPolarHBondContact CA-O 3.28Å; R106-V136 WeakPolarHBondContact CG-O 3.48Å; R107-V136 PolarHBondContact N-O 2.85Å; R107-V136 PolarHBondContact O-N 2.8Å; V109-V136 HydrophobicContact CG2-CG2 4.28Å; F134-V136 HydrophobicContact CB-CG2 3.76Å
137	L	97.6	Very high	96.3	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.4	176.6	176	66.1	0	0	0	109.4	Y59 H60 R106 M139	Y59-L137 CarbonylContact C-O 3.59Å; Y59-L137 VanDerWaalsContact CA-O 3.3Å; Y59-L137 WeakPolarHBondContact CA-O 3.44Å; Y59-L137 VanDerWaalsContact CB-O 3.28Å; Y59-L137 WeakPolarHBondContact CB-O 3.46Å; H60-L137 PolarHBondContact N-O 2.94Å; H60-L137 PolarHBondContact O-N 2.8Å; R106-L137 HydrophobicContact CB-CD1 4.3Å; L137-M139 HydrophobicContact CD2-SD 3.74Å; L137-M139 HydrophobicContact CG-SD 3.78Å
138	L	97.5	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.1	179.5	-174.8	67.6	0	0	0	110.5	V51 V57 M101 C102 N104 E105 D140	V51-L138 HydrophobicContact CG2-CD2 3.52Å; V57-L138 HydrophobicContact CB-CD1 3.79Å; V57-L138 HydrophobicContact CG1-CD1 4.02Å; M101-L138 HydrophobicContact CB-CD2 4.21Å; M101-L138 HydrophobicContact CE-CB 3.85Å; M101-L138 HydrophobicContact CG-CB 4.13Å; M101-L138 HydrophobicContact CG-CD2 4.12Å; M101-L138 HydrophobicContact SD-CB 4.09Å; C102-L138 WeakPolarHBondContact O-CD2 3.38Å; N104-L138 WeakPolarHBondContact CA-O 3.5Å; N104-L138 PolarHBondContact N-O 2.81Å; E105-L138 PolarHBondContact O-N 2.88Å; L138-D140 WeakPolarHBondContact CD1-O 3.35Å
139	M	95.7	Very high	96.4	Very high	24 Å²	24	45.1 Å²	45.1	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-31.1	-177.9	-52	-56.3	-60.9	0	0	112.9	R58 T80 L137 D179	R58-M139 HydrophobicContact CG-CB 4.48Å; R58-M139 WeakPolarHBondContact O-CA 3.44Å; R58-M139 WeakPolarHBondContact O-CB 3.5Å; R58-M139 PolarHBondContact O-N 2.72Å; T80-M139 HydrophobicContact CG2-CG 4.24Å; L137-M139 HydrophobicContact CD2-SD 3.74Å; L137-M139 HydrophobicContact CG-SD 3.78Å; M139-D179 VanDerWaalsContact CE-OD2 3.23Å; M139-D179 WeakPolarHBondContact CE-OD2 3.35Å
140	D	96.7	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	154.7	-170.6	-138.3	-59.3	0	0	0	112.4	V57 R58 L138 L178 A242 S243	V57-D140 WeakPolarHBondContact CA-O 3.36Å; R58-D140 HydrophobicContact CB-CB 3.48Å; R58-D140 VanDerWaalsContact CB-CB 3.48Å; R58-D140 HydrophobicContact CG-CB 4.37Å; R58-D140 IonicContact CZ-OD2 3.42Å; R58-D140 PolarHBondContact N-O 2.71Å; R58-D140 IonicContact NE-OD2 2.83Å; R58-D140 PolarHBondContact NE-OD2 2.79Å; R58-D140 IonicContact NH2-OD2 3.27Å; R58-D140 PolarHBondContact NH2-OD2 3.11Å; R58-D140 PolarHBondContact O-N 2.99Å; L138-D140 WeakPolarHBondContact CD1-O 3.35Å; D140-L178 WeakPolarHBondContact OD1-CD1 3.49Å; D140-A242 VanDerWaalsContact OD2-CA 3.31Å; D140-A242 WeakPolarHBondContact OD2-CA 3.43Å; D140-S243 WeakPolarHBondContact OD1-CB 3.2Å; D140-S243 PolarHBondContact OD1-N 2.85Å; D140-S243 PolarHBondContact OD1-OG 2.82Å; D140-S243 PolarHBondContact OD2-N 3.27Å
141	I	96.6	Very high	96.7	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	121.3	-176.6	176.9	-176.1	0	0	0	110.6	R49 V51 D55 F56 V103 L178	R49-I141 HydrophobicContact CG-CD1 3.71Å; V51-I141 HydrophobicContact CB-CD1 4.23Å; V51-I141 HydrophobicContact CG2-CD1 3.74Å; V51-I141 HydrophobicContact CG2-CG1 4.32Å; D55-I141 HydrophobicContact CB-CG1 4.3Å; F56-I141 WeakPolarHBondContact O-CA 3.33Å; V103-I141 HydrophobicContact CG2-CG2 3.34Å; I141-L178 HydrophobicContact CG2-CD1 4.41Å
142	W	96.3	Very high	96.8	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	169	176.4	60.1	-91.2	0	0	0	111.4	R49 F56 D146 P224 P225 F226 Q241	R49-W142 VanDerWaalsContact NH2-C 3.29Å; F56-W142 HydrophobicContact CB-CD2 3.91Å; F56-W142 HydrophobicContact CB-CE3 4.31Å; F56-W142 HydrophobicContact CB-CG 4.44Å; F56-W142 HydrophobicContact CB-CH2 4.16Å; F56-W142 HydrophobicContact CB-CZ2 3.74Å; F56-W142 HydrophobicContact CB-CZ3 4.43Å; F56-W142 AromaticContact CD1-CD1 3.96Å; F56-W142 HydrophobicContact CD1-CD2 4.39Å; F56-W142 AromaticContact CD1-CE2 3.41Å; F56-W142 VanDerWaalsContact CD1-CE2 3.41Å; F56-W142 AromaticContact CD1-CZ2 3.61Å; F56-W142 HydrophobicContact CD1-CZ2 3.61Å; F56-W142 AromaticContact CD1-NE1 3.1Å; F56-W142 HydrophobicContact CD2-CH2 4.18Å; F56-W142 AromaticContact CD2-CZ2 3.65Å; F56-W142 HydrophobicContact CD2-CZ2 3.65Å; F56-W142 HydrophobicContact CE1-CZ2 4.02Å; F56-W142 AromaticContact CE1-NE1 3.62Å; F56-W142 HydrophobicContact CE2-CZ2 4.05Å; F56-W142 HydrophobicContact CG-CD2 4.32Å; F56-W142 AromaticContact CG-CE2 3.51Å; F56-W142 HydrophobicContact CG-CH2 4.13Å; F56-W142 AromaticContact CG-CZ2 3.39Å; F56-W142 HydrophobicContact CG-CZ2 3.39Å; F56-W142 AromaticContact CG-NE1 3.72Å; F56-W142 HydrophobicContact CZ-CZ2 4.2Å; F56-W142 PolarHBondContact N-O 3.09Å; F56-W142 PolarHBondContact O-N 2.71Å; F56-W142 VanDerWaalsContact O-N 3.11Å; W142-D146 WeakPolarHBondContact CA-OD2 3.4Å; W142-P224 HydrophobicContact CB-CB 4.49Å; W142-P225 HydrophobicContact CD2-CG 4.13Å; W142-P225 HydrophobicContact CG-CG 4.06Å; W142-P225 HydrophobicContact CZ2-CG 4.45Å; W142-F226 AromaticContact CE3-CD1 3.99Å; W142-F226 HydrophobicContact CE3-CD1 3.99Å; W142-F226 AromaticContact CE3-CE1 3.77Å; W142-F226 HydrophobicContact CE3-CE1 3.77Å; W142-F226 AromaticContact CZ3-CD1 3.9Å; W142-F226 HydrophobicContact CZ3-CD1 3.9Å; W142-F226 AromaticContact CZ3-CE1 4Å; W142-F226 HydrophobicContact CZ3-CE1 4Å; W142-Q241 VanDerWaalsContact CZ2-OE1 3.24Å
143	N	94.6	Very high	96.8	Very high	35 Å²	35	53.3 Å²	53.3	19%	0.187	27%	0.266	C	S	.	.			trans	-137	165.2	172.9	73	61.4	0	0	0	110.2	R49 E145 D146 F226	R49-N143 PolarHBondContact NH2-ND2 2.62Å; N143-E145 PolarHBondContact O-N 3.41Å; N143-E145 VanDerWaalsContact OD1-CA 3.31Å; N143-E145 WeakPolarHBondContact OD1-CA 3.36Å; N143-E145 WeakPolarHBondContact OD1-CB 3.5Å; N143-E145 PolarHBondContact OD1-N 2.83Å; N143-D146 PolarHBondContact N-OD2 2.94Å; N143-D146 PolarHBondContact ND2-OD1 2.92Å; N143-D146 PolarHBondContact ND2-OD2 2.85Å; N143-D146 WeakPolarHBondContact O-CB 3.19Å; N143-D146 PolarHBondContact O-N 3.4Å; N143-D146 PolarHBondContact OD1-N 2.86Å; N143-F226 WeakPolarHBondContact O-CE1 3.42Å
144	S	92.3	Very high	96.7	Very high	97 Å²	97	56.7 Å²	56.7	68%	0.678	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.2	-175.9	51.3	0	0	0	0	115.8
145	E	94.1	Very high	96.6	Very high	167 Å²	167	60.7 Å²	60.7	78%	0.78	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-9	177	-54.3	-178.7	172.9	0	0	112.1	N143	N143-E145 PolarHBondContact O-N 3.41Å; N143-E145 VanDerWaalsContact OD1-CA 3.31Å; N143-E145 WeakPolarHBondContact OD1-CA 3.36Å; N143-E145 WeakPolarHBondContact OD1-CB 3.5Å; N143-E145 PolarHBondContact OD1-N 2.83Å
146	D	95.2	Very high	96.4	Very high	29 Å²	29	60.7 Å²	60.7	16%	0.155	30%	0.3	C	S	.	.			trans	-61.9	148.9	-178.7	-74.6	-35.9	0	0	0	112.3	R49 W142 N143 P224 F226	R49-D146 IonicContact CZ-OD1 3.58Å; R49-D146 IonicContact CZ-OD2 2.99Å; R49-D146 VanDerWaalsContact NH1-CG 3.32Å; R49-D146 IonicContact NH1-OD1 3.24Å; R49-D146 PolarHBondContact NH1-OD1 3.4Å; R49-D146 IonicContact NH1-OD2 3.24Å; R49-D146 PolarHBondContact NH1-OD2 3.14Å; R49-D146 IonicContact NH2-OD2 3.68Å; R49-D146 PolarHBondContact NH2-OD2 2.89Å; W142-D146 WeakPolarHBondContact CA-OD2 3.4Å; N143-D146 PolarHBondContact N-OD2 2.94Å; N143-D146 PolarHBondContact ND2-OD1 2.92Å; N143-D146 PolarHBondContact ND2-OD2 2.85Å; N143-D146 WeakPolarHBondContact O-CB 3.19Å; N143-D146 PolarHBondContact O-N 3.4Å; N143-D146 PolarHBondContact OD1-N 2.86Å; D146-P224 HydrophobicContact CB-CB 4.19Å; D146-P224 HydrophobicContact CB-CG 4.23Å; D146-F226 HydrophobicContact CB-CZ 4.41Å; D146-F226 WeakPolarHBondContact O-CZ 3.46Å
147	Q	97.1	Very high	96	Very high	150 Å²	150	67.5 Å²	67.5	70%	0.701	34%	0.343	S	S	*	.			trans	-126.2	170	179.2	-57	-173.6	23	0	0	109.7	Q149	Q147-Q149 PolarHBondContact O-N 2.85Å
148	V	97.6	Very high	95.6	Very high	25 Å²	25	70.1 Å²	70.1	15%	0.152	37%	0.365	C	S	.	.			trans	-60.9	121	172.5	-174.5	0	0	0	0	108.7	I150 K208 I221 T222 I223 L227	V148-I150 HydrophobicContact CG1-CG1 4.09Å; V148-K208 HydrophobicContact CG2-CB 4.09Å; V148-K208 HydrophobicContact CG2-CD 4.09Å; V148-I221 HydrophobicContact CG1-CG2 3.52Å; V148-T222 WeakPolarHBondContact CA-O 3.42Å; V148-I223 HydrophobicContact CG1-CG1 4.3Å; V148-L227 HydrophobicContact CG2-CD1 3.72Å
149	Q	97.4	Very high	95.2	Very high	114 Å²	114	72.3 Å²	72.3	53%	0.533	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.4	174.7	-52.9	-175.9	-1.1	0	0	108.2	Q147 I221 T222	Q147-Q149 PolarHBondContact O-N 2.85Å; Q149-I221 WeakPolarHBondContact O-CA 3.44Å; Q149-T222 PolarHBondContact N-O 3.09Å; Q149-T222 PolarHBondContact O-N 2.89Å
150	I	98.1	Very high	94.8	Very high	80 Å²	80	77.1 Å²	77.1	41%	0.41	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	-177.6	-53.7	175.3	0	0	0	108.3	V148 R219 I220	V148-I150 HydrophobicContact CG1-CG1 4.09Å; I150-R219 HydrophobicContact CG2-CG 4.26Å; I150-I220 WeakPolarHBondContact CA-O 3.29Å
151	H	97.3	Very high	94.5	Very high	115 Å²	115	81.1 Å²	81.1	53%	0.532	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	93.6	177	-179.8	73	0	0	0	110.4	Y153 R219 I220	H151-Y153 PolarHBondContact O-N 3Å; H151-R219 CarbonylContact O-C 3.4Å; H151-R219 VanDerWaalsContact O-CA 3.26Å; H151-R219 WeakPolarHBondContact O-CA 3.11Å; H151-R219 WeakPolarHBondContact O-CB 3.46Å; H151-I220 HydrophobicContact CB-CB 4.45Å; H151-I220 PolarHBondContact N-O 3.22Å; H151-I220 PolarHBondContact O-N 3.38Å
152	T	97.9	Very high	94.4	Very high	54 Å²	54	82.8 Å²	82.8	33%	0.331	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	106.9	171.5	-59.7	0	0	0	0	110.1	F154 K155 E217 R219	T152-F154 WeakPolarHBondContact CG2-O 3.31Å; T152-K155 HydrophobicContact CG2-CB 4.08Å; T152-E217 HydrophobicContact CG2-CG 3.56Å; T152-E217 VanDerWaalsContact CG2-OE1 3.28Å; T152-E217 WeakPolarHBondContact CG2-OE1 3.36Å; T152-E217 PolarHBondContact OG1-OE1 3.43Å; T152-R219 HydrophobicContact CG2-CB 4.5Å; T152-R219 WeakPolarHBondContact OG1-CD 3.44Å
153	Y	97.4	Very high	94.5	Very high	105 Å²	105	82 Å²	82	41%	0.412	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-18.3	178.5	63.5	-96.9	0	0	0	113	H151 K218 I220 D247	H151-Y153 PolarHBondContact O-N 3Å; Y153-K218 HydrophobicContact CD2-CB 4.41Å; Y153-K218 HydrophobicContact CE1-CB 4.03Å; Y153-K218 HydrophobicContact CE2-CB 3.65Å; Y153-K218 HydrophobicContact CE2-CD 4.06Å; Y153-K218 HydrophobicContact CE2-CG 4.5Å; Y153-K218 VanDerWaalsContact CZ-CB 3.45Å; Y153-K218 PolarHBondContact N-O 3.15Å; Y153-K218 WeakPolarHBondContact OH-CB 3.45Å; Y153-I220 HydrophobicContact CD1-CG1 4.11Å; Y153-I220 HydrophobicContact CE1-CG1 4Å; Y153-D247 WeakPolarHBondContact CE1-OD1 3.28Å; Y153-D247 VanDerWaalsContact CZ-OD1 3.32Å; Y153-D247 PolarHBondContact OH-OD1 3.41Å
154	F	97.3	Very high	94.5	Very high	103 Å²	103	85.3 Å²	85.3	45%	0.452	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132	171.5	179.2	-97	0	0	0	110.7	T152 G216 E217 K218	T152-F154 WeakPolarHBondContact CG2-O 3.31Å; F154-G216 VanDerWaalsContact CD1-O 3.23Å; F154-G216 WeakPolarHBondContact CD1-O 3.16Å; F154-G216 WeakPolarHBondContact CE1-O 3.48Å; F154-E217 WeakPolarHBondContact O-CA 3.49Å; F154-E217 VanDerWaalsContact O-CG 3.27Å; F154-E217 WeakPolarHBondContact O-CG 2.98Å; F154-K218 HydrophobicContact CB-CB 4.14Å; F154-K218 HydrophobicContact CB-CG 4.38Å; F154-K218 HydrophobicContact CD1-CG 4.2Å; F154-K218 PolarHBondContact N-O 3.21Å; F154-K218 PolarHBondContact O-N 3.41Å
155	K	95.6	Very high	94.7	Very high	97 Å²	97	84.5 Å²	84.5	42%	0.422	44%	0.44	S	S	.	.			trans	-134.7	134.4	172.8	-163.1	175.1	-179.2	92.6	0	109.1	T152 C159 E217	T152-K155 HydrophobicContact CG2-CB 4.08Å; K155-C159 WeakPolarHBondContact CE-SG 3.33Å; K155-E217 HydrophobicContact CB-CG 4.3Å; K155-E217 HydrophobicContact CG-CG 4.09Å; K155-E217 IonicContact NZ-OE2 3.33Å; K155-E217 PolarHBondContact NZ-OE2 3.04Å
156	P	93.1	Very high	94.7	Very high	24 Å²	24	78.7 Å²	78.7	16%	0.156	42%	0.418	C	S	.	.			trans	-64.6	153.3	-179.5	28.8	-39.5	0	0	0	111.9	S158 V215	P156-S158 WeakPolarHBondContact CB-O 3.12Å; P156-S158 VanDerWaalsContact CG-O 3.31Å; P156-S158 WeakPolarHBondContact CG-O 3.47Å; P156-S158 PolarHBondContact O-N 3.27Å; P156-V215 WeakPolarHBondContact CG-O 3.31Å
157	P	91.6	Very high	94.8	Very high	145 Å²	145	77.5 Å²	77.5	94%	0.942	41%	0.411	S	S	*	.	S	Bend	trans	-63	-25.2	177.7	-23.6	34.4	0	0	0	114.5
158	S	87.8	Confident	94.8	Very high	85 Å²	85	71.3 Å²	71.3	59%	0.594	38%	0.382	S	S	*	.			trans	-116.6	134.4	172.1	-173.1	0	0	0	0	109.5	P156	P156-S158 WeakPolarHBondContact CB-O 3.12Å; P156-S158 VanDerWaalsContact CG-O 3.31Å; P156-S158 WeakPolarHBondContact CG-O 3.47Å; P156-S158 PolarHBondContact O-N 3.27Å
159	C	89.3	Confident	94.7	Very high	45 Å²	45	70.1 Å²	70.1	30%	0.304	38%	0.375	S	S	.	.			trans	-143.7	64	-173.7	-176.2	0	0	0	0	108.6	K155 R161 C214	K155-C159 WeakPolarHBondContact CE-SG 3.33Å; C159-R161 VanDerWaalsContact C-N 3.34Å; C159-R161 PolarHBondContact O-N 2.79Å; C159-C214 HydrophobicContact CB-CB 4.05Å; C159-C214 WeakPolarHBondContact CB-SG 3.04Å; C159-C214 WeakPolarHBondContact SG-CB 3.34Å; C159-C214 CovalentContact SG-SG 2.04Å; C159-C214 PolarHBondContact SG-SG 3.11Å
160	P	87.1	Confident	94.6	Very high	125 Å²	125	65 Å²	65	81%	0.812	35%	0.351	S	S	*	.			trans	-73.4	-23.8	-165.4	29.8	-36.2	0	0	0	113.8
161	R	90.2	Very high	94.6	Very high	84 Å²	84	61.4 Å²	61.4	32%	0.317	33%	0.332	S	S	.	.			trans	-137.5	144.9	174.2	179.1	-172.5	-179.6	157	5.5	108.4	C159 D167 C214 L253 D258	C159-R161 VanDerWaalsContact C-N 3.34Å; C159-R161 PolarHBondContact O-N 2.79Å; R161-D167 IonicContact CZ-OD1 3.97Å; R161-D167 IonicContact CZ-OD2 3.89Å; R161-D167 IonicContact NE-OD2 3.47Å; R161-D167 VanDerWaalsContact NH2-CG 3.27Å; R161-D167 IonicContact NH2-OD1 2.66Å; R161-D167 PolarHBondContact NH2-OD1 2.85Å; R161-D167 IonicContact NH2-OD2 3.55Å; R161-D167 PolarHBondContact NH2-OD2 2.86Å; R161-C214 WeakPolarHBondContact O-CB 3.3Å; R161-L253 HydrophobicContact CG-CD2 3.88Å; R161-D258 IonicContact CZ-OD2 3.9Å; R161-D258 IonicContact NH1-OD1 3.69Å; R161-D258 IonicContact NH1-OD2 2.71Å; R161-D258 PolarHBondContact NH1-OD2 3.36Å; R161-D258 IonicContact NH2-OD1 3.27Å; R161-D258 IonicContact NH2-OD2 3.41Å; R161-D258 PolarHBondContact NH2-OD2 2.85Å
162	T	95.8	Very high	94.6	Very high	42 Å²	42	57.8 Å²	57.8	26%	0.258	32%	0.315	S	S	.	.			trans	-118.7	154.3	167.8	55.4	0	0	0	0	111	Q164 G212 M213 C214	T162-Q164 PolarHBondContact O-N 3.22Å; T162-Q164 PolarHBondContact O-NE2 3.22Å; T162-Q164 PolarHBondContact OG1-NE2 3.29Å; T162-G212 WeakPolarHBondContact CG2-O 3.34Å; T162-M213 CarbonylContact C-O 3.6Å; T162-M213 WeakPolarHBondContact CA-O 3.43Å; T162-M213 WeakPolarHBondContact CB-O 3.31Å; T162-C214 HydrophobicContact CG2-CB 4.02Å
163	I	97.2	Very high	94.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-52.5	122.2	179.3	-64	176.5	0	0	0	110.4	V169 V197 L210 L211 G212 M213 L250 L253	I163-V169 HydrophobicContact CD1-CB 4.49Å; I163-V169 HydrophobicContact CD1-CG1 3.58Å; I163-V169 HydrophobicContact CG1-CG1 3.82Å; I163-V169 HydrophobicContact CG2-CG1 4.27Å; I163-V197 HydrophobicContact CG2-CB 3.75Å; I163-V197 HydrophobicContact CG2-CG1 3.82Å; I163-V197 HydrophobicContact CG2-CG2 3.93Å; I163-L210 HydrophobicContact CD1-CB 4.2Å; I163-L210 VanDerWaalsContact CD1-O 3.29Å; I163-L210 WeakPolarHBondContact CD1-O 3.39Å; I163-L211 HydrophobicContact CG2-CD2 4.35Å; I163-G212 PolarHBondContact O-N 2.88Å; I163-M213 HydrophobicContact CD1-CB 3.89Å; I163-M213 HydrophobicContact CG1-CB 4.33Å; I163-M213 PolarHBondContact N-O 2.87Å; I163-L250 HydrophobicContact CD1-CD1 4.04Å; I163-L250 HydrophobicContact CD1-CD2 3.63Å; I163-L250 HydrophobicContact CD1-CG 4.49Å; I163-L250 HydrophobicContact CG1-CD2 3.86Å; I163-L253 HydrophobicContact CG1-CD1 4Å; I163-L253 HydrophobicContact CG1-CD2 4.06Å
164	Q	96.3	Very high	94.6	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-102.6	171.1	168.5	-55.3	-52.2	-57	0	0	111.5	T162 D167	T162-Q164 PolarHBondContact O-N 3.22Å; T162-Q164 PolarHBondContact O-NE2 3.22Å; T162-Q164 PolarHBondContact OG1-NE2 3.29Å; Q164-D167 PolarHBondContact N-OD2 3.2Å; Q164-D167 WeakPolarHBondContact O-CB 3.45Å; Q164-D167 PolarHBondContact O-N 2.94Å
165	V	95.9	Very high	94.6	Very high	80 Å²	80	48.4 Å²	48.4	49%	0.485	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138.1	170.3	174.9	0	0	0	0	110.1	D167 G198 I199 L211	V165-D167 VanDerWaalsContact C-N 3.26Å; V165-D167 PolarHBondContact O-N 2.92Å; V165-G198 WeakPolarHBondContact CG1-O 3.23Å; V165-I199 HydrophobicContact CG1-CG2 4.04Å; V165-L211 HydrophobicContact CG2-CD2 3.97Å
166	S	94.6	Very high	94.7	Very high	45 Å²	45	45.2 Å²	45.2	32%	0.315	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	4.8	-174.7	76.6	0	0	0	0	116.6	V197 N255	S166-V197 PolarHBondContact N-O 3.39Å; S166-N255 PolarHBondContact O-ND2 2.81Å; S166-N255 PolarHBondContact OG-ND2 3.43Å
167	D	96.6	Very high	94.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	26%	0.259	C	S	.	.			trans	-71.7	141.4	168	-75.6	-14.9	0	0	0	111	R161 Q164 V165 Y196 V197 L253 H254 N255	R161-D167 IonicContact CZ-OD1 3.97Å; R161-D167 IonicContact CZ-OD2 3.89Å; R161-D167 IonicContact NE-OD2 3.47Å; R161-D167 VanDerWaalsContact NH2-CG 3.27Å; R161-D167 IonicContact NH2-OD1 2.66Å; R161-D167 PolarHBondContact NH2-OD1 2.85Å; R161-D167 IonicContact NH2-OD2 3.55Å; R161-D167 PolarHBondContact NH2-OD2 2.86Å; Q164-D167 PolarHBondContact N-OD2 3.2Å; Q164-D167 WeakPolarHBondContact O-CB 3.45Å; Q164-D167 PolarHBondContact O-N 2.94Å; V165-D167 VanDerWaalsContact C-N 3.26Å; V165-D167 PolarHBondContact O-N 2.92Å; D167-Y196 WeakPolarHBondContact O-CA 3.26Å; D167-V197 PolarHBondContact O-N 2.87Å; D167-L253 HydrophobicContact CB-CD1 3.55Å; D167-L253 WeakPolarHBondContact OD2-CD1 3.41Å; D167-H254 CarbonylContact C-O 3.55Å; D167-H254 WeakPolarHBondContact CA-O 3.3Å; D167-N255 WeakPolarHBondContact OD1-CB 3.2Å; D167-N255 PolarHBondContact OD1-ND2 2.94Å
168	F	96.1	Very high	95.1	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.088	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.2	168.5	-174.6	-84.2	0	0	0	109.9	R170 D194 T195 Y196 L253 H254 S352	F168-R170 HydrophobicContact CD1-CG 4.47Å; F168-R170 HydrophobicContact CE1-CG 3.82Å; F168-D194 HydrophobicContact CE1-CB 4.21Å; F168-D194 HydrophobicContact CE2-CB 4.5Å; F168-D194 HydrophobicContact CZ-CB 3.71Å; F168-T195 CarbonylContact C-O 3.59Å; F168-T195 WeakPolarHBondContact CA-O 3.02Å; F168-Y196 HydrophobicContact CB-CD1 3.97Å; F168-Y196 HydrophobicContact CB-CE1 3.77Å; F168-Y196 HydrophobicContact CD2-CD1 4.24Å; F168-Y196 HydrophobicContact CD2-CD2 4.2Å; F168-Y196 AromaticContact CD2-CE1 3.9Å; F168-Y196 HydrophobicContact CD2-CE1 3.9Å; F168-Y196 AromaticContact CD2-CE2 3.85Å; F168-Y196 HydrophobicContact CD2-CE2 3.85Å; F168-Y196 HydrophobicContact CD2-CG 4.38Å; F168-Y196 AromaticContact CD2-CZ 3.7Å; F168-Y196 HydrophobicContact CE2-CE2 4.4Å; F168-Y196 HydrophobicContact CG-CE1 4.35Å; F168-L253 WeakPolarHBondContact O-CA 3.41Å; F168-H254 AromaticContact CD1-CE1 3.25Å; F168-H254 WeakPolarHBondContact CD1-CE1 3.45Å; F168-H254 AromaticContact CD1-ND1 3.81Å; F168-H254 AromaticContact CE1-CE1 4Å; F168-H254 AromaticContact CG-CE1 3.67Å; F168-H254 PolarHBondContact N-O 3.02Å; F168-H254 PolarHBondContact O-N 3.19Å; F168-S352 VanDerWaalsContact CE1-CB 3.48Å
169	V	96.7	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.4	-175	-62.6	0	0	0	0	111.5	I163 Y171 D194 T195 V197 L250 D252 L253	I163-V169 HydrophobicContact CD1-CB 4.49Å; I163-V169 HydrophobicContact CD1-CG1 3.58Å; I163-V169 HydrophobicContact CG1-CG1 3.82Å; I163-V169 HydrophobicContact CG2-CG1 4.27Å; V169-Y171 HydrophobicContact CB-CD1 4.49Å; V169-Y171 HydrophobicContact CG2-CD1 3.79Å; V169-Y171 HydrophobicContact CG2-CE1 3.91Å; V169-D194 WeakPolarHBondContact O-CA 3.48Å; V169-T195 HydrophobicContact CG2-CG2 3.77Å; V169-T195 WeakPolarHBondContact CG2-O 3.47Å; V169-T195 PolarHBondContact N-O 2.91Å; V169-T195 PolarHBondContact O-N 3.21Å; V169-T195 VanDerWaalsContact O-N 3.14Å; V169-V197 HydrophobicContact CB-CG2 4.32Å; V169-V197 HydrophobicContact CG1-CG2 3.78Å; V169-V197 HydrophobicContact CG2-CG2 3.52Å; V169-L250 HydrophobicContact CB-CD1 3.95Å; V169-L250 HydrophobicContact CG1-CD1 4.27Å; V169-D252 WeakPolarHBondContact CA-O 3.48Å; V169-L253 HydrophobicContact CG1-CD1 4.05Å
170	R	95.9	Very high	95.4	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.3	166.7	-53.8	-171.3	-59.9	168.5	7.1	108.8	F168 T192 Y193 D194 L251 D252 P350 G351 S352 A353	F168-R170 HydrophobicContact CD1-CG 4.47Å; F168-R170 HydrophobicContact CE1-CG 3.82Å; R170-T192 HydrophobicContact CB-CG2 4.24Å; R170-Y193 WeakPolarHBondContact CA-O 3.2Å; R170-D194 HydrophobicContact CG-CB 4.43Å; R170-D194 WeakPolarHBondContact CG-OD1 3.35Å; R170-L251 PolarHBondContact O-N 2.68Å; R170-D252 HydrophobicContact CB-CB 3.88Å; R170-D252 HydrophobicContact CG-CB 4.1Å; R170-D252 IonicContact CZ-OD2 3.9Å; R170-D252 VanDerWaalsContact CZ-OD2 3.31Å; R170-D252 PolarHBondContact N-O 2.95Å; R170-D252 VanDerWaalsContact N-O 3.07Å; R170-D252 IonicContact NE-OD2 3.67Å; R170-D252 PolarHBondContact NE-OD2 3.02Å; R170-D252 IonicContact NH2-OD2 2.7Å; R170-D252 PolarHBondContact NH2-OD2 2.64Å; R170-D252 PolarHBondContact O-N 3.23Å; R170-D252 VanDerWaalsContact O-N 3.09Å; R170-P350 PolarHBondContact NH1-O 3.3Å; R170-P350 VanDerWaalsContact NH1-O 3.08Å; R170-G351 WeakPolarHBondContact CD-O 3.37Å; R170-G351 PolarHBondContact NH1-O 3.31Å; R170-S352 PolarHBondContact NE-O 2.83Å; R170-A353 VanDerWaalsContact CZ-CA 3.47Å; R170-A353 VanDerWaalsContact NH2-CB 3.34Å
171	Y	96.9	Very high	95.8	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.6	-179.4	62.2	-88.5	0	0	0	112.5	V169 Y173 T192 Y193 T195 M206 L210 V248 A249	V169-Y171 HydrophobicContact CB-CD1 4.49Å; V169-Y171 HydrophobicContact CG2-CD1 3.79Å; V169-Y171 HydrophobicContact CG2-CE1 3.91Å; Y171-Y173 AromaticContact CD2-CD1 3.86Å; Y171-Y173 HydrophobicContact CD2-CD1 3.86Å; Y171-Y173 AromaticContact CE2-CD1 3.44Å; Y171-Y173 HydrophobicContact CE2-CD1 3.44Å; Y171-Y173 VanDerWaalsContact CE2-CD1 3.44Å; Y171-Y173 HydrophobicContact CE2-CE1 4.1Å; Y171-Y173 HydrophobicContact CE2-CG 4.2Å; Y171-T192 WeakPolarHBondContact O-CA 3.41Å; Y171-Y193 AromaticContact CE1-CD1 3.96Å; Y171-Y193 HydrophobicContact CE1-CD1 3.96Å; Y171-Y193 AromaticContact CZ-CD1 3.72Å; Y171-Y193 PolarHBondContact N-O 3.18Å; Y171-Y193 PolarHBondContact O-N 2.71Å; Y171-Y193 WeakPolarHBondContact OH-CD1 3.44Å; Y171-T195 HydrophobicContact CE1-CG2 3.88Å; Y171-M206 HydrophobicContact CE2-CE 4.07Å; Y171-L210 HydrophobicContact CD1-CD1 4.35Å; Y171-L210 HydrophobicContact CE1-CD1 3.66Å; Y171-L210 HydrophobicContact CE1-CD2 4.49Å; Y171-V248 HydrophobicContact CD2-CG1 3.71Å; Y171-V248 HydrophobicContact CE2-CG1 4.43Å; Y171-V248 HydrophobicContact CG-CG1 4.09Å; Y171-A249 WeakPolarHBondContact CA-O 3.32Å; Y171-A249 WeakPolarHBondContact CB-O 3.49Å
172	H	97.4	Very high	96	Very high	39 Å²	39	35.7 Å²	35.7	18%	0.181	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	148.1	161.4	-85.9	-51.4	0	0	0	110.3	S186 H187 K191 V248 A249	H172-S186 WeakPolarHBondContact CA-OG 3.42Å; H172-S186 PolarHBondContact ND1-OG 2.89Å; H172-H187 VanDerWaalsContact CB-CE1 3.47Å; H172-H187 WeakPolarHBondContact CB-CE1 3.28Å; H172-H187 AromaticContact CD2-CE1 3.56Å; H172-H187 AromaticContact CD2-ND1 3.85Å; H172-H187 AromaticContact CE1-ND1 3.88Å; H172-H187 AromaticContact CG-CE1 3.36Å; H172-H187 AromaticContact CG-ND1 3.71Å; H172-H187 AromaticContact CG-NE2 3.98Å; H172-H187 AromaticContact ND1-CE1 3.84Å; H172-H187 AromaticContact ND1-ND1 3.72Å; H172-H187 AromaticContact NE2-ND1 3.96Å; H172-K191 PolarHBondContact CE1-O 2.62Å; H172-V248 WeakPolarHBondContact O-CA 3.46Å; H172-A249 PolarHBondContact N-O 2.71Å; H172-A249 PolarHBondContact O-N 2.92Å
173	Y	97.9	Very high	96	Very high	14 Å²	14	35.8 Å²	35.8	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159	170.4	70.2	-90.6	0	0	0	113.7	Y171 D184 S185 S186 R189 Y193 F246 D247	Y171-Y173 AromaticContact CD2-CD1 3.86Å; Y171-Y173 HydrophobicContact CD2-CD1 3.86Å; Y171-Y173 AromaticContact CE2-CD1 3.44Å; Y171-Y173 HydrophobicContact CE2-CD1 3.44Å; Y171-Y173 VanDerWaalsContact CE2-CD1 3.44Å; Y171-Y173 HydrophobicContact CE2-CE1 4.1Å; Y171-Y173 HydrophobicContact CE2-CG 4.2Å; Y173-D184 HydrophobicContact CE2-CB 4.44Å; Y173-D184 VanDerWaalsContact CE2-OD2 3.3Å; Y173-D184 WeakPolarHBondContact CE2-OD2 3.36Å; Y173-D184 VanDerWaalsContact CZ-OD2 3.28Å; Y173-D184 PolarHBondContact OH-OD2 2.76Å; Y173-S185 PolarHBondContact O-OG 3.02Å; Y173-S186 PolarHBondContact N-OG 2.99Å; Y173-S186 PolarHBondContact O-N 2.87Å; Y173-S186 PolarHBondContact O-OG 2.8Å; Y173-R189 PolarHBondContact OH-NH2 2.8Å; Y173-Y193 AromaticContact CE1-CD2 3.68Å; Y173-Y193 HydrophobicContact CE1-CD2 3.68Å; Y173-Y193 AromaticContact CE1-CG 3.86Å; Y173-Y193 HydrophobicContact CE1-CG 3.86Å; Y173-F246 AromaticContact CD2-CD1 3.68Å; Y173-F246 HydrophobicContact CD2-CD1 3.68Å; Y173-F246 AromaticContact CD2-CE1 3.96Å; Y173-F246 HydrophobicContact CD2-CE1 3.96Å; Y173-F246 HydrophobicContact CE2-CD1 4.16Å; Y173-F246 AromaticContact CE2-CE1 3.94Å; Y173-F246 HydrophobicContact CE2-CE1 3.94Å; Y173-F246 HydrophobicContact CG-CD1 4.25Å; Y173-D247 CarbonylContact C-O 3.57Å; Y173-D247 WeakPolarHBondContact CA-O 3.35Å; Y173-D247 WeakPolarHBondContact CB-O 3.44Å
174	N	98.1	Very high	95.9	Very high	50 Å²	50	38 Å²	38	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.2	157.3	-62	-52.4	0	0	0	108.8	L182 S185 F246 D247	N174-L182 HydrophobicContact CB-CD1 4.06Å; N174-S185 WeakPolarHBondContact OD1-CB 3.43Å; N174-S185 PolarHBondContact OD1-OG 2.8Å; N174-F246 WeakPolarHBondContact O-CA 3.42Å; N174-D247 PolarHBondContact N-O 3.13Å; N174-D247 PolarHBondContact O-N 2.62Å
175	G	97.7	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.4	178	0	0	0	0	0	111.5	L182 F183 D184 V245	G175-L182 WeakPolarHBondContact O-CD1 3.11Å; G175-F183 VanDerWaalsContact O-CD1 3.28Å; G175-F183 WeakPolarHBondContact O-CD1 3.39Å; G175-F183 PolarHBondContact O-N 2.66Å; G175-D184 PolarHBondContact N-O 2.95Å; G175-D184 PolarHBondContact O-N 2.99Å; G175-V245 CarbonylContact C-O 3.59Å; G175-V245 WeakPolarHBondContact CA-O 3.4Å
176	T	97.6	Very high	95.9	Very high	31 Å²	31	29.3 Å²	29.3	19%	0.19	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.1	176.3	73.9	0	0	0	0	111.6	T181 L182 F183 V245	T176-T181 CarbonylContact C-O 3.56Å; T176-T181 WeakPolarHBondContact CA-O 3.49Å; T176-T181 WeakPolarHBondContact CB-O 3.45Å; T176-L182 HydrophobicContact CG2-CB 4.37Å; T176-L182 HydrophobicContact CG2-CD1 3.98Å; T176-F183 WeakPolarHBondContact O-CE1 3.35Å; T176-V245 PolarHBondContact N-O 3.05Å; T176-V245 PolarHBondContact O-N 2.87Å
177	F	96.6	Very high	95.9	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	175.9	160.5	-53.6	-62.3	0	0	0	110.8	D179 G180 T181 F183 D237 I238 A242 L244	F177-D179 WeakPolarHBondContact CB-OD1 3.47Å; F177-D179 PolarHBondContact O-N 2.81Å; F177-G180 PolarHBondContact O-N 3.31Å; F177-G180 VanDerWaalsContact O-N 3.09Å; F177-T181 HydrophobicContact CD2-CG2 4.3Å; F177-T181 PolarHBondContact N-O 2.79Å; F177-F183 HydrophobicContact CD1-CD1 4.2Å; F177-F183 AromaticContact CE1-CD1 3.8Å; F177-F183 HydrophobicContact CE1-CD1 3.8Å; F177-F183 HydrophobicContact CE1-CE1 4.27Å; F177-F183 HydrophobicContact CE1-CG 4.43Å; F177-F183 HydrophobicContact CE2-CB 4Å; F177-F183 HydrophobicContact CE2-CD1 4.14Å; F177-F183 HydrophobicContact CE2-CG 4.47Å; F177-F183 HydrophobicContact CZ-CB 3.87Å; F177-F183 AromaticContact CZ-CD1 3.74Å; F177-F183 HydrophobicContact CZ-CD1 3.74Å; F177-F183 HydrophobicContact CZ-CG 4.02Å; F177-D237 WeakPolarHBondContact CZ-O 3.16Å; F177-I238 HydrophobicContact CE1-CG1 4.48Å; F177-I238 HydrophobicContact CE1-CG2 4.36Å; F177-I238 HydrophobicContact CZ-CG1 4.39Å; F177-A242 HydrophobicContact CD1-CB 3.98Å; F177-A242 HydrophobicContact CE1-CB 3.93Å; F177-L244 HydrophobicContact CD1-CD2 3.84Å; F177-L244 HydrophobicContact CE1-CD2 3.62Å
178	L	94.9	Very high	95.7	Very high	52 Å²	52	37.1 Å²	37.1	27%	0.272	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17	178.6	-69.2	174.2	0	0	0	114.4	V103 D140 I141 G180 T222 V245	V103-L178 HydrophobicContact CG1-CB 3.9Å; V103-L178 WeakPolarHBondContact CG1-O 3.4Å; V103-L178 HydrophobicContact CG2-CB 4.22Å; V103-L178 HydrophobicContact CG2-CD1 4.4Å; D140-L178 WeakPolarHBondContact OD1-CD1 3.49Å; I141-L178 HydrophobicContact CG2-CD1 4.41Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-T222 HydrophobicContact CD2-CG2 3.82Å; L178-V245 HydrophobicContact CD2-CG2 3.73Å; L178-V245 HydrophobicContact CG-CG2 4.44Å
179	D	92	Very high	95.5	Very high	29 Å²	29	42.1 Å²	42.1	16%	0.155	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.3	175.4	69.7	-15.8	0	0	0	113.4	V103 N104 M139 F177 T181	V103-D179 HydrophobicContact CG1-CB 4.1Å; N104-D179 HydrophobicContact CB-CB 4.33Å; N104-D179 PolarHBondContact ND2-O 3.49Å; M139-D179 VanDerWaalsContact CE-OD2 3.23Å; M139-D179 WeakPolarHBondContact CE-OD2 3.35Å; F177-D179 WeakPolarHBondContact CB-OD1 3.47Å; F177-D179 PolarHBondContact O-N 2.81Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 PolarHBondContact OD1-N 2.9Å; D179-T181 PolarHBondContact OD1-OG1 3.48Å; D179-T181 PolarHBondContact OD2-OG1 3.07Å
180	G	92.8	Very high	95.1	Very high	51 Å²	51	50.5 Å²	50.5	53%	0.526	26%	0.264	S	S	.	.	S	Bend	trans	91.6	-1.3	-174.7	0	0	0	0	0	114.8	F177 L178 L182	F177-G180 PolarHBondContact O-N 3.31Å; F177-G180 VanDerWaalsContact O-N 3.09Å; L178-G180 VanDerWaalsContact C-N 3.33Å; G180-L182 PolarHBondContact O-N 3.29Å
181	T	93.8	Very high	94.9	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	29%	0.289	S	S	.	.			trans	-68.8	117.5	178.6	-63	0	0	0	0	110.4	T176 F177 D179	T176-T181 CarbonylContact C-O 3.56Å; T176-T181 WeakPolarHBondContact CA-O 3.49Å; T176-T181 WeakPolarHBondContact CB-O 3.45Å; F177-T181 HydrophobicContact CD2-CG2 4.3Å; F177-T181 PolarHBondContact N-O 2.79Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 PolarHBondContact OD1-N 2.9Å; D179-T181 PolarHBondContact OD1-OG1 3.48Å; D179-T181 PolarHBondContact OD2-OG1 3.07Å
182	L	96.2	Very high	94.7	Very high	86 Å²	86	57.3 Å²	57.3	45%	0.45	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.8	177.4	-172.3	82.4	0	0	0	111.2	N174 G175 T176 G180 D184	N174-L182 HydrophobicContact CB-CD1 4.06Å; G175-L182 WeakPolarHBondContact O-CD1 3.11Å; T176-L182 HydrophobicContact CG2-CB 4.37Å; T176-L182 HydrophobicContact CG2-CD1 3.98Å; G180-L182 PolarHBondContact O-N 3.29Å; L182-D184 WeakPolarHBondContact CD1-O 3.27Å
183	F	95.3	Very high	94.6	Very high	44 Å²	44	59 Å²	59	19%	0.193	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-31.8	172.2	65.8	-97.5	0	0	0	113.1	G175 T176 F177 I238 L244 F246	G175-F183 VanDerWaalsContact O-CD1 3.28Å; G175-F183 WeakPolarHBondContact O-CD1 3.39Å; G175-F183 PolarHBondContact O-N 2.66Å; T176-F183 WeakPolarHBondContact O-CE1 3.35Å; F177-F183 HydrophobicContact CD1-CD1 4.2Å; F177-F183 AromaticContact CE1-CD1 3.8Å; F177-F183 HydrophobicContact CE1-CD1 3.8Å; F177-F183 HydrophobicContact CE1-CE1 4.27Å; F177-F183 HydrophobicContact CE1-CG 4.43Å; F177-F183 HydrophobicContact CE2-CB 4Å; F177-F183 HydrophobicContact CE2-CD1 4.14Å; F177-F183 HydrophobicContact CE2-CG 4.47Å; F177-F183 HydrophobicContact CZ-CB 3.87Å; F177-F183 AromaticContact CZ-CD1 3.74Å; F177-F183 HydrophobicContact CZ-CD1 3.74Å; F177-F183 HydrophobicContact CZ-CG 4.02Å; F183-I238 HydrophobicContact CD2-CD1 3.89Å; F183-I238 HydrophobicContact CD2-CG1 3.94Å; F183-I238 HydrophobicContact CE2-CD1 3.72Å; F183-I238 HydrophobicContact CE2-CG1 4.24Å; F183-I238 HydrophobicContact CG-CG1 4.26Å; F183-I238 HydrophobicContact CZ-CD1 4.32Å; F183-L244 HydrophobicContact CE1-CB 4.47Å; F183-L244 HydrophobicContact CE1-CD2 3.81Å; F183-L244 HydrophobicContact CZ-CD1 4.13Å; F183-L244 HydrophobicContact CZ-CD2 4.06Å; F183-L244 HydrophobicContact CZ-CG 4.47Å; F183-F246 HydrophobicContact CE2-CE1 4.4Å; F183-F246 HydrophobicContact CE2-CZ 4.31Å; F183-F246 AromaticContact CZ-CE1 3.97Å; F183-F246 HydrophobicContact CZ-CE1 3.97Å; F183-F246 HydrophobicContact CZ-CE2 4.4Å; F183-F246 AromaticContact CZ-CZ 3.73Å; F183-F246 HydrophobicContact CZ-CZ 3.73Å
184	D	94.8	Very high	94.5	Very high	48 Å²	48	60.5 Å²	60.5	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154	178.7	179.4	27.4	0	0	0	111.8	Y173 G175 L182 R189	Y173-D184 HydrophobicContact CE2-CB 4.44Å; Y173-D184 VanDerWaalsContact CE2-OD2 3.3Å; Y173-D184 WeakPolarHBondContact CE2-OD2 3.36Å; Y173-D184 VanDerWaalsContact CZ-OD2 3.28Å; Y173-D184 PolarHBondContact OH-OD2 2.76Å; G175-D184 PolarHBondContact N-O 2.95Å; G175-D184 PolarHBondContact O-N 2.99Å; L182-D184 WeakPolarHBondContact CD1-O 3.27Å; D184-R189 IonicContact OD1-CZ 2.85Å; D184-R189 IonicContact OD1-NE 3.96Å; D184-R189 IonicContact OD1-NH2 2.75Å; D184-R189 PolarHBondContact OD1-NH2 3.42Å; D184-R189 IonicContact OD2-CZ 2.84Å; D184-R189 IonicContact OD2-NH2 2.72Å; D184-R189 PolarHBondContact OD2-NH2 2.83Å
185	S	96.4	Very high	94.3	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	137.4	169	177.5	0	0	0	0	111	Y173 N174 H187 R189	Y173-S185 PolarHBondContact O-OG 3.02Å; N174-S185 WeakPolarHBondContact OD1-CB 3.43Å; N174-S185 PolarHBondContact OD1-OG 2.8Å; S185-H187 VanDerWaalsContact C-N 3.3Å; S185-H187 WeakPolarHBondContact OG-CB 3.39Å; S185-H187 PolarHBondContact OG-N 3.17Å; S185-H187 VanDerWaalsContact OG-N 3.07Å; S185-R189 PolarHBondContact O-NE 3.12Å
186	S	96.7	Very high	94.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	31%	0.313	C	S	.	.	S	Bend	trans	-66.9	-30.8	168.5	64.6	0	0	0	0	112.5	H172 Y173 N188 R189 M190 K191	H172-S186 WeakPolarHBondContact CA-OG 3.42Å; H172-S186 PolarHBondContact ND1-OG 2.89Å; Y173-S186 PolarHBondContact N-OG 2.99Å; Y173-S186 PolarHBondContact O-N 2.87Å; Y173-S186 PolarHBondContact O-OG 2.8Å; S186-N188 PolarHBondContact O-N 3.26Å; S186-R189 PolarHBondContact O-N 2.86Å; S186-R189 VanDerWaalsContact O-N 3.11Å; S186-M190 PolarHBondContact O-N 2.97Å; S186-K191 WeakPolarHBondContact CB-O 3.41Å; S186-K191 VanDerWaalsContact O-O 3.07Å
187	H	93.5	Very high	94.2	Very high	91 Å²	91	60.3 Å²	60.3	42%	0.421	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.3	-38	178.1	-64.1	-68.7	0	0	0	111.5	H172 S185 R189 M190	H172-H187 VanDerWaalsContact CB-CE1 3.47Å; H172-H187 WeakPolarHBondContact CB-CE1 3.28Å; H172-H187 AromaticContact CD2-CE1 3.56Å; H172-H187 AromaticContact CD2-ND1 3.85Å; H172-H187 AromaticContact CE1-ND1 3.88Å; H172-H187 AromaticContact CG-CE1 3.36Å; H172-H187 AromaticContact CG-ND1 3.71Å; H172-H187 AromaticContact CG-NE2 3.98Å; H172-H187 AromaticContact ND1-CE1 3.84Å; H172-H187 AromaticContact ND1-ND1 3.72Å; H172-H187 AromaticContact NE2-ND1 3.96Å; S185-H187 VanDerWaalsContact C-N 3.3Å; S185-H187 WeakPolarHBondContact OG-CB 3.39Å; S185-H187 PolarHBondContact OG-N 3.17Å; S185-H187 VanDerWaalsContact OG-N 3.07Å; H187-R189 PolarHBondContact O-N 3.39Å; H187-M190 PolarHBondContact O-N 3.23Å
188	N	92.8	Very high	94.1	Very high	122 Å²	122	60.8 Å²	60.8	65%	0.652	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24	174.4	-69.5	-8.9	0	0	0	112.8	S186	S186-N188 PolarHBondContact O-N 3.26Å
189	R	91.6	Very high	94	Very high	124 Å²	124	62 Å²	62	47%	0.468	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-94.5	-3.5	176.2	-73.2	176.2	-83.5	154.9	-8.1	113.7	Y173 D184 S185 S186 H187 K191	Y173-R189 PolarHBondContact OH-NH2 2.8Å; D184-R189 IonicContact OD1-CZ 2.85Å; D184-R189 IonicContact OD1-NE 3.96Å; D184-R189 IonicContact OD1-NH2 2.75Å; D184-R189 PolarHBondContact OD1-NH2 3.42Å; D184-R189 IonicContact OD2-CZ 2.84Å; D184-R189 IonicContact OD2-NH2 2.72Å; D184-R189 PolarHBondContact OD2-NH2 2.83Å; S185-R189 PolarHBondContact O-NE 3.12Å; S186-R189 PolarHBondContact O-N 2.86Å; S186-R189 VanDerWaalsContact O-N 3.11Å; H187-R189 PolarHBondContact O-N 3.39Å; R189-K191 PolarHBondContact O-N 2.93Å; R189-K191 VanDerWaalsContact O-N 3.11Å
190	M	88.5	Confident	94	Very high	177 Å²	177	63.5 Å²	63.5	87%	0.872	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	28.7	-175.8	-59.9	179.3	-70.9	0	0	114	S186 H187	S186-M190 PolarHBondContact O-N 2.97Å; H187-M190 PolarHBondContact O-N 3.23Å
191	K	90.8	Very high	94	Very high	128 Å²	128	69.8 Å²	69.8	56%	0.557	35%	0.349	S	S	*	.	S	Bend	trans	-137.6	148.9	177.6	-157.1	-157.6	168.5	-161.7	0	109.8	H172 S186 R189 D194	H172-K191 PolarHBondContact CE1-O 2.62Å; S186-K191 WeakPolarHBondContact CB-O 3.41Å; S186-K191 VanDerWaalsContact O-O 3.07Å; R189-K191 PolarHBondContact O-N 2.93Å; R189-K191 VanDerWaalsContact O-N 3.11Å; K191-D194 WeakPolarHBondContact CE-OD2 3.27Å; K191-D194 IonicContact NZ-OD2 3.84Å; K191-D194 PolarHBondContact NZ-OD2 2.72Å
192	T	93.7	Very high	94	Very high	26 Å²	26	67.3 Å²	67.3	16%	0.16	33%	0.333	C	S	.	.			trans	-60.7	158.4	162.8	43.5	0	0	0	0	111.6	R170 Y171 D194 L251	R170-T192 HydrophobicContact CB-CG2 4.24Å; Y171-T192 WeakPolarHBondContact O-CA 3.41Å; T192-D194 WeakPolarHBondContact CB-OD1 3.2Å; T192-D194 PolarHBondContact OG1-OD1 2.79Å; T192-L251 HydrophobicContact CG2-CD1 3.66Å
193	Y	95.4	Very high	94.1	Very high	76 Å²	76	64.6 Å²	64.6	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.2	159.2	-161.9	-82.5	0	0	0	108.2	R170 Y171 Y173 T195 L202	R170-Y193 WeakPolarHBondContact CA-O 3.2Å; Y171-Y193 AromaticContact CE1-CD1 3.96Å; Y171-Y193 HydrophobicContact CE1-CD1 3.96Å; Y171-Y193 AromaticContact CZ-CD1 3.72Å; Y171-Y193 PolarHBondContact N-O 3.18Å; Y171-Y193 PolarHBondContact O-N 2.71Å; Y171-Y193 WeakPolarHBondContact OH-CD1 3.44Å; Y173-Y193 AromaticContact CE1-CD2 3.68Å; Y173-Y193 HydrophobicContact CE1-CD2 3.68Å; Y173-Y193 AromaticContact CE1-CG 3.86Å; Y173-Y193 HydrophobicContact CE1-CG 3.86Å; Y193-T195 HydrophobicContact CD1-CG2 3.94Å; Y193-T195 HydrophobicContact CE1-CG2 3.9Å; Y193-L202 HydrophobicContact CE1-CD2 3.75Å
194	D	94.8	Very high	94.2	Very high	45 Å²	45	65.7 Å²	65.7	24%	0.241	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.1	-172.8	-42.8	-46.2	0	0	0	108.4	F168 V169 R170 K191 T192	F168-D194 HydrophobicContact CE1-CB 4.21Å; F168-D194 HydrophobicContact CE2-CB 4.5Å; F168-D194 HydrophobicContact CZ-CB 3.71Å; V169-D194 WeakPolarHBondContact O-CA 3.48Å; R170-D194 HydrophobicContact CG-CB 4.43Å; R170-D194 WeakPolarHBondContact CG-OD1 3.35Å; K191-D194 WeakPolarHBondContact CE-OD2 3.27Å; K191-D194 IonicContact NZ-OD2 3.84Å; K191-D194 PolarHBondContact NZ-OD2 2.72Å; T192-D194 WeakPolarHBondContact CB-OD1 3.2Å; T192-D194 PolarHBondContact OG1-OD1 2.79Å
195	T	95.5	Very high	94.3	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	173.2	-170.2	-166.6	0	0	0	0	112.8	F168 V169 Y171 Y193 L202	F168-T195 CarbonylContact C-O 3.59Å; F168-T195 WeakPolarHBondContact CA-O 3.02Å; V169-T195 HydrophobicContact CG2-CG2 3.77Å; V169-T195 WeakPolarHBondContact CG2-O 3.47Å; V169-T195 PolarHBondContact N-O 2.91Å; V169-T195 PolarHBondContact O-N 3.21Å; V169-T195 VanDerWaalsContact O-N 3.14Å; Y171-T195 HydrophobicContact CE1-CG2 3.88Å; Y193-T195 HydrophobicContact CD1-CG2 3.94Å; Y193-T195 HydrophobicContact CE1-CG2 3.9Å; T195-L202 HydrophobicContact CG2-CD1 3.95Å; T195-L202 HydrophobicContact CG2-CD2 4.12Å; T195-L202 HydrophobicContact CG2-CG 4.21Å
196	Y	95.7	Very high	94.4	Very high	68 Å²	68	63.6 Å²	63.6	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.9	172	-68.7	-82.1	0	0	0	111.3	D167 F168 I199 P256	D167-Y196 WeakPolarHBondContact O-CA 3.26Å; F168-Y196 HydrophobicContact CB-CD1 3.97Å; F168-Y196 HydrophobicContact CB-CE1 3.77Å; F168-Y196 HydrophobicContact CD2-CD1 4.24Å; F168-Y196 HydrophobicContact CD2-CD2 4.2Å; F168-Y196 AromaticContact CD2-CE1 3.9Å; F168-Y196 HydrophobicContact CD2-CE1 3.9Å; F168-Y196 AromaticContact CD2-CE2 3.85Å; F168-Y196 HydrophobicContact CD2-CE2 3.85Å; F168-Y196 HydrophobicContact CD2-CG 4.38Å; F168-Y196 AromaticContact CD2-CZ 3.7Å; F168-Y196 HydrophobicContact CE2-CE2 4.4Å; F168-Y196 HydrophobicContact CG-CE1 4.35Å; Y196-I199 HydrophobicContact CG-CD1 4.09Å; Y196-P256 HydrophobicContact CE1-CG 3.66Å
197	V	97	Very high	94.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-98.3	141.4	-176.7	-174.6	0	0	0	0	112.5	I163 S166 D167 V169 I199 L210 L211	I163-V197 HydrophobicContact CG2-CB 3.75Å; I163-V197 HydrophobicContact CG2-CG1 3.82Å; I163-V197 HydrophobicContact CG2-CG2 3.93Å; S166-V197 PolarHBondContact N-O 3.39Å; D167-V197 PolarHBondContact O-N 2.87Å; V169-V197 HydrophobicContact CB-CG2 4.32Å; V169-V197 HydrophobicContact CG1-CG2 3.78Å; V169-V197 HydrophobicContact CG2-CG2 3.52Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.85Å; V197-L210 HydrophobicContact CG1-CB 3.9Å; V197-L210 HydrophobicContact CG2-CB 4.17Å; V197-L210 HydrophobicContact CG2-CD1 3.95Å; V197-L211 HydrophobicContact CG1-CD2 4.16Å; V197-L211 HydrophobicContact CG1-CG 4.04Å
198	G	93.6	Very high	94.6	Very high	26 Å²	26	65.3 Å²	65.3	27%	0.268	33%	0.326	S	S	.	.	S	Bend	trans	78.9	12.2	171.4	0	0	0	0	0	114.6	V165 D207	V165-G198 WeakPolarHBondContact CG1-O 3.23Å; G198-D207 VanDerWaalsContact CA-OD2 3.3Å; G198-D207 WeakPolarHBondContact CA-OD2 3.26Å; G198-D207 PolarHBondContact N-OD1 3.14Å; G198-D207 PolarHBondContact N-OD2 2.82Å
199	I	93.4	Very high	94.8	Very high	78 Å²	78	59.5 Å²	59.5	40%	0.4	30%	0.295	S	S	.	.	S	Bend	trans	-121.3	17.3	-179.3	63.8	156.9	0	0	0	113.3	V165 Y196 V197 D207	V165-I199 HydrophobicContact CG1-CG2 4.04Å; Y196-I199 HydrophobicContact CG-CD1 4.09Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.85Å; I199-D207 PolarHBondContact N-OD2 3.2Å
200	G	92.1	Very high	95.1	Very high	60 Å²	60	53.6 Å²	53.6	62%	0.619	27%	0.272	S	S	*	.	S	Bend	trans	78.6	18.5	171.3	0	0	0	0	0	115.8	D207	G200-D207 PolarHBondContact N-OD2 3.07Å
201	W	91.8	Very high	95.6	Very high	183 Å²	183	48.1 Å²	48.1	69%	0.693	25%	0.246	S	C	*	.	S	Bend	trans	-84.4	-13.3	171.3	-78.1	63.1	0	0	0	113
202	L	95.7	Very high	95.9	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.11	24%	0.236	C	C	.	.	S	Bend	trans	-113.2	163.9	176.6	-67.4	174.6	0	0	0	110.6	Y193 T195 M206 L210	Y193-L202 HydrophobicContact CE1-CD2 3.75Å; T195-L202 HydrophobicContact CG2-CD1 3.95Å; T195-L202 HydrophobicContact CG2-CD2 4.12Å; T195-L202 HydrophobicContact CG2-CG 4.21Å; L202-M206 HydrophobicContact CB-CB 4.12Å; L202-M206 HydrophobicContact CD1-CB 4.17Å; L202-L210 HydrophobicContact CD1-CD1 3.53Å
203	I	96.6	Very high	96	Very high	29 Å²	29	42.3 Å²	42.3	15%	0.149	23%	0.228	C	C	.	.			trans	-55.5	141.8	165.3	55.2	168.9	0	0	0	110.2	G205 M206 D207 I223 A228 Y229 L244 F246	I203-G205 PolarHBondContact O-N 2.78Å; I203-M206 HydrophobicContact CD1-CG 3.93Å; I203-M206 HydrophobicContact CG1-CB 3.89Å; I203-M206 HydrophobicContact CG1-CG 3.72Å; I203-M206 PolarHBondContact O-N 2.9Å; I203-D207 PolarHBondContact O-N 3.14Å; I203-D207 VanDerWaalsContact O-N 3.15Å; I203-I223 HydrophobicContact CD1-CD1 3.94Å; I203-A228 HydrophobicContact CD1-CB 3.96Å; I203-Y229 HydrophobicContact CG2-CD2 4.4Å; I203-Y229 HydrophobicContact CG2-CE1 4.25Å; I203-Y229 HydrophobicContact CG2-CE2 4.07Å; I203-L244 HydrophobicContact CD1-CD1 3.97Å; I203-F246 HydrophobicContact CD1-CE2 4.08Å; I203-F246 HydrophobicContact CD1-CZ 4.43Å
204	P	97.6	Very high	96	Very high	67 Å²	67	38.8 Å²	38.8	44%	0.435	21%	0.214	S	C	.	.	H	α-helix	trans	-55.1	-25.8	-172.3	-29.4	35.6	0	0	0	115.3	K208 L227	P204-K208 WeakPolarHBondContact O-CD 3.32Å; P204-K208 VanDerWaalsContact O-CG 3.26Å; P204-K208 WeakPolarHBondContact O-CG 3.29Å; P204-K208 PolarHBondContact O-N 2.88Å; P204-L227 HydrophobicContact CB-CD2 4.15Å; P204-L227 WeakPolarHBondContact CD-O 3.48Å
205	G	97.7	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-36.2	175.7	0	0	0	0	0	114	I203 G209 L227	I203-G205 PolarHBondContact O-N 2.78Å; G205-G209 WeakPolarHBondContact O-CA 3.37Å; G205-G209 PolarHBondContact O-N 2.85Å; G205-L227 PolarHBondContact N-O 2.92Å
206	M	97.9	Very high	96	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-76.6	-38.4	176.2	-76.8	-62.2	-71.1	0	0	111.4	Y171 L202 I203 K208 G209 L210 I221 I223 F246 V248	Y171-M206 HydrophobicContact CE2-CE 4.07Å; L202-M206 HydrophobicContact CB-CB 4.12Å; L202-M206 HydrophobicContact CD1-CB 4.17Å; I203-M206 HydrophobicContact CD1-CG 3.93Å; I203-M206 HydrophobicContact CG1-CB 3.89Å; I203-M206 HydrophobicContact CG1-CG 3.72Å; I203-M206 PolarHBondContact O-N 2.9Å; M206-K208 VanDerWaalsContact C-N 3.28Å; M206-K208 PolarHBondContact O-N 2.85Å; M206-G209 PolarHBondContact O-N 3.18Å; M206-G209 VanDerWaalsContact O-N 3.09Å; M206-L210 HydrophobicContact CE-CD1 4.24Å; M206-L210 HydrophobicContact CE-CD2 4.18Å; M206-L210 HydrophobicContact CE-CG 4.16Å; M206-L210 WeakPolarHBondContact O-CB 3.09Å; M206-L210 WeakPolarHBondContact O-CG 3.43Å; M206-L210 PolarHBondContact O-N 2.95Å; M206-I221 HydrophobicContact CE-CD1 4.23Å; M206-I221 HydrophobicContact SD-CD1 3.98Å; M206-I221 HydrophobicContact SD-CG2 4.35Å; M206-I223 HydrophobicContact CB-CD1 4.49Å; M206-I223 HydrophobicContact CG-CD1 3.67Å; M206-I223 HydrophobicContact SD-CD1 3.85Å; M206-F246 HydrophobicContact CE-CB 4.37Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CG 4.28Å; M206-F246 HydrophobicContact CG-CD2 4.16Å; M206-F246 HydrophobicContact CG-CE2 4.09Å; M206-F246 HydrophobicContact SD-CB 3.89Å; M206-F246 HydrophobicContact SD-CD1 4.31Å; M206-F246 HydrophobicContact SD-CD2 3.52Å; M206-F246 VanDerWaalsContact SD-CD2 3.52Å; M206-F246 HydrophobicContact SD-CE2 4.06Å; M206-F246 HydrophobicContact SD-CG 3.65Å; M206-V248 HydrophobicContact CE-CG2 4.14Å
207	D	97.2	Very high	96.1	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-43	172.9	-113	10.7	0	0	0	111.1	G198 I199 G200 I203 L211	G198-D207 VanDerWaalsContact CA-OD2 3.3Å; G198-D207 WeakPolarHBondContact CA-OD2 3.26Å; G198-D207 PolarHBondContact N-OD1 3.14Å; G198-D207 PolarHBondContact N-OD2 2.82Å; I199-D207 PolarHBondContact N-OD2 3.2Å; G200-D207 PolarHBondContact N-OD2 3.07Å; I203-D207 PolarHBondContact O-N 3.14Å; I203-D207 VanDerWaalsContact O-N 3.15Å; D207-L211 WeakPolarHBondContact O-CD1 3.38Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å
208	K	97.6	Very high	96.1	Very high	109 Å²	109	39.8 Å²	39.8	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-70.7	-39.7	172.1	-68.9	170.7	-171.6	178.8	0	113	V148 P204 M206	V148-K208 HydrophobicContact CG2-CB 4.09Å; V148-K208 HydrophobicContact CG2-CD 4.09Å; P204-K208 WeakPolarHBondContact O-CD 3.32Å; P204-K208 VanDerWaalsContact O-CG 3.26Å; P204-K208 WeakPolarHBondContact O-CG 3.29Å; P204-K208 PolarHBondContact O-N 2.88Å; M206-K208 VanDerWaalsContact C-N 3.28Å; M206-K208 PolarHBondContact O-N 2.85Å
209	G	97.5	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-73.1	-22.7	-173.8	0	0	0	0	0	115.1	G205 M206 R219 I221	G205-G209 WeakPolarHBondContact O-CA 3.37Å; G205-G209 PolarHBondContact O-N 2.85Å; M206-G209 PolarHBondContact O-N 3.18Å; M206-G209 VanDerWaalsContact O-N 3.09Å; G209-R219 PolarHBondContact O-NE 3.31Å; G209-R219 PolarHBondContact O-NH2 3.35Å; G209-I221 VanDerWaalsContact O-CD1 3.29Å; G209-I221 WeakPolarHBondContact O-CD1 3.37Å
210	L	98.1	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-91	-28.3	177.3	-67.9	175.6	0	0	0	113.4	I163 Y171 V197 L202 M206 G212 M213 R219 I221 V248	I163-L210 HydrophobicContact CD1-CB 4.2Å; I163-L210 VanDerWaalsContact CD1-O 3.29Å; I163-L210 WeakPolarHBondContact CD1-O 3.39Å; Y171-L210 HydrophobicContact CD1-CD1 4.35Å; Y171-L210 HydrophobicContact CE1-CD1 3.66Å; Y171-L210 HydrophobicContact CE1-CD2 4.49Å; V197-L210 HydrophobicContact CG1-CB 3.9Å; V197-L210 HydrophobicContact CG2-CB 4.17Å; V197-L210 HydrophobicContact CG2-CD1 3.95Å; L202-L210 HydrophobicContact CD1-CD1 3.53Å; M206-L210 HydrophobicContact CE-CD1 4.24Å; M206-L210 HydrophobicContact CE-CD2 4.18Å; M206-L210 HydrophobicContact CE-CG 4.16Å; M206-L210 WeakPolarHBondContact O-CB 3.09Å; M206-L210 WeakPolarHBondContact O-CG 3.43Å; M206-L210 PolarHBondContact O-N 2.95Å; L210-G212 PolarHBondContact O-N 3.11Å; L210-M213 HydrophobicContact CD2-SD 4.38Å; L210-M213 VanDerWaalsContact O-CB 3.31Å; L210-M213 WeakPolarHBondContact O-CB 3.47Å; L210-M213 PolarHBondContact O-N 3.22Å; L210-R219 PolarHBondContact O-NH2 3.24Å; L210-I221 HydrophobicContact CD2-CD1 4.18Å; L210-V248 HydrophobicContact CD2-CG1 3.94Å
211	L	97.5	Very high	96.9	Very high	61 Å²	61	35.2 Å²	35.2	32%	0.319	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	139.3	179.1	-76.4	166.1	0	0	0	112.2	I163 V165 V197 D207 M213 R219	I163-L211 HydrophobicContact CG2-CD2 4.35Å; V165-L211 HydrophobicContact CG2-CD2 3.97Å; V197-L211 HydrophobicContact CG1-CD2 4.16Å; V197-L211 HydrophobicContact CG1-CG 4.04Å; D207-L211 WeakPolarHBondContact O-CD1 3.38Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å; L211-M213 VanDerWaalsContact C-N 3.28Å; L211-M213 PolarHBondContact O-N 2.82Å; L211-R219 PolarHBondContact O-NH2 2.78Å
212	G	96.6	Very high	97.2	Very high	33 Å²	33	28 Å²	28	34%	0.34	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	3.3	179.3	0	0	0	0	0	116.4	T162 I163 L210	T162-G212 WeakPolarHBondContact CG2-O 3.34Å; I163-G212 PolarHBondContact O-N 2.88Å; L210-G212 PolarHBondContact O-N 3.11Å
213	M	97.3	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	-73.6	151.3	169.7	-155.9	163.7	179.1	0	0	111.1	T162 I163 L210 L211 E217 R219 V248 L250	T162-M213 CarbonylContact C-O 3.6Å; T162-M213 WeakPolarHBondContact CA-O 3.43Å; T162-M213 WeakPolarHBondContact CB-O 3.31Å; I163-M213 HydrophobicContact CD1-CB 3.89Å; I163-M213 HydrophobicContact CG1-CB 4.33Å; I163-M213 PolarHBondContact N-O 2.87Å; L210-M213 HydrophobicContact CD2-SD 4.38Å; L210-M213 VanDerWaalsContact O-CB 3.31Å; L210-M213 WeakPolarHBondContact O-CB 3.47Å; L210-M213 PolarHBondContact O-N 3.22Å; L211-M213 VanDerWaalsContact C-N 3.28Å; L211-M213 PolarHBondContact O-N 2.82Å; M213-E217 HydrophobicContact CE-CB 4.08Å; M213-E217 HydrophobicContact CE-CG 4.34Å; M213-E217 WeakPolarHBondContact CE-O 3.38Å; M213-E217 HydrophobicContact CG-CB 3.82Å; M213-E217 HydrophobicContact CG-CG 4.05Å; M213-R219 VanDerWaalsContact CA-NH1 3.27Å; M213-R219 VanDerWaalsContact CB-CZ 3.47Å; M213-R219 HydrophobicContact CE-CG 3.91Å; M213-R219 HydrophobicContact SD-CG 4.1Å; M213-V248 HydrophobicContact CE-CB 4.42Å; M213-V248 HydrophobicContact CE-CG1 4.05Å; M213-V248 HydrophobicContact SD-CG1 4.26Å; M213-L250 HydrophobicContact CB-CD2 4.15Å; M213-L250 HydrophobicContact CE-CB 3.85Å; M213-L250 HydrophobicContact CG-CB 4.2Å; M213-L250 HydrophobicContact CG-CD2 4.12Å; M213-L250 HydrophobicContact SD-CB 3.98Å
214	C	95.3	Very high	97.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	15%	0.147	C	C	.	.			trans	-120.1	159	167.9	49.3	0	0	0	0	112.7	C159 R161 T162 G216 E217	C159-C214 HydrophobicContact CB-CB 4.05Å; C159-C214 WeakPolarHBondContact CB-SG 3.04Å; C159-C214 WeakPolarHBondContact SG-CB 3.34Å; C159-C214 CovalentContact SG-SG 2.04Å; C159-C214 PolarHBondContact SG-SG 3.11Å; R161-C214 WeakPolarHBondContact O-CB 3.3Å; T162-C214 HydrophobicContact CG2-CB 4.02Å; C214-G216 PolarHBondContact O-N 2.91Å; C214-E217 PolarHBondContact N-OE2 2.53Å; C214-E217 VanDerWaalsContact N-OE2 3.15Å; C214-E217 WeakPolarHBondContact O-CB 3.08Å; C214-E217 PolarHBondContact O-N 2.04Å
215	V	95.6	Very high	97.3	Very high	25 Å²	25	22.8 Å²	22.8	15%	0.152	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	130.9	-173	172.5	0	0	0	0	110.8	P156 L250 L251 L253 L290 D291	P156-V215 WeakPolarHBondContact CG-O 3.31Å; V215-L250 HydrophobicContact CG2-CD2 4.13Å; V215-L250 HydrophobicContact CG2-CG 4.25Å; V215-L251 WeakPolarHBondContact CG1-O 3.48Å; V215-L253 HydrophobicContact CG2-CB 3.63Å; V215-L290 HydrophobicContact CB-CG 4.35Å; V215-L290 HydrophobicContact CG1-CB 4.37Å; V215-L290 HydrophobicContact CG1-CG 4.14Å; V215-L290 HydrophobicContact CG2-CD2 3.87Å; V215-L290 HydrophobicContact CG2-CG 4.17Å; V215-D291 HydrophobicContact CG1-CB 4.15Å
216	G	94.4	Very high	97.2	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	-11.2	-170.7	0	0	0	0	0	114.7	F154 C214 L250	F154-G216 VanDerWaalsContact CD1-O 3.23Å; F154-G216 WeakPolarHBondContact CD1-O 3.16Å; F154-G216 WeakPolarHBondContact CE1-O 3.48Å; C214-G216 PolarHBondContact O-N 2.91Å; G216-L250 PolarHBondContact N-O 2.8Å
217	E	96.8	Very high	97.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.149	C	C	.	.			trans	-65.1	148.8	172.2	-169.1	177	146.6	0	0	110.7	T152 F154 K155 M213 C214 R219 L250	T152-E217 HydrophobicContact CG2-CG 3.56Å; T152-E217 VanDerWaalsContact CG2-OE1 3.28Å; T152-E217 WeakPolarHBondContact CG2-OE1 3.36Å; T152-E217 PolarHBondContact OG1-OE1 3.43Å; F154-E217 WeakPolarHBondContact O-CA 3.49Å; F154-E217 VanDerWaalsContact O-CG 3.27Å; F154-E217 WeakPolarHBondContact O-CG 2.98Å; K155-E217 HydrophobicContact CB-CG 4.3Å; K155-E217 HydrophobicContact CG-CG 4.09Å; K155-E217 IonicContact NZ-OE2 3.33Å; K155-E217 PolarHBondContact NZ-OE2 3.04Å; M213-E217 HydrophobicContact CE-CB 4.08Å; M213-E217 HydrophobicContact CE-CG 4.34Å; M213-E217 WeakPolarHBondContact CE-O 3.38Å; M213-E217 HydrophobicContact CG-CB 3.82Å; M213-E217 HydrophobicContact CG-CG 4.05Å; C214-E217 PolarHBondContact N-OE2 2.53Å; C214-E217 VanDerWaalsContact N-OE2 3.15Å; C214-E217 WeakPolarHBondContact O-CB 3.08Å; C214-E217 PolarHBondContact O-N 2.04Å; E217-R219 VanDerWaalsContact OE1-CD 3.26Å; E217-R219 WeakPolarHBondContact OE1-CD 3.11Å; E217-R219 IonicContact OE1-CZ 3.17Å; E217-R219 IonicContact OE1-NE 2.75Å; E217-R219 IonicContact OE1-NH1 3.39Å; E217-R219 PolarHBondContact OE1-NH1 2.69Å; E217-R219 IonicContact OE2-NH1 3.49Å; E217-L250 PolarHBondContact O-N 3.42Å
218	K	98.1	Very high	97.2	Very high	91 Å²	91	27.4 Å²	27.4	40%	0.396	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.8	169.8	-48.7	-173.4	178.5	-174.7	0	111.7	Y153 F154 V248 A249	Y153-K218 HydrophobicContact CD2-CB 4.41Å; Y153-K218 HydrophobicContact CE1-CB 4.03Å; Y153-K218 HydrophobicContact CE2-CB 3.65Å; Y153-K218 HydrophobicContact CE2-CD 4.06Å; Y153-K218 HydrophobicContact CE2-CG 4.5Å; Y153-K218 VanDerWaalsContact CZ-CB 3.45Å; Y153-K218 PolarHBondContact N-O 3.15Å; Y153-K218 WeakPolarHBondContact OH-CB 3.45Å; F154-K218 HydrophobicContact CB-CB 4.14Å; F154-K218 HydrophobicContact CB-CG 4.38Å; F154-K218 HydrophobicContact CD1-CG 4.2Å; F154-K218 PolarHBondContact N-O 3.21Å; F154-K218 PolarHBondContact O-N 3.41Å; K218-V248 CarbonylContact C-O 3.6Å; K218-V248 WeakPolarHBondContact CA-O 3.34Å; K218-A249 HydrophobicContact CD-CB 4.17Å; K218-A249 HydrophobicContact CG-CB 3.85Å
219	R	98.2	Very high	97.2	Very high	10 Å²	10	26.2 Å²	26.2	4%	0.038	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	149.1	-175.5	70.3	-158.2	-161.7	179.4	8.9	113.9	I150 H151 T152 G209 L210 L211 M213 E217 I221 V248	I150-R219 HydrophobicContact CG2-CG 4.26Å; H151-R219 CarbonylContact O-C 3.4Å; H151-R219 VanDerWaalsContact O-CA 3.26Å; H151-R219 WeakPolarHBondContact O-CA 3.11Å; H151-R219 WeakPolarHBondContact O-CB 3.46Å; T152-R219 HydrophobicContact CG2-CB 4.5Å; T152-R219 WeakPolarHBondContact OG1-CD 3.44Å; G209-R219 PolarHBondContact O-NE 3.31Å; G209-R219 PolarHBondContact O-NH2 3.35Å; L210-R219 PolarHBondContact O-NH2 3.24Å; L211-R219 PolarHBondContact O-NH2 2.78Å; M213-R219 VanDerWaalsContact CA-NH1 3.27Å; M213-R219 VanDerWaalsContact CB-CZ 3.47Å; M213-R219 HydrophobicContact CE-CG 3.91Å; M213-R219 HydrophobicContact SD-CG 4.1Å; E217-R219 VanDerWaalsContact OE1-CD 3.26Å; E217-R219 WeakPolarHBondContact OE1-CD 3.11Å; E217-R219 IonicContact OE1-CZ 3.17Å; E217-R219 IonicContact OE1-NE 2.75Å; E217-R219 IonicContact OE1-NH1 3.39Å; E217-R219 PolarHBondContact OE1-NH1 2.69Å; E217-R219 IonicContact OE2-NH1 3.49Å; R219-I221 HydrophobicContact CG-CG1 4.25Å; R219-V248 PolarHBondContact N-O 2.82Å; R219-V248 PolarHBondContact O-N 3.31Å
220	I	98.4	Very high	97	Very high	58 Å²	58	27.3 Å²	27.3	30%	0.297	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.8	171.5	-59.1	172.9	0	0	0	108.4	I150 H151 Y153 V245 F246 D247	I150-I220 WeakPolarHBondContact CA-O 3.29Å; H151-I220 HydrophobicContact CB-CB 4.45Å; H151-I220 PolarHBondContact N-O 3.22Å; H151-I220 PolarHBondContact O-N 3.38Å; Y153-I220 HydrophobicContact CD1-CG1 4.11Å; Y153-I220 HydrophobicContact CE1-CG1 4Å; I220-V245 HydrophobicContact CG2-CG1 3.5Å; I220-V245 VanDerWaalsContact CG2-CG1 3.5Å; I220-F246 CarbonylContact C-O 3.57Å; I220-F246 WeakPolarHBondContact CA-O 3.31Å; I220-D247 HydrophobicContact CG1-CB 4.43Å
221	I	98.6	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110.7	178.2	-54.1	168.1	0	0	0	107.7	V148 Q149 M206 G209 L210 R219 I223 V245 F246 V248	V148-I221 HydrophobicContact CG1-CG2 3.52Å; Q149-I221 WeakPolarHBondContact O-CA 3.44Å; M206-I221 HydrophobicContact CE-CD1 4.23Å; M206-I221 HydrophobicContact SD-CD1 3.98Å; M206-I221 HydrophobicContact SD-CG2 4.35Å; G209-I221 VanDerWaalsContact O-CD1 3.29Å; G209-I221 WeakPolarHBondContact O-CD1 3.37Å; L210-I221 HydrophobicContact CD2-CD1 4.18Å; R219-I221 HydrophobicContact CG-CG1 4.25Å; I221-I223 HydrophobicContact CG2-CD1 4.1Å; I221-I223 HydrophobicContact CG2-CG1 3.89Å; I221-V245 WeakPolarHBondContact O-CA 3.05Å; I221-F246 HydrophobicContact CB-CB 4.44Å; I221-F246 PolarHBondContact N-O 3.46Å; I221-F246 PolarHBondContact O-N 2.59Å; I221-V248 HydrophobicContact CD1-CB 4.45Å; I221-V248 HydrophobicContact CD1-CG2 3.81Å
222	T	98.1	Very high	96.6	Very high	31 Å²	31	39 Å²	39	19%	0.19	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.3	176.6	-56.8	0	0	0	0	110.1	V148 Q149 L178 L244 V245	V148-T222 WeakPolarHBondContact CA-O 3.42Å; Q149-T222 PolarHBondContact N-O 3.09Å; Q149-T222 PolarHBondContact O-N 2.89Å; L178-T222 HydrophobicContact CD2-CG2 3.82Å; T222-L244 CarbonylContact C-O 3.58Å; T222-L244 WeakPolarHBondContact CA-O 3.26Å; T222-V245 HydrophobicContact CG2-CG2 4.2Å
223	I	98.4	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.4	-168.2	-58.1	171.8	0	0	0	109.4	V148 I203 M206 I221 L227 A228 S243 L244 F246	V148-I223 HydrophobicContact CG1-CG1 4.3Å; I203-I223 HydrophobicContact CD1-CD1 3.94Å; M206-I223 HydrophobicContact CB-CD1 4.49Å; M206-I223 HydrophobicContact CG-CD1 3.67Å; M206-I223 HydrophobicContact SD-CD1 3.85Å; I221-I223 HydrophobicContact CG2-CD1 4.1Å; I221-I223 HydrophobicContact CG2-CG1 3.89Å; I223-L227 HydrophobicContact CG2-CB 3.76Å; I223-A228 HydrophobicContact CG2-CB 3.88Å; I223-S243 CarbonylContact O-C 3.58Å; I223-S243 WeakPolarHBondContact O-CA 3.44Å; I223-L244 PolarHBondContact N-O 2.97Å; I223-L244 PolarHBondContact O-N 3.07Å; I223-F246 HydrophobicContact CD1-CD2 3.85Å; I223-F246 HydrophobicContact CD1-CE2 3.95Å
224	P	97.6	Very high	96.3	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.045	22%	0.223	C	C	.	.			trans	-71.1	156.3	173	31.7	-35.5	0	0	0	110.9	W142 D146 F226 L227 A228	W142-P224 HydrophobicContact CB-CB 4.49Å; D146-P224 HydrophobicContact CB-CB 4.19Å; D146-P224 HydrophobicContact CB-CG 4.23Å; P224-F226 VanDerWaalsContact C-N 3.31Å; P224-F226 HydrophobicContact CB-CD1 4.23Å; P224-F226 HydrophobicContact CB-CE1 3.68Å; P224-F226 HydrophobicContact CB-CZ 3.89Å; P224-F226 HydrophobicContact CG-CE1 4Å; P224-F226 HydrophobicContact CG-CE2 4.03Å; P224-F226 HydrophobicContact CG-CZ 3.68Å; P224-F226 PolarHBondContact O-N 2.82Å; P224-F226 VanDerWaalsContact O-N 3.14Å; P224-L227 HydrophobicContact CG-CB 4.48Å; P224-L227 HydrophobicContact CG-CD1 4.14Å; P224-L227 HydrophobicContact CG-CG 4.36Å; P224-L227 PolarHBondContact O-N 3.35Å; P224-A228 PolarHBondContact O-N 3.22Å
225	P	96.7	Very high	96.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.7	-35.7	-162.8	-19.9	28.7	0	0	0	114.1	W142 L227 A228 Y229 G230 Q241 A242	W142-P225 HydrophobicContact CD2-CG 4.13Å; W142-P225 HydrophobicContact CG-CG 4.06Å; W142-P225 HydrophobicContact CZ2-CG 4.45Å; P225-L227 PolarHBondContact O-N 3.18Å; P225-L227 VanDerWaalsContact O-N 3.14Å; P225-A228 CarbonylContact O-C 3.58Å; P225-A228 VanDerWaalsContact O-C 3.31Å; P225-A228 WeakPolarHBondContact O-CA 3.19Å; P225-A228 PolarHBondContact O-N 3.09Å; P225-Y229 PolarHBondContact O-N 3.31Å; P225-G230 WeakPolarHBondContact O-CA 3.41Å; P225-G230 PolarHBondContact O-N 2.85Å; P225-Q241 VanDerWaalsContact CG-C 3.45Å; P225-Q241 WeakPolarHBondContact CG-O 3.36Å; P225-A242 WeakPolarHBondContact CB-O 3.5Å
226	F	96.1	Very high	95.7	Very high	85 Å²	85	53.7 Å²	53.7	37%	0.373	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-69.7	-3.5	177.4	58.9	-94.8	0	0	0	114.5	W142 N143 D146 P224	W142-F226 AromaticContact CE3-CD1 3.99Å; W142-F226 HydrophobicContact CE3-CD1 3.99Å; W142-F226 AromaticContact CE3-CE1 3.77Å; W142-F226 HydrophobicContact CE3-CE1 3.77Å; W142-F226 AromaticContact CZ3-CD1 3.9Å; W142-F226 HydrophobicContact CZ3-CD1 3.9Å; W142-F226 AromaticContact CZ3-CE1 4Å; W142-F226 HydrophobicContact CZ3-CE1 4Å; N143-F226 WeakPolarHBondContact O-CE1 3.42Å; D146-F226 HydrophobicContact CB-CZ 4.41Å; D146-F226 WeakPolarHBondContact O-CZ 3.46Å; P224-F226 VanDerWaalsContact C-N 3.31Å; P224-F226 HydrophobicContact CB-CD1 4.23Å; P224-F226 HydrophobicContact CB-CE1 3.68Å; P224-F226 HydrophobicContact CB-CZ 3.89Å; P224-F226 HydrophobicContact CG-CE1 4Å; P224-F226 HydrophobicContact CG-CE2 4.03Å; P224-F226 HydrophobicContact CG-CZ 3.68Å; P224-F226 PolarHBondContact O-N 2.82Å; P224-F226 VanDerWaalsContact O-N 3.14Å
227	L	97.6	Very high	95.5	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.115	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-112.3	1.9	165.8	-62.5	-179.5	0	0	0	112.5	V148 P204 G205 I223 P224 P225	V148-L227 HydrophobicContact CG2-CD1 3.72Å; P204-L227 HydrophobicContact CB-CD2 4.15Å; P204-L227 WeakPolarHBondContact CD-O 3.48Å; G205-L227 PolarHBondContact N-O 2.92Å; I223-L227 HydrophobicContact CG2-CB 3.76Å; P224-L227 HydrophobicContact CG-CB 4.48Å; P224-L227 HydrophobicContact CG-CD1 4.14Å; P224-L227 HydrophobicContact CG-CG 4.36Å; P224-L227 PolarHBondContact O-N 3.35Å; P225-L227 PolarHBondContact O-N 3.18Å; P225-L227 VanDerWaalsContact O-N 3.14Å
228	A	97.2	Very high	95.4	Very high	15 Å²	15	58.6 Å²	58.6	12%	0.124	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-109.3	171	0	0	0	0	0	109.9	I203 I223 P224 P225 L244	I203-A228 HydrophobicContact CD1-CB 3.96Å; I223-A228 HydrophobicContact CG2-CB 3.88Å; P224-A228 PolarHBondContact O-N 3.22Å; P225-A228 CarbonylContact O-C 3.58Å; P225-A228 VanDerWaalsContact O-C 3.31Å; P225-A228 WeakPolarHBondContact O-CA 3.19Å; P225-A228 PolarHBondContact O-N 3.09Å; A228-L244 HydrophobicContact CB-CD1 3.74Å; A228-L244 HydrophobicContact CB-CG 3.94Å
229	Y	96.6	Very high	95.2	Very high	84 Å²	84	56.7 Å²	56.7	33%	0.329	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	11.5	-173.2	-65.6	-86.4	0	0	0	114.6	I203 P225 G233 D234 I238 L244	I203-Y229 HydrophobicContact CG2-CD2 4.4Å; I203-Y229 HydrophobicContact CG2-CE1 4.25Å; I203-Y229 HydrophobicContact CG2-CE2 4.07Å; P225-Y229 PolarHBondContact O-N 3.31Å; Y229-G233 PolarHBondContact O-N 2.89Å; Y229-D234 HydrophobicContact CD1-CB 3.64Å; Y229-D234 HydrophobicContact CD2-CB 4.44Å; Y229-D234 HydrophobicContact CE1-CB 3.51Å; Y229-D234 VanDerWaalsContact CE1-CG 3.5Å; Y229-D234 WeakPolarHBondContact CE1-OD2 3.25Å; Y229-D234 HydrophobicContact CE2-CB 4.37Å; Y229-D234 HydrophobicContact CG-CB 4.06Å; Y229-D234 VanDerWaalsContact CZ-OD2 3.23Å; Y229-D234 PolarHBondContact OH-OD2 2.82Å; Y229-I238 HydrophobicContact CD2-CD1 3.92Å; Y229-I238 HydrophobicContact CD2-CG2 3.98Å; Y229-I238 HydrophobicContact CE2-CD1 3.41Å; Y229-I238 VanDerWaalsContact CE2-CD1 3.41Å; Y229-I238 HydrophobicContact CG-CG2 4.49Å; Y229-L244 HydrophobicContact CD2-CD1 3.93Å; Y229-L244 HydrophobicContact CE2-CD1 3.9Å
230	G	94.6	Very high	95	Very high	22 Å²	22	57 Å²	57	23%	0.227	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-141.7	171	0	0	0	0	0	114.6	P225 Q241	P225-G230 WeakPolarHBondContact O-CA 3.41Å; P225-G230 PolarHBondContact O-N 2.85Å; G230-Q241 PolarHBondContact O-N 3.04Å
231	E	92.6	Very high	94.7	Very high	148 Å²	148	55 Å²	55	69%	0.692	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-25	-176.2	-43.1	-148.9	124.1	0	0	112.8	G240 Q241	E231-G240 VanDerWaalsContact O-CA 3.27Å; E231-G240 WeakPolarHBondContact O-CA 3.49Å; E231-Q241 VanDerWaalsContact CD-NE2 3.32Å; E231-Q241 VanDerWaalsContact CG-NE2 3.32Å; E231-Q241 PolarHBondContact OE1-NE2 2.88Å
232	D	93.3	Very high	94.6	Very high	159 Å²	159	55.2 Å²	55.2	85%	0.85	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-38.4	-173.9	-61.1	-63.5	0	0	0	113.2
233	G	93.9	Very high	94.6	Very high	16 Å²	16	54 Å²	54	17%	0.165	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.6	-161	-174.5	0	0	0	0	0	113.6	Y229 I238	Y229-G233 PolarHBondContact O-N 2.89Å; G233-I238 CarbonylContact C-O 3.59Å; G233-I238 WeakPolarHBondContact CA-O 3.45Å
234	D	94.6	Very high	94.5	Very high	76 Å²	76	54 Å²	54	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.1	175.1	-160.6	0.1	0	0	0	111.9	Y229 K236 D237 I238	Y229-D234 HydrophobicContact CD1-CB 3.64Å; Y229-D234 HydrophobicContact CD2-CB 4.44Å; Y229-D234 HydrophobicContact CE1-CB 3.51Å; Y229-D234 VanDerWaalsContact CE1-CG 3.5Å; Y229-D234 WeakPolarHBondContact CE1-OD2 3.25Å; Y229-D234 HydrophobicContact CE2-CB 4.37Å; Y229-D234 HydrophobicContact CG-CB 4.06Å; Y229-D234 VanDerWaalsContact CZ-OD2 3.23Å; Y229-D234 PolarHBondContact OH-OD2 2.82Å; D234-K236 PolarHBondContact O-N 3.15Å; D234-D237 PolarHBondContact O-N 2.9Å; D234-I238 HydrophobicContact CB-CB 4.04Å; D234-I238 HydrophobicContact CB-CD1 4.28Å; D234-I238 PolarHBondContact N-O 3.35Å; D234-I238 PolarHBondContact O-N 2.95Å; D234-I238 VanDerWaalsContact O-N 3.12Å
235	G	90.8	Very high	94.6	Very high	75 Å²	75	54.7 Å²	54.7	77%	0.773	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-117.7	177.2	0	0	0	0	0	114.3
236	K	86.9	Confident	94.7	Very high	201 Å²	201	55.3 Å²	55.3	87%	0.874	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-13.1	171	-68.5	-175.4	176.4	-176	0	112.8	D234	D234-K236 PolarHBondContact O-N 3.15Å
237	D	90	Very high	94.8	Very high	117 Å²	117	53.7 Å²	53.7	63%	0.626	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.3	-164	-48.8	-77.9	0	0	0	110.7	F177 D234	F177-D237 WeakPolarHBondContact CZ-O 3.16Å; D234-D237 PolarHBondContact O-N 2.9Å
238	I	95.1	Very high	94.8	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105	175.7	-60.7	176.4	0	0	0	109.3	F177 F183 Y229 G233 D234 L244	F177-I238 HydrophobicContact CE1-CG1 4.48Å; F177-I238 HydrophobicContact CE1-CG2 4.36Å; F177-I238 HydrophobicContact CZ-CG1 4.39Å; F183-I238 HydrophobicContact CD2-CD1 3.89Å; F183-I238 HydrophobicContact CD2-CG1 3.94Å; F183-I238 HydrophobicContact CE2-CD1 3.72Å; F183-I238 HydrophobicContact CE2-CG1 4.24Å; F183-I238 HydrophobicContact CG-CG1 4.26Å; F183-I238 HydrophobicContact CZ-CD1 4.32Å; Y229-I238 HydrophobicContact CD2-CD1 3.92Å; Y229-I238 HydrophobicContact CD2-CG2 3.98Å; Y229-I238 HydrophobicContact CE2-CD1 3.41Å; Y229-I238 VanDerWaalsContact CE2-CD1 3.41Å; Y229-I238 HydrophobicContact CG-CG2 4.49Å; G233-I238 CarbonylContact C-O 3.59Å; G233-I238 WeakPolarHBondContact CA-O 3.45Å; D234-I238 HydrophobicContact CB-CB 4.04Å; D234-I238 HydrophobicContact CB-CD1 4.28Å; D234-I238 PolarHBondContact N-O 3.35Å; D234-I238 PolarHBondContact O-N 2.95Å; D234-I238 VanDerWaalsContact O-N 3.12Å; I238-L244 HydrophobicContact CD1-CD1 4.37Å; I238-L244 HydrophobicContact CG2-CD2 4.09Å
239	P	93.7	Very high	94.8	Very high	50 Å²	50	52.9 Å²	52.9	33%	0.325	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	151.2	177.8	27.7	-30.6	0	0	0	111.8	A242	P239-A242 HydrophobicContact CG-CB 4.14Å; P239-A242 WeakPolarHBondContact O-CB 3.38Å; P239-A242 PolarHBondContact O-N 3.41Å
240	G	93.6	Very high	94.9	Very high	17 Å²	17	49 Å²	49	18%	0.175	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	143.8	174.6	0	0	0	0	0	113.5	E231 A242	E231-G240 VanDerWaalsContact O-CA 3.27Å; E231-G240 WeakPolarHBondContact O-CA 3.49Å; G240-A242 VanDerWaalsContact C-N 3.25Å; G240-A242 PolarHBondContact O-N 3.16Å
241	Q	93.5	Very high	94.9	Very high	17 Å²	17	50 Å²	50	8%	0.079	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	24.7	-175	-49.9	-75.6	20.5	0	0	114.8	F56 W142 P225 G230 E231	F56-Q241 HydrophobicContact CE1-CB 3.69Å; F56-Q241 HydrophobicContact CE1-CG 4.2Å; F56-Q241 HydrophobicContact CE2-CG 4.44Å; F56-Q241 HydrophobicContact CZ-CB 3.71Å; F56-Q241 HydrophobicContact CZ-CG 3.68Å; W142-Q241 VanDerWaalsContact CZ2-OE1 3.24Å; P225-Q241 VanDerWaalsContact CG-C 3.45Å; P225-Q241 WeakPolarHBondContact CG-O 3.36Å; G230-Q241 PolarHBondContact O-N 3.04Å; E231-Q241 VanDerWaalsContact CD-NE2 3.32Å; E231-Q241 VanDerWaalsContact CG-NE2 3.32Å; E231-Q241 PolarHBondContact OE1-NE2 2.88Å
242	A	95.8	Very high	95	Very high	4 Å²	4	43 Å²	43	3%	0.033	25%	0.251	C	S	.	.			trans	-86.8	132.7	173	0	0	0	0	0	113	D140 F177 P225 P239 G240	D140-A242 VanDerWaalsContact OD2-CA 3.31Å; D140-A242 WeakPolarHBondContact OD2-CA 3.43Å; F177-A242 HydrophobicContact CD1-CB 3.98Å; F177-A242 HydrophobicContact CE1-CB 3.93Å; P225-A242 WeakPolarHBondContact CB-O 3.5Å; P239-A242 HydrophobicContact CG-CB 4.14Å; P239-A242 WeakPolarHBondContact O-CB 3.38Å; P239-A242 PolarHBondContact O-N 3.41Å; G240-A242 VanDerWaalsContact C-N 3.25Å; G240-A242 PolarHBondContact O-N 3.16Å
243	S	97.2	Very high	95.1	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.028	21%	0.212	C	C	.	.			trans	-83.2	136.4	169.2	-53.1	0	0	0	0	109.6	D140 I223	D140-S243 WeakPolarHBondContact OD1-CB 3.2Å; D140-S243 PolarHBondContact OD1-N 2.85Å; D140-S243 PolarHBondContact OD1-OG 2.82Å; D140-S243 PolarHBondContact OD2-N 3.27Å; I223-S243 CarbonylContact O-C 3.58Å; I223-S243 WeakPolarHBondContact O-CA 3.44Å
244	L	98.1	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.2	-177.3	-51.9	-173.1	0	0	0	111.3	F177 F183 I203 T222 I223 A228 Y229 I238 F246	F177-L244 HydrophobicContact CD1-CD2 3.84Å; F177-L244 HydrophobicContact CE1-CD2 3.62Å; F183-L244 HydrophobicContact CE1-CB 4.47Å; F183-L244 HydrophobicContact CE1-CD2 3.81Å; F183-L244 HydrophobicContact CZ-CD1 4.13Å; F183-L244 HydrophobicContact CZ-CD2 4.06Å; F183-L244 HydrophobicContact CZ-CG 4.47Å; I203-L244 HydrophobicContact CD1-CD1 3.97Å; T222-L244 CarbonylContact C-O 3.58Å; T222-L244 WeakPolarHBondContact CA-O 3.26Å; I223-L244 PolarHBondContact N-O 2.97Å; I223-L244 PolarHBondContact O-N 3.07Å; A228-L244 HydrophobicContact CB-CD1 3.74Å; A228-L244 HydrophobicContact CB-CG 3.94Å; Y229-L244 HydrophobicContact CD2-CD1 3.93Å; Y229-L244 HydrophobicContact CE2-CD1 3.9Å; I238-L244 HydrophobicContact CD1-CD1 4.37Å; I238-L244 HydrophobicContact CG2-CD2 4.09Å; L244-F246 HydrophobicContact CB-CD2 4.24Å; L244-F246 HydrophobicContact CB-CE2 3.67Å; L244-F246 HydrophobicContact CB-CZ 4.47Å; L244-F246 HydrophobicContact CD1-CE2 3.78Å; L244-F246 HydrophobicContact CD1-CZ 3.99Å; L244-F246 HydrophobicContact CG-CE2 4.4Å
245	V	98.3	Very high	95.1	Very high	22 Å²	22	32.8 Å²	32.8	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.1	174.5	-176	0	0	0	0	107.9	G175 T176 L178 I220 I221 T222	G175-V245 CarbonylContact C-O 3.59Å; G175-V245 WeakPolarHBondContact CA-O 3.4Å; T176-V245 PolarHBondContact N-O 3.05Å; T176-V245 PolarHBondContact O-N 2.87Å; L178-V245 HydrophobicContact CD2-CG2 3.73Å; L178-V245 HydrophobicContact CG-CG2 4.44Å; I220-V245 HydrophobicContact CG2-CG1 3.5Å; I220-V245 VanDerWaalsContact CG2-CG1 3.5Å; I221-V245 WeakPolarHBondContact O-CA 3.05Å; T222-V245 HydrophobicContact CG2-CG2 4.2Å
246	F	98.6	Very high	95.1	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.066	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.4	176	-68.5	-90.2	0	0	0	110.1	Y173 N174 F183 I203 M206 I220 I221 I223 L244 V248	Y173-F246 AromaticContact CD2-CD1 3.68Å; Y173-F246 HydrophobicContact CD2-CD1 3.68Å; Y173-F246 AromaticContact CD2-CE1 3.96Å; Y173-F246 HydrophobicContact CD2-CE1 3.96Å; Y173-F246 HydrophobicContact CE2-CD1 4.16Å; Y173-F246 AromaticContact CE2-CE1 3.94Å; Y173-F246 HydrophobicContact CE2-CE1 3.94Å; Y173-F246 HydrophobicContact CG-CD1 4.25Å; N174-F246 WeakPolarHBondContact O-CA 3.42Å; F183-F246 HydrophobicContact CE2-CE1 4.4Å; F183-F246 HydrophobicContact CE2-CZ 4.31Å; F183-F246 AromaticContact CZ-CE1 3.97Å; F183-F246 HydrophobicContact CZ-CE1 3.97Å; F183-F246 HydrophobicContact CZ-CE2 4.4Å; F183-F246 AromaticContact CZ-CZ 3.73Å; F183-F246 HydrophobicContact CZ-CZ 3.73Å; I203-F246 HydrophobicContact CD1-CE2 4.08Å; I203-F246 HydrophobicContact CD1-CZ 4.43Å; M206-F246 HydrophobicContact CE-CB 4.37Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CG 4.28Å; M206-F246 HydrophobicContact CG-CD2 4.16Å; M206-F246 HydrophobicContact CG-CE2 4.09Å; M206-F246 HydrophobicContact SD-CB 3.89Å; M206-F246 HydrophobicContact SD-CD1 4.31Å; M206-F246 HydrophobicContact SD-CD2 3.52Å; M206-F246 VanDerWaalsContact SD-CD2 3.52Å; M206-F246 HydrophobicContact SD-CE2 4.06Å; M206-F246 HydrophobicContact SD-CG 3.65Å; I220-F246 CarbonylContact C-O 3.57Å; I220-F246 WeakPolarHBondContact CA-O 3.31Å; I221-F246 HydrophobicContact CB-CB 4.44Å; I221-F246 PolarHBondContact N-O 3.46Å; I221-F246 PolarHBondContact O-N 2.59Å; I223-F246 HydrophobicContact CD1-CD2 3.85Å; I223-F246 HydrophobicContact CD1-CE2 3.95Å; L244-F246 HydrophobicContact CB-CD2 4.24Å; L244-F246 HydrophobicContact CB-CE2 3.67Å; L244-F246 HydrophobicContact CB-CZ 4.47Å; L244-F246 HydrophobicContact CD1-CE2 3.78Å; L244-F246 HydrophobicContact CD1-CZ 3.99Å; L244-F246 HydrophobicContact CG-CE2 4.4Å; F246-V248 HydrophobicContact CB-CG2 3.88Å
247	D	98.5	Very high	95.3	Very high	51 Å²	51	31.2 Å²	31.2	27%	0.273	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	118.7	162.4	173.9	32.5	0	0	0	107.9	Y153 Y173 N174 I220	Y153-D247 WeakPolarHBondContact CE1-OD1 3.28Å; Y153-D247 VanDerWaalsContact CZ-OD1 3.32Å; Y153-D247 PolarHBondContact OH-OD1 3.41Å; Y173-D247 CarbonylContact C-O 3.57Å; Y173-D247 WeakPolarHBondContact CA-O 3.35Å; Y173-D247 WeakPolarHBondContact CB-O 3.44Å; N174-D247 PolarHBondContact N-O 3.13Å; N174-D247 PolarHBondContact O-N 2.62Å; I220-D247 HydrophobicContact CG1-CB 4.43Å
248	V	98.4	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.7	-170	-178.5	0	0	0	0	111.3	Y171 H172 M206 L210 M213 K218 R219 I221 F246	Y171-V248 HydrophobicContact CD2-CG1 3.71Å; Y171-V248 HydrophobicContact CE2-CG1 4.43Å; Y171-V248 HydrophobicContact CG-CG1 4.09Å; H172-V248 WeakPolarHBondContact O-CA 3.46Å; M206-V248 HydrophobicContact CE-CG2 4.14Å; L210-V248 HydrophobicContact CD2-CG1 3.94Å; M213-V248 HydrophobicContact CE-CB 4.42Å; M213-V248 HydrophobicContact CE-CG1 4.05Å; M213-V248 HydrophobicContact SD-CG1 4.26Å; K218-V248 CarbonylContact C-O 3.6Å; K218-V248 WeakPolarHBondContact CA-O 3.34Å; R219-V248 PolarHBondContact N-O 2.82Å; R219-V248 PolarHBondContact O-N 3.31Å; I221-V248 HydrophobicContact CD1-CB 4.45Å; I221-V248 HydrophobicContact CD1-CG2 3.81Å; F246-V248 HydrophobicContact CB-CG2 3.88Å
249	A	97.6	Very high	95.5	Very high	19 Å²	19	31 Å²	31	16%	0.157	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.6	168.8	0	0	0	0	0	110.5	Y171 H172 K218	Y171-A249 WeakPolarHBondContact CA-O 3.32Å; Y171-A249 WeakPolarHBondContact CB-O 3.49Å; H172-A249 PolarHBondContact N-O 2.71Å; H172-A249 PolarHBondContact O-N 2.92Å; K218-A249 HydrophobicContact CD-CB 4.17Å; K218-A249 HydrophobicContact CG-CB 3.85Å
250	L	97.4	Very high	95.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.5	-178.5	-175.9	66.6	0	0	0	110.8	I163 V169 M213 V215 G216 E217 D252	I163-L250 HydrophobicContact CD1-CD1 4.04Å; I163-L250 HydrophobicContact CD1-CD2 3.63Å; I163-L250 HydrophobicContact CD1-CG 4.49Å; I163-L250 HydrophobicContact CG1-CD2 3.86Å; V169-L250 HydrophobicContact CB-CD1 3.95Å; V169-L250 HydrophobicContact CG1-CD1 4.27Å; M213-L250 HydrophobicContact CB-CD2 4.15Å; M213-L250 HydrophobicContact CE-CB 3.85Å; M213-L250 HydrophobicContact CG-CB 4.2Å; M213-L250 HydrophobicContact CG-CD2 4.12Å; M213-L250 HydrophobicContact SD-CB 3.98Å; V215-L250 HydrophobicContact CG2-CD2 4.13Å; V215-L250 HydrophobicContact CG2-CG 4.25Å; G216-L250 PolarHBondContact N-O 2.8Å; E217-L250 PolarHBondContact O-N 3.42Å; L250-D252 WeakPolarHBondContact CD1-O 3.38Å
251	L	95	Very high	95.7	Very high	44 Å²	44	32 Å²	32	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-28	-178.9	-51.9	-174.3	0	0	0	113.4	R170 T192 V215	R170-L251 PolarHBondContact O-N 2.68Å; T192-L251 HydrophobicContact CG2-CD1 3.66Å; V215-L251 WeakPolarHBondContact CG1-O 3.48Å
252	D	94.9	Very high	95.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.7	-176.4	-144.6	-30.6	0	0	0	113.4	V169 R170 L250 L290 A353 V354	V169-D252 WeakPolarHBondContact CA-O 3.48Å; R170-D252 HydrophobicContact CB-CB 3.88Å; R170-D252 HydrophobicContact CG-CB 4.1Å; R170-D252 IonicContact CZ-OD2 3.9Å; R170-D252 VanDerWaalsContact CZ-OD2 3.31Å; R170-D252 PolarHBondContact N-O 2.95Å; R170-D252 VanDerWaalsContact N-O 3.07Å; R170-D252 IonicContact NE-OD2 3.67Å; R170-D252 PolarHBondContact NE-OD2 3.02Å; R170-D252 IonicContact NH2-OD2 2.7Å; R170-D252 PolarHBondContact NH2-OD2 2.64Å; R170-D252 PolarHBondContact O-N 3.23Å; R170-D252 VanDerWaalsContact O-N 3.09Å; L250-D252 WeakPolarHBondContact CD1-O 3.38Å; D252-L290 WeakPolarHBondContact OD1-CD2 3.39Å; D252-A353 WeakPolarHBondContact OD2-CA 3.41Å; D252-V354 VanDerWaalsContact OD1-CB 3.29Å; D252-V354 WeakPolarHBondContact OD1-CB 3.02Å; D252-V354 WeakPolarHBondContact OD1-CG2 3.01Å; D252-V354 PolarHBondContact OD2-N 3.37Å
253	L	94.9	Very high	95.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	117.9	-171.8	171.6	53.6	0	0	0	111.4	R161 I163 D167 F168 V169 V215	R161-L253 HydrophobicContact CG-CD2 3.88Å; I163-L253 HydrophobicContact CG1-CD1 4Å; I163-L253 HydrophobicContact CG1-CD2 4.06Å; D167-L253 HydrophobicContact CB-CD1 3.55Å; D167-L253 WeakPolarHBondContact OD2-CD1 3.41Å; F168-L253 WeakPolarHBondContact O-CA 3.41Å; V169-L253 HydrophobicContact CG1-CD1 4.05Å; V215-L253 HydrophobicContact CG2-CB 3.63Å
254	H	95.1	Very high	95.7	Very high	13 Å²	13	43 Å²	43	6%	0.06	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	166.6	168	70.5	-80.6	0	0	0	112.3	D167 F168 D258 P337 V354	D167-H254 CarbonylContact C-O 3.55Å; D167-H254 WeakPolarHBondContact CA-O 3.3Å; F168-H254 AromaticContact CD1-CE1 3.25Å; F168-H254 WeakPolarHBondContact CD1-CE1 3.45Å; F168-H254 AromaticContact CD1-ND1 3.81Å; F168-H254 AromaticContact CE1-CE1 4Å; F168-H254 AromaticContact CG-CE1 3.67Å; F168-H254 PolarHBondContact N-O 3.02Å; F168-H254 PolarHBondContact O-N 3.19Å; H254-D258 WeakPolarHBondContact CA-OD2 3.15Å; H254-P337 VanDerWaalsContact CE1-CG 3.47Å; H254-P337 WeakPolarHBondContact CE1-CG 3.31Å; H254-V354 HydrophobicContact CB-CG2 3.66Å
255	N	94.1	Very high	95.5	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	26%	0.255	C	S	.	.			trans	-105.3	143.6	163.7	-155.6	-86.7	0	0	0	109.1	S166 D167 K257 D258	S166-N255 PolarHBondContact O-ND2 2.81Å; S166-N255 PolarHBondContact OG-ND2 3.43Å; D167-N255 WeakPolarHBondContact OD1-CB 3.2Å; D167-N255 PolarHBondContact OD1-ND2 2.94Å; N255-K257 PolarHBondContact O-N 2.84Å; N255-K257 PolarHBondContact OD1-N 2.93Å; N255-D258 VanDerWaalsContact CB-OD1 3.31Å; N255-D258 WeakPolarHBondContact CB-OD1 3.46Å; N255-D258 PolarHBondContact N-OD2 3.46Å; N255-D258 WeakPolarHBondContact O-CB 3.22Å; N255-D258 PolarHBondContact O-N 2.8Å
256	P	90.1	Very high	95.2	Very high	60 Å²	60	50 Å²	50	39%	0.39	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-7.5	171.3	-26	35.3	0	0	0	115.2	Y196	Y196-P256 HydrophobicContact CE1-CG 3.66Å
257	K	92.1	Very high	94.8	Very high	183 Å²	183	52.9 Å²	52.9	80%	0.796	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	0.2	176.8	-60.3	171.4	-176.4	167.2	0	114.2	N255	N255-K257 PolarHBondContact O-N 2.84Å; N255-K257 PolarHBondContact OD1-N 2.93Å
258	D	93.1	Very high	94.3	Very high	43 Å²	43	52.5 Å²	52.5	23%	0.23	29%	0.288	C	S	.	.			trans	-66.1	137.3	177.9	-67	-20.5	0	0	0	110.2	R161 H254 N255 P336 H338	R161-D258 IonicContact CZ-OD2 3.9Å; R161-D258 IonicContact NH1-OD1 3.69Å; R161-D258 IonicContact NH1-OD2 2.71Å; R161-D258 PolarHBondContact NH1-OD2 3.36Å; R161-D258 IonicContact NH2-OD1 3.27Å; R161-D258 IonicContact NH2-OD2 3.41Å; R161-D258 PolarHBondContact NH2-OD2 2.85Å; H254-D258 WeakPolarHBondContact CA-OD2 3.15Å; N255-D258 VanDerWaalsContact CB-OD1 3.31Å; N255-D258 WeakPolarHBondContact CB-OD1 3.46Å; N255-D258 PolarHBondContact N-OD2 3.46Å; N255-D258 WeakPolarHBondContact O-CB 3.22Å; N255-D258 PolarHBondContact O-N 2.8Å; D258-P336 HydrophobicContact CB-CB 4.25Å; D258-P336 HydrophobicContact CB-CG 4.36Å; D258-P336 WeakPolarHBondContact O-CG 3.33Å; D258-H338 PolarHBondContact O-CE1 3.07Å; D258-H338 PolarHBondContact O-NE2 3.03Å
259	S	95.8	Very high	93.5	Very high	83 Å²	83	61.8 Å²	61.8	58%	0.58	33%	0.332	S	S	*	.			trans	-80.1	-176.7	161.8	61.6	0	0	0	0	110.4
260	I	96.8	Very high	92.5	Very high	13 Å²	13	67.5 Å²	67.5	7%	0.067	36%	0.36	C	S	.	.			trans	-60.4	158.8	157.1	64.6	170.4	0	0	0	111.2	I262 G317 E320 V334 V335 L339	I260-I262 HydrophobicContact CD1-CD1 3.87Å; I260-I262 HydrophobicContact CD1-CG1 3.98Å; I260-I262 HydrophobicContact CG1-CG1 4.47Å; I260-G317 VanDerWaalsContact CG2-CA 3.43Å; I260-E320 HydrophobicContact CD1-CB 3.91Å; I260-E320 HydrophobicContact CD1-CG 3.65Å; I260-E320 HydrophobicContact CG1-CG 4.34Å; I260-V334 CarbonylContact C-O 3.31Å; I260-V334 VanDerWaalsContact CA-O 3.25Å; I260-V334 WeakPolarHBondContact CA-O 3.5Å; I260-V334 WeakPolarHBondContact CB-O 3.25Å; I260-V335 HydrophobicContact CG2-CG2 4.22Å; I260-L339 HydrophobicContact CG2-CD1 3.78Å
261	S	95.7	Very high	91.8	Very high	75 Å²	75	69.6 Å²	69.6	52%	0.524	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.4	167.3	-171.6	0	0	0	0	109.7	I333 V334	S261-I333 CarbonylContact O-C 3.59Å; S261-I333 WeakPolarHBondContact O-CA 3.4Å; S261-V334 PolarHBondContact N-O 3.26Å; S261-V334 PolarHBondContact O-N 2.97Å
262	I	96.5	Very high	91	Very high	70 Å²	70	76.6 Å²	76.6	36%	0.359	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.1	-178	-51.6	178	0	0	0	109.5	I260 N264 R331 R332	I260-I262 HydrophobicContact CD1-CD1 3.87Å; I260-I262 HydrophobicContact CD1-CG1 3.98Å; I260-I262 HydrophobicContact CG1-CG1 4.47Å; I262-N264 WeakPolarHBondContact CG2-OD1 3.41Å; I262-R331 HydrophobicContact CG2-CB 4.27Å; I262-R332 WeakPolarHBondContact CA-O 3.47Å
263	E	95.5	Very high	90.5	Very high	101 Å²	101	80.4 Å²	80.4	47%	0.472	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.3	173.4	173.3	-163.5	-155	0	0	108.5	K265 R331 R332	E263-K265 HydrophobicContact CG-CG 4.3Å; E263-K265 PolarHBondContact O-N 3.38Å; E263-K265 WeakPolarHBondContact OE2-CE 3.36Å; E263-K265 IonicContact OE2-NZ 2.77Å; E263-R331 CarbonylContact O-C 3.48Å; E263-R331 WeakPolarHBondContact O-CA 3.4Å; E263-R332 HydrophobicContact CB-CB 4.21Å; E263-R332 PolarHBondContact N-O 2.94Å; E263-R332 PolarHBondContact O-N 3.03Å; E263-R332 WeakPolarHBondContact OE2-CD 3.46Å
264	N	93.6	Very high	90.4	Very high	85 Å²	85	84.4 Å²	84.4	46%	0.455	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.7	175.9	-67.4	8.1	0	0	0	109.4	I262 V267	I262-N264 WeakPolarHBondContact CG2-OD1 3.41Å; N264-V267 HydrophobicContact CB-CG2 3.88Å
265	K	92.8	Very high	90.4	Very high	94 Å²	94	84 Å²	84	41%	0.409	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-37.2	-175.2	-67.4	-178.4	171.2	179.1	0	112.9	E263 K330 R332 D358	E263-K265 HydrophobicContact CG-CG 4.3Å; E263-K265 PolarHBondContact O-N 3.38Å; E263-K265 WeakPolarHBondContact OE2-CE 3.36Å; E263-K265 IonicContact OE2-NZ 2.77Å; K265-K330 WeakPolarHBondContact CA-O 3.49Å; K265-K330 WeakPolarHBondContact CB-O 3.33Å; K265-K330 PolarHBondContact N-O 3.27Å; K265-R332 HydrophobicContact CD-CB 4.4Å; K265-R332 VanDerWaalsContact NZ-NE 3.12Å; K265-D358 IonicContact NZ-OD1 3.3Å; K265-D358 PolarHBondContact NZ-OD1 3.33Å
266	V	93.4	Very high	90.5	Very high	75 Å²	75	88.9 Å²	88.9	46%	0.455	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	117.7	172.3	-176.4	0	0	0	0	107.9	E329 K330	V266-E329 WeakPolarHBondContact O-CA 3.25Å; V266-E329 WeakPolarHBondContact O-CG 3.34Å; V266-K330 HydrophobicContact CB-CB 4.09Å; V266-K330 HydrophobicContact CG2-CB 4.32Å; V266-K330 HydrophobicContact CG2-CD 4.31Å; V266-K330 PolarHBondContact N-O 2.91Å; V266-K330 PolarHBondContact O-N 2.79Å
267	V	89.9	Confident	90.7	Very high	74 Å²	74	89 Å²	89	45%	0.448	46%	0.464	S	S	.	.			trans	-111	119.3	167.8	-172.4	0	0	0	0	107.2	N264 C326 E329	N264-V267 HydrophobicContact CB-CG2 3.88Å; V267-C326 HydrophobicContact CG1-CB 4.49Å; V267-E329 HydrophobicContact CG2-CG 4.23Å
268	P	87.3	Confident	90.8	Very high	43 Å²	43	81 Å²	81	28%	0.279	43%	0.433	S	S	.	.			trans	-62.4	147.4	176.3	-28.3	39.6	0	0	0	112.6	N270 I327	P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 3.13Å; P268-I327 WeakPolarHBondContact CG-O 3.13Å
269	E	82.1	Confident	90.8	Very high	197 Å²	197	79.1 Å²	79.1	92%	0.921	42%	0.423	S	S	*	.	S	Bend	trans	-63.3	-36.3	-175.4	-60	-176.2	158.2	0	0	112.5
270	N	77.1	Confident	90.6	Very high	138 Å²	138	76 Å²	76	74%	0.738	40%	0.398	S	S	*	.			trans	-96.3	91.7	177.3	-67.9	-3.4	0	0	0	110.4	P268	P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 3.13Å
271	C	81.9	Confident	90.4	Very high	46 Å²	46	75.3 Å²	75.3	31%	0.311	40%	0.395	S	S	.	.			trans	-112.7	74.2	173.8	-172.8	0	0	0	0	110.8	I274 C326	C271-I274 VanDerWaalsContact SG-CG2 3.6Å; C271-C326 HydrophobicContact CB-CB 3.82Å; C271-C326 WeakPolarHBondContact CB-SG 3.48Å; C271-C326 WeakPolarHBondContact SG-CB 3.4Å; C271-C326 CovalentContact SG-SG 2.03Å; C271-C326 PolarHBondContact SG-SG 2.99Å
272	E	79	Confident	90.2	Very high	191 Å²	191	72.5 Å²	72.5	89%	0.893	37%	0.373	S	S	*	.			trans	-74.2	-29	-178.1	-59.7	-173.8	166.8	0	0	113.1
273	R	84.9	Confident	90.1	Very high	80 Å²	80	69.5 Å²	69.5	30%	0.302	36%	0.357	S	S	.	.			trans	-124	136.7	173.6	-172.4	-166.5	-179.7	140.6	3.6	109.5	D279 F364 D369	R273-D279 IonicContact NE-OD2 2.67Å; R273-D279 IonicContact NH2-OD1 3.55Å; R273-D279 PolarHBondContact NH2-OD1 3Å; R273-D279 IonicContact NH2-OD2 3.28Å; R273-F364 VanDerWaalsContact CD-CE2 3.46Å; R273-F364 HydrophobicContact CG-CE2 3.76Å; R273-F364 HydrophobicContact CG-CZ 4.27Å; R273-D369 IonicContact CZ-OD1 3.52Å; R273-D369 IonicContact CZ-OD2 2.76Å; R273-D369 VanDerWaalsContact NH1-CG 3.31Å; R273-D369 IonicContact NH1-OD1 3.98Å; R273-D369 PolarHBondContact NH1-OD1 2.85Å; R273-D369 IonicContact NH1-OD2 3.21Å; R273-D369 PolarHBondContact NH1-OD2 3Å; R273-D369 IonicContact NH2-OD1 2.62Å; R273-D369 PolarHBondContact NH2-OD1 3.36Å; R273-D369 IonicContact NH2-OD2 2.79Å; R273-D369 PolarHBondContact NH2-OD2 3.35Å
274	I	92.9	Very high	90.1	Very high	89 Å²	89	66.3 Å²	66.3	46%	0.456	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-109.4	150.2	165.3	56.5	168	0	0	0	110.8	C271 V325 F364	C271-I274 VanDerWaalsContact SG-CG2 3.6Å; I274-V325 CarbonylContact C-O 3.48Å; I274-V325 VanDerWaalsContact CA-O 3.29Å; I274-V325 WeakPolarHBondContact CA-O 3.48Å; I274-F364 VanDerWaalsContact C-CE2 3.49Å
275	S	94.6	Very high	90.3	Very high	4 Å²	4	63 Å²	63	3%	0.028	32%	0.323	C	S	.	.			trans	-69.8	145.6	-179.6	69.2	0	0	0	0	113.4	D279 L322 G324 V325 F364	S275-D279 WeakPolarHBondContact CA-OD2 3.25Å; S275-L322 PolarHBondContact OG-O 2.85Å; S275-G324 PolarHBondContact O-N 2.83Å; S275-G324 PolarHBondContact OG-N 2.91Å; S275-V325 PolarHBondContact N-O 3.15Å; S275-V325 VanDerWaalsContact OG-CG2 3.27Å; S275-V325 WeakPolarHBondContact OG-CG2 3.45Å; S275-V325 PolarHBondContact OG-N 3.12Å; S275-F364 VanDerWaalsContact N-CE2 3.31Å; S275-F364 VanDerWaalsContact N-CZ 3.27Å
276	Q	95.1	Very high	90.6	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	32%	0.318	S	S	*	.			trans	-131.3	162.6	-179.2	-56.8	-175.2	33.7	0	0	111.5	G278 D279 I309	Q276-G278 PolarHBondContact O-N 2.83Å; Q276-D279 PolarHBondContact N-OD2 3.31Å; Q276-D279 WeakPolarHBondContact O-CB 3.39Å; Q276-D279 PolarHBondContact O-N 2.92Å; Q276-I309 WeakPolarHBondContact O-CG1 3.47Å
277	S	95.3	Very high	90.8	Very high	64 Å²	64	57.5 Å²	57.5	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	131.1	175	165.5	0	0	0	0	110.3	I309 G310 Q311	S277-I309 WeakPolarHBondContact CA-O 3.11Å; S277-G310 PolarHBondContact OG-O 3.37Å; S277-Q311 PolarHBondContact OG-NE2 3.49Å
278	G	93.2	Very high	91.1	Very high	14 Å²	14	55 Å²	55	14%	0.144	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-6.7	-173.7	0	0	0	0	0	115.2	Q276 I309 N366	Q276-G278 PolarHBondContact O-N 2.83Å; G278-I309 PolarHBondContact N-O 3.1Å; G278-N366 PolarHBondContact O-ND2 3.31Å
279	D	93.7	Very high	91.5	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.272	C	S	.	.			trans	-68.7	137	166.6	-74	-20.5	0	0	0	110.3	R273 S275 Q276 Y308 I309 F364 H365 N366	R273-D279 IonicContact NE-OD2 2.67Å; R273-D279 IonicContact NH2-OD1 3.55Å; R273-D279 PolarHBondContact NH2-OD1 3Å; R273-D279 IonicContact NH2-OD2 3.28Å; S275-D279 WeakPolarHBondContact CA-OD2 3.25Å; Q276-D279 PolarHBondContact N-OD2 3.31Å; Q276-D279 WeakPolarHBondContact O-CB 3.39Å; Q276-D279 PolarHBondContact O-N 2.92Å; D279-Y308 WeakPolarHBondContact O-CA 3.16Å; D279-I309 PolarHBondContact O-N 3.08Å; D279-F364 HydrophobicContact CB-CD2 4.37Å; D279-F364 WeakPolarHBondContact OD2-CD2 3.28Å; D279-H365 CarbonylContact C-O 3.57Å; D279-H365 WeakPolarHBondContact CA-O 3.27Å; D279-N366 WeakPolarHBondContact OD1-CB 3.03Å; D279-N366 PolarHBondContact OD1-ND2 2.69Å
280	F	91.7	Very high	92	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.9	164.6	-173	-88.9	0	0	0	108.9	R282 D306 T307 Y308 F364 H365	F280-R282 HydrophobicContact CD1-CG 4.21Å; F280-R282 HydrophobicContact CE1-CG 3.76Å; F280-D306 HydrophobicContact CE1-CB 3.92Å; F280-D306 HydrophobicContact CE2-CB 4.45Å; F280-D306 HydrophobicContact CZ-CB 3.59Å; F280-T307 CarbonylContact C-O 3.31Å; F280-T307 WeakPolarHBondContact CA-O 3.4Å; F280-Y308 HydrophobicContact CB-CD1 3.87Å; F280-Y308 HydrophobicContact CB-CE1 3.68Å; F280-Y308 HydrophobicContact CD2-CD1 4.08Å; F280-Y308 AromaticContact CD2-CD2 3.97Å; F280-Y308 HydrophobicContact CD2-CD2 3.97Å; F280-Y308 AromaticContact CD2-CE1 3.77Å; F280-Y308 HydrophobicContact CD2-CE1 3.77Å; F280-Y308 AromaticContact CD2-CE2 3.64Å; F280-Y308 HydrophobicContact CD2-CE2 3.64Å; F280-Y308 HydrophobicContact CD2-CG 4.17Å; F280-Y308 AromaticContact CD2-CZ 3.53Å; F280-Y308 HydrophobicContact CE2-CE2 4.12Å; F280-Y308 HydrophobicContact CG-CE1 4.22Å; F280-F364 CarbonylContact O-C 3.6Å; F280-F364 WeakPolarHBondContact O-CA 3.37Å; F280-F364 VanDerWaalsContact O-CB 3.28Å; F280-F364 WeakPolarHBondContact O-CB 3.36Å; F280-H365 AromaticContact CD1-CE1 3.45Å; F280-H365 VanDerWaalsContact CD1-CE1 3.45Å; F280-H365 WeakPolarHBondContact CD1-CE1 3.48Å; F280-H365 AromaticContact CG-CE1 3.83Å; F280-H365 PolarHBondContact N-O 2.72Å; F280-H365 PolarHBondContact O-N 3.49Å
281	L	92.5	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.4	-171.2	-171.7	158.9	0	0	0	110.2	Y283 D306 T307 I309 L322 V325 V361 F364	L281-Y283 HydrophobicContact CD2-CD1 3.35Å; L281-Y283 HydrophobicContact CD2-CE1 4.21Å; L281-Y283 HydrophobicContact CD2-CG 3.84Å; L281-D306 WeakPolarHBondContact O-CA 3.28Å; L281-T307 PolarHBondContact N-O 2.86Å; L281-T307 PolarHBondContact O-N 3.14Å; L281-T307 VanDerWaalsContact O-N 3.12Å; L281-I309 HydrophobicContact CB-CG2 3.97Å; L281-I309 HydrophobicContact CD1-CD1 4Å; L281-I309 HydrophobicContact CD1-CG2 4.11Å; L281-L322 HydrophobicContact CD1-CB 4.38Å; L281-L322 HydrophobicContact CD2-CD2 4.49Å; L281-V325 HydrophobicContact CD1-CG2 3.56Å; L281-V361 HydrophobicContact CD2-CG1 4.46Å; L281-F364 HydrophobicContact CB-CB 3.87Å; L281-F364 HydrophobicContact CD1-CB 4.34Å; L281-F364 HydrophobicContact CD1-CD1 4.43Å; L281-F364 HydrophobicContact CG-CB 3.92Å
282	R	91.5	Very high	93	Very high	16 Å²	16	43.8 Å²	43.8	6%	0.06	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.7	175.7	-56.2	-167.6	-63.5	166.3	9.6	109.6	F280 T304 D306 I362 D363 G463 S464	F280-R282 HydrophobicContact CD1-CG 4.21Å; F280-R282 HydrophobicContact CE1-CG 3.76Å; R282-T304 HydrophobicContact CB-CG2 4.37Å; R282-D306 WeakPolarHBondContact CB-OD1 3.39Å; R282-D306 HydrophobicContact CG-CB 4.18Å; R282-D306 VanDerWaalsContact CG-OD1 3.28Å; R282-D306 WeakPolarHBondContact CG-OD1 2.99Å; R282-I362 WeakPolarHBondContact O-CB 3.33Å; R282-I362 PolarHBondContact O-N 3.06Å; R282-D363 IonicContact CZ-OD1 2.83Å; R282-D363 IonicContact CZ-OD2 3.77Å; R282-D363 PolarHBondContact N-O 2.82Å; R282-D363 IonicContact NE-OD1 3.41Å; R282-D363 PolarHBondContact NE-OD1 3.17Å; R282-D363 IonicContact NE-OD2 3.97Å; R282-D363 VanDerWaalsContact NH2-CG 3.29Å; R282-D363 IonicContact NH2-OD1 3.56Å; R282-D363 PolarHBondContact NH2-OD1 2.89Å; R282-D363 IonicContact NH2-OD2 2.7Å; R282-D363 PolarHBondContact NH2-OD2 3.01Å; R282-D363 PolarHBondContact O-N 2.86Å; R282-G463 PolarHBondContact NH1-O 2.92Å; R282-S464 PolarHBondContact NE-O 2.79Å
283	Y	94.4	Very high	93.7	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.8	-176.8	66.1	-76.2	0	0	0	112.9	L281 Y285 T304 F305 T307 M318 L322 I359 H360	L281-Y283 HydrophobicContact CD2-CD1 3.35Å; L281-Y283 HydrophobicContact CD2-CE1 4.21Å; L281-Y283 HydrophobicContact CD2-CG 3.84Å; Y283-Y285 HydrophobicContact CD2-CD1 4.07Å; Y283-Y285 AromaticContact CE2-CD1 3.56Å; Y283-Y285 HydrophobicContact CE2-CD1 3.56Å; Y283-Y285 HydrophobicContact CE2-CE1 4.37Å; Y283-Y285 HydrophobicContact CE2-CG 4.21Å; Y283-T304 CarbonylContact O-C 3.59Å; Y283-T304 WeakPolarHBondContact O-CA 3.49Å; Y283-F305 HydrophobicContact CD1-CB 4.49Å; Y283-F305 WeakPolarHBondContact CD1-O 3.4Å; Y283-F305 HydrophobicContact CE1-CB 4.18Å; Y283-F305 AromaticContact CE1-CD1 3.62Å; Y283-F305 HydrophobicContact CE1-CD1 3.62Å; Y283-F305 HydrophobicContact CE1-CE1 4.5Å; Y283-F305 HydrophobicContact CE1-CG 4.32Å; Y283-F305 HydrophobicContact CE2-CB 4.48Å; Y283-F305 AromaticContact CZ-CD1 3.69Å; Y283-F305 PolarHBondContact N-O 2.97Å; Y283-F305 PolarHBondContact O-N 3.4Å; Y283-F305 WeakPolarHBondContact OH-CD1 3.44Å; Y283-T307 HydrophobicContact CE1-CG2 4.23Å; Y283-M318 HydrophobicContact CE2-CE 4.02Å; Y283-L322 HydrophobicContact CD1-CD1 4.39Å; Y283-L322 HydrophobicContact CE1-CD1 3.77Å; Y283-L322 HydrophobicContact CE2-CD1 4.45Å; Y283-I359 HydrophobicContact CD2-CD1 3.99Å; Y283-I359 HydrophobicContact CD2-CG2 4Å; Y283-I359 HydrophobicContact CE2-CD1 3.91Å; Y283-I359 HydrophobicContact CG-CG2 4.48Å; Y283-H360 CarbonylContact C-O 3.56Å; Y283-H360 WeakPolarHBondContact CA-O 3.29Å; Y283-H360 WeakPolarHBondContact CB-O 3.29Å
284	H	96.3	Very high	94.2	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.157	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147.1	161.1	-76.7	-71.4	0	0	0	110.7	S298 Y299 R303 I359 H360	H284-S298 VanDerWaalsContact CA-OG 3.22Å; H284-S298 WeakPolarHBondContact CA-OG 3.29Å; H284-S298 WeakPolarHBondContact CB-OG 3.33Å; H284-S298 PolarHBondContact ND1-OG 3.44Å; H284-Y299 HydrophobicContact CB-CD1 4.45Å; H284-Y299 HydrophobicContact CB-CD2 4.44Å; H284-Y299 HydrophobicContact CB-CE1 3.77Å; H284-Y299 HydrophobicContact CB-CE2 3.77Å; H284-Y299 VanDerWaalsContact CB-CZ 3.4Å; H284-Y299 WeakPolarHBondContact CB-OH 3.46Å; H284-Y299 AromaticContact CG-CE1 3.67Å; H284-Y299 AromaticContact CG-CZ 3.87Å; H284-Y299 AromaticContact ND1-CD1 3.92Å; H284-Y299 AromaticContact ND1-CE1 3.96Å; H284-R303 VanDerWaalsContact CE1-C 3.43Å; H284-R303 PolarHBondContact CE1-O 2.78Å; H284-R303 VanDerWaalsContact CE1-O 3.23Å; H284-R303 PolarHBondContact ND1-O 3.25Å; H284-I359 CarbonylContact O-C 3.57Å; H284-I359 WeakPolarHBondContact O-CA 3.39Å; H284-H360 HydrophobicContact CB-CB 4.38Å; H284-H360 PolarHBondContact N-O 2.91Å; H284-H360 PolarHBondContact O-N 2.87Å
285	Y	97.3	Very high	94.3	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.8	169.5	68.2	-91.4	0	0	0	113.3	Y283 D296 S297 S298 R301 F305 F357 D358	Y283-Y285 HydrophobicContact CD2-CD1 4.07Å; Y283-Y285 AromaticContact CE2-CD1 3.56Å; Y283-Y285 HydrophobicContact CE2-CD1 3.56Å; Y283-Y285 HydrophobicContact CE2-CE1 4.37Å; Y283-Y285 HydrophobicContact CE2-CG 4.21Å; Y285-D296 HydrophobicContact CE2-CB 4.23Å; Y285-D296 WeakPolarHBondContact CE2-OD2 3.47Å; Y285-D296 PolarHBondContact OH-OD2 2.86Å; Y285-S297 PolarHBondContact O-OG 2.8Å; Y285-S298 PolarHBondContact N-OG 3.33Å; Y285-S298 PolarHBondContact O-N 2.83Å; Y285-S298 PolarHBondContact O-OG 3.33Å; Y285-R301 PolarHBondContact OH-NH2 2.74Å; Y285-F305 HydrophobicContact CD1-CB 4.03Å; Y285-F305 HydrophobicContact CE1-CB 3.65Å; Y285-F305 AromaticContact CE1-CD2 3.74Å; Y285-F305 HydrophobicContact CE1-CD2 3.74Å; Y285-F305 AromaticContact CE1-CG 3.82Å; Y285-F305 HydrophobicContact CE1-CG 3.82Å; Y285-F357 HydrophobicContact CD2-CD1 4.07Å; Y285-F357 HydrophobicContact CD2-CE1 4.4Å; Y285-F357 HydrophobicContact CE2-CE1 4.49Å; Y285-D358 CarbonylContact C-O 3.52Å; Y285-D358 VanDerWaalsContact CA-O 3.25Å; Y285-D358 WeakPolarHBondContact CA-O 3.37Å
286	N	98	Very high	94.4	Very high	55 Å²	55	38.3 Å²	38.3	29%	0.294	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.2	152.7	-70.2	-40.1	0	0	0	108.5	L294 S297 F357 D358	N286-L294 HydrophobicContact CB-CD1 4.2Å; N286-S297 VanDerWaalsContact OD1-CB 3.32Å; N286-S297 WeakPolarHBondContact OD1-CB 3.47Å; N286-S297 PolarHBondContact OD1-OG 2.53Å; N286-F357 WeakPolarHBondContact O-CA 3.44Å; N286-D358 PolarHBondContact N-O 2.94Å; N286-D358 PolarHBondContact O-N 2.95Å
287	G	97.6	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.4	177.8	0	0	0	0	0	111.3	L294 F295 D296 V356	G287-L294 WeakPolarHBondContact O-CD1 3.4Å; G287-F295 WeakPolarHBondContact O-CD1 3.15Å; G287-F295 PolarHBondContact O-N 3.36Å; G287-D296 PolarHBondContact N-O 3.34Å; G287-D296 PolarHBondContact O-N 2.95Å; G287-V356 WeakPolarHBondContact CA-O 3.36Å
288	T	97.4	Very high	94.5	Very high	22 Å²	22	30 Å²	30	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.2	177.6	57.7	0	0	0	0	111.2	T293 L294 F295 V356	T288-T293 CarbonylContact C-O 3.5Å; T288-T293 VanDerWaalsContact CA-O 3.25Å; T288-T293 WeakPolarHBondContact CA-O 3.25Å; T288-L294 HydrophobicContact CG2-CB 4.31Å; T288-L294 HydrophobicContact CG2-CD1 3.87Å; T288-F295 WeakPolarHBondContact O-CE1 3.16Å; T288-V356 PolarHBondContact N-O 2.86Å; T288-V356 PolarHBondContact O-N 2.99Å; T288-V356 PolarHBondContact OG1-O 2.98Å
289	L	95.5	Very high	94.5	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.089	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	168.6	162.4	-56.4	-177.2	0	0	0	110.1	D291 G292 T293 F295 I349 P350 A353 L355	L289-D291 WeakPolarHBondContact CB-OD1 3.47Å; L289-D291 PolarHBondContact O-N 3.34Å; L289-G292 WeakPolarHBondContact O-CA 3.35Å; L289-G292 PolarHBondContact O-N 3.34Å; L289-T293 HydrophobicContact CD1-CG2 4.47Å; L289-T293 PolarHBondContact N-O 2.74Å; L289-F295 HydrophobicContact CD2-CD1 3.89Å; L289-F295 HydrophobicContact CD2-CE1 4.38Å; L289-F295 HydrophobicContact CG-CD1 4.28Å; L289-I349 HydrophobicContact CD2-CG2 4.38Å; L289-P350 HydrophobicContact CD1-CG 4.31Å; L289-A353 HydrophobicContact CD2-CB 3.98Å; L289-L355 HydrophobicContact CD2-CD2 4.25Å
290	L	92.6	Very high	94.4	Very high	57 Å²	57	38.8 Å²	38.8	30%	0.298	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.6	-176.6	-168.7	57.6	0	0	0	114.2	V215 D252 G292 V354 V356	V215-L290 HydrophobicContact CB-CG 4.35Å; V215-L290 HydrophobicContact CG1-CB 4.37Å; V215-L290 HydrophobicContact CG1-CG 4.14Å; V215-L290 HydrophobicContact CG2-CD2 3.87Å; V215-L290 HydrophobicContact CG2-CG 4.17Å; D252-L290 WeakPolarHBondContact OD1-CD2 3.39Å; L290-G292 VanDerWaalsContact C-N 3.3Å; L290-V354 HydrophobicContact CB-CB 4.18Å; L290-V354 HydrophobicContact CB-CG1 4.38Å; L290-V354 HydrophobicContact CD1-CG1 4.42Å; L290-V354 HydrophobicContact CD2-CB 4.12Å; L290-V354 HydrophobicContact CD2-CG1 4.16Å; L290-V354 HydrophobicContact CD2-CG2 4.32Å; L290-V356 HydrophobicContact CD1-CG2 3.92Å
291	D	89.2	Confident	94.3	Very high	64 Å²	64	42.7 Å²	42.7	34%	0.342	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.6	170.4	70.7	-6.7	0	0	0	114.1	V215 L289 T293	V215-D291 HydrophobicContact CG1-CB 4.15Å; L289-D291 WeakPolarHBondContact CB-OD1 3.47Å; L289-D291 PolarHBondContact O-N 3.34Å; D291-T293 VanDerWaalsContact CG-OG1 3.27Å; D291-T293 WeakPolarHBondContact OD1-CB 3.47Å; D291-T293 PolarHBondContact OD1-N 2.89Å; D291-T293 PolarHBondContact OD1-OG1 2.88Å; D291-T293 PolarHBondContact OD2-OG1 2.93Å; D291-T293 VanDerWaalsContact OD2-OG1 3.07Å
292	G	90.8	Very high	94	Very high	50 Å²	50	49.9 Å²	49.9	52%	0.515	27%	0.27	S	S	.	.	S	Bend	trans	94.6	-0.9	-176.4	0	0	0	0	0	115.2	L289 L290 L294	L289-G292 WeakPolarHBondContact O-CA 3.35Å; L289-G292 PolarHBondContact O-N 3.34Å; L290-G292 VanDerWaalsContact C-N 3.3Å; G292-L294 PolarHBondContact O-N 3.08Å
293	T	92.3	Very high	93.8	Very high	73 Å²	73	57 Å²	57	45%	0.448	30%	0.297	S	S	.	.			trans	-65.4	113.1	178.7	-61.9	0	0	0	0	111	T288 L289 D291 F295	T288-T293 CarbonylContact C-O 3.5Å; T288-T293 VanDerWaalsContact CA-O 3.25Å; T288-T293 WeakPolarHBondContact CA-O 3.25Å; L289-T293 HydrophobicContact CD1-CG2 4.47Å; L289-T293 PolarHBondContact N-O 2.74Å; D291-T293 VanDerWaalsContact CG-OG1 3.27Å; D291-T293 WeakPolarHBondContact OD1-CB 3.47Å; D291-T293 PolarHBondContact OD1-N 2.89Å; D291-T293 PolarHBondContact OD1-OG1 2.88Å; D291-T293 PolarHBondContact OD2-OG1 2.93Å; D291-T293 VanDerWaalsContact OD2-OG1 3.07Å; T293-F295 PolarHBondContact O-N 2.81Å
294	L	96.1	Very high	93.6	Very high	103 Å²	103	58.1 Å²	58.1	54%	0.539	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	124	177.6	-171.4	78.3	0	0	0	111.2	N286 G287 T288 G292	N286-L294 HydrophobicContact CB-CD1 4.2Å; G287-L294 WeakPolarHBondContact O-CD1 3.4Å; T288-L294 HydrophobicContact CG2-CB 4.31Å; T288-L294 HydrophobicContact CG2-CD1 3.87Å; G292-L294 PolarHBondContact O-N 3.08Å
295	F	95.8	Very high	93.5	Very high	22 Å²	22	59.6 Å²	59.6	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-30.6	175.4	65.3	-104.5	0	0	0	113.4	G287 T288 L289 T293 N348 I349 L355 F357	G287-F295 WeakPolarHBondContact O-CD1 3.15Å; G287-F295 PolarHBondContact O-N 3.36Å; T288-F295 WeakPolarHBondContact O-CE1 3.16Å; L289-F295 HydrophobicContact CD2-CD1 3.89Å; L289-F295 HydrophobicContact CD2-CE1 4.38Å; L289-F295 HydrophobicContact CG-CD1 4.28Å; T293-F295 PolarHBondContact O-N 2.81Å; F295-N348 PolarHBondContact O-ND2 3.1Å; F295-I349 HydrophobicContact CB-CG1 4.05Å; F295-I349 HydrophobicContact CD1-CG1 4.32Å; F295-I349 HydrophobicContact CD2-CD1 3.57Å; F295-I349 HydrophobicContact CD2-CG1 3.73Å; F295-I349 HydrophobicContact CE2-CD1 3.63Å; F295-I349 HydrophobicContact CE2-CG1 4.24Å; F295-I349 HydrophobicContact CG-CD1 4.12Å; F295-I349 HydrophobicContact CG-CG1 3.79Å; F295-I349 HydrophobicContact CZ-CD1 4.19Å; F295-L355 HydrophobicContact CE1-CB 4.32Å; F295-L355 HydrophobicContact CE1-CD2 3.94Å; F295-L355 HydrophobicContact CZ-CB 4.33Å; F295-L355 HydrophobicContact CZ-CD2 4.19Å; F295-F357 HydrophobicContact CE2-CE1 4.1Å; F295-F357 HydrophobicContact CE2-CZ 4.31Å; F295-F357 AromaticContact CZ-CE1 3.74Å; F295-F357 HydrophobicContact CZ-CE1 3.74Å; F295-F357 AromaticContact CZ-CZ 3.76Å; F295-F357 HydrophobicContact CZ-CZ 3.76Å
296	D	95.4	Very high	93.2	Very high	51 Å²	51	62.4 Å²	62.4	27%	0.273	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159	177.8	-172.5	22.1	0	0	0	111.9	Y285 G287 R301	Y285-D296 HydrophobicContact CE2-CB 4.23Å; Y285-D296 WeakPolarHBondContact CE2-OD2 3.47Å; Y285-D296 PolarHBondContact OH-OD2 2.86Å; G287-D296 PolarHBondContact N-O 3.34Å; G287-D296 PolarHBondContact O-N 2.95Å; D296-R301 IonicContact OD1-CZ 2.71Å; D296-R301 IonicContact OD1-NE 2.73Å; D296-R301 IonicContact OD1-NH2 3.9Å; D296-R301 PolarHBondContact OD1-NH2 3.42Å; D296-R301 IonicContact OD2-CZ 2.61Å; D296-R301 IonicContact OD2-NH1 2.93Å; D296-R301 IonicContact OD2-NH2 3.96Å; D296-R301 PolarHBondContact OD2-NH2 2.76Å
297	S	96.8	Very high	93	Very high	9 Å²	9	60.3 Å²	60.3	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144	173.3	179.1	0	0	0	0	110.6	Y285 N286 Y299 S300 R301	Y285-S297 PolarHBondContact O-OG 2.8Å; N286-S297 VanDerWaalsContact OD1-CB 3.32Å; N286-S297 WeakPolarHBondContact OD1-CB 3.47Å; N286-S297 PolarHBondContact OD1-OG 2.53Å; S297-Y299 PolarHBondContact OG-N 2.7Å; S297-Y299 VanDerWaalsContact OG-N 3.13Å; S297-S300 PolarHBondContact O-OG 2.84Å; S297-R301 VanDerWaalsContact C-NH2 3.29Å; S297-R301 VanDerWaalsContact O-CZ 3.3Å; S297-R301 PolarHBondContact O-NE 2.81Å; S297-R301 PolarHBondContact O-NH2 2.83Å
298	S	96	Very high	92.8	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.014	33%	0.327	C	S	.	.	S	Bend	trans	-74.3	-36.1	167.6	62.5	0	0	0	0	111.8	H284 Y285 S300 R301 N302	H284-S298 VanDerWaalsContact CA-OG 3.22Å; H284-S298 WeakPolarHBondContact CA-OG 3.29Å; H284-S298 WeakPolarHBondContact CB-OG 3.33Å; H284-S298 PolarHBondContact ND1-OG 3.44Å; Y285-S298 PolarHBondContact N-OG 3.33Å; Y285-S298 PolarHBondContact O-N 2.83Å; Y285-S298 PolarHBondContact O-OG 3.33Å; S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 2.87Å; S298-R301 PolarHBondContact O-N 2.69Å; S298-N302 PolarHBondContact O-N 3.27Å
299	Y	92.9	Very high	92.7	Very high	107 Å²	107	62.2 Å²	62.2	42%	0.42	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64.1	-34.9	-177.2	-62.8	-79.5	0	0	0	112.2	H284 S297 R301 N302	H284-Y299 HydrophobicContact CB-CD1 4.45Å; H284-Y299 HydrophobicContact CB-CD2 4.44Å; H284-Y299 HydrophobicContact CB-CE1 3.77Å; H284-Y299 HydrophobicContact CB-CE2 3.77Å; H284-Y299 VanDerWaalsContact CB-CZ 3.4Å; H284-Y299 WeakPolarHBondContact CB-OH 3.46Å; H284-Y299 AromaticContact CG-CE1 3.67Å; H284-Y299 AromaticContact CG-CZ 3.87Å; H284-Y299 AromaticContact ND1-CD1 3.92Å; H284-Y299 AromaticContact ND1-CE1 3.96Å; S297-Y299 PolarHBondContact OG-N 2.7Å; S297-Y299 VanDerWaalsContact OG-N 3.13Å; Y299-R301 PolarHBondContact O-N 2.83Å; Y299-R301 VanDerWaalsContact O-N 3.16Å; Y299-N302 PolarHBondContact O-N 2.81Å
300	S	91.9	Very high	92.6	Very high	94 Å²	94	62.6 Å²	62.6	66%	0.657	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.2	-16.2	174.6	62.2	0	0	0	0	114	S297 S298	S297-S300 PolarHBondContact O-OG 2.84Å; S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 2.87Å
301	R	90.4	Very high	92.6	Very high	99 Å²	99	65.1 Å²	65.1	37%	0.374	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-104.1	1	176	-68.8	170.1	-78.4	176.5	-5.3	112.9	Y285 D296 S297 S298 Y299 R303	Y285-R301 PolarHBondContact OH-NH2 2.74Å; D296-R301 IonicContact OD1-CZ 2.71Å; D296-R301 IonicContact OD1-NE 2.73Å; D296-R301 IonicContact OD1-NH2 3.9Å; D296-R301 PolarHBondContact OD1-NH2 3.42Å; D296-R301 IonicContact OD2-CZ 2.61Å; D296-R301 IonicContact OD2-NH1 2.93Å; D296-R301 IonicContact OD2-NH2 3.96Å; D296-R301 PolarHBondContact OD2-NH2 2.76Å; S297-R301 VanDerWaalsContact C-NH2 3.29Å; S297-R301 VanDerWaalsContact O-CZ 3.3Å; S297-R301 PolarHBondContact O-NE 2.81Å; S297-R301 PolarHBondContact O-NH2 2.83Å; S298-R301 PolarHBondContact O-N 2.69Å; Y299-R301 PolarHBondContact O-N 2.83Å; Y299-R301 VanDerWaalsContact O-N 3.16Å; R301-R303 HydrophobicContact CB-CG 4.17Å; R301-R303 PolarHBondContact O-N 2.86Å
302	N	86.4	Confident	92.9	Very high	151 Å²	151	65 Å²	65	81%	0.807	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	40.2	-177.3	-161.1	61.5	0	0	0	114.4	S298 Y299	S298-N302 PolarHBondContact O-N 3.27Å; Y299-N302 PolarHBondContact O-N 2.81Å
303	R	86.9	Confident	93.1	Very high	166 Å²	166	70.2 Å²	70.2	63%	0.626	36%	0.358	S	S	*	.	S	Bend	trans	-150.8	158.9	175.6	67.3	-178.2	-160.1	-170.7	7.4	110.6	H284 R301	H284-R303 VanDerWaalsContact CE1-C 3.43Å; H284-R303 PolarHBondContact CE1-O 2.78Å; H284-R303 VanDerWaalsContact CE1-O 3.23Å; H284-R303 PolarHBondContact ND1-O 3.25Å; R301-R303 HydrophobicContact CB-CG 4.17Å; R301-R303 PolarHBondContact O-N 2.86Å
304	T	90.4	Very high	93.2	Very high	30 Å²	30	67.9 Å²	67.9	18%	0.184	34%	0.343	C	S	.	.			trans	-67.6	167.6	170.4	43.4	0	0	0	0	111.4	R282 Y283 D306 I362	R282-T304 HydrophobicContact CB-CG2 4.37Å; Y283-T304 CarbonylContact O-C 3.59Å; Y283-T304 WeakPolarHBondContact O-CA 3.49Å; T304-D306 WeakPolarHBondContact CB-OD1 3.42Å; T304-D306 PolarHBondContact OG1-OD1 3.23Å; T304-I362 HydrophobicContact CG2-CG1 3.91Å
305	F	93.3	Very high	93.3	Very high	65 Å²	65	63.8 Å²	63.8	29%	0.285	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.9	158.9	-168.2	-80.3	0	0	0	107.4	Y283 Y285 T307 V314	Y283-F305 HydrophobicContact CD1-CB 4.49Å; Y283-F305 WeakPolarHBondContact CD1-O 3.4Å; Y283-F305 HydrophobicContact CE1-CB 4.18Å; Y283-F305 AromaticContact CE1-CD1 3.62Å; Y283-F305 HydrophobicContact CE1-CD1 3.62Å; Y283-F305 HydrophobicContact CE1-CE1 4.5Å; Y283-F305 HydrophobicContact CE1-CG 4.32Å; Y283-F305 HydrophobicContact CE2-CB 4.48Å; Y283-F305 AromaticContact CZ-CD1 3.69Å; Y283-F305 PolarHBondContact N-O 2.97Å; Y283-F305 PolarHBondContact O-N 3.4Å; Y283-F305 WeakPolarHBondContact OH-CD1 3.44Å; Y285-F305 HydrophobicContact CD1-CB 4.03Å; Y285-F305 HydrophobicContact CE1-CB 3.65Å; Y285-F305 AromaticContact CE1-CD2 3.74Å; Y285-F305 HydrophobicContact CE1-CD2 3.74Å; Y285-F305 AromaticContact CE1-CG 3.82Å; Y285-F305 HydrophobicContact CE1-CG 3.82Å; F305-T307 HydrophobicContact CD1-CG2 4.49Å; F305-T307 HydrophobicContact CE1-CG2 4.26Å; F305-V314 HydrophobicContact CE1-CG1 3.67Å; F305-V314 HydrophobicContact CZ-CG1 4.13Å
306	D	91.3	Very high	93.3	Very high	73 Å²	73	66.2 Å²	66.2	39%	0.39	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.7	-168.2	-45.8	-41.1	0	0	0	108	F280 L281 R282 T304	F280-D306 HydrophobicContact CE1-CB 3.92Å; F280-D306 HydrophobicContact CE2-CB 4.45Å; F280-D306 HydrophobicContact CZ-CB 3.59Å; L281-D306 WeakPolarHBondContact O-CA 3.28Å; R282-D306 WeakPolarHBondContact CB-OD1 3.39Å; R282-D306 HydrophobicContact CG-CB 4.18Å; R282-D306 VanDerWaalsContact CG-OD1 3.28Å; R282-D306 WeakPolarHBondContact CG-OD1 2.99Å; T304-D306 WeakPolarHBondContact CB-OD1 3.42Å; T304-D306 PolarHBondContact OG1-OD1 3.23Å
307	T	93.4	Very high	93.4	Very high	12 Å²	12	63.8 Å²	63.8	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.5	-172.8	-152.7	0	0	0	0	112.9	F280 L281 Y283 F305 I309 Y313 V314	F280-T307 CarbonylContact C-O 3.31Å; F280-T307 WeakPolarHBondContact CA-O 3.4Å; L281-T307 PolarHBondContact N-O 2.86Å; L281-T307 PolarHBondContact O-N 3.14Å; L281-T307 VanDerWaalsContact O-N 3.12Å; Y283-T307 HydrophobicContact CE1-CG2 4.23Å; F305-T307 HydrophobicContact CD1-CG2 4.49Å; F305-T307 HydrophobicContact CE1-CG2 4.26Å; T307-I309 HydrophobicContact CG2-CG2 4.13Å; T307-Y313 WeakPolarHBondContact OG1-CB 3.49Å; T307-V314 HydrophobicContact CG2-CG1 3.91Å
308	Y	93.5	Very high	93.5	Very high	62 Å²	62	63.6 Å²	63.6	24%	0.243	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.3	169.2	-65.5	-84.5	0	0	0	109.4	D279 F280 Y313 P367	D279-Y308 WeakPolarHBondContact O-CA 3.16Å; F280-Y308 HydrophobicContact CB-CD1 3.87Å; F280-Y308 HydrophobicContact CB-CE1 3.68Å; F280-Y308 HydrophobicContact CD2-CD1 4.08Å; F280-Y308 AromaticContact CD2-CD2 3.97Å; F280-Y308 HydrophobicContact CD2-CD2 3.97Å; F280-Y308 AromaticContact CD2-CE1 3.77Å; F280-Y308 HydrophobicContact CD2-CE1 3.77Å; F280-Y308 AromaticContact CD2-CE2 3.64Å; F280-Y308 HydrophobicContact CD2-CE2 3.64Å; F280-Y308 HydrophobicContact CD2-CG 4.17Å; F280-Y308 AromaticContact CD2-CZ 3.53Å; F280-Y308 HydrophobicContact CE2-CE2 4.12Å; F280-Y308 HydrophobicContact CG-CE1 4.22Å; Y308-Y313 HydrophobicContact CD2-CE2 4.23Å; Y308-Y313 HydrophobicContact CG-CE2 4.37Å; Y308-P367 HydrophobicContact CE1-CG 3.63Å
309	I	95.5	Very high	93.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	149.8	-175.4	66.1	167.7	0	0	0	112.9	Q276 S277 G278 D279 L281 T307 Q311 L322 L323	Q276-I309 WeakPolarHBondContact O-CG1 3.47Å; S277-I309 WeakPolarHBondContact CA-O 3.11Å; G278-I309 PolarHBondContact N-O 3.1Å; D279-I309 PolarHBondContact O-N 3.08Å; L281-I309 HydrophobicContact CB-CG2 3.97Å; L281-I309 HydrophobicContact CD1-CD1 4Å; L281-I309 HydrophobicContact CD1-CG2 4.11Å; T307-I309 HydrophobicContact CG2-CG2 4.13Å; I309-Q311 VanDerWaalsContact C-N 3.29Å; I309-Q311 PolarHBondContact O-N 3.43Å; I309-L322 HydrophobicContact CD1-CB 4.44Å; I309-L322 WeakPolarHBondContact CD1-O 3.44Å; I309-L322 HydrophobicContact CG2-CB 3.91Å; I309-L322 HydrophobicContact CG2-CD1 3.94Å; I309-L323 HydrophobicContact CD1-CD2 3.91Å; I309-L323 HydrophobicContact CG1-CD2 4.39Å
310	G	93.5	Very high	93.7	Very high	24 Å²	24	63.8 Å²	63.8	25%	0.247	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	34.6	179.2	0	0	0	0	0	112.8	S277 D319	S277-G310 PolarHBondContact OG-O 3.37Å; G310-D319 VanDerWaalsContact CA-CG 3.49Å; G310-D319 VanDerWaalsContact CA-OD2 3.25Å; G310-D319 WeakPolarHBondContact CA-OD2 3.4Å; G310-D319 PolarHBondContact N-OD1 2.87Å; G310-D319 PolarHBondContact N-OD2 2.84Å
311	Q	93.5	Very high	93.9	Very high	111 Å²	111	59.3 Å²	59.3	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	3.5	-175.8	-65.4	-66	-23.7	0	0	112.8	S277 I309 Y313 D319	S277-Q311 PolarHBondContact OG-NE2 3.49Å; I309-Q311 VanDerWaalsContact C-N 3.29Å; I309-Q311 PolarHBondContact O-N 3.43Å; Q311-Y313 HydrophobicContact CB-CD2 3.7Å; Q311-Y313 HydrophobicContact CB-CE2 3.7Å; Q311-D319 PolarHBondContact N-OD2 3.15Å
312	G	94.6	Very high	94.2	Very high	61 Å²	61	54.6 Å²	54.6	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	12.6	175.8	0	0	0	0	0	116.1	D319	G312-D319 PolarHBondContact N-OD2 2.95Å
313	Y	94.3	Very high	94.7	Very high	159 Å²	159	50.5 Å²	50.5	62%	0.624	26%	0.259	S	S	*	.	S	Bend	trans	-78.3	-21.1	177.1	-67.7	-81.4	0	0	0	113.6	T307 Y308 Q311	T307-Y313 WeakPolarHBondContact OG1-CB 3.49Å; Y308-Y313 HydrophobicContact CD2-CE2 4.23Å; Y308-Y313 HydrophobicContact CG-CE2 4.37Å; Q311-Y313 HydrophobicContact CB-CD2 3.7Å; Q311-Y313 HydrophobicContact CB-CE2 3.7Å
314	V	95.4	Very high	95.1	Very high	24 Å²	24	44 Å²	44	15%	0.145	24%	0.244	C	C	.	.	S	Bend	trans	-119.9	176.1	173.1	-66.3	0	0	0	0	111.2	F305 T307 M318 D319	F305-V314 HydrophobicContact CE1-CG1 3.67Å; F305-V314 HydrophobicContact CZ-CG1 4.13Å; T307-V314 HydrophobicContact CG2-CG1 3.91Å; V314-M318 HydrophobicContact CB-CB 4.29Å; V314-M318 HydrophobicContact CG2-CB 3.89Å; V314-D319 HydrophobicContact CG2-CB 4Å; V314-D319 WeakPolarHBondContact CG2-OD1 3.36Å
315	I	97.1	Very high	95.3	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.092	24%	0.235	C	C	.	.			trans	-60.5	143.4	175.6	55.8	177.1	0	0	0	111.1	G317 M318 D319 V335 Y341 L355 F357	I315-G317 VanDerWaalsContact C-N 3.29Å; I315-G317 PolarHBondContact O-N 2.87Å; I315-G317 VanDerWaalsContact O-N 3.1Å; I315-M318 HydrophobicContact CD1-CG 3.9Å; I315-M318 HydrophobicContact CG1-CB 3.82Å; I315-M318 HydrophobicContact CG1-CG 3.65Å; I315-M318 WeakPolarHBondContact O-CB 3.42Å; I315-M318 PolarHBondContact O-N 3.21Å; I315-D319 PolarHBondContact O-N 3.06Å; I315-V335 HydrophobicContact CD1-CG1 4.46Å; I315-Y341 HydrophobicContact CG2-CD1 3.9Å; I315-Y341 HydrophobicContact CG2-CE1 3.35Å; I315-Y341 HydrophobicContact CG2-CE2 4.39Å; I315-L355 HydrophobicContact CD1-CD1 3.77Å; I315-F357 HydrophobicContact CD1-CE2 3.87Å; I315-F357 HydrophobicContact CD1-CZ 3.95Å
316	P	97.5	Very high	95.3	Very high	73 Å²	73	40 Å²	40	47%	0.474	23%	0.225	S	C	.	.	H	α-helix	trans	-50.5	-41.4	-171.7	-31.4	35.7	0	0	0	115.3	M318 D319 E320 L339	P316-M318 VanDerWaalsContact C-N 3.3Å; P316-M318 PolarHBondContact O-N 3.42Å; P316-D319 WeakPolarHBondContact O-CB 3.47Å; P316-D319 PolarHBondContact O-N 3.15Å; P316-E320 WeakPolarHBondContact O-CB 3.49Å; P316-E320 PolarHBondContact O-N 3.16Å; P316-L339 HydrophobicContact CB-CB 4.44Å; P316-L339 HydrophobicContact CB-CD2 4.16Å; P316-L339 WeakPolarHBondContact CD-O 3.48Å
317	G	97.3	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.5	-19.8	-179.7	0	0	0	0	0	114.8	I260 I315 G321 L339	I260-G317 VanDerWaalsContact CG2-CA 3.43Å; I315-G317 VanDerWaalsContact C-N 3.29Å; I315-G317 PolarHBondContact O-N 2.87Å; I315-G317 VanDerWaalsContact O-N 3.1Å; G317-G321 PolarHBondContact O-N 2.87Å; G317-L339 PolarHBondContact N-O 3.5Å
318	M	97.8	Very high	95.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-82.2	-37	168	-76.8	-57.1	-62.1	0	0	111.3	Y283 V314 I315 P316 E320 G321 L322 I333 F357 I359	Y283-M318 HydrophobicContact CE2-CE 4.02Å; V314-M318 HydrophobicContact CB-CB 4.29Å; V314-M318 HydrophobicContact CG2-CB 3.89Å; I315-M318 HydrophobicContact CD1-CG 3.9Å; I315-M318 HydrophobicContact CG1-CB 3.82Å; I315-M318 HydrophobicContact CG1-CG 3.65Å; I315-M318 WeakPolarHBondContact O-CB 3.42Å; I315-M318 PolarHBondContact O-N 3.21Å; P316-M318 VanDerWaalsContact C-N 3.3Å; P316-M318 PolarHBondContact O-N 3.42Å; M318-E320 VanDerWaalsContact C-N 3.3Å; M318-E320 PolarHBondContact O-N 2.63Å; M318-G321 PolarHBondContact O-N 3.42Å; M318-L322 HydrophobicContact CE-CD1 3.85Å; M318-L322 HydrophobicContact CE-CD2 4.07Å; M318-L322 HydrophobicContact CE-CG 3.87Å; M318-L322 VanDerWaalsContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CB 3.15Å; M318-L322 VanDerWaalsContact O-CG 3.25Å; M318-L322 WeakPolarHBondContact O-CG 3.48Å; M318-L322 PolarHBondContact O-N 3.19Å; M318-I333 HydrophobicContact CE-CD1 3.94Å; M318-I333 HydrophobicContact SD-CB 4.41Å; M318-I333 HydrophobicContact SD-CD1 3.85Å; M318-I333 HydrophobicContact SD-CG2 4.44Å; M318-F357 HydrophobicContact CG-CD2 4.15Å; M318-F357 HydrophobicContact CG-CE2 4Å; M318-F357 HydrophobicContact CG-CZ 4.36Å; M318-F357 HydrophobicContact SD-CB 4Å; M318-F357 HydrophobicContact SD-CD1 4.36Å; M318-F357 HydrophobicContact SD-CD2 3.5Å; M318-F357 VanDerWaalsContact SD-CD2 3.5Å; M318-F357 HydrophobicContact SD-CE2 3.98Å; M318-F357 HydrophobicContact SD-CG 3.71Å; M318-I359 HydrophobicContact CE-CD1 3.59Å; M318-I359 HydrophobicContact CE-CG1 4.29Å
319	D	96.7	Very high	95.2	Very high	18 Å²	18	36.8 Å²	36.8	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-37.8	176	-130	27.4	0	0	0	111.4	G310 Q311 G312 V314 I315 P316	G310-D319 VanDerWaalsContact CA-CG 3.49Å; G310-D319 VanDerWaalsContact CA-OD2 3.25Å; G310-D319 WeakPolarHBondContact CA-OD2 3.4Å; G310-D319 PolarHBondContact N-OD1 2.87Å; G310-D319 PolarHBondContact N-OD2 2.84Å; Q311-D319 PolarHBondContact N-OD2 3.15Å; G312-D319 PolarHBondContact N-OD2 2.95Å; V314-D319 HydrophobicContact CG2-CB 4Å; V314-D319 WeakPolarHBondContact CG2-OD1 3.36Å; I315-D319 PolarHBondContact O-N 3.06Å; P316-D319 WeakPolarHBondContact O-CB 3.47Å; P316-D319 PolarHBondContact O-N 3.15Å
320	E	96.9	Very high	95.2	Very high	95 Å²	95	41 Å²	41	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-74.3	-48.9	170.8	-172.3	-171.5	170.6	0	0	111.9	I260 P316 M318 L322 L323	I260-E320 HydrophobicContact CD1-CB 3.91Å; I260-E320 HydrophobicContact CD1-CG 3.65Å; I260-E320 HydrophobicContact CG1-CG 4.34Å; P316-E320 WeakPolarHBondContact O-CB 3.49Å; P316-E320 PolarHBondContact O-N 3.16Å; M318-E320 VanDerWaalsContact C-N 3.3Å; M318-E320 PolarHBondContact O-N 2.63Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 3.14Å; E320-L323 WeakPolarHBondContact O-CB 3.45Å; E320-L323 PolarHBondContact O-N 2.75Å
321	G	96.7	Very high	95.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.5	-16.4	-172.3	0	0	0	0	0	116.1	G317 M318 R331 I333	G317-G321 PolarHBondContact O-N 2.87Å; M318-G321 PolarHBondContact O-N 3.42Å; G321-R331 WeakPolarHBondContact O-CD 3.14Å; G321-R331 PolarHBondContact O-NH1 3.3Å; G321-I333 WeakPolarHBondContact O-CD1 3.41Å
322	L	97.3	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.9	173.9	-68.5	173.2	0	0	0	113.8	S275 L281 Y283 I309 M318 E320 V325 I333 I359	S275-L322 PolarHBondContact OG-O 2.85Å; L281-L322 HydrophobicContact CD1-CB 4.38Å; L281-L322 HydrophobicContact CD2-CD2 4.49Å; Y283-L322 HydrophobicContact CD1-CD1 4.39Å; Y283-L322 HydrophobicContact CE1-CD1 3.77Å; Y283-L322 HydrophobicContact CE2-CD1 4.45Å; I309-L322 HydrophobicContact CD1-CB 4.44Å; I309-L322 WeakPolarHBondContact CD1-O 3.44Å; I309-L322 HydrophobicContact CG2-CB 3.91Å; I309-L322 HydrophobicContact CG2-CD1 3.94Å; M318-L322 HydrophobicContact CE-CD1 3.85Å; M318-L322 HydrophobicContact CE-CD2 4.07Å; M318-L322 HydrophobicContact CE-CG 3.87Å; M318-L322 VanDerWaalsContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CB 3.15Å; M318-L322 VanDerWaalsContact O-CG 3.25Å; M318-L322 WeakPolarHBondContact O-CG 3.48Å; M318-L322 PolarHBondContact O-N 3.19Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 3.14Å; L322-V325 WeakPolarHBondContact O-CG1 3.18Å; L322-I333 HydrophobicContact CD2-CD1 4.3Å; L322-I333 HydrophobicContact CG-CD1 4.48Å; L322-I359 HydrophobicContact CD2-CG1 4.5Å; L322-I359 HydrophobicContact CD2-CG2 4.03Å
323	L	96.4	Very high	95.7	Very high	65 Å²	65	36 Å²	36	34%	0.34	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	149.2	171.7	-68	167.5	0	0	0	111	I309 E320 V325 R331	I309-L323 HydrophobicContact CD1-CD2 3.91Å; I309-L323 HydrophobicContact CG1-CD2 4.39Å; E320-L323 WeakPolarHBondContact O-CB 3.45Å; E320-L323 PolarHBondContact O-N 2.75Å; L323-V325 VanDerWaalsContact C-N 3.27Å; L323-V325 PolarHBondContact O-N 3.33Å; L323-R331 PolarHBondContact O-NH1 3.14Å
324	G	94.6	Very high	95.9	Very high	31 Å²	31	30.2 Å²	30.2	32%	0.32	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	34.1	179.6	0	0	0	0	0	113.6	S275 R331	S275-G324 PolarHBondContact O-N 2.83Å; S275-G324 PolarHBondContact OG-N 2.91Å; G324-R331 PolarHBondContact O-NH2 3.19Å
325	V	95	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-83.6	148.8	169.9	-63.4	0	0	0	0	111.7	I274 S275 L281 L322 L323 E329 V361 F364	I274-V325 CarbonylContact C-O 3.48Å; I274-V325 VanDerWaalsContact CA-O 3.29Å; I274-V325 WeakPolarHBondContact CA-O 3.48Å; S275-V325 PolarHBondContact N-O 3.15Å; S275-V325 VanDerWaalsContact OG-CG2 3.27Å; S275-V325 WeakPolarHBondContact OG-CG2 3.45Å; S275-V325 PolarHBondContact OG-N 3.12Å; L281-V325 HydrophobicContact CD1-CG2 3.56Å; L322-V325 WeakPolarHBondContact O-CG1 3.18Å; L323-V325 VanDerWaalsContact C-N 3.27Å; L323-V325 PolarHBondContact O-N 3.33Å; V325-E329 VanDerWaalsContact CA-OE2 3.27Å; V325-E329 WeakPolarHBondContact CA-OE2 3.49Å; V325-V361 HydrophobicContact CB-CG2 3.9Å; V325-V361 HydrophobicContact CG1-CG2 3.9Å; V325-V361 HydrophobicContact CG2-CG1 3.99Å; V325-V361 HydrophobicContact CG2-CG2 3.93Å; V325-F364 HydrophobicContact CG2-CD1 4.03Å; V325-F364 HydrophobicContact CG2-CE1 3.81Å; V325-F364 WeakPolarHBondContact O-CE1 3.44Å; V325-F364 VanDerWaalsContact O-CZ 3.29Å; V325-F364 WeakPolarHBondContact O-CZ 3.19Å
326	C	93.4	Very high	96	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.061	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-88.1	154.3	162.8	-56.8	0	0	0	0	111.1	V267 C271 E329	V267-C326 HydrophobicContact CG1-CB 4.49Å; C271-C326 HydrophobicContact CB-CB 3.82Å; C271-C326 WeakPolarHBondContact CB-SG 3.48Å; C271-C326 WeakPolarHBondContact SG-CB 3.4Å; C271-C326 CovalentContact SG-SG 2.03Å; C271-C326 PolarHBondContact SG-SG 2.99Å; C326-E329 HydrophobicContact CB-CB 4.15Å; C326-E329 PolarHBondContact N-OE2 3.41Å; C326-E329 WeakPolarHBondContact O-CB 3.43Å; C326-E329 PolarHBondContact O-N 3.15Å
327	I	90.3	Very high	96	Very high	53 Å²	53	25.2 Å²	25.2	27%	0.272	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	133.5	170.4	-64.9	-177.7	0	0	0	108.5	P268 E329 I362 F364 L401	P268-I327 WeakPolarHBondContact CG-O 3.13Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 2.84Å; I327-I362 WeakPolarHBondContact CG2-O 3.37Å; I327-F364 HydrophobicContact CB-CE1 4.49Å; I327-F364 HydrophobicContact CD1-CE1 4.36Å; I327-F364 HydrophobicContact CG1-CD1 3.85Å; I327-F364 HydrophobicContact CG1-CE1 3.41Å; I327-F364 VanDerWaalsContact CG1-CE1 3.41Å; I327-F364 HydrophobicContact CG1-CZ 3.94Å; I327-L401 HydrophobicContact CD1-CD1 3.95Å
328	G	90	Very high	95.9	Very high	26 Å²	26	30 Å²	30	27%	0.268	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	2	-173.4	0	0	0	0	0	115.7	V361	G328-V361 WeakPolarHBondContact CA-O 3.45Å; G328-V361 PolarHBondContact N-O 3.04Å; G328-V361 VanDerWaalsContact N-O 3.14Å
329	E	94.8	Very high	95.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	17%	0.165	C	C	.	.			trans	-67.1	145.9	-178.7	-161.2	-170.5	137.5	0	0	112.7	V266 V267 V325 C326 I327 R331 H360 V361	V266-E329 WeakPolarHBondContact O-CA 3.25Å; V266-E329 WeakPolarHBondContact O-CG 3.34Å; V267-E329 HydrophobicContact CG2-CG 4.23Å; V325-E329 VanDerWaalsContact CA-OE2 3.27Å; V325-E329 WeakPolarHBondContact CA-OE2 3.49Å; C326-E329 HydrophobicContact CB-CB 4.15Å; C326-E329 PolarHBondContact N-OE2 3.41Å; C326-E329 WeakPolarHBondContact O-CB 3.43Å; C326-E329 PolarHBondContact O-N 3.15Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 2.84Å; E329-R331 VanDerWaalsContact CD-NH2 3.29Å; E329-R331 IonicContact OE1-CZ 2.66Å; E329-R331 VanDerWaalsContact OE1-CZ 3.24Å; E329-R331 IonicContact OE1-NE 2.99Å; E329-R331 PolarHBondContact OE1-NE 2.81Å; E329-R331 IonicContact OE1-NH2 2.96Å; E329-R331 PolarHBondContact OE1-NH2 2.89Å; E329-R331 IonicContact OE2-CZ 3.18Å; E329-R331 IonicContact OE2-NE 2.71Å; E329-R331 IonicContact OE2-NH2 3.82Å; E329-R331 PolarHBondContact OE2-NH2 2.92Å; E329-H360 WeakPolarHBondContact O-CA 3.49Å; E329-V361 HydrophobicContact CB-CG2 4.46Å; E329-V361 PolarHBondContact O-N 3.31Å
330	K	96.5	Very high	95.9	Very high	89 Å²	89	31.2 Å²	31.2	39%	0.387	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.7	167	-62.7	171.5	-175.8	167.4	0	109.5	K265 V266 I359 H360	K265-K330 WeakPolarHBondContact CA-O 3.49Å; K265-K330 WeakPolarHBondContact CB-O 3.33Å; K265-K330 PolarHBondContact N-O 3.27Å; V266-K330 HydrophobicContact CB-CB 4.09Å; V266-K330 HydrophobicContact CG2-CB 4.32Å; V266-K330 HydrophobicContact CG2-CD 4.31Å; V266-K330 PolarHBondContact N-O 2.91Å; V266-K330 PolarHBondContact O-N 2.79Å; K330-I359 VanDerWaalsContact CA-O 3.25Å; K330-I359 WeakPolarHBondContact CA-O 3.27Å; K330-H360 WeakPolarHBondContact CE-CD2 3.42Å; K330-H360 WeakPolarHBondContact CE-NE2 3.34Å; K330-H360 HydrophobicContact CG-CB 4.09Å
331	R	97.1	Very high	95.9	Very high	10 Å²	10	30 Å²	30	4%	0.038	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.1	175.4	60.4	170.8	60	164	5.8	111	I262 E263 G321 L323 G324 E329 I333 I359	I262-R331 HydrophobicContact CG2-CB 4.27Å; E263-R331 CarbonylContact O-C 3.48Å; E263-R331 WeakPolarHBondContact O-CA 3.4Å; G321-R331 WeakPolarHBondContact O-CD 3.14Å; G321-R331 PolarHBondContact O-NH1 3.3Å; L323-R331 PolarHBondContact O-NH1 3.14Å; G324-R331 PolarHBondContact O-NH2 3.19Å; E329-R331 VanDerWaalsContact CD-NH2 3.29Å; E329-R331 IonicContact OE1-CZ 2.66Å; E329-R331 VanDerWaalsContact OE1-CZ 3.24Å; E329-R331 IonicContact OE1-NE 2.99Å; E329-R331 PolarHBondContact OE1-NE 2.81Å; E329-R331 IonicContact OE1-NH2 2.96Å; E329-R331 PolarHBondContact OE1-NH2 2.89Å; E329-R331 IonicContact OE2-CZ 3.18Å; E329-R331 IonicContact OE2-NE 2.71Å; E329-R331 IonicContact OE2-NH2 3.82Å; E329-R331 PolarHBondContact OE2-NH2 2.92Å; R331-I333 HydrophobicContact CG-CG1 4.33Å; R331-I359 HydrophobicContact CG-CB 4.25Å; R331-I359 PolarHBondContact N-O 3.3Å; R331-I359 WeakPolarHBondContact O-CB 3.22Å; R331-I359 PolarHBondContact O-N 2.98Å
332	R	97.8	Very high	95.8	Very high	79 Å²	79	31.2 Å²	31.2	30%	0.298	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.9	166.7	171	173	-77	-165	-11.6	109	I262 E263 K265 V334 V356 F357 D358	I262-R332 WeakPolarHBondContact CA-O 3.47Å; E263-R332 HydrophobicContact CB-CB 4.21Å; E263-R332 PolarHBondContact N-O 2.94Å; E263-R332 PolarHBondContact O-N 3.03Å; E263-R332 WeakPolarHBondContact OE2-CD 3.46Å; K265-R332 HydrophobicContact CD-CB 4.4Å; K265-R332 VanDerWaalsContact NZ-NE 3.12Å; R332-V334 HydrophobicContact CG-CG2 4.46Å; R332-V356 HydrophobicContact CG-CG1 3.84Å; R332-F357 CarbonylContact C-O 3.57Å; R332-F357 VanDerWaalsContact CA-O 3.28Å; R332-F357 WeakPolarHBondContact CA-O 3.42Å; R332-D358 WeakPolarHBondContact CB-OD1 3.33Å; R332-D358 IonicContact CZ-OD1 3.71Å; R332-D358 IonicContact CZ-OD2 2.98Å; R332-D358 IonicContact NE-OD1 2.67Å; R332-D358 PolarHBondContact NE-OD1 2.86Å; R332-D358 IonicContact NE-OD2 2.72Å; R332-D358 IonicContact NH2-OD1 2.73Å; R332-D358 PolarHBondContact NH2-OD1 2.87Å; R332-D358 IonicContact NH2-OD2 3.6Å; R332-D358 PolarHBondContact NH2-OD2 2.86Å
333	I	98	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.6	176.4	-52.8	165.9	0	0	0	107.6	S261 M318 G321 L322 R331 V335 F357 I359	S261-I333 CarbonylContact O-C 3.59Å; S261-I333 WeakPolarHBondContact O-CA 3.4Å; M318-I333 HydrophobicContact CE-CD1 3.94Å; M318-I333 HydrophobicContact SD-CB 4.41Å; M318-I333 HydrophobicContact SD-CD1 3.85Å; M318-I333 HydrophobicContact SD-CG2 4.44Å; G321-I333 WeakPolarHBondContact O-CD1 3.41Å; L322-I333 HydrophobicContact CD2-CD1 4.3Å; L322-I333 HydrophobicContact CG-CD1 4.48Å; R331-I333 HydrophobicContact CG-CG1 4.33Å; I333-V335 HydrophobicContact CG2-CG2 3.8Å; I333-F357 PolarHBondContact N-O 2.96Å; I333-F357 PolarHBondContact O-N 3.01Å; I333-I359 HydrophobicContact CD1-CG1 3.78Å; I333-I359 HydrophobicContact CG1-CG1 4.28Å
334	V	97.3	Very high	95.5	Very high	39 Å²	39	44.7 Å²	44.7	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.1	172	-174.7	0	0	0	0	108	I260 S261 R332 V354 L355 V356	I260-V334 CarbonylContact C-O 3.31Å; I260-V334 VanDerWaalsContact CA-O 3.25Å; I260-V334 WeakPolarHBondContact CA-O 3.5Å; I260-V334 WeakPolarHBondContact CB-O 3.25Å; S261-V334 PolarHBondContact N-O 3.26Å; S261-V334 PolarHBondContact O-N 2.97Å; R332-V334 HydrophobicContact CG-CG2 4.46Å; V334-V354 HydrophobicContact CG1-CG1 3.45Å; V334-V354 VanDerWaalsContact CG1-CG1 3.45Å; V334-L355 CarbonylContact C-O 3.57Å; V334-L355 WeakPolarHBondContact CA-O 3.37Å; V334-V356 HydrophobicContact CG1-CG2 4.34Å; V334-V356 HydrophobicContact CG2-CG1 4.41Å; V334-V356 HydrophobicContact CG2-CG2 4.3Å
335	V	98.1	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.6	-172.8	-178.6	0	0	0	0	109.7	I260 I315 I333 L339 V354 L355 F357	I260-V335 HydrophobicContact CG2-CG2 4.22Å; I315-V335 HydrophobicContact CD1-CG1 4.46Å; I333-V335 HydrophobicContact CG2-CG2 3.8Å; V335-L339 HydrophobicContact CG1-CB 3.85Å; V335-L339 WeakPolarHBondContact CG1-O 3.48Å; V335-V354 WeakPolarHBondContact O-CA 3.41Å; V335-L355 HydrophobicContact CB-CB 4.35Å; V335-L355 PolarHBondContact N-O 2.91Å; V335-L355 PolarHBondContact O-N 2.03Å; V335-F357 HydrophobicContact CG2-CD2 4.19Å; V335-F357 HydrophobicContact CG2-CE2 4.26Å
336	P	96.9	Very high	95.5	Very high	5 Å²	5	52 Å²	52	3%	0.032	26%	0.257	C	S	.	.			trans	-70.4	158.3	174.1	30.9	-34.9	0	0	0	110.8	D258 H338 L339 G340	D258-P336 HydrophobicContact CB-CB 4.25Å; D258-P336 HydrophobicContact CB-CG 4.36Å; D258-P336 WeakPolarHBondContact O-CG 3.33Å; P336-H338 VanDerWaalsContact C-N 3.28Å; P336-H338 PolarHBondContact O-N 3.46Å; P336-H338 VanDerWaalsContact O-N 3.13Å; P336-L339 HydrophobicContact CG-CB 4.39Å; P336-L339 HydrophobicContact CG-CD1 4.02Å; P336-L339 HydrophobicContact CG-CG 4.22Å; P336-L339 PolarHBondContact O-N 3.17Å; P336-G340 PolarHBondContact O-N 2.61Å
337	P	96.5	Very high	95.5	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.032	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-62.8	-33.1	-164.5	-18.6	27.8	0	0	0	114	H254 L339 G340 Y341 G342 S352 A353	H254-P337 VanDerWaalsContact CE1-CG 3.47Å; H254-P337 WeakPolarHBondContact CE1-CG 3.31Å; P337-L339 PolarHBondContact O-N 2.8Å; P337-G340 CarbonylContact O-C 3.53Å; P337-G340 WeakPolarHBondContact O-CA 3.37Å; P337-G340 PolarHBondContact O-N 2.75Å; P337-Y341 PolarHBondContact O-N 2.99Å; P337-G342 WeakPolarHBondContact O-CA 3.28Å; P337-G342 PolarHBondContact O-N 2.93Å; P337-S352 VanDerWaalsContact CG-C 3.41Å; P337-S352 WeakPolarHBondContact CG-O 3.34Å; P337-A353 WeakPolarHBondContact CG-O 3.2Å
338	H	95.5	Very high	95.6	Very high	99 Å²	99	58.4 Å²	58.4	46%	0.458	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-71.2	-12.3	179.1	67.9	-97.5	0	0	0	113.8	D258 P336	D258-H338 PolarHBondContact O-CE1 3.07Å; D258-H338 PolarHBondContact O-NE2 3.03Å; P336-H338 VanDerWaalsContact C-N 3.28Å; P336-H338 PolarHBondContact O-N 3.46Å; P336-H338 VanDerWaalsContact O-N 3.13Å
339	L	97.4	Very high	95.9	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.178	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-105.5	6	167.5	-58.8	179.3	0	0	0	112.2	I260 P316 G317 V335 P336 P337	I260-L339 HydrophobicContact CG2-CD1 3.78Å; P316-L339 HydrophobicContact CB-CB 4.44Å; P316-L339 HydrophobicContact CB-CD2 4.16Å; P316-L339 WeakPolarHBondContact CD-O 3.48Å; G317-L339 PolarHBondContact N-O 3.5Å; V335-L339 HydrophobicContact CG1-CB 3.85Å; V335-L339 WeakPolarHBondContact CG1-O 3.48Å; P336-L339 HydrophobicContact CG-CB 4.39Å; P336-L339 HydrophobicContact CG-CD1 4.02Å; P336-L339 HydrophobicContact CG-CG 4.22Å; P336-L339 PolarHBondContact O-N 3.17Å; P337-L339 PolarHBondContact O-N 2.8Å
340	G	97.1	Very high	95.9	Very high	14 Å²	14	60.4 Å²	60.4	14%	0.144	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-115.7	-177.6	0	0	0	0	0	112.7	P336 P337	P336-G340 PolarHBondContact O-N 2.61Å; P337-G340 CarbonylContact O-C 3.53Å; P337-G340 WeakPolarHBondContact O-CA 3.37Å; P337-G340 PolarHBondContact O-N 2.75Å
341	Y	96.7	Very high	95.7	Very high	70 Å²	70	57.1 Å²	57.1	28%	0.275	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	16.4	-178.3	-60.5	-60.9	0	0	0	114.3	I315 P337 G345 R346 I349 L355	I315-Y341 HydrophobicContact CG2-CD1 3.9Å; I315-Y341 HydrophobicContact CG2-CE1 3.35Å; I315-Y341 HydrophobicContact CG2-CE2 4.39Å; P337-Y341 PolarHBondContact O-N 2.99Å; Y341-G345 PolarHBondContact O-N 2.9Å; Y341-R346 HydrophobicContact CD1-CB 3.99Å; Y341-R346 HydrophobicContact CD2-CB 4.09Å; Y341-R346 HydrophobicContact CE1-CB 4.43Å; Y341-R346 VanDerWaalsContact CE1-CD 3.42Å; Y341-R346 HydrophobicContact CG-CB 3.81Å; Y341-I349 HydrophobicContact CD2-CD1 3.58Å; Y341-I349 HydrophobicContact CD2-CG2 4.25Å; Y341-I349 HydrophobicContact CE2-CD1 3.38Å; Y341-L355 HydrophobicContact CD2-CD1 3.78Å; Y341-L355 HydrophobicContact CE2-CD1 3.9Å
342	G	94.8	Very high	95.6	Very high	26 Å²	26	57.3 Å²	57.3	27%	0.268	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-157.3	171.9	0	0	0	0	0	115.2	P337 E344 S352	P337-G342 WeakPolarHBondContact O-CA 3.28Å; P337-G342 PolarHBondContact O-N 2.93Å; G342-E344 VanDerWaalsContact C-N 3.33Å; G342-S352 WeakPolarHBondContact O-CA 3.48Å; G342-S352 PolarHBondContact O-N 3.13Å
343	E	93	Very high	95.5	Very high	159 Å²	159	53.8 Å²	53.8	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.4	179.8	-58.8	-172.7	161.6	0	0	113.1	G351	E343-G351 WeakPolarHBondContact O-CA 3.42Å
344	E	93.9	Very high	95.4	Very high	189 Å²	189	54 Å²	54	88%	0.883	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-33.8	179.8	-60.6	-171.6	160.3	0	0	112.7	G342	G342-E344 VanDerWaalsContact C-N 3.33Å
345	G	94.2	Very high	95.5	Very high	18 Å²	18	52.2 Å²	52.2	19%	0.186	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-163.4	-174.1	0	0	0	0	0	112.6	Y341 I349	Y341-G345 PolarHBondContact O-N 2.9Å; G345-I349 WeakPolarHBondContact CA-O 3.25Å
346	R	95.8	Very high	95.4	Very high	165 Å²	165	52.6 Å²	52.6	62%	0.623	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159	113.3	-180	-172.1	172.3	177.8	151.1	-4.6	112.8	Y341 N348 I349	Y341-R346 HydrophobicContact CD1-CB 3.99Å; Y341-R346 HydrophobicContact CD2-CB 4.09Å; Y341-R346 HydrophobicContact CE1-CB 4.43Å; Y341-R346 VanDerWaalsContact CE1-CD 3.42Å; Y341-R346 HydrophobicContact CG-CB 3.81Å; R346-N348 PolarHBondContact O-N 3.39Å; R346-N348 VanDerWaalsContact O-N 3.13Å; R346-I349 PolarHBondContact N-O 2.95Å; R346-I349 WeakPolarHBondContact O-CB 3.4Å; R346-I349 PolarHBondContact O-N 3.05Å
347	G	93.9	Very high	95.5	Very high	88 Å²	88	52.9 Å²	52.9	91%	0.907	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-110.1	173.9	0	0	0	0	0	112.2
348	N	92.9	Very high	95.6	Very high	110 Å²	110	54.6 Å²	54.6	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-7.4	173.4	61.8	-26.3	0	0	0	113.8	F295 R346 P350	F295-N348 PolarHBondContact O-ND2 3.1Å; R346-N348 PolarHBondContact O-N 3.39Å; R346-N348 VanDerWaalsContact O-N 3.13Å; N348-P350 WeakPolarHBondContact O-CD 3.19Å
349	I	95.9	Very high	95.7	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.6	174.4	-56.9	170.7	0	0	0	108.2	L289 F295 Y341 G345 R346 A353 L355	L289-I349 HydrophobicContact CD2-CG2 4.38Å; F295-I349 HydrophobicContact CB-CG1 4.05Å; F295-I349 HydrophobicContact CD1-CG1 4.32Å; F295-I349 HydrophobicContact CD2-CD1 3.57Å; F295-I349 HydrophobicContact CD2-CG1 3.73Å; F295-I349 HydrophobicContact CE2-CD1 3.63Å; F295-I349 HydrophobicContact CE2-CG1 4.24Å; F295-I349 HydrophobicContact CG-CD1 4.12Å; F295-I349 HydrophobicContact CG-CG1 3.79Å; F295-I349 HydrophobicContact CZ-CD1 4.19Å; Y341-I349 HydrophobicContact CD2-CD1 3.58Å; Y341-I349 HydrophobicContact CD2-CG2 4.25Å; Y341-I349 HydrophobicContact CE2-CD1 3.38Å; G345-I349 WeakPolarHBondContact CA-O 3.25Å; R346-I349 PolarHBondContact N-O 2.95Å; R346-I349 WeakPolarHBondContact O-CB 3.4Å; R346-I349 PolarHBondContact O-N 3.05Å; I349-A353 HydrophobicContact CG2-CB 3.87Å; I349-L355 HydrophobicContact CD1-CD2 4.48Å; I349-L355 HydrophobicContact CG2-CD2 3.6Å
350	P	93.8	Very high	95.6	Very high	59 Å²	59	50.7 Å²	50.7	38%	0.383	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	153.9	-178.2	9.8	2.2	0	0	0	111.8	R170 L289 N348 A353	R170-P350 PolarHBondContact NH1-O 3.3Å; R170-P350 VanDerWaalsContact NH1-O 3.08Å; L289-P350 HydrophobicContact CD1-CG 4.31Å; N348-P350 WeakPolarHBondContact O-CD 3.19Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.87Å
351	G	94.2	Very high	95.5	Very high	20 Å²	20	50 Å²	50	21%	0.206	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	142.9	178.6	0	0	0	0	0	114.9	R170 E343 A353	R170-G351 WeakPolarHBondContact CD-O 3.37Å; R170-G351 PolarHBondContact NH1-O 3.31Å; E343-G351 WeakPolarHBondContact O-CA 3.42Å; G351-A353 VanDerWaalsContact C-N 3.27Å; G351-A353 PolarHBondContact O-N 2.93Å
352	S	94.1	Very high	95.2	Very high	14 Å²	14	48.7 Å²	48.7	10%	0.098	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	33.1	-175.7	-58.6	0	0	0	0	114.6	F168 R170 P337 G342	F168-S352 VanDerWaalsContact CE1-CB 3.48Å; R170-S352 PolarHBondContact NE-O 2.83Å; P337-S352 VanDerWaalsContact CG-C 3.41Å; P337-S352 WeakPolarHBondContact CG-O 3.34Å; G342-S352 WeakPolarHBondContact O-CA 3.48Å; G342-S352 PolarHBondContact O-N 3.13Å
353	A	95.7	Very high	94.8	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	26%	0.264	C	S	.	.			trans	-79.2	133.4	175	0	0	0	0	0	114	R170 D252 L289 P337 I349 P350 G351 L355	R170-A353 VanDerWaalsContact CZ-CA 3.47Å; R170-A353 VanDerWaalsContact NH2-CB 3.34Å; D252-A353 WeakPolarHBondContact OD2-CA 3.41Å; L289-A353 HydrophobicContact CD2-CB 3.98Å; P337-A353 WeakPolarHBondContact CG-O 3.2Å; I349-A353 HydrophobicContact CG2-CB 3.87Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.87Å; G351-A353 VanDerWaalsContact C-N 3.27Å; G351-A353 PolarHBondContact O-N 2.93Å; A353-L355 HydrophobicContact CB-CD2 4Å
354	V	96.6	Very high	94.7	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	23%	0.229	C	C	.	.			trans	-76.1	132.1	158.4	178.4	0	0	0	0	108.6	D252 H254 L290 V334 V335	D252-V354 VanDerWaalsContact OD1-CB 3.29Å; D252-V354 WeakPolarHBondContact OD1-CB 3.02Å; D252-V354 WeakPolarHBondContact OD1-CG2 3.01Å; D252-V354 PolarHBondContact OD2-N 3.37Å; H254-V354 HydrophobicContact CB-CG2 3.66Å; L290-V354 HydrophobicContact CB-CB 4.18Å; L290-V354 HydrophobicContact CB-CG1 4.38Å; L290-V354 HydrophobicContact CD1-CG1 4.42Å; L290-V354 HydrophobicContact CD2-CB 4.12Å; L290-V354 HydrophobicContact CD2-CG1 4.16Å; L290-V354 HydrophobicContact CD2-CG2 4.32Å; V334-V354 HydrophobicContact CG1-CG1 3.45Å; V334-V354 VanDerWaalsContact CG1-CG1 3.45Å; V335-V354 WeakPolarHBondContact O-CA 3.41Å
355	L	97.9	Very high	94.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.8	179.5	-45.9	178.7	0	0	0	109.4	L289 F295 I315 V334 V335 Y341 I349 A353 F357	L289-L355 HydrophobicContact CD2-CD2 4.25Å; F295-L355 HydrophobicContact CE1-CB 4.32Å; F295-L355 HydrophobicContact CE1-CD2 3.94Å; F295-L355 HydrophobicContact CZ-CB 4.33Å; F295-L355 HydrophobicContact CZ-CD2 4.19Å; I315-L355 HydrophobicContact CD1-CD1 3.77Å; V334-L355 CarbonylContact C-O 3.57Å; V334-L355 WeakPolarHBondContact CA-O 3.37Å; V335-L355 HydrophobicContact CB-CB 4.35Å; V335-L355 PolarHBondContact N-O 2.91Å; V335-L355 PolarHBondContact O-N 2.03Å; Y341-L355 HydrophobicContact CD2-CD1 3.78Å; Y341-L355 HydrophobicContact CE2-CD1 3.9Å; I349-L355 HydrophobicContact CD1-CD2 4.48Å; I349-L355 HydrophobicContact CG2-CD2 3.6Å; A353-L355 HydrophobicContact CB-CD2 4Å; L355-F357 HydrophobicContact CB-CD2 4.2Å; L355-F357 HydrophobicContact CB-CE2 3.54Å; L355-F357 HydrophobicContact CB-CZ 4.14Å; L355-F357 HydrophobicContact CD1-CE2 3.95Å; L355-F357 HydrophobicContact CD1-CZ 4.03Å; L355-F357 HydrophobicContact CG-CE2 4.41Å
356	V	97.6	Very high	94.2	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.8	175.6	-177	0	0	0	0	108	G287 T288 L290 R332 V334	G287-V356 WeakPolarHBondContact CA-O 3.36Å; T288-V356 PolarHBondContact N-O 2.86Å; T288-V356 PolarHBondContact O-N 2.99Å; T288-V356 PolarHBondContact OG1-O 2.98Å; L290-V356 HydrophobicContact CD1-CG2 3.92Å; R332-V356 HydrophobicContact CG-CG1 3.84Å; V334-V356 HydrophobicContact CG1-CG2 4.34Å; V334-V356 HydrophobicContact CG2-CG1 4.41Å; V334-V356 HydrophobicContact CG2-CG2 4.3Å
357	F	98.3	Very high	93.7	Very high	12 Å²	12	27.2 Å²	27.2	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.6	178.1	-63.9	-87.9	0	0	0	110.3	Y285 N286 F295 I315 M318 R332 I333 V335 L355 I359	Y285-F357 HydrophobicContact CD2-CD1 4.07Å; Y285-F357 HydrophobicContact CD2-CE1 4.4Å; Y285-F357 HydrophobicContact CE2-CE1 4.49Å; N286-F357 WeakPolarHBondContact O-CA 3.44Å; F295-F357 HydrophobicContact CE2-CE1 4.1Å; F295-F357 HydrophobicContact CE2-CZ 4.31Å; F295-F357 AromaticContact CZ-CE1 3.74Å; F295-F357 HydrophobicContact CZ-CE1 3.74Å; F295-F357 AromaticContact CZ-CZ 3.76Å; F295-F357 HydrophobicContact CZ-CZ 3.76Å; I315-F357 HydrophobicContact CD1-CE2 3.87Å; I315-F357 HydrophobicContact CD1-CZ 3.95Å; M318-F357 HydrophobicContact CG-CD2 4.15Å; M318-F357 HydrophobicContact CG-CE2 4Å; M318-F357 HydrophobicContact CG-CZ 4.36Å; M318-F357 HydrophobicContact SD-CB 4Å; M318-F357 HydrophobicContact SD-CD1 4.36Å; M318-F357 HydrophobicContact SD-CD2 3.5Å; M318-F357 VanDerWaalsContact SD-CD2 3.5Å; M318-F357 HydrophobicContact SD-CE2 3.98Å; M318-F357 HydrophobicContact SD-CG 3.71Å; R332-F357 CarbonylContact C-O 3.57Å; R332-F357 VanDerWaalsContact CA-O 3.28Å; R332-F357 WeakPolarHBondContact CA-O 3.42Å; I333-F357 PolarHBondContact N-O 2.96Å; I333-F357 PolarHBondContact O-N 3.01Å; V335-F357 HydrophobicContact CG2-CD2 4.19Å; V335-F357 HydrophobicContact CG2-CE2 4.26Å; L355-F357 HydrophobicContact CB-CD2 4.2Å; L355-F357 HydrophobicContact CB-CE2 3.54Å; L355-F357 HydrophobicContact CB-CZ 4.14Å; L355-F357 HydrophobicContact CD1-CE2 3.95Å; L355-F357 HydrophobicContact CD1-CZ 4.03Å; L355-F357 HydrophobicContact CG-CE2 4.41Å; F357-I359 HydrophobicContact CB-CD1 3.76Å; F357-I359 HydrophobicContact CB-CG1 4.37Å
358	D	98.1	Very high	93.4	Very high	41 Å²	41	28 Å²	28	22%	0.219	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.2	166.4	-77.6	-49.3	0	0	0	108.9	K265 Y285 N286 R332	K265-D358 IonicContact NZ-OD1 3.3Å; K265-D358 PolarHBondContact NZ-OD1 3.33Å; Y285-D358 CarbonylContact C-O 3.52Å; Y285-D358 VanDerWaalsContact CA-O 3.25Å; Y285-D358 WeakPolarHBondContact CA-O 3.37Å; N286-D358 PolarHBondContact N-O 2.94Å; N286-D358 PolarHBondContact O-N 2.95Å; R332-D358 WeakPolarHBondContact CB-OD1 3.33Å; R332-D358 IonicContact CZ-OD1 3.71Å; R332-D358 IonicContact CZ-OD2 2.98Å; R332-D358 IonicContact NE-OD1 2.67Å; R332-D358 PolarHBondContact NE-OD1 2.86Å; R332-D358 IonicContact NE-OD2 2.72Å; R332-D358 IonicContact NH2-OD1 2.73Å; R332-D358 PolarHBondContact NH2-OD1 2.87Å; R332-D358 IonicContact NH2-OD2 3.6Å; R332-D358 PolarHBondContact NH2-OD2 2.86Å
359	I	98	Very high	93.2	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.036	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	147.2	-172.9	-53.5	-55.8	0	0	0	111.5	Y283 H284 M318 L322 K330 R331 I333 F357 V361	Y283-I359 HydrophobicContact CD2-CD1 3.99Å; Y283-I359 HydrophobicContact CD2-CG2 4Å; Y283-I359 HydrophobicContact CE2-CD1 3.91Å; Y283-I359 HydrophobicContact CG-CG2 4.48Å; H284-I359 CarbonylContact O-C 3.57Å; H284-I359 WeakPolarHBondContact O-CA 3.39Å; M318-I359 HydrophobicContact CE-CD1 3.59Å; M318-I359 HydrophobicContact CE-CG1 4.29Å; L322-I359 HydrophobicContact CD2-CG1 4.5Å; L322-I359 HydrophobicContact CD2-CG2 4.03Å; K330-I359 VanDerWaalsContact CA-O 3.25Å; K330-I359 WeakPolarHBondContact CA-O 3.27Å; R331-I359 HydrophobicContact CG-CB 4.25Å; R331-I359 PolarHBondContact N-O 3.3Å; R331-I359 WeakPolarHBondContact O-CB 3.22Å; R331-I359 PolarHBondContact O-N 2.98Å; I333-I359 HydrophobicContact CD1-CG1 3.78Å; I333-I359 HydrophobicContact CG1-CG1 4.28Å; F357-I359 HydrophobicContact CB-CD1 3.76Å; F357-I359 HydrophobicContact CB-CG1 4.37Å; I359-V361 HydrophobicContact CG2-CG2 4.03Å
360	H	96.3	Very high	93	Very high	43 Å²	43	28 Å²	28	20%	0.199	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	109.9	164.1	178.1	-143.8	0	0	0	109.1	Y283 H284 E329 K330	Y283-H360 CarbonylContact C-O 3.56Å; Y283-H360 WeakPolarHBondContact CA-O 3.29Å; Y283-H360 WeakPolarHBondContact CB-O 3.29Å; H284-H360 HydrophobicContact CB-CB 4.38Å; H284-H360 PolarHBondContact N-O 2.91Å; H284-H360 PolarHBondContact O-N 2.87Å; E329-H360 WeakPolarHBondContact O-CA 3.49Å; K330-H360 WeakPolarHBondContact CE-CD2 3.42Å; K330-H360 WeakPolarHBondContact CE-NE2 3.34Å; K330-H360 HydrophobicContact CG-CB 4.09Å
361	V	94.2	Very high	93	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.3	-179.3	-179	0	0	0	0	109.2	L281 V325 G328 E329 I359 F364	L281-V361 HydrophobicContact CD2-CG1 4.46Å; V325-V361 HydrophobicContact CB-CG2 3.9Å; V325-V361 HydrophobicContact CG1-CG2 3.9Å; V325-V361 HydrophobicContact CG2-CG1 3.99Å; V325-V361 HydrophobicContact CG2-CG2 3.93Å; G328-V361 WeakPolarHBondContact CA-O 3.45Å; G328-V361 PolarHBondContact N-O 3.04Å; G328-V361 VanDerWaalsContact N-O 3.14Å; E329-V361 HydrophobicContact CB-CG2 4.46Å; E329-V361 PolarHBondContact O-N 3.31Å; I359-V361 HydrophobicContact CG2-CG2 4.03Å; V361-F364 HydrophobicContact CG1-CD1 4.09Å; V361-F364 HydrophobicContact CG1-CE1 4.46Å
362	I	90.2	Very high	92.9	Very high	43 Å²	43	28.1 Å²	28.1	22%	0.221	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-59.7	178	-58.8	-53.3	0	0	0	109.8	R282 T304 I327	R282-I362 WeakPolarHBondContact O-CB 3.33Å; R282-I362 PolarHBondContact O-N 3.06Å; T304-I362 HydrophobicContact CG2-CG1 3.91Å; I327-I362 WeakPolarHBondContact CG2-O 3.37Å
363	D	87.4	Confident	92.9	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	173.7	170.1	62	7.2	0	0	0	111.8	R282 L401	R282-D363 IonicContact CZ-OD1 2.83Å; R282-D363 IonicContact CZ-OD2 3.77Å; R282-D363 PolarHBondContact N-O 2.82Å; R282-D363 IonicContact NE-OD1 3.41Å; R282-D363 PolarHBondContact NE-OD1 3.17Å; R282-D363 IonicContact NE-OD2 3.97Å; R282-D363 VanDerWaalsContact NH2-CG 3.29Å; R282-D363 IonicContact NH2-OD1 3.56Å; R282-D363 PolarHBondContact NH2-OD1 2.89Å; R282-D363 IonicContact NH2-OD2 2.7Å; R282-D363 PolarHBondContact NH2-OD2 3.01Å; R282-D363 PolarHBondContact O-N 2.86Å; D363-L401 HydrophobicContact CB-CD1 4.15Å
364	F	90.4	Very high	92.9	Very high	2 Å²	2	34 Å²	34	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.1	169	55.3	-87.8	0	0	0	111.4	R273 I274 S275 D279 F280 L281 V325 I327 V361	R273-F364 VanDerWaalsContact CD-CE2 3.46Å; R273-F364 HydrophobicContact CG-CE2 3.76Å; R273-F364 HydrophobicContact CG-CZ 4.27Å; I274-F364 VanDerWaalsContact C-CE2 3.49Å; S275-F364 VanDerWaalsContact N-CE2 3.31Å; S275-F364 VanDerWaalsContact N-CZ 3.27Å; D279-F364 HydrophobicContact CB-CD2 4.37Å; D279-F364 WeakPolarHBondContact OD2-CD2 3.28Å; F280-F364 CarbonylContact O-C 3.6Å; F280-F364 WeakPolarHBondContact O-CA 3.37Å; F280-F364 VanDerWaalsContact O-CB 3.28Å; F280-F364 WeakPolarHBondContact O-CB 3.36Å; L281-F364 HydrophobicContact CB-CB 3.87Å; L281-F364 HydrophobicContact CD1-CB 4.34Å; L281-F364 HydrophobicContact CD1-CD1 4.43Å; L281-F364 HydrophobicContact CG-CB 3.92Å; V325-F364 HydrophobicContact CG2-CD1 4.03Å; V325-F364 HydrophobicContact CG2-CE1 3.81Å; V325-F364 WeakPolarHBondContact O-CE1 3.44Å; V325-F364 VanDerWaalsContact O-CZ 3.29Å; V325-F364 WeakPolarHBondContact O-CZ 3.19Å; I327-F364 HydrophobicContact CB-CE1 4.49Å; I327-F364 HydrophobicContact CD1-CE1 4.36Å; I327-F364 HydrophobicContact CG1-CD1 3.85Å; I327-F364 HydrophobicContact CG1-CE1 3.41Å; I327-F364 VanDerWaalsContact CG1-CE1 3.41Å; I327-F364 HydrophobicContact CG1-CZ 3.94Å; V361-F364 HydrophobicContact CG1-CD1 4.09Å; V361-F364 HydrophobicContact CG1-CE1 4.46Å
365	H	88.5	Confident	92.7	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.3	178.8	69.6	-84.4	0	0	0	110.5	D279 F280 D369 P448 V466	D279-H365 CarbonylContact C-O 3.57Å; D279-H365 WeakPolarHBondContact CA-O 3.27Å; F280-H365 AromaticContact CD1-CE1 3.45Å; F280-H365 VanDerWaalsContact CD1-CE1 3.45Å; F280-H365 WeakPolarHBondContact CD1-CE1 3.48Å; F280-H365 AromaticContact CG-CE1 3.83Å; F280-H365 PolarHBondContact N-O 2.72Å; F280-H365 PolarHBondContact O-N 3.49Å; H365-D369 WeakPolarHBondContact CA-OD2 3.11Å; H365-P448 VanDerWaalsContact CD2-CD 3.43Å; H365-P448 WeakPolarHBondContact CD2-CD 3.16Å; H365-P448 VanDerWaalsContact CE1-CG 3.48Å; H365-P448 WeakPolarHBondContact CE1-CG 3.15Å; H365-V466 HydrophobicContact CB-CG2 3.98Å
366	N	89.5	Confident	92.5	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.15	25%	0.249	C	C	.	.			trans	-103.6	144.4	172.4	-150.7	-86.7	0	0	0	110.6	G278 D279 S368 D369 H449	G278-N366 PolarHBondContact O-ND2 3.31Å; D279-N366 WeakPolarHBondContact OD1-CB 3.03Å; D279-N366 PolarHBondContact OD1-ND2 2.69Å; N366-S368 PolarHBondContact O-N 3.01Å; N366-S368 VanDerWaalsContact O-N 3.09Å; N366-S368 WeakPolarHBondContact OD1-CB 3.34Å; N366-S368 PolarHBondContact OD1-N 3.18Å; N366-S368 PolarHBondContact OD1-OG 2.73Å; N366-D369 HydrophobicContact CB-CB 4.48Å; N366-D369 WeakPolarHBondContact CB-OD1 3.43Å; N366-D369 VanDerWaalsContact N-CG 3.3Å; N366-D369 PolarHBondContact N-OD2 2.92Å; N366-D369 WeakPolarHBondContact O-CB 3.31Å; N366-D369 PolarHBondContact O-N 3.28Å; N366-D369 VanDerWaalsContact O-N 3.08Å; N366-H449 PolarHBondContact O-CE1 3.24Å
367	P	85.4	Confident	92.4	Very high	62 Å²	62	47.9 Å²	47.9	40%	0.403	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.3	164.6	-25.4	36	0	0	0	114.3	Y308 H449	Y308-P367 HydrophobicContact CE1-CG 3.63Å; P367-H449 PolarHBondContact O-CE1 3.39Å
368	S	87.6	Confident	92.1	Very high	104 Å²	104	51.9 Å²	51.9	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2	176.8	-38.3	0	0	0	0	114	N366	N366-S368 PolarHBondContact O-N 3.01Å; N366-S368 VanDerWaalsContact O-N 3.09Å; N366-S368 WeakPolarHBondContact OD1-CB 3.34Å; N366-S368 PolarHBondContact OD1-N 3.18Å; N366-S368 PolarHBondContact OD1-OG 2.73Å
369	D	88.6	Confident	91.8	Very high	33 Å²	33	50.9 Å²	50.9	18%	0.176	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.7	133.2	-177.7	-72.3	-18.3	0	0	0	111.6	R273 H365 N366 P447 H449	R273-D369 IonicContact CZ-OD1 3.52Å; R273-D369 IonicContact CZ-OD2 2.76Å; R273-D369 VanDerWaalsContact NH1-CG 3.31Å; R273-D369 IonicContact NH1-OD1 3.98Å; R273-D369 PolarHBondContact NH1-OD1 2.85Å; R273-D369 IonicContact NH1-OD2 3.21Å; R273-D369 PolarHBondContact NH1-OD2 3Å; R273-D369 IonicContact NH2-OD1 2.62Å; R273-D369 PolarHBondContact NH2-OD1 3.36Å; R273-D369 IonicContact NH2-OD2 2.79Å; R273-D369 PolarHBondContact NH2-OD2 3.35Å; H365-D369 WeakPolarHBondContact CA-OD2 3.11Å; N366-D369 HydrophobicContact CB-CB 4.48Å; N366-D369 WeakPolarHBondContact CB-OD1 3.43Å; N366-D369 VanDerWaalsContact N-CG 3.3Å; N366-D369 PolarHBondContact N-OD2 2.92Å; N366-D369 WeakPolarHBondContact O-CB 3.31Å; N366-D369 PolarHBondContact O-N 3.28Å; N366-D369 VanDerWaalsContact O-N 3.08Å; D369-P447 HydrophobicContact CB-CB 4.06Å; D369-P447 HydrophobicContact CB-CG 3.52Å; D369-H449 PolarHBondContact O-CE1 2.97Å; D369-H449 PolarHBondContact O-NE2 3Å
370	S	91.2	Very high	91.4	Very high	90 Å²	90	57 Å²	57	63%	0.629	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-80.2	168	161.4	63.9	0	0	0	0	111.3
371	I	93.4	Very high	90.9	Very high	21 Å²	21	60.7 Å²	60.7	11%	0.108	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59	149.8	164.4	62.6	170.8	0	0	0	111.5	I373 M431 V444 I445 I446 L450	I371-I373 HydrophobicContact CD1-CD1 3.81Å; I371-I373 HydrophobicContact CD1-CG1 3.94Å; I371-I373 HydrophobicContact CG1-CG1 4.32Å; I371-M431 HydrophobicContact CD1-CB 3.58Å; I371-M431 HydrophobicContact CG1-CB 4.44Å; I371-M431 HydrophobicContact CG1-CE 4.45Å; I371-V444 HydrophobicContact CB-CG1 4.28Å; I371-V444 HydrophobicContact CD1-CG1 4.18Å; I371-I445 VanDerWaalsContact CA-O 3.28Å; I371-I445 WeakPolarHBondContact CA-O 3.28Å; I371-I445 WeakPolarHBondContact CB-O 3.47Å; I371-I446 HydrophobicContact CG2-CG1 4.14Å; I371-L450 HydrophobicContact CG2-CD1 3.76Å
372	S	92.1	Very high	90.6	Very high	60 Å²	60	62.3 Å²	62.3	42%	0.42	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.6	164.8	-170.5	0	0	0	0	109.5	V444 I445	S372-V444 CarbonylContact O-C 3.56Å; S372-V444 WeakPolarHBondContact O-CA 3.46Å; S372-I445 PolarHBondContact N-O 3.19Å; S372-I445 PolarHBondContact O-N 2.8Å
373	I	94.9	Very high	90.5	Very high	76 Å²	76	64.8 Å²	64.8	39%	0.39	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121	178.7	-52.9	-179.7	0	0	0	109.2	I371 R442 T443 V444	I371-I373 HydrophobicContact CD1-CD1 3.81Å; I371-I373 HydrophobicContact CD1-CG1 3.94Å; I371-I373 HydrophobicContact CG1-CG1 4.32Å; I373-R442 HydrophobicContact CG2-CG 4.31Å; I373-T443 WeakPolarHBondContact CA-O 3.33Å; I373-V444 HydrophobicContact CG1-CG1 4.48Å; I373-V444 HydrophobicContact CG1-CG2 4.36Å; I373-V444 HydrophobicContact CG2-CG2 4.42Å
374	T	94.6	Very high	90.7	Very high	66 Å²	66	69.1 Å²	69.1	41%	0.405	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	103.5	177.7	-53.6	0	0	0	0	109.3	H376 R442 T443	T374-H376 PolarHBondContact O-N 3.17Å; T374-R442 CarbonylContact O-C 3.59Å; T374-R442 WeakPolarHBondContact O-CA 3.46Å; T374-R442 VanDerWaalsContact O-CB 3.29Å; T374-R442 WeakPolarHBondContact O-CB 3.07Å; T374-T443 PolarHBondContact N-O 3.01Å; T374-T443 PolarHBondContact O-N 3.02Å
375	S	92.7	Very high	90.9	Very high	57 Å²	57	72.8 Å²	72.8	40%	0.399	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.2	178.5	-160.3	0	0	0	0	110.3	E440	S375-E440 PolarHBondContact OG-OE1 2.56Å
376	H	93.6	Very high	91.2	Very high	126 Å²	126	72.5 Å²	72.5	58%	0.583	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	-30.2	-176.2	-64	-59.3	0	0	0	112.8	T374 K441 T443	T374-H376 PolarHBondContact O-N 3.17Å; H376-K441 PolarHBondContact N-O 3.16Å; H376-T443 PolarHBondContact NE2-OG1 3.23Å
377	Y	94.9	Very high	91.4	Very high	122 Å²	122	77.3 Å²	77.3	48%	0.478	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	127.4	176.9	171.1	-102.4	0	0	0	109.9	P379 G439 E440 K441	Y377-P379 HydrophobicContact CE1-CG 3.88Å; Y377-G439 WeakPolarHBondContact CD1-O 3.49Å; Y377-G439 WeakPolarHBondContact CE1-O 3.41Å; Y377-E440 CarbonylContact O-C 3.46Å; Y377-E440 WeakPolarHBondContact O-CA 3.49Å; Y377-E440 WeakPolarHBondContact O-CG 3.22Å; Y377-K441 HydrophobicContact CD1-CG 4.32Å; Y377-K441 PolarHBondContact N-O 3.43Å; Y377-K441 VanDerWaalsContact N-O 3.13Å; Y377-K441 PolarHBondContact O-N 2.95Å
378	K	93.1	Very high	91.6	Very high	95 Å²	95	79.4 Å²	79.4	41%	0.413	44%	0.444	S	S	.	.			trans	-127.7	121.4	177.4	-159.4	153.8	-172.6	133.4	0	109.3	C382 E435 E440	K378-C382 WeakPolarHBondContact CE-SG 3.48Å; K378-C382 HydrophobicContact CG-CB 4.45Å; K378-E435 PolarHBondContact NZ-O 3.12Å; K378-E440 HydrophobicContact CB-CG 4.48Å; K378-E440 HydrophobicContact CD-CG 4.47Å; K378-E440 WeakPolarHBondContact CE-OE2 3.32Å; K378-E440 HydrophobicContact CG-CG 4.22Å; K378-E440 VanDerWaalsContact NZ-CD 3.28Å; K378-E440 IonicContact NZ-OE1 2.69Å; K378-E440 PolarHBondContact NZ-OE1 3.21Å; K378-E440 IonicContact NZ-OE2 2.63Å; K378-E440 PolarHBondContact NZ-OE2 3.4Å
379	P	92.1	Very high	91.6	Very high	20 Å²	20	75.4 Å²	75.4	13%	0.13	42%	0.419	C	S	.	.			trans	-58.9	153.2	-177.8	-30	37	0	0	0	114.3	Y377 D381 V438 G439	Y377-P379 HydrophobicContact CE1-CG 3.88Å; P379-D381 PolarHBondContact O-N 2.82Å; P379-V438 WeakPolarHBondContact CG-O 3.47Å; P379-G439 VanDerWaalsContact CG-C 3.43Å
380	P	88.6	Confident	91.7	Very high	136 Å²	136	74 Å²	74	88%	0.883	41%	0.411	S	S	*	.	S	Bend	trans	-64.5	-35.1	178.5	-23.5	34.6	0	0	0	114.4
381	D	85.4	Confident	91.7	Very high	120 Å²	120	71.1 Å²	71.1	64%	0.642	39%	0.387	S	S	*	.			trans	-96.4	98.6	166.8	-172	-2.6	0	0	0	108.8	P379 S383	P379-D381 PolarHBondContact O-N 2.82Å; D381-S383 WeakPolarHBondContact OD1-CB 3.43Å; D381-S383 PolarHBondContact OD1-N 3Å; D381-S383 PolarHBondContact OD1-OG 2.95Å
382	C	88.1	Confident	91.8	Very high	34 Å²	34	70.1 Å²	70.1	23%	0.23	38%	0.382	C	S	.	.			trans	-126.8	43	178.3	-172.5	0	0	0	0	109.3	K378 C437	K378-C382 WeakPolarHBondContact CE-SG 3.48Å; K378-C382 HydrophobicContact CG-CB 4.45Å; C382-C437 HydrophobicContact CB-CB 3.93Å; C382-C437 WeakPolarHBondContact CB-SG 3.33Å; C382-C437 WeakPolarHBondContact SG-CB 3.43Å; C382-C437 CovalentContact SG-SG 2.03Å; C382-C437 PolarHBondContact SG-SG 3Å
383	S	88.4	Confident	91.9	Very high	96 Å²	96	69.7 Å²	69.7	67%	0.671	37%	0.372	S	S	*	.			trans	-76.5	-24.6	-174.8	52.6	0	0	0	0	114	D381	D381-S383 WeakPolarHBondContact OD1-CB 3.43Å; D381-S383 PolarHBondContact OD1-N 3Å; D381-S383 PolarHBondContact OD1-OG 2.95Å
384	V	91.4	Very high	91.9	Very high	95 Å²	95	66.2 Å²	66.2	58%	0.576	35%	0.354	S	S	*	.			trans	-110.6	127.1	177.3	-171.6	0	0	0	0	109.5	C437 L476	V384-C437 VanDerWaalsContact O-CB 3.31Å; V384-C437 WeakPolarHBondContact O-CB 3.03Å; V384-L476 HydrophobicContact CB-CD2 4.49Å; V384-L476 HydrophobicContact CG1-CD2 3.84Å
385	L	94.5	Very high	92	Very high	78 Å²	78	64.2 Å²	64.2	41%	0.408	34%	0.34	S	S	.	.			trans	-120.3	141	-176.5	-62.9	-179.9	0	0	0	111	M436 C437	L385-M436 WeakPolarHBondContact CA-O 3.33Å; L385-C437 HydrophobicContact CD2-CB 4.17Å
386	S	94.6	Very high	92.2	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.028	33%	0.325	C	S	.	.			trans	-65.4	136	178	55.4	0	0	0	0	113.5	L433 E435 M436	S386-L433 WeakPolarHBondContact CB-O 3.13Å; S386-L433 PolarHBondContact OG-O 2.66Å; S386-E435 PolarHBondContact O-N 2.8Å; S386-E435 PolarHBondContact OG-N 3.19Å; S386-M436 PolarHBondContact N-O 2.99Å; S386-M436 WeakPolarHBondContact OG-CB 3.4Å; S386-M436 PolarHBondContact OG-N 3.03Å; S386-M436 PolarHBondContact OG-O 3.18Å
387	K	93.6	Very high	92.2	Very high	129 Å²	129	59.2 Å²	59.2	56%	0.561	31%	0.312	S	S	*	.			trans	-139.6	169.4	177.6	53.3	167.9	-178.6	-175.8	0	111.4	G389 D390	K387-G389 PolarHBondContact O-N 3.47Å; K387-D390 VanDerWaalsContact CE-OD1 3.28Å; K387-D390 WeakPolarHBondContact CE-OD1 3.5Å; K387-D390 WeakPolarHBondContact CG-OD2 3.31Å; K387-D390 PolarHBondContact N-OD2 2.79Å; K387-D390 WeakPolarHBondContact O-CB 3.45Å; K387-D390 PolarHBondContact O-N 3.13Å; K387-D390 VanDerWaalsContact O-N 3.09Å
388	K	90.8	Very high	92.2	Very high	105 Å²	105	53.7 Å²	53.7	46%	0.457	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.1	175.3	-168.2	-165.1	173.5	-169.8	0	110.5	E482	K388-E482 IonicContact NZ-OE1 2.62Å; K388-E482 PolarHBondContact NZ-OE1 2.89Å; K388-E482 IonicContact NZ-OE2 3.96Å; K388-E482 PolarHBondContact NZ-OE2 2.93Å
389	G	86.1	Confident	92.3	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-18.2	-177.5	0	0	0	0	0	114.7	K387 L420 G479	K387-G389 PolarHBondContact O-N 3.47Å; G389-L420 PolarHBondContact N-O 3.4Å; G389-G479 WeakPolarHBondContact O-CA 3.32Å
390	D	91.8	Very high	92.1	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.277	C	S	.	.			trans	-73.7	145.7	179.6	-62.7	-20.1	0	0	0	112.1	K387 L420 L476 A478 G479	K387-D390 VanDerWaalsContact CE-OD1 3.28Å; K387-D390 WeakPolarHBondContact CE-OD1 3.5Å; K387-D390 WeakPolarHBondContact CG-OD2 3.31Å; K387-D390 PolarHBondContact N-OD2 2.79Å; K387-D390 WeakPolarHBondContact O-CB 3.45Å; K387-D390 PolarHBondContact O-N 3.13Å; K387-D390 VanDerWaalsContact O-N 3.09Å; D390-L420 PolarHBondContact O-N 3.37Å; D390-L476 HydrophobicContact CB-CD1 3.73Å; D390-A478 WeakPolarHBondContact OD1-CA 3.44Å; D390-G479 PolarHBondContact OD1-N 3.47Å
391	Y	91.4	Very high	91.8	Very high	29 Å²	29	46.3 Å²	46.3	11%	0.114	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.3	173.3	172.2	-102.7	0	0	0	110.9	K393 N417 I418 V419 V477 P530	Y391-K393 HydrophobicContact CE1-CD 4.48Å; Y391-K393 HydrophobicContact CE1-CG 3.83Å; Y391-K393 WeakPolarHBondContact OH-CE 3.46Å; Y391-N417 HydrophobicContact CE2-CB 4.11Å; Y391-I418 CarbonylContact C-O 3.57Å; Y391-I418 VanDerWaalsContact CA-O 3.3Å; Y391-I418 WeakPolarHBondContact CA-O 3.21Å; Y391-I418 WeakPolarHBondContact CD2-O 3.3Å; Y391-V419 HydrophobicContact CD2-CG2 4.18Å; Y391-V477 HydrophobicContact CD1-CB 4.14Å; Y391-V477 HydrophobicContact CD1-CG2 4.1Å; Y391-V477 PolarHBondContact N-O 2.93Å; Y391-V477 PolarHBondContact O-N 2.62Å; Y391-P530 HydrophobicContact CD1-CB 4.26Å; Y391-P530 HydrophobicContact CG-CB 4.01Å
392	L	94.3	Very high	91.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.5	-176.4	-51.7	-177.8	0	0	0	110.3	Y394 N417 I418 L420 L433 L473 E475 L476	L392-Y394 HydrophobicContact CB-CD1 4.33Å; L392-N417 VanDerWaalsContact O-CA 3.31Å; L392-N417 WeakPolarHBondContact O-CA 3.28Å; L392-I418 HydrophobicContact CB-CG1 4.22Å; L392-I418 HydrophobicContact CD1-CD1 4.47Å; L392-I418 HydrophobicContact CD1-CG1 4.43Å; L392-I418 PolarHBondContact N-O 3.35Å; L392-I418 PolarHBondContact O-N 2.77Å; L392-L420 HydrophobicContact CD1-CB 4.35Å; L392-L420 HydrophobicContact CD1-CD1 4.07Å; L392-L420 HydrophobicContact CD1-CD2 4.26Å; L392-L420 HydrophobicContact CD1-CG 4.48Å; L392-L433 HydrophobicContact CD1-CB 3.89Å; L392-L433 HydrophobicContact CD1-CD1 4.23Å; L392-L433 HydrophobicContact CD1-CD2 4.39Å; L392-L433 HydrophobicContact CD1-CG 4.41Å; L392-L473 HydrophobicContact CB-CD1 4Å; L392-L473 HydrophobicContact CD2-CD1 4.11Å; L392-L473 HydrophobicContact CG-CD1 4.46Å; L392-E475 WeakPolarHBondContact CA-O 3.48Å; L392-L476 HydrophobicContact CD2-CD1 3.44Å; L392-L476 VanDerWaalsContact CD2-CD1 3.44Å
393	K	94.4	Very high	91.3	Very high	51 Å²	51	46.7 Å²	46.7	22%	0.222	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.4	157.5	-53.5	-162.3	-179.5	86.2	0	109.4	Y391 Y416 N417 L473 L474 E475	Y391-K393 HydrophobicContact CE1-CD 4.48Å; Y391-K393 HydrophobicContact CE1-CG 3.83Å; Y391-K393 WeakPolarHBondContact OH-CE 3.46Å; K393-Y416 WeakPolarHBondContact CA-O 3.4Å; K393-N417 WeakPolarHBondContact CB-OD1 3.44Å; K393-N417 WeakPolarHBondContact CG-OD1 3.37Å; K393-L473 WeakPolarHBondContact O-CD1 3.39Å; K393-L474 WeakPolarHBondContact O-CA 3.24Å; K393-L474 WeakPolarHBondContact O-CB 3.19Å; K393-L474 PolarHBondContact O-N 3.22Å; K393-E475 HydrophobicContact CB-CB 3.84Å; K393-E475 HydrophobicContact CD-CB 4.47Å; K393-E475 HydrophobicContact CG-CB 4.01Å; K393-E475 PolarHBondContact N-O 2.73Å; K393-E475 IonicContact NZ-OE1 3.77Å; K393-E475 PolarHBondContact NZ-OE1 2.67Å; K393-E475 IonicContact NZ-OE2 3.39Å; K393-E475 PolarHBondContact NZ-OE2 2.78Å; K393-E475 PolarHBondContact O-N 3.45Å; K393-E475 VanDerWaalsContact O-N 3.1Å
394	Y	95.6	Very high	91.3	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.1	-177.9	64.4	-84.1	0	0	0	112.8	L392 Y396 Y416 I418 M429 L433 I471 E472	L392-Y394 HydrophobicContact CB-CD1 4.33Å; Y394-Y396 HydrophobicContact CD2-CD1 4.13Å; Y394-Y396 AromaticContact CE2-CD1 3.55Å; Y394-Y396 HydrophobicContact CE2-CD1 3.55Å; Y394-Y396 HydrophobicContact CE2-CE1 4.37Å; Y394-Y396 HydrophobicContact CE2-CG 4.35Å; Y394-Y416 WeakPolarHBondContact CD1-O 3.25Å; Y394-Y416 AromaticContact CE1-CD1 3.97Å; Y394-Y416 HydrophobicContact CE1-CD1 3.97Å; Y394-Y416 AromaticContact CZ-CD1 3.69Å; Y394-Y416 PolarHBondContact N-O 3.35Å; Y394-Y416 PolarHBondContact O-N 3.03Å; Y394-Y416 VanDerWaalsContact OH-CD1 3.24Å; Y394-Y416 WeakPolarHBondContact OH-CD1 3.35Å; Y394-I418 HydrophobicContact CE1-CD1 4.17Å; Y394-I418 HydrophobicContact CE1-CG1 4.14Å; Y394-I418 HydrophobicContact CE1-CG2 4.43Å; Y394-M429 HydrophobicContact CD2-CE 4.26Å; Y394-M429 HydrophobicContact CE2-CE 3.34Å; Y394-L433 HydrophobicContact CD1-CD1 4.37Å; Y394-L433 HydrophobicContact CD1-CD2 4.34Å; Y394-L433 HydrophobicContact CD2-CD2 4.44Å; Y394-L433 HydrophobicContact CE1-CD1 3.7Å; Y394-L433 HydrophobicContact CE1-CD2 4.41Å; Y394-L433 HydrophobicContact CE2-CD1 4.44Å; Y394-L433 HydrophobicContact CE2-CD2 4.5Å; Y394-L433 HydrophobicContact CG-CD2 4.36Å; Y394-I471 HydrophobicContact CD2-CG2 3.91Å; Y394-I471 HydrophobicContact CG-CG2 4.42Å; Y394-E472 CarbonylContact C-O 3.57Å; Y394-E472 VanDerWaalsContact CA-O 3.3Å; Y394-E472 WeakPolarHBondContact CA-O 3.5Å; Y394-E472 VanDerWaalsContact CB-O 3.31Å; Y394-E472 WeakPolarHBondContact CB-O 3.46Å
395	H	96.9	Very high	91.3	Very high	24 Å²	24	45.7 Å²	45.7	11%	0.111	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	145.7	162.3	-83.9	-56.5	0	0	0	109.9	T409 W410 I471 E472 L474	H395-T409 WeakPolarHBondContact CA-OG1 3.39Å; H395-T409 WeakPolarHBondContact ND1-CB 3.27Å; H395-T409 PolarHBondContact ND1-OG1 2.67Å; H395-W410 HydrophobicContact CB-CZ2 3.81Å; H395-W410 AromaticContact CD2-CE2 3.83Å; H395-W410 AromaticContact CD2-CH2 3.36Å; H395-W410 WeakPolarHBondContact CD2-CH2 3.37Å; H395-W410 AromaticContact CD2-CZ2 3.37Å; H395-W410 WeakPolarHBondContact CD2-CZ2 3.33Å; H395-W410 AromaticContact CD2-CZ3 3.82Å; H395-W410 AromaticContact CG-CE2 3.61Å; H395-W410 AromaticContact CG-CZ2 3.57Å; H395-W410 AromaticContact CG-NE1 3.98Å; H395-W410 AromaticContact ND1-CE2 3.95Å; H395-W410 AromaticContact NE2-CE3 4Å; H395-W410 AromaticContact NE2-CH2 3.72Å; H395-W410 AromaticContact NE2-CZ3 3.67Å; H395-I471 WeakPolarHBondContact O-CA 3.22Å; H395-E472 HydrophobicContact CB-CB 4.5Å; H395-E472 PolarHBondContact N-O 2.81Å; H395-E472 PolarHBondContact O-N 2.84Å; H395-L474 VanDerWaalsContact CD2-CD1 3.5Å; H395-L474 WeakPolarHBondContact CD2-CD1 3.31Å
396	Y	95.5	Very high	91.2	Very high	21 Å²	21	44.5 Å²	44.5	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.2	165.5	69.1	-96.6	0	0	0	112.4	Y394 A398 D407 T409 Y416 F469 D470	Y394-Y396 HydrophobicContact CD2-CD1 4.13Å; Y394-Y396 AromaticContact CE2-CD1 3.55Å; Y394-Y396 HydrophobicContact CE2-CD1 3.55Å; Y394-Y396 HydrophobicContact CE2-CE1 4.37Å; Y394-Y396 HydrophobicContact CE2-CG 4.35Å; Y396-A398 HydrophobicContact CD2-CB 4.02Å; Y396-A398 HydrophobicContact CE2-CB 4.13Å; Y396-D407 HydrophobicContact CE2-CB 4.31Å; Y396-D407 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D407 PolarHBondContact OH-OD2 2.86Å; Y396-T409 HydrophobicContact CD1-CG2 3.35Å; Y396-T409 HydrophobicContact CD2-CG2 4.45Å; Y396-T409 HydrophobicContact CE1-CG2 3.35Å; Y396-T409 HydrophobicContact CE2-CG2 4.4Å; Y396-T409 HydrophobicContact CG-CG2 3.94Å; Y396-T409 PolarHBondContact N-OG1 2.91Å; Y396-T409 PolarHBondContact O-N 2.7Å; Y396-T409 PolarHBondContact O-OG1 3.04Å; Y396-Y416 HydrophobicContact CD1-CG 4.49Å; Y396-Y416 AromaticContact CE1-CD2 3.72Å; Y396-Y416 HydrophobicContact CE1-CD2 3.72Å; Y396-Y416 HydrophobicContact CE1-CE2 4.46Å; Y396-Y416 AromaticContact CE1-CG 3.8Å; Y396-Y416 HydrophobicContact CE1-CG 3.8Å; Y396-F469 HydrophobicContact CD2-CD1 4.05Å; Y396-F469 HydrophobicContact CD2-CE1 4.09Å; Y396-F469 HydrophobicContact CE2-CE1 4.38Å; Y396-F469 HydrophobicContact CG-CD1 4.22Å; Y396-F469 HydrophobicContact CG-CE1 4.49Å; Y396-D470 CarbonylContact C-O 3.55Å; Y396-D470 WeakPolarHBondContact CA-O 3.23Å
397	N	95.4	Very high	91	Very high	58 Å²	58	46.8 Å²	46.8	31%	0.31	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.7	149.8	-66.3	-27.6	0	0	0	108	L405 S408 F469 D470	N397-L405 HydrophobicContact CB-CD1 4.49Å; N397-S408 WeakPolarHBondContact OD1-CB 3.41Å; N397-S408 PolarHBondContact OD1-OG 2.9Å; N397-F469 WeakPolarHBondContact O-CA 3.46Å; N397-D470 HydrophobicContact CB-CB 4.45Å; N397-D470 PolarHBondContact N-O 2.77Å; N397-D470 PolarHBondContact O-N 2.71Å
398	A	94.6	Very high	91	Very high	6 Å²	6	40.8 Å²	40.8	5%	0.05	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	176.6	0	0	0	0	0	109.9	Y396 L405 L406 D407 V468 F469	Y396-A398 HydrophobicContact CD2-CB 4.02Å; Y396-A398 HydrophobicContact CE2-CB 4.13Å; A398-L405 WeakPolarHBondContact O-CD1 3.43Å; A398-L406 HydrophobicContact CB-CB 4.37Å; A398-L406 WeakPolarHBondContact O-CB 3.48Å; A398-L406 PolarHBondContact O-N 2.66Å; A398-D407 PolarHBondContact N-O 2.9Å; A398-D407 PolarHBondContact O-N 2.93Å; A398-V468 CarbonylContact C-O 3.51Å; A398-V468 WeakPolarHBondContact CA-O 3.39Å; A398-F469 HydrophobicContact CB-CD1 3.87Å; A398-F469 HydrophobicContact CB-CE1 3.56Å; A398-F469 HydrophobicContact CB-CZ 4.02Å
399	S	94.2	Very high	91.1	Very high	20 Å²	20	35.9 Å²	35.9	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	170.3	179.7	54.8	0	0	0	0	112.5	T404 V468	S399-T404 CarbonylContact C-O 3.58Å; S399-T404 WeakPolarHBondContact CA-O 3.31Å; S399-T404 WeakPolarHBondContact CB-O 3.24Å; S399-V468 PolarHBondContact N-O 2.86Å; S399-V468 PolarHBondContact O-N 3.32Å
400	L	88.6	Confident	91.1	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	164.8	165.1	-60	-179.1	0	0	0	110.9	D402 G403 T404 L406 P462 A465	L400-D402 WeakPolarHBondContact CB-OD1 3.48Å; L400-D402 PolarHBondContact O-N 2.88Å; L400-D402 VanDerWaalsContact O-N 3.16Å; L400-G403 PolarHBondContact O-N 2.91Å; L400-T404 HydrophobicContact CD1-CG2 4.39Å; L400-T404 PolarHBondContact N-O 2.58Å; L400-L406 HydrophobicContact CD1-CD2 4.49Å; L400-L406 HydrophobicContact CD2-CD1 3.98Å; L400-L406 HydrophobicContact CD2-CD2 4.19Å; L400-L406 HydrophobicContact CD2-CG 4.45Å; L400-L406 HydrophobicContact CG-CD1 4.34Å; L400-L406 HydrophobicContact CG-CD2 4.02Å; L400-L406 HydrophobicContact CG-CG 4.32Å; L400-P462 HydrophobicContact CD1-CG 4.28Å; L400-A465 HydrophobicContact CD2-CB 3.67Å
401	L	83.1	Confident	90.8	Very high	57 Å²	57	47.2 Å²	47.2	30%	0.298	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.6	175.6	-75.3	173.9	0	0	0	114.4	I327 D363 G403 I445 V466 V468	I327-L401 HydrophobicContact CD1-CD1 3.95Å; D363-L401 HydrophobicContact CB-CD1 4.15Å; L401-G403 VanDerWaalsContact C-N 3.28Å; L401-I445 HydrophobicContact CD2-CG2 4.28Å; L401-V466 HydrophobicContact CD1-CB 3.61Å; L401-V466 HydrophobicContact CD1-CG1 3.76Å; L401-V466 HydrophobicContact CD1-CG2 4.03Å; L401-V466 HydrophobicContact CG-CB 4.06Å; L401-V466 HydrophobicContact CG-CG1 4.09Å; L401-V468 HydrophobicContact CD2-CG2 3.65Å; L401-V468 HydrophobicContact CG-CG2 4.11Å
402	D	77.4	Confident	90.2	Very high	105 Å²	105	49.8 Å²	49.8	56%	0.561	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.4	174	70.5	2.6	0	0	0	113.8	L400 T404	L400-D402 WeakPolarHBondContact CB-OD1 3.48Å; L400-D402 PolarHBondContact O-N 2.88Å; L400-D402 VanDerWaalsContact O-N 3.16Å; D402-T404 VanDerWaalsContact CG-OG1 3.32Å; D402-T404 WeakPolarHBondContact OD1-CB 3.47Å; D402-T404 PolarHBondContact OD1-N 2.86Å; D402-T404 PolarHBondContact OD1-OG1 2.95Å; D402-T404 PolarHBondContact OD2-OG1 2.81Å
403	G	84.7	Confident	89.7	Confident	57 Å²	57	53.2 Å²	53.2	59%	0.588	30%	0.304	S	S	*	.			trans	89.5	0.2	-177.5	0	0	0	0	0	115	L400 L401 L405	L400-G403 PolarHBondContact O-N 2.91Å; L401-G403 VanDerWaalsContact C-N 3.28Å; G403-L405 PolarHBondContact O-N 2.99Å; G403-L405 VanDerWaalsContact O-N 3.15Å
404	T	87.8	Confident	89.4	Confident	71 Å²	71	56.4 Å²	56.4	44%	0.436	32%	0.317	S	S	.	.			trans	-61.8	115.3	174.7	-59.5	0	0	0	0	110.2	S399 L400 D402	S399-T404 CarbonylContact C-O 3.58Å; S399-T404 WeakPolarHBondContact CA-O 3.31Å; S399-T404 WeakPolarHBondContact CB-O 3.24Å; L400-T404 HydrophobicContact CD1-CG2 4.39Å; L400-T404 PolarHBondContact N-O 2.58Å; D402-T404 VanDerWaalsContact CG-OG1 3.32Å; D402-T404 WeakPolarHBondContact OD1-CB 3.47Å; D402-T404 PolarHBondContact OD1-N 2.86Å; D402-T404 PolarHBondContact OD1-OG1 2.95Å; D402-T404 PolarHBondContact OD2-OG1 2.81Å
405	L	91.9	Very high	89.1	Confident	98 Å²	98	58.3 Å²	58.3	51%	0.513	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129	176.9	-174	74.3	0	0	0	110.3	N397 A398 G403	N397-L405 HydrophobicContact CB-CD1 4.49Å; A398-L405 WeakPolarHBondContact O-CD1 3.43Å; G403-L405 PolarHBondContact O-N 2.99Å; G403-L405 VanDerWaalsContact O-N 3.15Å
406	L	91.8	Very high	88.9	Confident	53 Å²	53	61 Å²	61	28%	0.277	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-56.5	176.5	-59.4	170.6	0	0	0	110.6	A398 L400 E460 L467	A398-L406 HydrophobicContact CB-CB 4.37Å; A398-L406 WeakPolarHBondContact O-CB 3.48Å; A398-L406 PolarHBondContact O-N 2.66Å; L400-L406 HydrophobicContact CD1-CD2 4.49Å; L400-L406 HydrophobicContact CD2-CD1 3.98Å; L400-L406 HydrophobicContact CD2-CD2 4.19Å; L400-L406 HydrophobicContact CD2-CG 4.45Å; L400-L406 HydrophobicContact CG-CD1 4.34Å; L400-L406 HydrophobicContact CG-CD2 4.02Å; L400-L406 HydrophobicContact CG-CG 4.32Å; L406-E460 WeakPolarHBondContact CD2-O 3.36Å; L406-L467 HydrophobicContact CD1-CD2 3.95Å
407	D	91.1	Very high	88.7	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.3	-177.5	-178.7	36.4	0	0	0	111.7	Y396 A398	Y396-D407 HydrophobicContact CE2-CB 4.31Å; Y396-D407 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D407 PolarHBondContact OH-OD2 2.86Å; A398-D407 PolarHBondContact N-O 2.9Å; A398-D407 PolarHBondContact O-N 2.93Å
408	S	93.4	Very high	88.5	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	129.1	172.6	177.7	0	0	0	0	112.4	N397 W410 N411 L412	N397-S408 WeakPolarHBondContact OD1-CB 3.41Å; N397-S408 PolarHBondContact OD1-OG 2.9Å; S408-W410 PolarHBondContact O-N 2.82Å; S408-W410 VanDerWaalsContact O-N 3.15Å; S408-W410 WeakPolarHBondContact OG-CB 3.43Å; S408-W410 PolarHBondContact OG-N 3.3Å; S408-W410 VanDerWaalsContact OG-N 3.15Å; S408-N411 WeakPolarHBondContact O-CB 3.34Å; S408-N411 PolarHBondContact O-N 3.24Å; S408-L412 WeakPolarHBondContact O-CG 3.45Å; S408-L412 PolarHBondContact O-N 2.77Å; S408-L412 VanDerWaalsContact O-N 3.15Å
409	T	92.5	Very high	88.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-31.7	168.5	52.3	0	0	0	0	113.8	H395 Y396 L412 G413 K414	H395-T409 WeakPolarHBondContact CA-OG1 3.39Å; H395-T409 WeakPolarHBondContact ND1-CB 3.27Å; H395-T409 PolarHBondContact ND1-OG1 2.67Å; Y396-T409 HydrophobicContact CD1-CG2 3.35Å; Y396-T409 HydrophobicContact CD2-CG2 4.45Å; Y396-T409 HydrophobicContact CE1-CG2 3.35Å; Y396-T409 HydrophobicContact CE2-CG2 4.4Å; Y396-T409 HydrophobicContact CG-CG2 3.94Å; Y396-T409 PolarHBondContact N-OG1 2.91Å; Y396-T409 PolarHBondContact O-N 2.7Å; Y396-T409 PolarHBondContact O-OG1 3.04Å; T409-L412 CarbonylContact O-C 3.58Å; T409-L412 PolarHBondContact O-N 2.76Å; T409-G413 PolarHBondContact O-N 3.36Å; T409-G413 VanDerWaalsContact O-N 3.12Å; T409-K414 WeakPolarHBondContact CB-O 3.41Å; T409-K414 PolarHBondContact O-N 2.86Å; T409-K414 VanDerWaalsContact O-O 3.07Å
410	W	87.3	Confident	88.1	Confident	141 Å²	141	60 Å²	60	53%	0.534	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-40.6	177.1	-58.7	100.3	0	0	0	111.7	H395 S408 L412 G413	H395-W410 HydrophobicContact CB-CZ2 3.81Å; H395-W410 AromaticContact CD2-CE2 3.83Å; H395-W410 AromaticContact CD2-CH2 3.36Å; H395-W410 WeakPolarHBondContact CD2-CH2 3.37Å; H395-W410 AromaticContact CD2-CZ2 3.37Å; H395-W410 WeakPolarHBondContact CD2-CZ2 3.33Å; H395-W410 AromaticContact CD2-CZ3 3.82Å; H395-W410 AromaticContact CG-CE2 3.61Å; H395-W410 AromaticContact CG-CZ2 3.57Å; H395-W410 AromaticContact CG-NE1 3.98Å; H395-W410 AromaticContact ND1-CE2 3.95Å; H395-W410 AromaticContact NE2-CE3 4Å; H395-W410 AromaticContact NE2-CH2 3.72Å; H395-W410 AromaticContact NE2-CZ3 3.67Å; S408-W410 PolarHBondContact O-N 2.82Å; S408-W410 VanDerWaalsContact O-N 3.15Å; S408-W410 WeakPolarHBondContact OG-CB 3.43Å; S408-W410 PolarHBondContact OG-N 3.3Å; S408-W410 VanDerWaalsContact OG-N 3.15Å; W410-L412 VanDerWaalsContact C-N 3.26Å; W410-L412 PolarHBondContact O-N 2.93Å; W410-G413 PolarHBondContact O-N 3.17Å
411	N	85.8	Confident	88.1	Confident	122 Å²	122	60.6 Å²	60.6	65%	0.652	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.8	174.1	-67.1	-14.6	0	0	0	111.7	S408 G413	S408-N411 WeakPolarHBondContact O-CB 3.34Å; S408-N411 PolarHBondContact O-N 3.24Å; N411-G413 VanDerWaalsContact C-N 3.32Å
412	L	78.9	Confident	88.2	Confident	82 Å²	82	60.5 Å²	60.5	43%	0.429	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.1	177.9	-60.6	175.3	0	0	0	113.8	S408 T409 W410 K414	S408-L412 WeakPolarHBondContact O-CG 3.45Å; S408-L412 PolarHBondContact O-N 2.77Å; S408-L412 VanDerWaalsContact O-N 3.15Å; T409-L412 CarbonylContact O-C 3.58Å; T409-L412 PolarHBondContact O-N 2.76Å; W410-L412 VanDerWaalsContact C-N 3.26Å; W410-L412 PolarHBondContact O-N 2.93Å; L412-K414 HydrophobicContact CB-CD 4.15Å; L412-K414 HydrophobicContact CB-CG 3.93Å; L412-K414 PolarHBondContact O-N 2.88Å
413	G	82	Confident	88.6	Confident	73 Å²	73	58.6 Å²	58.6	75%	0.753	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	21.5	178.2	0	0	0	0	0	115.2	T409 W410 N411	T409-G413 PolarHBondContact O-N 3.36Å; T409-G413 VanDerWaalsContact O-N 3.12Å; W410-G413 PolarHBondContact O-N 3.17Å; N411-G413 VanDerWaalsContact C-N 3.32Å
414	K	89.1	Confident	88.7	Confident	117 Å²	117	59.8 Å²	59.8	51%	0.509	34%	0.344	S	S	.	.	S	Bend	trans	-144.3	153.8	-171.2	72.2	-171.2	-173.8	-173	0	111.3	T409 L412	T409-K414 WeakPolarHBondContact CB-O 3.41Å; T409-K414 PolarHBondContact O-N 2.86Å; T409-K414 VanDerWaalsContact O-O 3.07Å; L412-K414 HydrophobicContact CB-CD 4.15Å; L412-K414 HydrophobicContact CB-CG 3.93Å; L412-K414 PolarHBondContact O-N 2.88Å
415	T	89.8	Confident	88.9	Confident	44 Å²	44	57.7 Å²	57.7	27%	0.27	33%	0.331	S	S	.	.			trans	-77.5	154.7	167.9	58.4	0	0	0	0	110.7	N417 L474	T415-N417 WeakPolarHBondContact CB-OD1 3.39Å; T415-N417 PolarHBondContact OG1-OD1 3.44Å; T415-L474 HydrophobicContact CG2-CD1 3.39Å
416	Y	91.8	Very high	89	Confident	79 Å²	79	54.3 Å²	54.3	31%	0.31	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.8	164.9	-152.1	-90.8	0	0	0	109.1	K393 Y394 Y396 I418 V425	K393-Y416 WeakPolarHBondContact CA-O 3.4Å; Y394-Y416 WeakPolarHBondContact CD1-O 3.25Å; Y394-Y416 AromaticContact CE1-CD1 3.97Å; Y394-Y416 HydrophobicContact CE1-CD1 3.97Å; Y394-Y416 AromaticContact CZ-CD1 3.69Å; Y394-Y416 PolarHBondContact N-O 3.35Å; Y394-Y416 PolarHBondContact O-N 3.03Å; Y394-Y416 VanDerWaalsContact OH-CD1 3.24Å; Y394-Y416 WeakPolarHBondContact OH-CD1 3.35Å; Y396-Y416 HydrophobicContact CD1-CG 4.49Å; Y396-Y416 AromaticContact CE1-CD2 3.72Å; Y396-Y416 HydrophobicContact CE1-CD2 3.72Å; Y396-Y416 HydrophobicContact CE1-CE2 4.46Å; Y396-Y416 AromaticContact CE1-CG 3.8Å; Y396-Y416 HydrophobicContact CE1-CG 3.8Å; Y416-I418 HydrophobicContact CD1-CG2 3.62Å; Y416-I418 HydrophobicContact CE1-CG2 3.46Å; Y416-I418 VanDerWaalsContact CE1-CG2 3.46Å; Y416-V425 HydrophobicContact CE1-CG1 3.8Å
417	N	91.5	Very high	89.1	Confident	67 Å²	67	56.6 Å²	56.6	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.7	-166.3	-57.4	-25.1	0	0	0	109.2	Y391 L392 K393 T415	Y391-N417 HydrophobicContact CE2-CB 4.11Å; L392-N417 VanDerWaalsContact O-CA 3.31Å; L392-N417 WeakPolarHBondContact O-CA 3.28Å; K393-N417 WeakPolarHBondContact CB-OD1 3.44Å; K393-N417 WeakPolarHBondContact CG-OD1 3.37Å; T415-N417 WeakPolarHBondContact CB-OD1 3.39Å; T415-N417 PolarHBondContact OG1-OD1 3.44Å
418	I	91.4	Very high	89.2	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.8	-176.1	70.4	172.6	0	0	0	113.1	Y391 L392 Y394 Y416 L420 Q424 V425 L433	Y391-I418 CarbonylContact C-O 3.57Å; Y391-I418 VanDerWaalsContact CA-O 3.3Å; Y391-I418 WeakPolarHBondContact CA-O 3.21Å; Y391-I418 WeakPolarHBondContact CD2-O 3.3Å; L392-I418 HydrophobicContact CB-CG1 4.22Å; L392-I418 HydrophobicContact CD1-CD1 4.47Å; L392-I418 HydrophobicContact CD1-CG1 4.43Å; L392-I418 PolarHBondContact N-O 3.35Å; L392-I418 PolarHBondContact O-N 2.77Å; Y394-I418 HydrophobicContact CE1-CD1 4.17Å; Y394-I418 HydrophobicContact CE1-CG1 4.14Å; Y394-I418 HydrophobicContact CE1-CG2 4.43Å; Y416-I418 HydrophobicContact CD1-CG2 3.62Å; Y416-I418 HydrophobicContact CE1-CG2 3.46Å; Y416-I418 VanDerWaalsContact CE1-CG2 3.46Å; I418-L420 HydrophobicContact CD1-CD1 4.17Å; I418-Q424 VanDerWaalsContact CA-OE1 3.25Å; I418-Q424 HydrophobicContact CB-CB 4.29Å; I418-Q424 HydrophobicContact CG2-CB 4.09Å; I418-V425 HydrophobicContact CD1-CG1 4.24Å; I418-V425 HydrophobicContact CD1-CG2 3.98Å; I418-V425 HydrophobicContact CG2-CG1 4.05Å; I418-L433 HydrophobicContact CD1-CD1 3.56Å
419	V	89.6	Confident	89.4	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.085	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.7	159	-179	0	0	0	0	108.7	Y391 G421 S422 P530 F532	Y391-V419 HydrophobicContact CD2-CG2 4.18Å; V419-G421 PolarHBondContact O-N 2.87Å; V419-S422 VanDerWaalsContact O-CB 3.24Å; V419-S422 WeakPolarHBondContact O-CB 3.24Å; V419-S422 PolarHBondContact O-N 3.2Å; V419-S422 PolarHBondContact O-OG 2.78Å; V419-P530 WeakPolarHBondContact CG2-O 3.43Å; V419-F532 HydrophobicContact CB-CE2 4.47Å; V419-F532 HydrophobicContact CG2-CD2 4.28Å; V419-F532 HydrophobicContact CG2-CE2 3.78Å; V419-F532 HydrophobicContact CG2-CZ 4.34Å
420	L	91	Very high	89.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	130.4	-174.6	-164	63.5	0	0	0	110.9	G389 D390 L392 I418 L433 R434	G389-L420 PolarHBondContact N-O 3.4Å; D390-L420 PolarHBondContact O-N 3.37Å; L392-L420 HydrophobicContact CD1-CB 4.35Å; L392-L420 HydrophobicContact CD1-CD1 4.07Å; L392-L420 HydrophobicContact CD1-CD2 4.26Å; L392-L420 HydrophobicContact CD1-CG 4.48Å; I418-L420 HydrophobicContact CD1-CD1 4.17Å; L420-L433 HydrophobicContact CD1-CB 3.7Å; L420-L433 HydrophobicContact CD1-CD1 4.47Å; L420-R434 HydrophobicContact CD2-CG 3.78Å
421	G	87.6	Confident	89.9	Confident	32 Å²	32	50.9 Å²	50.9	33%	0.33	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	6.5	-175.1	0	0	0	0	0	115.5	V419 D430	V419-G421 PolarHBondContact O-N 2.87Å; G421-D430 WeakPolarHBondContact CA-OD1 3.21Å; G421-D430 PolarHBondContact N-OD1 2.8Å
422	S	85.4	Confident	90.4	Very high	55 Å²	55	45.1 Å²	45.1	39%	0.385	27%	0.273	S	S	.	.	S	Bend	trans	-87.5	-6.7	179.8	66.8	0	0	0	0	115	V419 Q424	V419-S422 VanDerWaalsContact O-CB 3.24Å; V419-S422 WeakPolarHBondContact O-CB 3.24Å; V419-S422 PolarHBondContact O-N 3.2Å; V419-S422 PolarHBondContact O-OG 2.78Å; S422-Q424 VanDerWaalsContact OG-CG 3.26Å; S422-Q424 WeakPolarHBondContact OG-CG 3.34Å; S422-Q424 PolarHBondContact OG-OE1 3.31Å
423	G	85.3	Confident	91.2	Very high	64 Å²	64	41.2 Å²	41.2	66%	0.66	25%	0.253	S	S	*	.	S	Bend	trans	81.4	10.8	-174.3	0	0	0	0	0	115	V425	G423-V425 PolarHBondContact O-N 2.84Å
424	Q	87	Confident	91.8	Very high	82 Å²	82	42.5 Å²	42.5	38%	0.383	24%	0.235	S	C	.	.	S	Bend	trans	-71.3	-8.8	176.9	-75.8	173.2	-27.4	0	0	114.8	I418 S422	I418-Q424 VanDerWaalsContact CA-OE1 3.25Å; I418-Q424 HydrophobicContact CB-CB 4.29Å; I418-Q424 HydrophobicContact CG2-CB 4.09Å; S422-Q424 VanDerWaalsContact OG-CG 3.26Å; S422-Q424 WeakPolarHBondContact OG-CG 3.34Å; S422-Q424 PolarHBondContact OG-OE1 3.31Å
425	V	92.8	Very high	92.1	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.17	24%	0.242	C	C	.	.	S	Bend	trans	-138.9	164.5	175.6	-69.2	0	0	0	0	110.6	Y416 I418 G423 M429 D430	Y416-V425 HydrophobicContact CE1-CG1 3.8Å; I418-V425 HydrophobicContact CD1-CG1 4.24Å; I418-V425 HydrophobicContact CD1-CG2 3.98Å; I418-V425 HydrophobicContact CG2-CG1 4.05Å; G423-V425 PolarHBondContact O-N 2.84Å; V425-M429 HydrophobicContact CB-CB 4.09Å; V425-M429 HydrophobicContact CB-CG 4.13Å; V425-M429 HydrophobicContact CG1-CG 4.39Å; V425-M429 HydrophobicContact CG2-CB 4.06Å; V425-M429 HydrophobicContact CG2-CG 4.14Å; V425-D430 HydrophobicContact CG2-CB 4.14Å
426	V	93.5	Very high	92.4	Very high	27 Å²	27	41.5 Å²	41.5	16%	0.164	23%	0.229	C	C	.	.			trans	-57.5	148.3	172.8	-59.3	0	0	0	0	111.5	G428 M429 D430 I446 Y452	V426-G428 VanDerWaalsContact C-N 3.3Å; V426-G428 PolarHBondContact O-N 3Å; V426-M429 HydrophobicContact CG2-CB 3.73Å; V426-M429 WeakPolarHBondContact O-CA 3.29Å; V426-M429 WeakPolarHBondContact O-CB 3.21Å; V426-M429 PolarHBondContact O-N 3.13Å; V426-D430 PolarHBondContact O-N 3.1Å; V426-I446 HydrophobicContact CG2-CD1 4.37Å; V426-Y452 HydrophobicContact CG1-CD1 4.32Å; V426-Y452 HydrophobicContact CG1-CD2 4.47Å; V426-Y452 HydrophobicContact CG1-CE1 3.99Å; V426-Y452 HydrophobicContact CG1-CE2 4.14Å
427	L	93.8	Very high	92.5	Very high	101 Å²	101	37.9 Å²	37.9	53%	0.529	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-39.3	-169.4	179.5	58.7	0	0	0	113.5	M429 D430 M431 L450	L427-M429 VanDerWaalsContact C-N 3.27Å; L427-M429 PolarHBondContact O-N 2.92Å; L427-D430 WeakPolarHBondContact O-CB 3.26Å; L427-D430 PolarHBondContact O-N 2.85Å; L427-M431 HydrophobicContact CD1-SD 4.47Å; L427-M431 HydrophobicContact CG-SD 4.2Å; L427-M431 WeakPolarHBondContact O-CG 3.4Å; L427-M431 PolarHBondContact O-N 2.89Å; L427-L450 HydrophobicContact CD2-CD2 3.89Å; L427-L450 HydrophobicContact CG-CD2 4.27Å; L427-L450 PolarHBondContact N-O 3Å
428	G	94.8	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-26.9	176.9	0	0	0	0	0	113.4	V426 G432 L450	V426-G428 VanDerWaalsContact C-N 3.3Å; V426-G428 PolarHBondContact O-N 3Å; G428-G432 WeakPolarHBondContact O-CA 3.37Å; G428-G432 PolarHBondContact O-N 3.22Å; G428-L450 PolarHBondContact N-O 3.46Å
429	M	96.1	Very high	92.9	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-79.2	-37	174.9	-171.4	62.4	166.9	0	0	110.8	Y394 V425 V426 L427 M431 G432 L433 I446 F469 I471	Y394-M429 HydrophobicContact CD2-CE 4.26Å; Y394-M429 HydrophobicContact CE2-CE 3.34Å; V425-M429 HydrophobicContact CB-CB 4.09Å; V425-M429 HydrophobicContact CB-CG 4.13Å; V425-M429 HydrophobicContact CG1-CG 4.39Å; V425-M429 HydrophobicContact CG2-CB 4.06Å; V425-M429 HydrophobicContact CG2-CG 4.14Å; V426-M429 HydrophobicContact CG2-CB 3.73Å; V426-M429 WeakPolarHBondContact O-CA 3.29Å; V426-M429 WeakPolarHBondContact O-CB 3.21Å; V426-M429 PolarHBondContact O-N 3.13Å; L427-M429 VanDerWaalsContact C-N 3.27Å; L427-M429 PolarHBondContact O-N 2.92Å; M429-M431 VanDerWaalsContact C-N 3.34Å; M429-G432 CarbonylContact O-C 3.59Å; M429-G432 PolarHBondContact O-N 3.45Å; M429-L433 HydrophobicContact CE-CD1 4.16Å; M429-L433 HydrophobicContact CE-CD2 4.34Å; M429-L433 HydrophobicContact CE-CG 4.28Å; M429-L433 HydrophobicContact CG-CD1 4Å; M429-L433 HydrophobicContact CG-CG 4.41Å; M429-L433 WeakPolarHBondContact O-CB 3.47Å; M429-L433 VanDerWaalsContact O-CG 3.27Å; M429-L433 WeakPolarHBondContact O-CG 3.28Å; M429-L433 PolarHBondContact O-N 2.89Å; M429-L433 HydrophobicContact SD-CD1 4.45Å; M429-L433 HydrophobicContact SD-CG 4.34Å; M429-I446 HydrophobicContact CB-CD1 3.96Å; M429-I446 HydrophobicContact SD-CD1 4.44Å; M429-F469 HydrophobicContact CE-CD1 3.96Å; M429-F469 HydrophobicContact CE-CE1 4.5Å; M429-F469 HydrophobicContact CE-CG 4.36Å; M429-F469 HydrophobicContact SD-CB 4.31Å; M429-F469 HydrophobicContact SD-CD1 4.18Å; M429-F469 HydrophobicContact SD-CD2 4.5Å; M429-F469 HydrophobicContact SD-CG 4.09Å; M429-I471 HydrophobicContact CE-CD1 3.52Å; M429-I471 HydrophobicContact CE-CG1 3.94Å; M429-I471 HydrophobicContact SD-CD1 3.65Å
430	D	94.9	Very high	93.2	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-42.9	171	-168.9	92.5	0	0	0	111.9	G421 V425 V426 L427 R434	G421-D430 WeakPolarHBondContact CA-OD1 3.21Å; G421-D430 PolarHBondContact N-OD1 2.8Å; V425-D430 HydrophobicContact CG2-CB 4.14Å; V426-D430 PolarHBondContact O-N 3.1Å; L427-D430 WeakPolarHBondContact O-CB 3.26Å; L427-D430 PolarHBondContact O-N 2.85Å; D430-R434 WeakPolarHBondContact O-CG 3.48Å; D430-R434 PolarHBondContact O-NE 2.73Å; D430-R434 IonicContact OD2-CZ 3.75Å; D430-R434 IonicContact OD2-NE 2.82Å; D430-R434 PolarHBondContact OD2-NE 3.2Å; D430-R434 IonicContact OD2-NH2 3.95Å; D430-R434 PolarHBondContact OD2-NH2 2.82Å
431	M	95.6	Very high	93.5	Very high	65 Å²	65	42.1 Å²	42.1	32%	0.32	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-45	170.9	-68.2	170.1	63.5	0	0	111	I371 L427 M429 L433 R434 L450	I371-M431 HydrophobicContact CD1-CB 3.58Å; I371-M431 HydrophobicContact CG1-CB 4.44Å; I371-M431 HydrophobicContact CG1-CE 4.45Å; L427-M431 HydrophobicContact CD1-SD 4.47Å; L427-M431 HydrophobicContact CG-SD 4.2Å; L427-M431 WeakPolarHBondContact O-CG 3.4Å; L427-M431 PolarHBondContact O-N 2.89Å; M429-M431 VanDerWaalsContact C-N 3.34Å; M431-L433 PolarHBondContact O-N 2.66Å; M431-R434 PolarHBondContact O-N 3Å; M431-L450 HydrophobicContact SD-CD1 4.42Å
432	G	95.8	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-6.9	-178.4	0	0	0	0	0	116.1	G428 M429 R442	G428-G432 WeakPolarHBondContact O-CA 3.37Å; G428-G432 PolarHBondContact O-N 3.22Å; M429-G432 CarbonylContact O-C 3.59Å; M429-G432 PolarHBondContact O-N 3.45Å; G432-R442 PolarHBondContact O-NE 3.38Å; G432-R442 PolarHBondContact O-NH2 3.32Å
433	L	96.6	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-2.1	175.8	-75.1	171	0	0	0	113.9	S386 L392 Y394 I418 L420 M429 M431 M436 I471	S386-L433 WeakPolarHBondContact CB-O 3.13Å; S386-L433 PolarHBondContact OG-O 2.66Å; L392-L433 HydrophobicContact CD1-CB 3.89Å; L392-L433 HydrophobicContact CD1-CD1 4.23Å; L392-L433 HydrophobicContact CD1-CD2 4.39Å; L392-L433 HydrophobicContact CD1-CG 4.41Å; Y394-L433 HydrophobicContact CD1-CD1 4.37Å; Y394-L433 HydrophobicContact CD1-CD2 4.34Å; Y394-L433 HydrophobicContact CD2-CD2 4.44Å; Y394-L433 HydrophobicContact CE1-CD1 3.7Å; Y394-L433 HydrophobicContact CE1-CD2 4.41Å; Y394-L433 HydrophobicContact CE2-CD1 4.44Å; Y394-L433 HydrophobicContact CE2-CD2 4.5Å; Y394-L433 HydrophobicContact CG-CD2 4.36Å; I418-L433 HydrophobicContact CD1-CD1 3.56Å; L420-L433 HydrophobicContact CD1-CB 3.7Å; L420-L433 HydrophobicContact CD1-CD1 4.47Å; M429-L433 HydrophobicContact CE-CD1 4.16Å; M429-L433 HydrophobicContact CE-CD2 4.34Å; M429-L433 HydrophobicContact CE-CG 4.28Å; M429-L433 HydrophobicContact CG-CD1 4Å; M429-L433 HydrophobicContact CG-CG 4.41Å; M429-L433 WeakPolarHBondContact O-CB 3.47Å; M429-L433 VanDerWaalsContact O-CG 3.27Å; M429-L433 WeakPolarHBondContact O-CG 3.28Å; M429-L433 PolarHBondContact O-N 2.89Å; M429-L433 HydrophobicContact SD-CD1 4.45Å; M429-L433 HydrophobicContact SD-CG 4.34Å; M431-L433 PolarHBondContact O-N 2.66Å; L433-M436 HydrophobicContact CD2-SD 4.36Å; L433-I471 HydrophobicContact CD2-CD1 4.14Å; L433-I471 HydrophobicContact CD2-CG2 3.87Å
434	R	95.2	Very high	95	Very high	100 Å²	100	36.2 Å²	36.2	38%	0.377	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	156	175.7	-64.6	164.7	-170	-151.3	-1.5	111.9	L420 D430 M431 M436 R442	L420-R434 HydrophobicContact CD2-CG 3.78Å; D430-R434 WeakPolarHBondContact O-CG 3.48Å; D430-R434 PolarHBondContact O-NE 2.73Å; D430-R434 IonicContact OD2-CZ 3.75Å; D430-R434 IonicContact OD2-NE 2.82Å; D430-R434 PolarHBondContact OD2-NE 3.2Å; D430-R434 IonicContact OD2-NH2 3.95Å; D430-R434 PolarHBondContact OD2-NH2 2.82Å; M431-R434 PolarHBondContact O-N 3Å; R434-M436 PolarHBondContact O-N 2.96Å; R434-R442 PolarHBondContact O-NH2 3.09Å
435	E	94.9	Very high	95.3	Very high	141 Å²	141	34.8 Å²	34.8	66%	0.659	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	32	177.3	-55.1	-171.6	174.1	0	0	113.8	K378 S386 R442	K378-E435 PolarHBondContact NZ-O 3.12Å; S386-E435 PolarHBondContact O-N 2.8Å; S386-E435 PolarHBondContact OG-N 3.19Å; E435-R442 PolarHBondContact O-NH1 3.22Å
436	M	95.3	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.			trans	-108.1	142.8	178.4	-158.5	166.1	-176.9	0	0	110.2	L385 S386 L433 R434 E440 R442 I471 L473	L385-M436 WeakPolarHBondContact CA-O 3.33Å; S386-M436 PolarHBondContact N-O 2.99Å; S386-M436 WeakPolarHBondContact OG-CB 3.4Å; S386-M436 PolarHBondContact OG-N 3.03Å; S386-M436 PolarHBondContact OG-O 3.18Å; L433-M436 HydrophobicContact CD2-SD 4.36Å; R434-M436 PolarHBondContact O-N 2.96Å; M436-E440 WeakPolarHBondContact CA-OE2 3.27Å; M436-E440 HydrophobicContact CE-CB 3.94Å; M436-E440 HydrophobicContact CE-CG 4.17Å; M436-E440 WeakPolarHBondContact CE-O 3.42Å; M436-E440 HydrophobicContact CG-CB 3.9Å; M436-E440 HydrophobicContact CG-CG 4.21Å; M436-R442 HydrophobicContact CE-CG 3.92Å; M436-R442 HydrophobicContact SD-CG 4.4Å; M436-R442 PolarHBondContact SD-NE 2.84Å; M436-I471 HydrophobicContact CE-CB 4.34Å; M436-I471 HydrophobicContact CE-CG2 3.96Å; M436-I471 HydrophobicContact SD-CG2 4.24Å; M436-L473 HydrophobicContact CB-CD2 3.88Å; M436-L473 HydrophobicContact CE-CB 3.75Å; M436-L473 HydrophobicContact CG-CB 4.05Å; M436-L473 HydrophobicContact CG-CD2 3.81Å; M436-L473 HydrophobicContact SD-CB 3.85Å; M436-L473 HydrophobicContact SD-CD2 4.35Å
437	C	94.7	Very high	95.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	16%	0.163	C	C	.	.			trans	-111.6	157.8	172.6	52.7	0	0	0	0	111.9	C382 V384 L385 G439 E440	C382-C437 HydrophobicContact CB-CB 3.93Å; C382-C437 WeakPolarHBondContact CB-SG 3.33Å; C382-C437 WeakPolarHBondContact SG-CB 3.43Å; C382-C437 CovalentContact SG-SG 2.03Å; C382-C437 PolarHBondContact SG-SG 3Å; V384-C437 VanDerWaalsContact O-CB 3.31Å; V384-C437 WeakPolarHBondContact O-CB 3.03Å; L385-C437 HydrophobicContact CD2-CB 4.17Å; C437-G439 PolarHBondContact O-N 3.06Å; C437-E440 PolarHBondContact N-OE2 2.84Å; C437-E440 VanDerWaalsContact O-CB 3.23Å; C437-E440 WeakPolarHBondContact O-CB 3.48Å; C437-E440 PolarHBondContact O-N 2.9Å
438	V	96.2	Very high	95.2	Very high	69 Å²	69	27.8 Å²	27.8	42%	0.418	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	125.9	179.2	174.4	0	0	0	0	110.1	P379 L474 L476	P379-V438 WeakPolarHBondContact CG-O 3.47Å; V438-L474 VanDerWaalsContact CG1-O 3.26Å; V438-L474 WeakPolarHBondContact CG1-O 3.26Å; V438-L476 HydrophobicContact CG2-CB 3.54Å
439	G	94.3	Very high	94.9	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-3.7	-174.8	0	0	0	0	0	114.8	Y377 P379 C437 L473	Y377-G439 WeakPolarHBondContact CD1-O 3.49Å; Y377-G439 WeakPolarHBondContact CE1-O 3.41Å; P379-G439 VanDerWaalsContact CG-C 3.43Å; C437-G439 PolarHBondContact O-N 3.06Å; G439-L473 PolarHBondContact N-O 3.3Å
440	E	96.6	Very high	94.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.161	C	C	.	.			trans	-67.3	141.3	171.6	-172	175.5	161	0	0	110.9	S375 Y377 K378 M436 C437 R442 E472 L473	S375-E440 PolarHBondContact OG-OE1 2.56Å; Y377-E440 CarbonylContact O-C 3.46Å; Y377-E440 WeakPolarHBondContact O-CA 3.49Å; Y377-E440 WeakPolarHBondContact O-CG 3.22Å; K378-E440 HydrophobicContact CB-CG 4.48Å; K378-E440 HydrophobicContact CD-CG 4.47Å; K378-E440 WeakPolarHBondContact CE-OE2 3.32Å; K378-E440 HydrophobicContact CG-CG 4.22Å; K378-E440 VanDerWaalsContact NZ-CD 3.28Å; K378-E440 IonicContact NZ-OE1 2.69Å; K378-E440 PolarHBondContact NZ-OE1 3.21Å; K378-E440 IonicContact NZ-OE2 2.63Å; K378-E440 PolarHBondContact NZ-OE2 3.4Å; M436-E440 WeakPolarHBondContact CA-OE2 3.27Å; M436-E440 HydrophobicContact CE-CB 3.94Å; M436-E440 HydrophobicContact CE-CG 4.17Å; M436-E440 WeakPolarHBondContact CE-O 3.42Å; M436-E440 HydrophobicContact CG-CB 3.9Å; M436-E440 HydrophobicContact CG-CG 4.21Å; C437-E440 PolarHBondContact N-OE2 2.84Å; C437-E440 VanDerWaalsContact O-CB 3.23Å; C437-E440 WeakPolarHBondContact O-CB 3.48Å; C437-E440 PolarHBondContact O-N 2.9Å; E440-R442 VanDerWaalsContact OE1-CD 3.28Å; E440-R442 WeakPolarHBondContact OE1-CD 3.44Å; E440-R442 IonicContact OE1-CZ 3.74Å; E440-R442 IonicContact OE1-NH1 3.92Å; E440-R442 PolarHBondContact OE1-NH1 3.08Å; E440-R442 VanDerWaalsContact OE1-NH1 3.07Å; E440-R442 IonicContact OE2-NH1 2.62Å; E440-E472 WeakPolarHBondContact O-CA 3.49Å; E440-L473 PolarHBondContact O-N 3.31Å
441	K	96.9	Very high	94.7	Very high	82 Å²	82	33 Å²	33	36%	0.357	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.8	170.8	-51.6	-166.2	-169.4	-140.1	0	110.7	H376 Y377 I471 E472	H376-K441 PolarHBondContact N-O 3.16Å; Y377-K441 HydrophobicContact CD1-CG 4.32Å; Y377-K441 PolarHBondContact N-O 3.43Å; Y377-K441 VanDerWaalsContact N-O 3.13Å; Y377-K441 PolarHBondContact O-N 2.95Å; K441-I471 CarbonylContact C-O 3.55Å; K441-I471 VanDerWaalsContact CA-O 3.24Å; K441-I471 WeakPolarHBondContact CA-O 3.36Å; K441-E472 HydrophobicContact CD-CB 4.48Å; K441-E472 HydrophobicContact CD-CG 4.4Å; K441-E472 WeakPolarHBondContact CE-OE1 3.39Å; K441-E472 WeakPolarHBondContact CE-OE2 3.4Å; K441-E472 HydrophobicContact CG-CB 4.16Å; K441-E472 HydrophobicContact CG-CG 4.11Å; K441-E472 IonicContact NZ-OE1 3.07Å; K441-E472 PolarHBondContact NZ-OE1 2.67Å; K441-E472 IonicContact NZ-OE2 3.25Å; K441-E472 PolarHBondContact NZ-OE2 3.28Å
442	R	97.2	Very high	94.5	Very high	9 Å²	9	35 Å²	35	3%	0.034	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.8	-177.1	70.1	-161	-164.9	-177.8	6.6	113.4	I373 T374 G432 R434 E435 M436 E440 V444 I471	I373-R442 HydrophobicContact CG2-CG 4.31Å; T374-R442 CarbonylContact O-C 3.59Å; T374-R442 WeakPolarHBondContact O-CA 3.46Å; T374-R442 VanDerWaalsContact O-CB 3.29Å; T374-R442 WeakPolarHBondContact O-CB 3.07Å; G432-R442 PolarHBondContact O-NE 3.38Å; G432-R442 PolarHBondContact O-NH2 3.32Å; R434-R442 PolarHBondContact O-NH2 3.09Å; E435-R442 PolarHBondContact O-NH1 3.22Å; M436-R442 HydrophobicContact CE-CG 3.92Å; M436-R442 HydrophobicContact SD-CG 4.4Å; M436-R442 PolarHBondContact SD-NE 2.84Å; E440-R442 VanDerWaalsContact OE1-CD 3.28Å; E440-R442 WeakPolarHBondContact OE1-CD 3.44Å; E440-R442 IonicContact OE1-CZ 3.74Å; E440-R442 IonicContact OE1-NH1 3.92Å; E440-R442 PolarHBondContact OE1-NH1 3.08Å; E440-R442 VanDerWaalsContact OE1-NH1 3.07Å; E440-R442 IonicContact OE2-NH1 2.62Å; R442-V444 HydrophobicContact CG-CG2 4.41Å; R442-I471 PolarHBondContact N-O 2.93Å; R442-I471 PolarHBondContact O-N 3.23Å
443	T	96.9	Very high	94.1	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.117	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.8	166.6	-52.3	0	0	0	0	109.3	I373 T374 H376 I445 V468 F469 D470	I373-T443 WeakPolarHBondContact CA-O 3.33Å; T374-T443 PolarHBondContact N-O 3.01Å; T374-T443 PolarHBondContact O-N 3.02Å; H376-T443 PolarHBondContact NE2-OG1 3.23Å; T443-I445 HydrophobicContact CG2-CG1 4.33Å; T443-V468 HydrophobicContact CG2-CG1 3.49Å; T443-V468 VanDerWaalsContact CG2-CG1 3.49Å; T443-F469 CarbonylContact C-O 3.53Å; T443-F469 VanDerWaalsContact CA-O 3.27Å; T443-F469 WeakPolarHBondContact CA-O 3.46Å; T443-D470 WeakPolarHBondContact CB-OD1 3.06Å; T443-D470 WeakPolarHBondContact CG2-OD1 3.46Å; T443-D470 PolarHBondContact OG1-OD1 3.28Å
444	V	96.4	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.9	167.8	-177.1	0	0	0	0	108.6	I371 S372 I373 R442 I446 F469 I471	I371-V444 HydrophobicContact CB-CG1 4.28Å; I371-V444 HydrophobicContact CD1-CG1 4.18Å; S372-V444 CarbonylContact O-C 3.56Å; S372-V444 WeakPolarHBondContact O-CA 3.46Å; I373-V444 HydrophobicContact CG1-CG1 4.48Å; I373-V444 HydrophobicContact CG1-CG2 4.36Å; I373-V444 HydrophobicContact CG2-CG2 4.42Å; R442-V444 HydrophobicContact CG-CG2 4.41Å; V444-I446 HydrophobicContact CG1-CD1 4.33Å; V444-I446 HydrophobicContact CG1-CG1 3.81Å; V444-F469 PolarHBondContact N-O 3.22Å; V444-F469 PolarHBondContact O-N 2.6Å; V444-I471 HydrophobicContact CB-CD1 4.22Å; V444-I471 HydrophobicContact CG2-CD1 3.59Å
445	I	93.5	Very high	93.1	Very high	51 Å²	51	42.2 Å²	42.2	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.7	173.6	-53	178	0	0	0	107.9	I371 S372 L401 T443 V466 L467	I371-I445 VanDerWaalsContact CA-O 3.28Å; I371-I445 WeakPolarHBondContact CA-O 3.28Å; I371-I445 WeakPolarHBondContact CB-O 3.47Å; S372-I445 PolarHBondContact N-O 3.19Å; S372-I445 PolarHBondContact O-N 2.8Å; L401-I445 HydrophobicContact CD2-CG2 4.28Å; T443-I445 HydrophobicContact CG2-CG1 4.33Å; I445-V466 HydrophobicContact CG2-CG1 3.53Å; I445-L467 CarbonylContact C-O 3.59Å; I445-L467 WeakPolarHBondContact CA-O 3.17Å
446	I	94	Very high	92.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.9	-172.2	-58.6	176.7	0	0	0	109.8	I371 V426 M429 V444 L450 L467 F469	I371-I446 HydrophobicContact CG2-CG1 4.14Å; V426-I446 HydrophobicContact CG2-CD1 4.37Å; M429-I446 HydrophobicContact CB-CD1 3.96Å; M429-I446 HydrophobicContact SD-CD1 4.44Å; V444-I446 HydrophobicContact CG1-CD1 4.33Å; V444-I446 HydrophobicContact CG1-CG1 3.81Å; I446-L450 HydrophobicContact CG2-CB 3.92Å; I446-L467 HydrophobicContact CB-CB 4.31Å; I446-L467 PolarHBondContact N-O 3.25Å; I446-L467 PolarHBondContact O-N 3.4Å; I446-F469 HydrophobicContact CD1-CD2 3.63Å; I446-F469 HydrophobicContact CD1-CE2 3.79Å; I446-F469 HydrophobicContact CG1-CD2 4.39Å
447	P	91.9	Very high	92.6	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.039	22%	0.222	C	C	.	.			trans	-58.4	150	169.1	-24.1	34.3	0	0	0	111.8	D369 H449 L450 G451	D369-P447 HydrophobicContact CB-CB 4.06Å; D369-P447 HydrophobicContact CB-CG 3.52Å; P447-H449 VanDerWaalsContact C-N 3.28Å; P447-H449 PolarHBondContact O-N 3.4Å; P447-L450 PolarHBondContact O-N 3.2Å; P447-G451 PolarHBondContact O-N 3.32Å
448	P	90.5	Very high	92.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.019	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64	-32.6	-167.7	-18.1	30.6	0	0	0	113.1	H365 L450 G451 Y452 G453 S464 A465 V466	H365-P448 VanDerWaalsContact CD2-CD 3.43Å; H365-P448 WeakPolarHBondContact CD2-CD 3.16Å; H365-P448 VanDerWaalsContact CE1-CG 3.48Å; H365-P448 WeakPolarHBondContact CE1-CG 3.15Å; P448-L450 PolarHBondContact O-N 2.62Å; P448-G451 CarbonylContact O-C 3.54Å; P448-G451 VanDerWaalsContact O-C 3.31Å; P448-G451 WeakPolarHBondContact O-CA 3.3Å; P448-G451 PolarHBondContact O-N 3.41Å; P448-Y452 PolarHBondContact O-N 3.44Å; P448-G453 VanDerWaalsContact O-CA 3.28Å; P448-G453 WeakPolarHBondContact O-CA 3.49Å; P448-G453 PolarHBondContact O-N 3.03Å; P448-S464 WeakPolarHBondContact CG-O 3.42Å; P448-A465 WeakPolarHBondContact CG-O 3.4Å; P448-V466 HydrophobicContact CG-CG2 4.41Å
449	H	89.8	Confident	91.7	Very high	82 Å²	82	46.8 Å²	46.8	38%	0.38	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-67.5	-12.3	177.1	72.3	-97.9	0	0	0	113.8	N366 P367 D369 P447	N366-H449 PolarHBondContact O-CE1 3.24Å; P367-H449 PolarHBondContact O-CE1 3.39Å; D369-H449 PolarHBondContact O-CE1 2.97Å; D369-H449 PolarHBondContact O-NE2 3Å; P447-H449 VanDerWaalsContact C-N 3.28Å; P447-H449 PolarHBondContact O-N 3.4Å
450	L	93.6	Very high	91.3	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.11	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-105.3	-2.7	168	-56.7	-179.7	0	0	0	112.4	I371 L427 G428 M431 I446 P447 P448	I371-L450 HydrophobicContact CG2-CD1 3.76Å; L427-L450 HydrophobicContact CD2-CD2 3.89Å; L427-L450 HydrophobicContact CG-CD2 4.27Å; L427-L450 PolarHBondContact N-O 3Å; G428-L450 PolarHBondContact N-O 3.46Å; M431-L450 HydrophobicContact SD-CD1 4.42Å; I446-L450 HydrophobicContact CG2-CB 3.92Å; P447-L450 PolarHBondContact O-N 3.2Å; P448-L450 PolarHBondContact O-N 2.62Å
451	G	92.8	Very high	90.9	Very high	19 Å²	19	53.1 Å²	53.1	20%	0.196	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-121	177.6	0	0	0	0	0	112	P447 P448	P447-G451 PolarHBondContact O-N 3.32Å; P448-G451 CarbonylContact O-C 3.54Å; P448-G451 VanDerWaalsContact O-C 3.31Å; P448-G451 WeakPolarHBondContact O-CA 3.3Å; P448-G451 PolarHBondContact O-N 3.41Å
452	Y	91.5	Very high	90.4	Very high	107 Å²	107	52 Å²	52	42%	0.42	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.6	-178.5	-62.1	-81.5	0	0	0	114.6	V426 P448 G456 V457 V461 L467	V426-Y452 HydrophobicContact CG1-CD1 4.32Å; V426-Y452 HydrophobicContact CG1-CD2 4.47Å; V426-Y452 HydrophobicContact CG1-CE1 3.99Å; V426-Y452 HydrophobicContact CG1-CE2 4.14Å; P448-Y452 PolarHBondContact O-N 3.44Å; Y452-G456 PolarHBondContact O-N 2.03Å; Y452-G456 VanDerWaalsContact O-N 3.13Å; Y452-V457 HydrophobicContact CD1-CG2 3.38Å; Y452-V457 HydrophobicContact CD2-CG2 4.37Å; Y452-V457 HydrophobicContact CE1-CG2 3.6Å; Y452-V457 HydrophobicContact CG-CG2 3.8Å; Y452-V461 HydrophobicContact CD2-CB 4.33Å; Y452-V461 HydrophobicContact CD2-CG1 3.94Å; Y452-V461 HydrophobicContact CD2-CG2 4.17Å; Y452-V461 HydrophobicContact CE2-CG2 4.12Å; Y452-L467 HydrophobicContact CD2-CD1 3.82Å; Y452-L467 HydrophobicContact CE2-CD1 3.97Å
453	G	88.3	Confident	89.9	Confident	24 Å²	24	52.9 Å²	52.9	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-160.1	176	0	0	0	0	0	115.1	P448 A455 S464	P448-G453 VanDerWaalsContact O-CA 3.28Å; P448-G453 WeakPolarHBondContact O-CA 3.49Å; P448-G453 PolarHBondContact O-N 3.03Å; G453-A455 PolarHBondContact O-N 2.83Å; G453-S464 PolarHBondContact O-N 2.96Å
454	E	84	Confident	89.4	Confident	136 Å²	136	52.3 Å²	52.3	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.6	177.4	-59.4	-175.4	158	0	0	112.8	G463 S464	E454-G463 WeakPolarHBondContact O-CA 3.35Å; E454-S464 WeakPolarHBondContact CA-OG 3.2Å
455	A	86.8	Confident	88.9	Confident	92 Å²	92	52.5 Å²	52.5	76%	0.76	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-37.7	-179	0	0	0	0	0	113.3	G453	G453-A455 PolarHBondContact O-N 2.83Å
456	G	89.2	Confident	88.7	Confident	15 Å²	15	50.4 Å²	50.4	16%	0.155	31%	0.31	C	S	.	.			trans	67.7	-149.9	-173.1	0	0	0	0	0	112.7	Y452 V461	Y452-G456 PolarHBondContact O-N 2.03Å; Y452-G456 VanDerWaalsContact O-N 3.13Å; G456-V461 CarbonylContact C-O 3.43Å; G456-V461 WeakPolarHBondContact CA-O 3.46Å
457	V	90.3	Very high	88.6	Confident	46 Å²	46	50.5 Å²	50.5	28%	0.279	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-135.8	122	173.2	-176.5	0	0	0	0	107.7	Y452 G459 E460 V461	Y452-V457 HydrophobicContact CD1-CG2 3.38Å; Y452-V457 HydrophobicContact CD2-CG2 4.37Å; Y452-V457 HydrophobicContact CE1-CG2 3.6Å; Y452-V457 HydrophobicContact CG-CG2 3.8Å; V457-G459 PolarHBondContact O-N 3.34Å; V457-E460 HydrophobicContact CB-CB 4.16Å; V457-E460 HydrophobicContact CG1-CB 3.98Å; V457-E460 HydrophobicContact CG1-CG 4.36Å; V457-E460 PolarHBondContact O-N 2.7Å; V457-E460 VanDerWaalsContact O-N 3.1Å; V457-V461 HydrophobicContact CB-CB 4.05Å; V457-V461 HydrophobicContact CB-CG2 4.27Å; V457-V461 HydrophobicContact CG2-CB 4.23Å; V457-V461 HydrophobicContact CG2-CG2 4.3Å; V457-V461 PolarHBondContact N-O 3.28Å; V457-V461 PolarHBondContact O-N 2.92Å; V457-V461 VanDerWaalsContact O-O 3.09Å
458	D	86.8	Confident	88.8	Confident	166 Å²	166	51.1 Å²	51.1	89%	0.888	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	134.8	-175.3	-171.4	26.2	0	0	0	111.8	E460	D458-E460 PolarHBondContact O-N 2.83Å; D458-E460 VanDerWaalsContact O-N 3.08Å
459	G	83.8	Confident	89.1	Confident	82 Å²	82	51.9 Å²	51.9	85%	0.845	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-14.9	-174.1	0	0	0	0	0	116.9	V457	V457-G459 PolarHBondContact O-N 3.34Å
460	E	86.9	Confident	89.4	Confident	140 Å²	140	51.5 Å²	51.5	65%	0.654	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-55.7	-172.9	-65.3	-178.7	-179.4	0	0	113.4	L406 V457 D458	L406-E460 WeakPolarHBondContact CD2-O 3.36Å; V457-E460 HydrophobicContact CB-CB 4.16Å; V457-E460 HydrophobicContact CG1-CB 3.98Å; V457-E460 HydrophobicContact CG1-CG 4.36Å; V457-E460 PolarHBondContact O-N 2.7Å; V457-E460 VanDerWaalsContact O-N 3.1Å; D458-E460 PolarHBondContact O-N 2.83Å; D458-E460 VanDerWaalsContact O-N 3.08Å
461	V	88.9	Confident	89.6	Confident	15 Å²	15	50.7 Å²	50.7	9%	0.091	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-127.1	116.3	-172	-176.9	0	0	0	0	110.2	Y452 G456 V457 A465 L467	Y452-V461 HydrophobicContact CD2-CB 4.33Å; Y452-V461 HydrophobicContact CD2-CG1 3.94Å; Y452-V461 HydrophobicContact CD2-CG2 4.17Å; Y452-V461 HydrophobicContact CE2-CG2 4.12Å; G456-V461 CarbonylContact C-O 3.43Å; G456-V461 WeakPolarHBondContact CA-O 3.46Å; V457-V461 HydrophobicContact CB-CB 4.05Å; V457-V461 HydrophobicContact CB-CG2 4.27Å; V457-V461 HydrophobicContact CG2-CB 4.23Å; V457-V461 HydrophobicContact CG2-CG2 4.3Å; V457-V461 PolarHBondContact N-O 3.28Å; V457-V461 PolarHBondContact O-N 2.92Å; V457-V461 VanDerWaalsContact O-O 3.09Å; V461-A465 HydrophobicContact CG1-CB 4.31Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å
462	P	85.8	Confident	89.8	Confident	60 Å²	60	52 Å²	52	39%	0.39	31%	0.314	S	S	.	.			trans	-60.8	143.9	178.2	-23.4	33.7	0	0	0	113	L400 A465	L400-P462 HydrophobicContact CD1-CG 4.28Å; P462-A465 HydrophobicContact CB-CB 4.28Å; P462-A465 WeakPolarHBondContact O-CB 3.26Å; P462-A465 PolarHBondContact O-N 3.19Å; P462-A465 VanDerWaalsContact O-N 3.17Å
463	G	87.3	Confident	90	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	138.4	173.3	0	0	0	0	0	112.6	R282 E454 A465	R282-G463 PolarHBondContact NH1-O 2.92Å; E454-G463 WeakPolarHBondContact O-CA 3.35Å; G463-A465 PolarHBondContact O-N 3.07Å
464	S	84.9	Confident	90.3	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	24.6	-174.9	-63.6	0	0	0	0	115.2	R282 P448 G453 E454	R282-S464 PolarHBondContact NE-O 2.79Å; P448-S464 WeakPolarHBondContact CG-O 3.42Å; G453-S464 PolarHBondContact O-N 2.96Å; E454-S464 WeakPolarHBondContact CA-OG 3.2Å
465	A	86.4	Confident	90.8	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-75.8	130	175.2	0	0	0	0	0	113.6	L400 P448 V461 P462 G463 L467	L400-A465 HydrophobicContact CD2-CB 3.67Å; P448-A465 WeakPolarHBondContact CG-O 3.4Å; V461-A465 HydrophobicContact CG1-CB 4.31Å; P462-A465 HydrophobicContact CB-CB 4.28Å; P462-A465 WeakPolarHBondContact O-CB 3.26Å; P462-A465 PolarHBondContact O-N 3.19Å; P462-A465 VanDerWaalsContact O-N 3.17Å; G463-A465 PolarHBondContact O-N 3.07Å; A465-L467 HydrophobicContact CB-CD2 4.37Å
466	V	88.5	Confident	91.1	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-75.3	128.2	166.6	-172.4	0	0	0	0	108.6	H365 L401 I445 P448	H365-V466 HydrophobicContact CB-CG2 3.98Å; L401-V466 HydrophobicContact CD1-CB 3.61Å; L401-V466 HydrophobicContact CD1-CG1 3.76Å; L401-V466 HydrophobicContact CD1-CG2 4.03Å; L401-V466 HydrophobicContact CG-CB 4.06Å; L401-V466 HydrophobicContact CG-CG1 4.09Å; I445-V466 HydrophobicContact CG2-CG1 3.53Å; P448-V466 HydrophobicContact CG-CG2 4.41Å
467	L	93.2	Very high	91.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.4	-176.1	-46.3	173.9	0	0	0	110.6	L406 I445 I446 Y452 V461 A465 F469	L406-L467 HydrophobicContact CD1-CD2 3.95Å; I445-L467 CarbonylContact C-O 3.59Å; I445-L467 WeakPolarHBondContact CA-O 3.17Å; I446-L467 HydrophobicContact CB-CB 4.31Å; I446-L467 PolarHBondContact N-O 3.25Å; I446-L467 PolarHBondContact O-N 3.4Å; Y452-L467 HydrophobicContact CD2-CD1 3.82Å; Y452-L467 HydrophobicContact CE2-CD1 3.97Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å; A465-L467 HydrophobicContact CB-CD2 4.37Å; L467-F469 HydrophobicContact CB-CD2 4.14Å; L467-F469 HydrophobicContact CB-CE2 3.7Å; L467-F469 HydrophobicContact CD1-CE2 3.9Å; L467-F469 HydrophobicContact CD1-CZ 4.47Å; L467-F469 HydrophobicContact CG-CE2 4.44Å
468	V	95	Very high	91.1	Very high	19 Å²	19	44.6 Å²	44.6	12%	0.115	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122	175.2	-174.5	0	0	0	0	108.1	A398 S399 L401 T443	A398-V468 CarbonylContact C-O 3.51Å; A398-V468 WeakPolarHBondContact CA-O 3.39Å; S399-V468 PolarHBondContact N-O 2.86Å; S399-V468 PolarHBondContact O-N 3.32Å; L401-V468 HydrophobicContact CD2-CG2 3.65Å; L401-V468 HydrophobicContact CG-CG2 4.11Å; T443-V468 HydrophobicContact CG2-CG1 3.49Å; T443-V468 VanDerWaalsContact CG2-CG1 3.49Å
469	F	97	Very high	90.9	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.088	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114	178.2	-76.7	-94.1	0	0	0	110.4	Y396 N397 A398 M429 T443 V444 I446 L467 I471	Y396-F469 HydrophobicContact CD2-CD1 4.05Å; Y396-F469 HydrophobicContact CD2-CE1 4.09Å; Y396-F469 HydrophobicContact CE2-CE1 4.38Å; Y396-F469 HydrophobicContact CG-CD1 4.22Å; Y396-F469 HydrophobicContact CG-CE1 4.49Å; N397-F469 WeakPolarHBondContact O-CA 3.46Å; A398-F469 HydrophobicContact CB-CD1 3.87Å; A398-F469 HydrophobicContact CB-CE1 3.56Å; A398-F469 HydrophobicContact CB-CZ 4.02Å; M429-F469 HydrophobicContact CE-CD1 3.96Å; M429-F469 HydrophobicContact CE-CE1 4.5Å; M429-F469 HydrophobicContact CE-CG 4.36Å; M429-F469 HydrophobicContact SD-CB 4.31Å; M429-F469 HydrophobicContact SD-CD1 4.18Å; M429-F469 HydrophobicContact SD-CD2 4.5Å; M429-F469 HydrophobicContact SD-CG 4.09Å; T443-F469 CarbonylContact C-O 3.53Å; T443-F469 VanDerWaalsContact CA-O 3.27Å; T443-F469 WeakPolarHBondContact CA-O 3.46Å; V444-F469 PolarHBondContact N-O 3.22Å; V444-F469 PolarHBondContact O-N 2.6Å; I446-F469 HydrophobicContact CD1-CD2 3.63Å; I446-F469 HydrophobicContact CD1-CE2 3.79Å; I446-F469 HydrophobicContact CG1-CD2 4.39Å; L467-F469 HydrophobicContact CB-CD2 4.14Å; L467-F469 HydrophobicContact CB-CE2 3.7Å; L467-F469 HydrophobicContact CD1-CE2 3.9Å; L467-F469 HydrophobicContact CD1-CZ 4.47Å; L467-F469 HydrophobicContact CG-CE2 4.44Å; F469-I471 HydrophobicContact CB-CD1 4.23Å; F469-I471 HydrophobicContact CB-CG1 3.98Å
470	D	96.9	Very high	90.8	Very high	73 Å²	73	34.6 Å²	34.6	39%	0.39	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.3	167.4	-72.1	-30.3	0	0	0	109	Y396 N397 T443	Y396-D470 CarbonylContact C-O 3.55Å; Y396-D470 WeakPolarHBondContact CA-O 3.23Å; N397-D470 HydrophobicContact CB-CB 4.45Å; N397-D470 PolarHBondContact N-O 2.77Å; N397-D470 PolarHBondContact O-N 2.71Å; T443-D470 WeakPolarHBondContact CB-OD1 3.06Å; T443-D470 WeakPolarHBondContact CG2-OD1 3.46Å; T443-D470 PolarHBondContact OG1-OD1 3.28Å
471	I	97.3	Very high	90.4	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.8	-167.4	-49.9	174.4	0	0	0	110.8	Y394 H395 M429 L433 M436 K441 R442 V444 F469	Y394-I471 HydrophobicContact CD2-CG2 3.91Å; Y394-I471 HydrophobicContact CG-CG2 4.42Å; H395-I471 WeakPolarHBondContact O-CA 3.22Å; M429-I471 HydrophobicContact CE-CD1 3.52Å; M429-I471 HydrophobicContact CE-CG1 3.94Å; M429-I471 HydrophobicContact SD-CD1 3.65Å; L433-I471 HydrophobicContact CD2-CD1 4.14Å; L433-I471 HydrophobicContact CD2-CG2 3.87Å; M436-I471 HydrophobicContact CE-CB 4.34Å; M436-I471 HydrophobicContact CE-CG2 3.96Å; M436-I471 HydrophobicContact SD-CG2 4.24Å; K441-I471 CarbonylContact C-O 3.55Å; K441-I471 VanDerWaalsContact CA-O 3.24Å; K441-I471 WeakPolarHBondContact CA-O 3.36Å; R442-I471 PolarHBondContact N-O 2.93Å; R442-I471 PolarHBondContact O-N 3.23Å; V444-I471 HydrophobicContact CB-CD1 4.22Å; V444-I471 HydrophobicContact CG2-CD1 3.59Å; F469-I471 HydrophobicContact CB-CD1 4.23Å; F469-I471 HydrophobicContact CB-CG1 3.98Å
472	E	96.7	Very high	89.6	Confident	46 Å²	46	37.9 Å²	37.9	22%	0.215	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.9	167.3	173.8	167.8	-159.2	0	0	110.2	Y394 H395 E440 K441 L474	Y394-E472 CarbonylContact C-O 3.57Å; Y394-E472 VanDerWaalsContact CA-O 3.3Å; Y394-E472 WeakPolarHBondContact CA-O 3.5Å; Y394-E472 VanDerWaalsContact CB-O 3.31Å; Y394-E472 WeakPolarHBondContact CB-O 3.46Å; H395-E472 HydrophobicContact CB-CB 4.5Å; H395-E472 PolarHBondContact N-O 2.81Å; H395-E472 PolarHBondContact O-N 2.84Å; E440-E472 WeakPolarHBondContact O-CA 3.49Å; K441-E472 HydrophobicContact CD-CB 4.48Å; K441-E472 HydrophobicContact CD-CG 4.4Å; K441-E472 WeakPolarHBondContact CE-OE1 3.39Å; K441-E472 WeakPolarHBondContact CE-OE2 3.4Å; K441-E472 HydrophobicContact CG-CB 4.16Å; K441-E472 HydrophobicContact CG-CG 4.11Å; K441-E472 IonicContact NZ-OE1 3.07Å; K441-E472 PolarHBondContact NZ-OE1 2.67Å; K441-E472 IonicContact NZ-OE2 3.25Å; K441-E472 PolarHBondContact NZ-OE2 3.28Å; E472-L474 HydrophobicContact CG-CD2 4.01Å
473	L	96.4	Very high	88.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.6	179.9	-178.1	62	0	0	0	110.5	L392 K393 M436 G439 E440 E475	L392-L473 HydrophobicContact CB-CD1 4Å; L392-L473 HydrophobicContact CD2-CD1 4.11Å; L392-L473 HydrophobicContact CG-CD1 4.46Å; K393-L473 WeakPolarHBondContact O-CD1 3.39Å; M436-L473 HydrophobicContact CB-CD2 3.88Å; M436-L473 HydrophobicContact CE-CB 3.75Å; M436-L473 HydrophobicContact CG-CB 4.05Å; M436-L473 HydrophobicContact CG-CD2 3.81Å; M436-L473 HydrophobicContact SD-CB 3.85Å; M436-L473 HydrophobicContact SD-CD2 4.35Å; G439-L473 PolarHBondContact N-O 3.3Å; E440-L473 PolarHBondContact O-N 3.31Å; L473-E475 WeakPolarHBondContact CD1-O 3.15Å
474	L	94.6	Very high	88.2	Confident	65 Å²	65	44.3 Å²	44.3	34%	0.34	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-32.2	-172.2	-52.9	166.4	0	0	0	112.8	K393 H395 T415 V438 E472	K393-L474 WeakPolarHBondContact O-CA 3.24Å; K393-L474 WeakPolarHBondContact O-CB 3.19Å; K393-L474 PolarHBondContact O-N 3.22Å; H395-L474 VanDerWaalsContact CD2-CD1 3.5Å; H395-L474 WeakPolarHBondContact CD2-CD1 3.31Å; T415-L474 HydrophobicContact CG2-CD1 3.39Å; V438-L474 VanDerWaalsContact CG1-O 3.26Å; V438-L474 WeakPolarHBondContact CG1-O 3.26Å; E472-L474 HydrophobicContact CG-CD2 4.01Å
475	E	94.1	Very high	87.9	Confident	70 Å²	70	47.8 Å²	47.8	33%	0.327	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.3	-176.2	-161.5	-174.9	113.6	0	0	110.1	L392 K393 L473 V477	L392-E475 WeakPolarHBondContact CA-O 3.48Å; K393-E475 HydrophobicContact CB-CB 3.84Å; K393-E475 HydrophobicContact CD-CB 4.47Å; K393-E475 HydrophobicContact CG-CB 4.01Å; K393-E475 PolarHBondContact N-O 2.73Å; K393-E475 IonicContact NZ-OE1 3.77Å; K393-E475 PolarHBondContact NZ-OE1 2.67Å; K393-E475 IonicContact NZ-OE2 3.39Å; K393-E475 PolarHBondContact NZ-OE2 2.78Å; K393-E475 PolarHBondContact O-N 3.45Å; K393-E475 VanDerWaalsContact O-N 3.1Å; L473-E475 WeakPolarHBondContact CD1-O 3.15Å; E475-V477 HydrophobicContact CG-CG2 4.21Å; E475-V477 WeakPolarHBondContact OE1-CG2 3.44Å
476	L	93.8	Very high	87.8	Confident	29 Å²	29	48.7 Å²	48.7	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.4	176.2	171.7	58	0	0	0	107.9	V384 D390 L392 V438	V384-L476 HydrophobicContact CB-CD2 4.49Å; V384-L476 HydrophobicContact CG1-CD2 3.84Å; D390-L476 HydrophobicContact CB-CD1 3.73Å; L392-L476 HydrophobicContact CD2-CD1 3.44Å; L392-L476 VanDerWaalsContact CD2-CD1 3.44Å; V438-L476 HydrophobicContact CG2-CB 3.54Å
477	V	90.9	Very high	87.6	Confident	51 Å²	51	50.4 Å²	50.4	31%	0.309	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.9	173.9	-176.5	0	0	0	0	107.8	Y391 E475 P530	Y391-V477 HydrophobicContact CD1-CB 4.14Å; Y391-V477 HydrophobicContact CD1-CG2 4.1Å; Y391-V477 PolarHBondContact N-O 2.93Å; Y391-V477 PolarHBondContact O-N 2.62Å; E475-V477 HydrophobicContact CG-CG2 4.21Å; E475-V477 WeakPolarHBondContact OE1-CG2 3.44Å; V477-P530 HydrophobicContact CB-CB 4.41Å; V477-P530 HydrophobicContact CG1-CB 4Å; V477-P530 HydrophobicContact CG1-CG 4.14Å
478	A	87.3	Confident	87.1	Confident	50 Å²	50	53.9 Å²	53.9	41%	0.413	30%	0.295	S	S	.	.			trans	-53.5	143.2	-179	0	0	0	0	0	111.7	D390 K527	D390-A478 WeakPolarHBondContact OD1-CA 3.44Å; A478-K527 PolarHBondContact O-NZ 3.4Å
479	G	82.9	Confident	86.4	Confident	14 Å²	14	57.2 Å²	57.2	14%	0.144	31%	0.313	C	S	.	.			trans	-71.8	-166.2	-173.4	0	0	0	0	0	116.3	G389 D390 K527	G389-G479 WeakPolarHBondContact O-CA 3.32Å; D390-G479 PolarHBondContact OD1-N 3.47Å; G479-K527 PolarHBondContact O-NZ 3.38Å
480	L	82.2	Confident	85.5	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.12	33%	0.333	C	S	.	.			trans	-107.4	164.6	160.4	-62.9	-166.6	0	0	0	109.8	Y484 M485 I487 K527 A529	L480-Y484 WeakPolarHBondContact CD1-O 3.39Å; L480-M485 VanDerWaalsContact CD1-C 3.49Å; L480-I487 HydrophobicContact CD1-CG2 4.39Å; L480-I487 HydrophobicContact CD2-CD1 3.74Å; L480-I487 HydrophobicContact CD2-CG1 3.71Å; L480-I487 HydrophobicContact CD2-CG2 4.34Å; L480-K527 HydrophobicContact CD2-CB 4.29Å; L480-K527 HydrophobicContact CD2-CD 3.63Å; L480-K527 HydrophobicContact CD2-CG 3.9Å; L480-A529 HydrophobicContact CD1-CB 3.95Å; L480-A529 HydrophobicContact CG-CB 4.39Å
481	P	77.8	Confident	84.3	Confident	72 Å²	72	64.8 Å²	64.8	47%	0.468	36%	0.359	S	S	.	.			trans	-59.5	152.5	170.4	-20.9	33.6	0	0	0	112.1	G483 Y484 I487	P481-G483 PolarHBondContact O-N 2.88Å; P481-Y484 HydrophobicContact CB-CD2 3.83Å; P481-Y484 HydrophobicContact CB-CE2 4.31Å; P481-Y484 PolarHBondContact O-N 3.43Å; P481-Y484 VanDerWaalsContact O-N 3.11Å; P481-I487 HydrophobicContact CG-CG2 4.41Å
482	E	71.9	Confident	83.4	Confident	153 Å²	153	67.7 Å²	67.7	72%	0.715	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	128.1	-178	-175.7	151.3	-158.6	0	0	111.5	K388	K388-E482 IonicContact NZ-OE1 2.62Å; K388-E482 PolarHBondContact NZ-OE1 2.89Å; K388-E482 IonicContact NZ-OE2 3.96Å; K388-E482 PolarHBondContact NZ-OE2 2.93Å
483	G	68.7	Low	82.5	Confident	81 Å²	81	67 Å²	67	84%	0.835	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-7.4	-174.5	0	0	0	0	0	115.9	P481	P481-G483 PolarHBondContact O-N 2.88Å
484	Y	76.1	Confident	81.6	Confident	139 Å²	139	73.1 Å²	73.1	55%	0.545	42%	0.417	S	S	.	.			trans	-106	122.7	-175.9	-67.2	-100.5	0	0	0	112.6	L480 P481 I487	L480-Y484 WeakPolarHBondContact CD1-O 3.39Å; P481-Y484 HydrophobicContact CB-CD2 3.83Å; P481-Y484 HydrophobicContact CB-CE2 4.31Å; P481-Y484 PolarHBondContact O-N 3.43Å; P481-Y484 VanDerWaalsContact O-N 3.11Å; Y484-I487 HydrophobicContact CD1-CG2 4.02Å; Y484-I487 HydrophobicContact CG-CG2 4.12Å
485	M	78.7	Confident	81	Confident	81 Å²	81	73.6 Å²	73.6	40%	0.399	42%	0.42	S	S	.	.	S	Bend	trans	-89.4	-14.8	169.5	-59.5	-58	-67.9	0	0	113.1	L480 L528 A529 F532 I537	L480-M485 VanDerWaalsContact CD1-C 3.49Å; M485-L528 CarbonylContact O-C 3.57Å; M485-A529 HydrophobicContact CE-CB 4.13Å; M485-A529 PolarHBondContact O-N 3.13Å; M485-A529 HydrophobicContact SD-CB 4.41Å; M485-F532 HydrophobicContact CE-CB 4.21Å; M485-F532 HydrophobicContact CE-CD1 3.87Å; M485-F532 HydrophobicContact CE-CD2 3.79Å; M485-F532 HydrophobicContact CE-CE1 4.13Å; M485-F532 HydrophobicContact CE-CE2 4.04Å; M485-F532 HydrophobicContact CE-CG 3.69Å; M485-F532 HydrophobicContact CE-CZ 4.21Å; M485-I537 HydrophobicContact CB-CG1 4.38Å; M485-I537 HydrophobicContact CB-CG2 3.78Å; M485-I537 HydrophobicContact CE-CD1 4.17Å; M485-I537 HydrophobicContact CE-CG1 3.8Å
486	F	83.9	Confident	80.5	Confident	23 Å²	23	71.5 Å²	71.5	10%	0.101	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	145.7	174.6	175.4	-96.8	0	0	0	109.6	W488 I517 V521 K527 L528 M541	F486-W488 AromaticContact CE1-CD2 3.91Å; F486-W488 HydrophobicContact CE1-CD2 3.91Å; F486-W488 AromaticContact CE1-CE2 3.7Å; F486-W488 HydrophobicContact CE1-CG 4.17Å; F486-W488 HydrophobicContact CE1-CZ2 4.16Å; F486-W488 AromaticContact CE1-NE1 3.77Å; F486-W488 HydrophobicContact CZ-CD2 4.25Å; F486-W488 HydrophobicContact CZ-CE3 4.39Å; F486-W488 HydrophobicContact CZ-CZ2 4.48Å; F486-I517 HydrophobicContact CD2-CG2 4.17Å; F486-I517 HydrophobicContact CE1-CD1 4.35Å; F486-I517 HydrophobicContact CE2-CG2 3.88Å; F486-I517 HydrophobicContact CZ-CD1 4.17Å; F486-I517 HydrophobicContact CZ-CG2 4.43Å; F486-V521 HydrophobicContact CE2-CG2 3.94Å; F486-K527 CarbonylContact C-O 3.57Å; F486-K527 WeakPolarHBondContact CA-O 3.44Å; F486-K527 WeakPolarHBondContact CD2-O 3.49Å; F486-L528 HydrophobicContact CB-CD2 4.24Å; F486-L528 HydrophobicContact CD2-CD2 3.79Å; F486-L528 HydrophobicContact CD2-CG 4.03Å; F486-L528 HydrophobicContact CG-CD2 4.46Å; F486-M541 HydrophobicContact CB-CE 3.88Å; F486-M541 HydrophobicContact CB-SD 3.52Å; F486-M541 VanDerWaalsContact CB-SD 3.52Å; F486-M541 HydrophobicContact CD1-CE 3.78Å; F486-M541 HydrophobicContact CD2-CE 4.49Å; F486-M541 HydrophobicContact CE1-CE 4.42Å; F486-M541 HydrophobicContact CG-CE 3.81Å; F486-M541 HydrophobicContact CG-SD 4.05Å
487	I	83.9	Confident	80.1	Confident	42 Å²	42	71.5 Å²	71.5	22%	0.215	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.4	167.3	67.7	176.1	0	0	0	111.7	L480 P481 Y484 G526 K527	L480-I487 HydrophobicContact CD1-CG2 4.39Å; L480-I487 HydrophobicContact CD2-CD1 3.74Å; L480-I487 HydrophobicContact CD2-CG1 3.71Å; L480-I487 HydrophobicContact CD2-CG2 4.34Å; P481-I487 HydrophobicContact CG-CG2 4.41Å; Y484-I487 HydrophobicContact CD1-CG2 4.02Å; Y484-I487 HydrophobicContact CG-CG2 4.12Å; I487-G526 CarbonylContact O-C 3.51Å; I487-G526 WeakPolarHBondContact O-CA 3.33Å; I487-K527 HydrophobicContact CG1-CB 4.09Å; I487-K527 PolarHBondContact N-O 3.16Å; I487-K527 PolarHBondContact O-N 2.87Å
488	W	83.3	Confident	79.8	Confident	75 Å²	75	75.6 Å²	75.6	28%	0.284	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.2	164.1	-64.5	101.5	0	0	0	110.5	F486 V492 L496 Y516 Q520	F486-W488 AromaticContact CE1-CD2 3.91Å; F486-W488 HydrophobicContact CE1-CD2 3.91Å; F486-W488 AromaticContact CE1-CE2 3.7Å; F486-W488 HydrophobicContact CE1-CG 4.17Å; F486-W488 HydrophobicContact CE1-CZ2 4.16Å; F486-W488 AromaticContact CE1-NE1 3.77Å; F486-W488 HydrophobicContact CZ-CD2 4.25Å; F486-W488 HydrophobicContact CZ-CE3 4.39Å; F486-W488 HydrophobicContact CZ-CZ2 4.48Å; W488-V492 HydrophobicContact CB-CG2 4.22Å; W488-V492 VanDerWaalsContact CD1-CG2 3.48Å; W488-V492 HydrophobicContact CD2-CG2 4Å; W488-V492 HydrophobicContact CG-CG2 3.66Å; W488-V492 HydrophobicContact CZ2-CG1 4.33Å; W488-L496 HydrophobicContact CH2-CD1 4.15Å; W488-L496 HydrophobicContact CZ2-CD1 4.13Å; W488-L496 HydrophobicContact CZ2-CD2 4.29Å; W488-Y516 AromaticContact CH2-CE1 3.94Å; W488-Y516 HydrophobicContact CH2-CE1 3.94Å; W488-Q520 HydrophobicContact CH2-CB 4.34Å; W488-Q520 HydrophobicContact CH2-CG 3.76Å; W488-Q520 HydrophobicContact CZ3-CB 3.92Å; W488-Q520 HydrophobicContact CZ3-CG 3.67Å
489	N	80.9	Confident	79.7	Confident	90 Å²	90	77 Å²	77	48%	0.481	42%	0.423	S	S	.	.	S	Bend	trans	-95	6.4	176.8	-60	-33.8	0	0	0	112.5	G524 K525 G526	N489-G524 PolarHBondContact ND2-O 3.2Å; N489-K525 PolarHBondContact N-O 2.92Å; N489-G526 PolarHBondContact ND2-O 2.88Å
490	G	76.4	Confident	79.9	Confident	50 Å²	50	76.4 Å²	76.4	52%	0.515	42%	0.417	S	S	.	.	S	Bend	trans	-164.1	-170.2	-178	0	0	0	0	0	111.5
491	E	73.5	Confident	80.2	Confident	201 Å²	201	76.2 Å²	76.2	94%	0.939	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-65	135.3	178.1	-66.4	-178.9	176.7	0	0	111.6
492	V	77.6	Confident	80.3	Confident	67 Å²	67	78.1 Å²	78.1	41%	0.406	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-77.4	137.1	175.3	-173.7	0	0	0	0	108.7	W488 L496	W488-V492 HydrophobicContact CB-CG2 4.22Å; W488-V492 VanDerWaalsContact CD1-CG2 3.48Å; W488-V492 HydrophobicContact CD2-CG2 4Å; W488-V492 HydrophobicContact CG-CG2 3.66Å; W488-V492 HydrophobicContact CZ2-CG1 4.33Å; V492-L496 HydrophobicContact CG1-CB 4.44Å; V492-L496 HydrophobicContact CG1-CD2 3.7Å; V492-L496 HydrophobicContact CG1-CG 4.48Å
493	S	78.6	Confident	81	Confident	31 Å²	31	76.3 Å²	76.3	22%	0.217	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-59.9	134	178.1	-175.3	0	0	0	0	111.3	N495 L496 E499	S493-N495 PolarHBondContact O-N 3.21Å; S493-N495 PolarHBondContact OG-N 3.27Å; S493-L496 WeakPolarHBondContact O-CB 3.38Å; S493-L496 PolarHBondContact O-N 3.16Å; S493-E499 WeakPolarHBondContact CB-OE1 3Å; S493-E499 PolarHBondContact OG-OE1 3.46Å
494	P	76.2	Confident	81.7	Confident	128 Å²	128	75.3 Å²	75.3	83%	0.831	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.9	173.9	27.8	-34.7	0	0	0	112.3
495	N	81.8	Confident	82.2	Confident	76 Å²	76	72 Å²	72	41%	0.406	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	26.4	-179.3	-66.1	43.9	0	0	0	111.2	S493 F497 E498 E499	S493-N495 PolarHBondContact O-N 3.21Å; S493-N495 PolarHBondContact OG-N 3.27Å; N495-F497 PolarHBondContact O-N 2.94Å; N495-E498 HydrophobicContact CB-CB 4.36Å; N495-E498 HydrophobicContact CB-CG 4.48Å; N495-E498 PolarHBondContact ND2-OE2 3.23Å; N495-E498 WeakPolarHBondContact O-CA 3.24Å; N495-E498 WeakPolarHBondContact O-CB 3.16Å; N495-E498 PolarHBondContact O-N 3.25Å; N495-E499 PolarHBondContact O-N 3.38Å
496	L	84.3	Confident	82.5	Confident	26 Å²	26	69.6 Å²	69.6	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-48.9	-34.9	-173.4	177.6	63.2	0	0	0	114.5	W488 V492 S493 E499 I500 Y516 F558	W488-L496 HydrophobicContact CH2-CD1 4.15Å; W488-L496 HydrophobicContact CZ2-CD1 4.13Å; W488-L496 HydrophobicContact CZ2-CD2 4.29Å; V492-L496 HydrophobicContact CG1-CB 4.44Å; V492-L496 HydrophobicContact CG1-CD2 3.7Å; V492-L496 HydrophobicContact CG1-CG 4.48Å; S493-L496 WeakPolarHBondContact O-CB 3.38Å; S493-L496 PolarHBondContact O-N 3.16Å; L496-E499 PolarHBondContact O-N 2.86Å; L496-I500 HydrophobicContact CD1-CD1 4.07Å; L496-I500 HydrophobicContact CD1-CG1 4.49Å; L496-I500 HydrophobicContact CG-CD1 4.09Å; L496-I500 WeakPolarHBondContact O-CD1 3.16Å; L496-I500 VanDerWaalsContact O-CG1 3.29Å; L496-I500 WeakPolarHBondContact O-CG1 3.2Å; L496-I500 PolarHBondContact O-N 3.35Å; L496-Y516 HydrophobicContact CD1-CE1 3.42Å; L496-Y516 VanDerWaalsContact CD1-CE1 3.42Å; L496-Y516 WeakPolarHBondContact CD1-OH 3.48Å; L496-F558 HydrophobicContact CB-CE1 4.1Å; L496-F558 HydrophobicContact CD2-CE1 3.68Å; L496-F558 HydrophobicContact CD2-CZ 3.64Å; L496-F558 HydrophobicContact CG-CE1 3.75Å; L496-F558 HydrophobicContact CG-CZ 3.69Å
497	F	85.4	Confident	82.7	Confident	28 Å²	28	72.1 Å²	72.1	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-65.3	-47.5	175.3	-173.3	-88.4	0	0	0	112.1	N495 E499 I500 D501 G506 V508 V553 T554 A555 F558	N495-F497 PolarHBondContact O-N 2.94Å; F497-E499 PolarHBondContact O-N 3.45Å; F497-I500 PolarHBondContact O-N 3.44Å; F497-D501 HydrophobicContact CD1-CB 4.32Å; F497-D501 HydrophobicContact CE1-CB 3.94Å; F497-D501 PolarHBondContact O-N 2.89Å; F497-G506 WeakPolarHBondContact CZ-O 3.34Å; F497-V508 HydrophobicContact CD2-CG2 4.14Å; F497-V508 HydrophobicContact CE2-CB 4.33Å; F497-V508 HydrophobicContact CE2-CG2 3.62Å; F497-V508 HydrophobicContact CZ-CG2 3.84Å; F497-V553 WeakPolarHBondContact CE2-O 3.46Å; F497-T554 VanDerWaalsContact CE2-C 3.46Å; F497-A555 HydrophobicContact CD1-CB 3.95Å; F497-A555 HydrophobicContact CD2-CB 4.28Å; F497-A555 HydrophobicContact CE1-CB 3.8Å; F497-A555 HydrophobicContact CE2-CB 4.12Å; F497-A555 VanDerWaalsContact CE2-N 3.33Å; F497-A555 HydrophobicContact CG-CB 4.2Å; F497-A555 HydrophobicContact CZ-CB 3.89Å; F497-F558 HydrophobicContact CB-CD1 4.16Å; F497-F558 HydrophobicContact CB-CE1 4.41Å; F497-F558 HydrophobicContact CB-CG 4.49Å; F497-F558 HydrophobicContact CD2-CB 3.85Å; F497-F558 HydrophobicContact CD2-CD1 4.27Å; F497-F558 AromaticContact CD2-CD2 3.93Å; F497-F558 HydrophobicContact CD2-CD2 3.93Å; F497-F558 AromaticContact CD2-CG 3.76Å; F497-F558 HydrophobicContact CD2-CG 3.76Å; F497-F558 HydrophobicContact CE2-CB 4.44Å
498	E	85	Confident	83	Confident	138 Å²	138	70.1 Å²	70.1	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-66.8	-16.5	177.9	-53.2	177	172.9	0	0	113	N495	N495-E498 HydrophobicContact CB-CB 4.36Å; N495-E498 HydrophobicContact CB-CG 4.48Å; N495-E498 PolarHBondContact ND2-OE2 3.23Å; N495-E498 WeakPolarHBondContact O-CA 3.24Å; N495-E498 WeakPolarHBondContact O-CB 3.16Å; N495-E498 PolarHBondContact O-N 3.25Å
499	E	84.6	Confident	83.3	Confident	78 Å²	78	69.7 Å²	69.7	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-87	-15.3	172.6	-65.4	-171.2	-161.1	0	0	113.4	S493 N495 L496 F497 Y516	S493-E499 WeakPolarHBondContact CB-OE1 3Å; S493-E499 PolarHBondContact OG-OE1 3.46Å; N495-E499 PolarHBondContact O-N 3.38Å; L496-E499 PolarHBondContact O-N 2.86Å; F497-E499 PolarHBondContact O-N 3.45Å; E499-Y516 HydrophobicContact CB-CE2 3.67Å; E499-Y516 VanDerWaalsContact O-CD2 3.3Å; E499-Y516 WeakPolarHBondContact O-CD2 3.34Å; E499-Y516 PolarHBondContact OE2-OH 3.37Å; E499-Y516 VanDerWaalsContact OE2-OH 3.08Å
500	I	88.1	Confident	83.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-99.4	-44.5	178.1	-57.9	160.7	0	0	0	110.7	L496 F497 K502 V508 E512 F513 Y516 F558	L496-I500 HydrophobicContact CD1-CD1 4.07Å; L496-I500 HydrophobicContact CD1-CG1 4.49Å; L496-I500 HydrophobicContact CG-CD1 4.09Å; L496-I500 WeakPolarHBondContact O-CD1 3.16Å; L496-I500 VanDerWaalsContact O-CG1 3.29Å; L496-I500 WeakPolarHBondContact O-CG1 3.2Å; L496-I500 PolarHBondContact O-N 3.35Å; F497-I500 PolarHBondContact O-N 3.44Å; I500-K502 PolarHBondContact O-N 3.22Å; I500-V508 HydrophobicContact CB-CG2 4.05Å; I500-V508 HydrophobicContact CG2-CB 4.31Å; I500-V508 HydrophobicContact CG2-CG1 3.48Å; I500-V508 VanDerWaalsContact CG2-CG1 3.48Å; I500-V508 HydrophobicContact CG2-CG2 3.8Å; I500-E512 HydrophobicContact CG2-CB 4.29Å; I500-F513 HydrophobicContact CD1-CD2 4.33Å; I500-F513 HydrophobicContact CG2-CB 4.42Å; I500-Y516 HydrophobicContact CB-CG 4.48Å; I500-Y516 HydrophobicContact CD1-CD1 4.07Å; I500-Y516 HydrophobicContact CD1-CE1 4.24Å; I500-Y516 HydrophobicContact CG1-CD1 3.53Å; I500-Y516 HydrophobicContact CG1-CD2 3.99Å; I500-Y516 HydrophobicContact CG1-CE1 3.87Å; I500-Y516 HydrophobicContact CG1-CE2 4.33Å; I500-Y516 HydrophobicContact CG1-CG 3.58Å; I500-F558 HydrophobicContact CD1-CE2 3.89Å; I500-F558 HydrophobicContact CD1-CZ 3.7Å
501	D	87.9	Confident	84.3	Confident	20 Å²	20	71.6 Å²	71.6	11%	0.107	39%	0.389	C	S	.	.			trans	-68.5	86.7	172	178.5	3.6	0	0	0	109.8	F497 G504 N505 G506 V508	F497-D501 HydrophobicContact CD1-CB 4.32Å; F497-D501 HydrophobicContact CE1-CB 3.94Å; F497-D501 PolarHBondContact O-N 2.89Å; D501-G504 WeakPolarHBondContact OD1-CA 3.02Å; D501-G504 PolarHBondContact OD1-N 2.99Å; D501-N505 PolarHBondContact OD1-N 2.83Å; D501-G506 VanDerWaalsContact OD2-CA 3.29Å; D501-G506 WeakPolarHBondContact OD2-CA 3.31Å; D501-G506 PolarHBondContact OD2-N 2.99Å; D501-V508 HydrophobicContact CB-CG2 4.08Å
502	K	80.2	Confident	85.1	Confident	111 Å²	111	63.3 Å²	63.3	48%	0.483	35%	0.35	S	S	.	.	S	Bend	trans	-82.5	-27.6	-169.9	-77.1	169.4	-174.1	153.5	0	113.6	I500 E512 E515	I500-K502 PolarHBondContact O-N 3.22Å; K502-E512 PolarHBondContact N-OE1 2.91Å; K502-E515 IonicContact NZ-OE2 2.65Å; K502-E515 PolarHBondContact NZ-OE2 2.95Å
503	D	85	Confident	85.6	Confident	116 Å²	116	60.7 Å²	60.7	62%	0.62	33%	0.333	S	S	*	.	S	Bend	trans	-93.5	-12.1	177.8	78.8	-7.7	0	0	0	112.9	N505	D503-N505 WeakPolarHBondContact OD1-CB 3.31Å; D503-N505 VanDerWaalsContact OD1-CG 3.29Å; D503-N505 PolarHBondContact OD1-N 3.15Å; D503-N505 VanDerWaalsContact OD1-N 3.1Å; D503-N505 PolarHBondContact OD1-ND2 3.15Å; D503-N505 PolarHBondContact OD2-ND2 2.88Å
504	G	84.4	Confident	86.2	Confident	60 Å²	60	60 Å²	60	62%	0.619	33%	0.328	S	S	*	.			trans	80.5	27.1	175.8	0	0	0	0	0	113.2	D501	D501-G504 WeakPolarHBondContact OD1-CA 3.02Å; D501-G504 PolarHBondContact OD1-N 2.99Å
505	N	86.7	Confident	86.9	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.374	32%	0.316	S	S	.	.			trans	-81.2	-19.9	-176.1	81.7	62.1	0	0	0	113.7	D501 D503 E507	D501-N505 PolarHBondContact OD1-N 2.83Å; D503-N505 WeakPolarHBondContact OD1-CB 3.31Å; D503-N505 VanDerWaalsContact OD1-CG 3.29Å; D503-N505 PolarHBondContact OD1-N 3.15Å; D503-N505 VanDerWaalsContact OD1-N 3.1Å; D503-N505 PolarHBondContact OD1-ND2 3.15Å; D503-N505 PolarHBondContact OD2-ND2 2.88Å; N505-E507 PolarHBondContact ND2-O 3.19Å; N505-E507 WeakPolarHBondContact OD1-CA 3.02Å; N505-E507 WeakPolarHBondContact OD1-CB 3.32Å; N505-E507 WeakPolarHBondContact OD1-CG 3.28Å; N505-E507 PolarHBondContact OD1-N 2.88Å; N505-E507 PolarHBondContact OD1-O 3.07Å
506	G	84.5	Confident	87.3	Confident	30 Å²	30	56.9 Å²	56.9	31%	0.309	30%	0.299	S	S	.	.	S	Bend	trans	93.2	-0	-179.2	0	0	0	0	0	115.8	F497 D501	F497-G506 WeakPolarHBondContact CZ-O 3.34Å; D501-G506 VanDerWaalsContact OD2-CA 3.29Å; D501-G506 WeakPolarHBondContact OD2-CA 3.31Å; D501-G506 PolarHBondContact OD2-N 2.99Å
507	E	88.1	Confident	87.5	Confident	76 Å²	76	55.9 Å²	55.9	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.8	-180	-41.5	175.2	120.5	0	0	109.7	N505 K552	N505-E507 PolarHBondContact ND2-O 3.19Å; N505-E507 WeakPolarHBondContact OD1-CA 3.02Å; N505-E507 WeakPolarHBondContact OD1-CB 3.32Å; N505-E507 WeakPolarHBondContact OD1-CG 3.28Å; N505-E507 PolarHBondContact OD1-N 2.88Å; N505-E507 PolarHBondContact OD1-O 3.07Å; E507-K552 HydrophobicContact CB-CB 4.39Å; E507-K552 HydrophobicContact CB-CD 3.79Å; E507-K552 VanDerWaalsContact CD-CD 3.47Å; E507-K552 HydrophobicContact CG-CD 4.13Å; E507-K552 WeakPolarHBondContact OE1-CD 3.08Å; E507-K552 IonicContact OE1-NZ 2.71Å; E507-K552 PolarHBondContact OE1-NZ 2.84Å; E507-K552 IonicContact OE2-NZ 3.54Å; E507-K552 PolarHBondContact OE2-NZ 3.47Å
508	V	89.6	Confident	87.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.9	176.1	164.1	0	0	0	0	110.3	F497 I500 D501 F513 F542 V553	F497-V508 HydrophobicContact CD2-CG2 4.14Å; F497-V508 HydrophobicContact CE2-CB 4.33Å; F497-V508 HydrophobicContact CE2-CG2 3.62Å; F497-V508 HydrophobicContact CZ-CG2 3.84Å; I500-V508 HydrophobicContact CB-CG2 4.05Å; I500-V508 HydrophobicContact CG2-CB 4.31Å; I500-V508 HydrophobicContact CG2-CG1 3.48Å; I500-V508 VanDerWaalsContact CG2-CG1 3.48Å; I500-V508 HydrophobicContact CG2-CG2 3.8Å; D501-V508 HydrophobicContact CB-CG2 4.08Å; V508-F513 HydrophobicContact CG1-CB 3.96Å; V508-F513 HydrophobicContact CG1-CD2 4.4Å; V508-F542 HydrophobicContact CG1-CE2 4.43Å; V508-V553 HydrophobicContact CB-CB 4.32Å; V508-V553 PolarHBondContact N-O 3.46Å; V508-V553 PolarHBondContact O-N 3.33Å
509	L	91.4	Very high	87.9	Confident	65 Å²	65	53.2 Å²	53.2	34%	0.34	29%	0.291	S	S	.	.			trans	-90.8	162.7	173.5	-61	-179.3	0	0	0	112.9	E511 E512 F513 F542 K552	L509-E511 VanDerWaalsContact C-N 3.26Å; L509-E511 PolarHBondContact O-N 2.66Å; L509-E512 HydrophobicContact CB-CG 4.47Å; L509-E512 PolarHBondContact N-OE2 2.97Å; L509-E512 PolarHBondContact O-N 2.92Å; L509-F513 WeakPolarHBondContact O-CB 3.37Å; L509-F513 PolarHBondContact O-N 3.32Å; L509-F542 VanDerWaalsContact C-CE2 3.43Å; L509-K552 HydrophobicContact CD2-CD 4.25Å; L509-K552 HydrophobicContact CD2-CG 3.93Å
510	L	88.8	Confident	88.1	Confident	49 Å²	49	50.1 Å²	50.1	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-38.6	178.7	174	61.3	0	0	0	111.7	S514 K539 F542	L510-S514 VanDerWaalsContact O-CB 3.26Å; L510-S514 WeakPolarHBondContact O-CB 3.27Å; L510-S514 PolarHBondContact O-N 2.87Å; L510-K539 HydrophobicContact CD1-CB 4.31Å; L510-K539 HydrophobicContact CD1-CG 4.44Å; L510-K539 HydrophobicContact CD2-CG 4.34Å; L510-F542 HydrophobicContact CB-CD1 4.13Å; L510-F542 HydrophobicContact CB-CD2 4.3Å; L510-F542 HydrophobicContact CB-CE1 4.07Å; L510-F542 HydrophobicContact CB-CE2 4.23Å; L510-F542 HydrophobicContact CB-CG 4.25Å; L510-F542 HydrophobicContact CB-CZ 4.1Å; L510-F542 HydrophobicContact CD1-CB 3.64Å; L510-F542 HydrophobicContact CD1-CD1 3.97Å; L510-F542 HydrophobicContact CD1-CD2 4.25Å; L510-F542 HydrophobicContact CD1-CG 3.68Å; L510-F542 VanDerWaalsContact N-CE2 3.34Å
511	E	89.3	Confident	88.1	Confident	132 Å²	132	52.4 Å²	52.4	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-45.2	177.3	-69.4	73.4	-167.3	0	0	111.6	L509 S514 E515	L509-E511 VanDerWaalsContact C-N 3.26Å; L509-E511 PolarHBondContact O-N 2.66Å; E511-S514 PolarHBondContact O-N 2.99Å; E511-E515 PolarHBondContact O-N 3.21Å
512	E	89.2	Confident	88.1	Confident	27 Å²	27	55.9 Å²	55.9	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.9	-63.2	178.2	108	0	0	111.8	I500 K502 L509 S514 E515 Y516	I500-E512 HydrophobicContact CG2-CB 4.29Å; K502-E512 PolarHBondContact N-OE1 2.91Å; L509-E512 HydrophobicContact CB-CG 4.47Å; L509-E512 PolarHBondContact N-OE2 2.97Å; L509-E512 PolarHBondContact O-N 2.92Å; E512-S514 VanDerWaalsContact C-N 3.3Å; E512-S514 PolarHBondContact O-N 2.8Å; E512-E515 PolarHBondContact O-N 3.06Å; E512-Y516 VanDerWaalsContact O-CB 3.3Å; E512-Y516 WeakPolarHBondContact O-CB 3.4Å; E512-Y516 PolarHBondContact O-N 3.46Å
513	F	89.4	Confident	88.4	Confident	12 Å²	12	54 Å²	54	5%	0.053	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-41.6	173.5	-172.5	-92.9	0	0	0	111.1	I500 V508 L509 I517 V538 M541 F542	I500-F513 HydrophobicContact CD1-CD2 4.33Å; I500-F513 HydrophobicContact CG2-CB 4.42Å; V508-F513 HydrophobicContact CG1-CB 3.96Å; V508-F513 HydrophobicContact CG1-CD2 4.4Å; L509-F513 WeakPolarHBondContact O-CB 3.37Å; L509-F513 PolarHBondContact O-N 3.32Å; F513-I517 HydrophobicContact CD1-CG1 4.17Å; F513-I517 HydrophobicContact CE1-CG1 3.87Å; F513-I517 HydrophobicContact CZ-CD1 4.38Å; F513-I517 HydrophobicContact CZ-CG1 4.09Å; F513-I517 WeakPolarHBondContact O-CG1 3.45Å; F513-I517 PolarHBondContact O-N 2.98Å; F513-V538 HydrophobicContact CD1-CG1 4.09Å; F513-V538 HydrophobicContact CE1-CG1 4.44Å; F513-M541 HydrophobicContact CE1-CB 3.76Å; F513-M541 HydrophobicContact CE1-CE 4.37Å; F513-M541 HydrophobicContact CZ-CB 3.98Å; F513-M541 HydrophobicContact CZ-CE 4.19Å; F513-F542 HydrophobicContact CB-CD2 3.78Å; F513-F542 HydrophobicContact CB-CE2 4.37Å; F513-F542 HydrophobicContact CD1-CB 3.89Å; F513-F542 HydrophobicContact CD1-CD2 4.18Å; F513-F542 HydrophobicContact CD2-CD2 4.45Å; F513-F542 HydrophobicContact CE1-CB 4.14Å; F513-F542 HydrophobicContact CG-CB 4.45Å; F513-F542 AromaticContact CG-CD2 3.9Å; F513-F542 HydrophobicContact CG-CD2 3.9Å
514	S	90.4	Very high	88.3	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.112	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-53.8	175.8	-174.7	0	0	0	0	112.1	L510 E511 E512 Y516 I517 H518 E535	L510-S514 VanDerWaalsContact O-CB 3.26Å; L510-S514 WeakPolarHBondContact O-CB 3.27Å; L510-S514 PolarHBondContact O-N 2.87Å; E511-S514 PolarHBondContact O-N 2.99Å; E512-S514 VanDerWaalsContact C-N 3.3Å; E512-S514 PolarHBondContact O-N 2.8Å; S514-Y516 PolarHBondContact O-N 2.69Å; S514-Y516 VanDerWaalsContact O-N 3.16Å; S514-I517 PolarHBondContact O-N 2.81Å; S514-H518 WeakPolarHBondContact O-CB 3.33Å; S514-H518 PolarHBondContact O-CD2 3.34Å; S514-H518 VanDerWaalsContact O-CD2 3.27Å; S514-H518 PolarHBondContact O-N 3.09Å; S514-H518 PolarHBondContact OG-CD2 2.93Å; S514-E535 PolarHBondContact OG-OE2 3.08Å
515	E	90.1	Very high	88.3	Confident	125 Å²	125	53.5 Å²	53.5	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-51.9	-42.7	176.3	-80.2	-163.9	171.7	0	0	111.6	K502 E511 E512 A519	K502-E515 IonicContact NZ-OE2 2.65Å; K502-E515 PolarHBondContact NZ-OE2 2.95Å; E511-E515 PolarHBondContact O-N 3.21Å; E512-E515 PolarHBondContact O-N 3.06Å; E515-A519 VanDerWaalsContact O-CB 3.27Å; E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.74Å
516	Y	90.1	Very high	88.2	Confident	13 Å²	13	50.3 Å²	50.3	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-53.2	179.4	-176.9	-92.7	0	0	0	112	W488 L496 E499 I500 E512 S514 H518 A519 Q520	W488-Y516 AromaticContact CH2-CE1 3.94Å; W488-Y516 HydrophobicContact CH2-CE1 3.94Å; L496-Y516 HydrophobicContact CD1-CE1 3.42Å; L496-Y516 VanDerWaalsContact CD1-CE1 3.42Å; L496-Y516 WeakPolarHBondContact CD1-OH 3.48Å; E499-Y516 HydrophobicContact CB-CE2 3.67Å; E499-Y516 VanDerWaalsContact O-CD2 3.3Å; E499-Y516 WeakPolarHBondContact O-CD2 3.34Å; E499-Y516 PolarHBondContact OE2-OH 3.37Å; E499-Y516 VanDerWaalsContact OE2-OH 3.08Å; I500-Y516 HydrophobicContact CB-CG 4.48Å; I500-Y516 HydrophobicContact CD1-CD1 4.07Å; I500-Y516 HydrophobicContact CD1-CE1 4.24Å; I500-Y516 HydrophobicContact CG1-CD1 3.53Å; I500-Y516 HydrophobicContact CG1-CD2 3.99Å; I500-Y516 HydrophobicContact CG1-CE1 3.87Å; I500-Y516 HydrophobicContact CG1-CE2 4.33Å; I500-Y516 HydrophobicContact CG1-CG 3.58Å; E512-Y516 VanDerWaalsContact O-CB 3.3Å; E512-Y516 WeakPolarHBondContact O-CB 3.4Å; E512-Y516 PolarHBondContact O-N 3.46Å; S514-Y516 PolarHBondContact O-N 2.69Å; S514-Y516 VanDerWaalsContact O-N 3.16Å; Y516-H518 VanDerWaalsContact C-N 3.3Å; Y516-H518 PolarHBondContact O-N 2.93Å; Y516-A519 WeakPolarHBondContact O-CB 3.3Å; Y516-A519 PolarHBondContact O-N 2.62Å; Y516-Q520 HydrophobicContact CD1-CG 4.01Å; Y516-Q520 HydrophobicContact CE1-CG 3.65Å; Y516-Q520 HydrophobicContact CE2-CG 4.47Å; Y516-Q520 WeakPolarHBondContact O-CG 3.33Å; Y516-Q520 PolarHBondContact O-N 2.94Å; Y516-Q520 PolarHBondContact OH-NE2 3.46Å; Y516-Q520 VanDerWaalsContact OH-NE2 3.16Å
517	I	89.1	Confident	88.3	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-41.7	179.3	-66.1	-64.2	0	0	0	111.1	F486 F513 S514 A519 Q520 V521 L528 V538 M541	F486-I517 HydrophobicContact CD2-CG2 4.17Å; F486-I517 HydrophobicContact CE1-CD1 4.35Å; F486-I517 HydrophobicContact CE2-CG2 3.88Å; F486-I517 HydrophobicContact CZ-CD1 4.17Å; F486-I517 HydrophobicContact CZ-CG2 4.43Å; F513-I517 HydrophobicContact CD1-CG1 4.17Å; F513-I517 HydrophobicContact CE1-CG1 3.87Å; F513-I517 HydrophobicContact CZ-CD1 4.38Å; F513-I517 HydrophobicContact CZ-CG1 4.09Å; F513-I517 WeakPolarHBondContact O-CG1 3.45Å; F513-I517 PolarHBondContact O-N 2.98Å; S514-I517 PolarHBondContact O-N 2.81Å; I517-A519 PolarHBondContact O-N 3.34Å; I517-Q520 PolarHBondContact O-N 2.93Å; I517-V521 WeakPolarHBondContact O-CG2 3.42Å; I517-V521 PolarHBondContact O-N 2.98Å; I517-L528 HydrophobicContact CG2-CD2 4.39Å; I517-V538 HydrophobicContact CB-CG2 4.22Å; I517-V538 HydrophobicContact CG2-CG2 3.78Å; I517-M541 HydrophobicContact CD1-CE 3.85Å; I517-M541 HydrophobicContact CG1-CE 4.2Å; I517-M541 HydrophobicContact CG2-CE 4.49Å
518	H	89.9	Confident	88.2	Confident	57 Å²	57	48.9 Å²	48.9	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-37.5	174.8	-80.8	-99.6	0	0	0	112.5	S514 Y516 V521 A522 E535	S514-H518 WeakPolarHBondContact O-CB 3.33Å; S514-H518 PolarHBondContact O-CD2 3.34Å; S514-H518 VanDerWaalsContact O-CD2 3.27Å; S514-H518 PolarHBondContact O-N 3.09Å; S514-H518 PolarHBondContact OG-CD2 2.93Å; Y516-H518 VanDerWaalsContact C-N 3.3Å; Y516-H518 PolarHBondContact O-N 2.93Å; H518-V521 PolarHBondContact O-N 2.84Å; H518-A522 VanDerWaalsContact O-CB 3.31Å; H518-A522 WeakPolarHBondContact O-CB 3.22Å; H518-A522 PolarHBondContact O-N 3.47Å; H518-E535 IonicContact CE1-OE1 2.69Å; H518-E535 IonicContact NE2-OE1 2.74Å
519	A	88.9	Confident	87.9	Confident	52 Å²	52	49.3 Å²	49.3	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-35.8	172.9	0	0	0	0	0	112.9	E515 Y516 I517 S523	E515-A519 VanDerWaalsContact O-CB 3.27Å; E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.74Å; Y516-A519 WeakPolarHBondContact O-CB 3.3Å; Y516-A519 PolarHBondContact O-N 2.62Å; I517-A519 PolarHBondContact O-N 3.34Å; A519-S523 WeakPolarHBondContact O-CB 3.38Å; A519-S523 PolarHBondContact O-N 3.48Å; A519-S523 PolarHBondContact O-OG 3.1Å
520	Q	89.1	Confident	87.4	Confident	13 Å²	13	47.5 Å²	47.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-37.6	174.5	-58.7	-57.8	-34	0	0	111.7	W488 Y516 I517 S523 G524 K525 G526	W488-Q520 HydrophobicContact CH2-CB 4.34Å; W488-Q520 HydrophobicContact CH2-CG 3.76Å; W488-Q520 HydrophobicContact CZ3-CB 3.92Å; W488-Q520 HydrophobicContact CZ3-CG 3.67Å; Y516-Q520 HydrophobicContact CD1-CG 4.01Å; Y516-Q520 HydrophobicContact CE1-CG 3.65Å; Y516-Q520 HydrophobicContact CE2-CG 4.47Å; Y516-Q520 WeakPolarHBondContact O-CG 3.33Å; Y516-Q520 PolarHBondContact O-N 2.94Å; Y516-Q520 PolarHBondContact OH-NE2 3.46Å; Y516-Q520 VanDerWaalsContact OH-NE2 3.16Å; I517-Q520 PolarHBondContact O-N 2.93Å; Q520-S523 WeakPolarHBondContact CA-OG 3.16Å; Q520-S523 PolarHBondContact O-OG 2.99Å; Q520-G524 PolarHBondContact O-N 2.89Å; Q520-K525 HydrophobicContact CB-CB 4.43Å; Q520-K525 PolarHBondContact O-N 2.78Å; Q520-G526 PolarHBondContact O-N 2.85Å
521	V	87.6	Confident	86.8	Confident	51 Å²	51	47.1 Å²	47.1	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-47.2	172.8	175.9	0	0	0	0	111.3	F486 I517 H518 S523 G524 L528	F486-V521 HydrophobicContact CE2-CG2 3.94Å; I517-V521 WeakPolarHBondContact O-CG2 3.42Å; I517-V521 PolarHBondContact O-N 2.98Å; H518-V521 PolarHBondContact O-N 2.84Å; V521-S523 VanDerWaalsContact C-N 3.27Å; V521-S523 PolarHBondContact O-N 2.72Å; V521-G524 PolarHBondContact O-N 3.27Å; V521-L528 HydrophobicContact CG2-CD1 3.98Å; V521-L528 HydrophobicContact CG2-CG 3.86Å
522	A	87.3	Confident	86.4	Confident	93 Å²	93	45.3 Å²	45.3	77%	0.769	27%	0.273	S	S	*	.	H	α-helix	trans	-64.2	-29.7	179.9	0	0	0	0	0	113.3	H518 G524	H518-A522 VanDerWaalsContact O-CB 3.31Å; H518-A522 WeakPolarHBondContact O-CB 3.22Å; H518-A522 PolarHBondContact O-N 3.47Å; A522-G524 VanDerWaalsContact C-N 3.34Å
523	S	87	Confident	86.1	Confident	72 Å²	72	48.7 Å²	48.7	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.5	173.1	59.4	0	0	0	0	114.2	A519 Q520 V521 K525	A519-S523 WeakPolarHBondContact O-CB 3.38Å; A519-S523 PolarHBondContact O-N 3.48Å; A519-S523 PolarHBondContact O-OG 3.1Å; Q520-S523 WeakPolarHBondContact CA-OG 3.16Å; Q520-S523 PolarHBondContact O-OG 2.99Å; V521-S523 VanDerWaalsContact C-N 3.27Å; V521-S523 PolarHBondContact O-N 2.72Å; S523-K525 PolarHBondContact O-N 3.37Å
524	G	84	Confident	85.9	Confident	45 Å²	45	49.8 Å²	49.8	46%	0.464	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	4.7	179.4	0	0	0	0	0	115.1	N489 Q520 V521 A522	N489-G524 PolarHBondContact ND2-O 3.2Å; Q520-G524 PolarHBondContact O-N 2.89Å; V521-G524 PolarHBondContact O-N 3.27Å; A522-G524 VanDerWaalsContact C-N 3.34Å
525	K	84.1	Confident	85.8	Confident	119 Å²	119	54.3 Å²	54.3	52%	0.517	32%	0.323	S	S	.	.	S	Bend	trans	-75.9	-29	176.6	-71.8	178.5	168.8	-172	0	113	N489 Q520 S523	N489-K525 PolarHBondContact N-O 2.92Å; Q520-K525 HydrophobicContact CB-CB 4.43Å; Q520-K525 PolarHBondContact O-N 2.78Å; S523-K525 PolarHBondContact O-N 3.37Å
526	G	84.6	Confident	85.5	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	167.7	174.1	0	0	0	0	0	112.1	I487 N489 Q520	I487-G526 CarbonylContact O-C 3.51Å; I487-G526 WeakPolarHBondContact O-CA 3.33Å; N489-G526 PolarHBondContact ND2-O 2.88Å; Q520-G526 PolarHBondContact O-N 2.85Å
527	K	86.3	Confident	85.3	Confident	55 Å²	55	52.5 Å²	52.5	24%	0.239	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	119.9	174.7	-174.3	-174.2	170.8	-166.7	0	110.6	A478 G479 L480 F486 I487	A478-K527 PolarHBondContact O-NZ 3.4Å; G479-K527 PolarHBondContact O-NZ 3.38Å; L480-K527 HydrophobicContact CD2-CB 4.29Å; L480-K527 HydrophobicContact CD2-CD 3.63Å; L480-K527 HydrophobicContact CD2-CG 3.9Å; F486-K527 CarbonylContact C-O 3.57Å; F486-K527 WeakPolarHBondContact CA-O 3.44Å; F486-K527 WeakPolarHBondContact CD2-O 3.49Å; I487-K527 HydrophobicContact CG1-CB 4.09Å; I487-K527 PolarHBondContact N-O 3.16Å; I487-K527 PolarHBondContact O-N 2.87Å
528	L	86.1	Confident	85.3	Confident	22 Å²	22	52.2 Å²	52.2	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	158.8	171	-70.4	163.6	0	0	0	111.3	M485 F486 I517 V521 P530 A534 I537 V538	M485-L528 CarbonylContact O-C 3.57Å; F486-L528 HydrophobicContact CB-CD2 4.24Å; F486-L528 HydrophobicContact CD2-CD2 3.79Å; F486-L528 HydrophobicContact CD2-CG 4.03Å; F486-L528 HydrophobicContact CG-CD2 4.46Å; I517-L528 HydrophobicContact CG2-CD2 4.39Å; V521-L528 HydrophobicContact CG2-CD1 3.98Å; V521-L528 HydrophobicContact CG2-CG 3.86Å; L528-P530 WeakPolarHBondContact O-CD 3.4Å; L528-A534 HydrophobicContact CD1-CB 3.85Å; L528-I537 HydrophobicContact CB-CD1 4.2Å; L528-I537 HydrophobicContact CD2-CB 3.96Å; L528-I537 HydrophobicContact CD2-CD1 4.12Å; L528-I537 HydrophobicContact CD2-CG2 3.44Å; L528-I537 VanDerWaalsContact CD2-CG2 3.44Å; L528-V538 HydrophobicContact CD2-CG2 4.28Å
529	A	83.1	Confident	85.2	Confident	9 Å²	9	54.8 Å²	54.8	7%	0.074	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.2	117.1	174.7	0	0	0	0	0	110.5	L480 M485 F532 I537	L480-A529 HydrophobicContact CD1-CB 3.95Å; L480-A529 HydrophobicContact CG-CB 4.39Å; M485-A529 HydrophobicContact CE-CB 4.13Å; M485-A529 PolarHBondContact O-N 3.13Å; M485-A529 HydrophobicContact SD-CB 4.41Å; A529-F532 HydrophobicContact CB-CD2 3.66Å; A529-F532 HydrophobicContact CB-CE2 4.1Å; A529-I537 HydrophobicContact CB-CD1 4.15Å
530	P	81.8	Confident	85.1	Confident	27 Å²	27	56.4 Å²	56.4	18%	0.175	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	144.2	-178.4	29	-34.5	0	0	0	110.9	Y391 V419 V477 L528	Y391-P530 HydrophobicContact CD1-CB 4.26Å; Y391-P530 HydrophobicContact CG-CB 4.01Å; V419-P530 WeakPolarHBondContact CG2-O 3.43Å; V477-P530 HydrophobicContact CB-CB 4.41Å; V477-P530 HydrophobicContact CG1-CB 4Å; V477-P530 HydrophobicContact CG1-CG 4.14Å; L528-P530 WeakPolarHBondContact O-CD 3.4Å
531	G	75.8	Confident	85	Confident	41 Å²	41	57.7 Å²	57.7	42%	0.423	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-4.9	179.3	0	0	0	0	0	116.2
532	F	79.6	Confident	85.1	Confident	94 Å²	94	55.6 Å²	55.6	41%	0.412	32%	0.321	S	S	.	.	S	Bend	trans	-102.9	163.6	171.7	-64.8	-85.7	0	0	0	111.3	V419 M485 A529 A534 I537	V419-F532 HydrophobicContact CB-CE2 4.47Å; V419-F532 HydrophobicContact CG2-CD2 4.28Å; V419-F532 HydrophobicContact CG2-CE2 3.78Å; V419-F532 HydrophobicContact CG2-CZ 4.34Å; M485-F532 HydrophobicContact CE-CB 4.21Å; M485-F532 HydrophobicContact CE-CD1 3.87Å; M485-F532 HydrophobicContact CE-CD2 3.79Å; M485-F532 HydrophobicContact CE-CE1 4.13Å; M485-F532 HydrophobicContact CE-CE2 4.04Å; M485-F532 HydrophobicContact CE-CG 3.69Å; M485-F532 HydrophobicContact CE-CZ 4.21Å; A529-F532 HydrophobicContact CB-CD2 3.66Å; A529-F532 HydrophobicContact CB-CE2 4.1Å; F532-A534 PolarHBondContact O-N 2.75Å; F532-I537 HydrophobicContact CB-CD1 3.83Å; F532-I537 HydrophobicContact CB-CG1 4.24Å
533	D	83.1	Confident	85.1	Confident	98 Å²	98	54.9 Å²	54.9	52%	0.524	31%	0.308	S	S	.	.			trans	-69.3	121	171.4	-175.2	-48.5	0	0	0	110	E535 L536 I537	D533-E535 PolarHBondContact OD1-N 2.69Å; D533-L536 HydrophobicContact CB-CB 3.86Å; D533-L536 PolarHBondContact O-N 2.74Å; D533-L536 PolarHBondContact OD1-N 3.48Å; D533-I537 WeakPolarHBondContact O-CG1 3.37Å; D533-I537 PolarHBondContact O-N 2.63Å
534	A	85.1	Confident	85	Confident	35 Å²	35	57.5 Å²	57.5	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-175.9	0	0	0	0	0	112.7	L528 F532 L536 I537 V538	L528-A534 HydrophobicContact CD1-CB 3.85Å; F532-A534 PolarHBondContact O-N 2.75Å; A534-L536 VanDerWaalsContact C-N 3.29Å; A534-L536 PolarHBondContact O-N 3.43Å; A534-I537 PolarHBondContact O-N 2.99Å; A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.31Å; A534-V538 WeakPolarHBondContact O-CG2 3.3Å; A534-V538 PolarHBondContact O-N 3.26Å
535	E	88.3	Confident	85.1	Confident	110 Å²	110	58 Å²	58	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-36.8	178.8	-58.1	-63.7	161	0	0	110.1	S514 H518 D533 V538 K539	S514-E535 PolarHBondContact OG-OE2 3.08Å; H518-E535 IonicContact CE1-OE1 2.69Å; H518-E535 IonicContact NE2-OE1 2.74Å; D533-E535 PolarHBondContact OD1-N 2.69Å; E535-V538 PolarHBondContact O-N 3.25Å; E535-K539 WeakPolarHBondContact O-CB 3.5Å; E535-K539 PolarHBondContact O-N 3.46Å
536	L	85.5	Confident	85.2	Confident	95 Å²	95	53.1 Å²	53.1	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-68.4	-38.4	175.4	-172.3	60.7	0	0	0	112.5	D533 A534 N540	D533-L536 HydrophobicContact CB-CB 3.86Å; D533-L536 PolarHBondContact O-N 2.74Å; D533-L536 PolarHBondContact OD1-N 3.48Å; A534-L536 VanDerWaalsContact C-N 3.29Å; A534-L536 PolarHBondContact O-N 3.43Å; L536-N540 VanDerWaalsContact O-CB 3.32Å; L536-N540 WeakPolarHBondContact O-CB 3.17Å; L536-N540 PolarHBondContact O-N 3.37Å; L536-N540 PolarHBondContact O-ND2 3.14Å; L536-N540 VanDerWaalsContact O-ND2 3.15Å
537	I	85.9	Confident	85.1	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-52.7	171.6	-67.1	164.2	0	0	0	109.9	M485 L528 A529 F532 D533 A534 K539 N540 M541	M485-I537 HydrophobicContact CB-CG1 4.38Å; M485-I537 HydrophobicContact CB-CG2 3.78Å; M485-I537 HydrophobicContact CE-CD1 4.17Å; M485-I537 HydrophobicContact CE-CG1 3.8Å; L528-I537 HydrophobicContact CB-CD1 4.2Å; L528-I537 HydrophobicContact CD2-CB 3.96Å; L528-I537 HydrophobicContact CD2-CD1 4.12Å; L528-I537 HydrophobicContact CD2-CG2 3.44Å; L528-I537 VanDerWaalsContact CD2-CG2 3.44Å; A529-I537 HydrophobicContact CB-CD1 4.15Å; F532-I537 HydrophobicContact CB-CD1 3.83Å; F532-I537 HydrophobicContact CB-CG1 4.24Å; D533-I537 WeakPolarHBondContact O-CG1 3.37Å; D533-I537 PolarHBondContact O-N 2.63Å; A534-I537 PolarHBondContact O-N 2.99Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 3.26Å; I537-N540 CarbonylContact O-C 3.59Å; I537-N540 PolarHBondContact O-N 3.16Å; I537-N540 VanDerWaalsContact O-N 3.15Å; I537-M541 HydrophobicContact CG2-CG 4.25Å; I537-M541 HydrophobicContact CG2-SD 3.67Å; I537-M541 WeakPolarHBondContact O-CG 3.34Å; I537-M541 PolarHBondContact O-N 2.73Å
538	V	88.6	Confident	85.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-44.1	-176.5	165.5	0	0	0	0	111.2	F513 I517 L528 A534 E535 M541 F542	F513-V538 HydrophobicContact CD1-CG1 4.09Å; F513-V538 HydrophobicContact CE1-CG1 4.44Å; I517-V538 HydrophobicContact CB-CG2 4.22Å; I517-V538 HydrophobicContact CG2-CG2 3.78Å; L528-V538 HydrophobicContact CD2-CG2 4.28Å; A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.31Å; A534-V538 WeakPolarHBondContact O-CG2 3.3Å; A534-V538 PolarHBondContact O-N 3.26Å; E535-V538 PolarHBondContact O-N 3.25Å; V538-M541 WeakPolarHBondContact O-CB 3.35Å; V538-M541 PolarHBondContact O-N 2.9Å; V538-F542 PolarHBondContact O-N 2.82Å
539	K	88.3	Confident	85	Confident	111 Å²	111	60.7 Å²	60.7	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-43.6	174	-177.3	173.8	-179.5	173.1	0	112.3	L510 E535 I537 M541 F542 T543	L510-K539 HydrophobicContact CD1-CB 4.31Å; L510-K539 HydrophobicContact CD1-CG 4.44Å; L510-K539 HydrophobicContact CD2-CG 4.34Å; E535-K539 WeakPolarHBondContact O-CB 3.5Å; E535-K539 PolarHBondContact O-N 3.46Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 3.26Å; K539-M541 VanDerWaalsContact C-N 3.32Å; K539-M541 PolarHBondContact O-N 2.8Å; K539-F542 PolarHBondContact O-N 2.86Å; K539-T543 PolarHBondContact O-N 3.33Å; K539-T543 PolarHBondContact O-OG1 2.97Å
540	N	86.3	Confident	85.2	Confident	85 Å²	85	64.6 Å²	64.6	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-66.1	-34.5	175.9	-70.7	-22.1	0	0	0	111.8	L536 I537 N544	L536-N540 VanDerWaalsContact O-CB 3.32Å; L536-N540 WeakPolarHBondContact O-CB 3.17Å; L536-N540 PolarHBondContact O-N 3.37Å; L536-N540 PolarHBondContact O-ND2 3.14Å; L536-N540 VanDerWaalsContact O-ND2 3.15Å; I537-N540 CarbonylContact O-C 3.59Å; I537-N540 PolarHBondContact O-N 3.16Å; I537-N540 VanDerWaalsContact O-N 3.15Å; N540-N544 WeakPolarHBondContact O-CB 3.29Å; N540-N544 PolarHBondContact O-N 2.95Å; N540-N544 VanDerWaalsContact O-N 3.13Å; N540-N544 PolarHBondContact O-ND2 2.9Å
541	M	87.3	Confident	85.5	Confident	40 Å²	40	65.1 Å²	65.1	20%	0.197	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-43.4	172.3	-73.2	168.6	57	0	0	111.5	F486 F513 I517 I537 V538 K539 N544 Q545	F486-M541 HydrophobicContact CB-CE 3.88Å; F486-M541 HydrophobicContact CB-SD 3.52Å; F486-M541 VanDerWaalsContact CB-SD 3.52Å; F486-M541 HydrophobicContact CD1-CE 3.78Å; F486-M541 HydrophobicContact CD2-CE 4.49Å; F486-M541 HydrophobicContact CE1-CE 4.42Å; F486-M541 HydrophobicContact CG-CE 3.81Å; F486-M541 HydrophobicContact CG-SD 4.05Å; F513-M541 HydrophobicContact CE1-CB 3.76Å; F513-M541 HydrophobicContact CE1-CE 4.37Å; F513-M541 HydrophobicContact CZ-CB 3.98Å; F513-M541 HydrophobicContact CZ-CE 4.19Å; I517-M541 HydrophobicContact CD1-CE 3.85Å; I517-M541 HydrophobicContact CG1-CE 4.2Å; I517-M541 HydrophobicContact CG2-CE 4.49Å; I537-M541 HydrophobicContact CG2-CG 4.25Å; I537-M541 HydrophobicContact CG2-SD 3.67Å; I537-M541 WeakPolarHBondContact O-CG 3.34Å; I537-M541 PolarHBondContact O-N 2.73Å; V538-M541 WeakPolarHBondContact O-CB 3.35Å; V538-M541 PolarHBondContact O-N 2.9Å; K539-M541 VanDerWaalsContact C-N 3.32Å; K539-M541 PolarHBondContact O-N 2.8Å; M541-N544 PolarHBondContact O-N 3.04Å; M541-Q545 PolarHBondContact O-N 3.42Å
542	F	88.9	Confident	86.1	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-51.5	175.3	-178.7	-92.1	0	0	0	111.9	V508 L509 L510 F513 V538 K539 N544 Q545 D546 G551 V553	V508-F542 HydrophobicContact CG1-CE2 4.43Å; L509-F542 VanDerWaalsContact C-CE2 3.43Å; L510-F542 HydrophobicContact CB-CD1 4.13Å; L510-F542 HydrophobicContact CB-CD2 4.3Å; L510-F542 HydrophobicContact CB-CE1 4.07Å; L510-F542 HydrophobicContact CB-CE2 4.23Å; L510-F542 HydrophobicContact CB-CG 4.25Å; L510-F542 HydrophobicContact CB-CZ 4.1Å; L510-F542 HydrophobicContact CD1-CB 3.64Å; L510-F542 HydrophobicContact CD1-CD1 3.97Å; L510-F542 HydrophobicContact CD1-CD2 4.25Å; L510-F542 HydrophobicContact CD1-CG 3.68Å; L510-F542 VanDerWaalsContact N-CE2 3.34Å; F513-F542 HydrophobicContact CB-CD2 3.78Å; F513-F542 HydrophobicContact CB-CE2 4.37Å; F513-F542 HydrophobicContact CD1-CB 3.89Å; F513-F542 HydrophobicContact CD1-CD2 4.18Å; F513-F542 HydrophobicContact CD2-CD2 4.45Å; F513-F542 HydrophobicContact CE1-CB 4.14Å; F513-F542 HydrophobicContact CG-CB 4.45Å; F513-F542 AromaticContact CG-CD2 3.9Å; F513-F542 HydrophobicContact CG-CD2 3.9Å; V538-F542 PolarHBondContact O-N 2.82Å; K539-F542 PolarHBondContact O-N 2.86Å; F542-N544 PolarHBondContact O-N 3.08Å; F542-N544 VanDerWaalsContact O-N 3.16Å; F542-Q545 CarbonylContact O-C 3.57Å; F542-Q545 WeakPolarHBondContact O-CA 3.13Å; F542-Q545 PolarHBondContact O-N 3.11Å; F542-D546 HydrophobicContact CE1-CB 4.26Å; F542-D546 PolarHBondContact O-N 3.24Å; F542-G551 WeakPolarHBondContact CZ-O 3.35Å; F542-V553 HydrophobicContact CD2-CG2 3.97Å; F542-V553 HydrophobicContact CE2-CB 4.48Å; F542-V553 HydrophobicContact CE2-CG2 3.61Å; F542-V553 HydrophobicContact CZ-CG2 3.94Å
543	T	87.1	Confident	86.4	Confident	79 Å²	79	61.7 Å²	61.7	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-14.1	179.1	-58.7	0	0	0	0	113.9	K539	K539-T543 PolarHBondContact O-N 3.33Å; K539-T543 PolarHBondContact O-OG1 2.97Å
544	N	86	Confident	86.7	Confident	127 Å²	127	59 Å²	59	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-84.7	-17.1	168.3	-79.3	-57.5	0	0	0	113.2	N540 M541 F542	N540-N544 WeakPolarHBondContact O-CB 3.29Å; N540-N544 PolarHBondContact O-N 2.95Å; N540-N544 VanDerWaalsContact O-N 3.13Å; N540-N544 PolarHBondContact O-ND2 2.9Å; M541-N544 PolarHBondContact O-N 3.04Å; F542-N544 PolarHBondContact O-N 3.08Å; F542-N544 VanDerWaalsContact O-N 3.16Å
545	Q	84.6	Confident	86.5	Confident	56 Å²	56	59.4 Å²	59.4	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-97.7	-32.8	176.4	-67.3	-74	96.5	0	0	112.1	M541 F542 R547 V553	M541-Q545 PolarHBondContact O-N 3.42Å; F542-Q545 CarbonylContact O-C 3.57Å; F542-Q545 WeakPolarHBondContact O-CA 3.13Å; F542-Q545 PolarHBondContact O-N 3.11Å; Q545-R547 PolarHBondContact O-N 3.31Å; Q545-R547 VanDerWaalsContact O-N 3.08Å; Q545-V553 HydrophobicContact CB-CG1 4.05Å; Q545-V553 HydrophobicContact CB-CG2 3.99Å
546	D	87.7	Confident	86.2	Confident	16 Å²	16	61 Å²	61	9%	0.086	34%	0.337	C	S	.	.			trans	-69.5	94	164.6	174.2	5	0	0	0	108.1	F542 N548 G549 D550 G551 K552 V553	F542-D546 HydrophobicContact CE1-CB 4.26Å; F542-D546 PolarHBondContact O-N 3.24Å; D546-N548 PolarHBondContact OD1-N 2.92Å; D546-G549 VanDerWaalsContact OD1-CA 3.24Å; D546-G549 WeakPolarHBondContact OD1-CA 3.29Å; D546-G549 PolarHBondContact OD1-N 2.99Å; D546-D550 PolarHBondContact OD1-N 2.87Å; D546-G551 WeakPolarHBondContact OD2-CA 3.47Å; D546-G551 PolarHBondContact OD2-N 3.01Å; D546-K552 WeakPolarHBondContact CB-O 3.39Å; D546-V553 HydrophobicContact CB-CG2 4.05Å
547	R	82.1	Confident	85.9	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	32%	0.318	S	S	.	.			trans	-84.7	-24.5	-174.4	-62.6	-174.9	-167.8	176.4	12.4	112.5	Q545 E557 K559 E564	Q545-R547 PolarHBondContact O-N 3.31Å; Q545-R547 VanDerWaalsContact O-N 3.08Å; R547-E557 HydrophobicContact CB-CG 4.39Å; R547-E557 HydrophobicContact CG-CB 4.43Å; R547-E557 HydrophobicContact CG-CG 4.48Å; R547-E557 PolarHBondContact N-OE1 3.07Å; R547-E557 PolarHBondContact NE-O 3.43Å; R547-E557 PolarHBondContact NH2-O 2.89Å; R547-K559 PolarHBondContact NH2-O 3.24Å; R547-E564 IonicContact CZ-OE1 3.53Å; R547-E564 IonicContact NH1-OE1 3.54Å; R547-E564 PolarHBondContact NH1-OE1 3.03Å; R547-E564 IonicContact NH1-OE2 3.51Å
548	N	85.9	Confident	85.5	Confident	92 Å²	92	59.1 Å²	59.1	49%	0.492	33%	0.325	S	S	.	.	S	Bend	trans	-94.7	-25.2	-172.4	88.6	68.5	0	0	0	112.1	D546 D550 E557	D546-N548 PolarHBondContact OD1-N 2.92Å; N548-D550 VanDerWaalsContact ND2-CG 3.34Å; N548-D550 PolarHBondContact ND2-OD2 2.95Å; N548-D550 WeakPolarHBondContact OD1-CB 3.5Å; N548-D550 PolarHBondContact OD1-N 2.66Å; N548-D550 PolarHBondContact OD1-OD2 3.4Å; N548-E557 PolarHBondContact N-OE1 3Å; N548-E557 PolarHBondContact ND2-OE1 3.23Å
549	G	84.9	Confident	84.8	Confident	60 Å²	60	63.9 Å²	63.9	62%	0.619	35%	0.346	S	S	*	.	S	Bend	trans	90.3	17.7	175.8	0	0	0	0	0	114.7	D546 G551	D546-G549 VanDerWaalsContact OD1-CA 3.24Å; D546-G549 WeakPolarHBondContact OD1-CA 3.29Å; D546-G549 PolarHBondContact OD1-N 2.99Å; G549-G551 VanDerWaalsContact C-N 3.34Å
550	D	87.6	Confident	83.3	Confident	92 Å²	92	65 Å²	65	49%	0.492	36%	0.356	S	S	.	.	S	Bend	trans	-81.8	-9.1	179.7	69.8	27	0	0	0	114.3	D546 N548 K552	D546-D550 PolarHBondContact OD1-N 2.87Å; N548-D550 VanDerWaalsContact ND2-CG 3.34Å; N548-D550 PolarHBondContact ND2-OD2 2.95Å; N548-D550 WeakPolarHBondContact OD1-CB 3.5Å; N548-D550 PolarHBondContact OD1-N 2.66Å; N548-D550 PolarHBondContact OD1-OD2 3.4Å; D550-K552 WeakPolarHBondContact OD1-CB 3.46Å; D550-K552 PolarHBondContact OD1-N 3.22Å
551	G	86.4	Confident	81.6	Confident	37 Å²	37	68.1 Å²	68.1	38%	0.381	37%	0.365	S	S	.	.	S	Bend	trans	91.5	12.6	-179.4	0	0	0	0	0	114.8	F542 D546 G549	F542-G551 WeakPolarHBondContact CZ-O 3.35Å; D546-G551 WeakPolarHBondContact OD2-CA 3.47Å; D546-G551 PolarHBondContact OD2-N 3.01Å; G549-G551 VanDerWaalsContact C-N 3.34Å
552	K	89.1	Confident	79.6	Confident	62 Å²	62	73.8 Å²	73.8	27%	0.27	40%	0.397	S	S	.	.			trans	-128	169.7	174.5	-45.9	-169.1	-167.2	178.1	0	110.8	E507 L509 D546 D550	E507-K552 HydrophobicContact CB-CB 4.39Å; E507-K552 HydrophobicContact CB-CD 3.79Å; E507-K552 VanDerWaalsContact CD-CD 3.47Å; E507-K552 HydrophobicContact CG-CD 4.13Å; E507-K552 WeakPolarHBondContact OE1-CD 3.08Å; E507-K552 IonicContact OE1-NZ 2.71Å; E507-K552 PolarHBondContact OE1-NZ 2.84Å; E507-K552 IonicContact OE2-NZ 3.54Å; E507-K552 PolarHBondContact OE2-NZ 3.47Å; L509-K552 HydrophobicContact CD2-CD 4.25Å; L509-K552 HydrophobicContact CD2-CG 3.93Å; D546-K552 WeakPolarHBondContact CB-O 3.39Å; D550-K552 WeakPolarHBondContact OD1-CB 3.46Å; D550-K552 PolarHBondContact OD1-N 3.22Å
553	V	86.1	Confident	77.4	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.006	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.4	169.9	-177	0	0	0	0	109.9	F497 V508 F542 Q545 D546 E557 F558	F497-V553 WeakPolarHBondContact CE2-O 3.46Å; V508-V553 HydrophobicContact CB-CB 4.32Å; V508-V553 PolarHBondContact N-O 3.46Å; V508-V553 PolarHBondContact O-N 3.33Å; F542-V553 HydrophobicContact CD2-CG2 3.97Å; F542-V553 HydrophobicContact CE2-CB 4.48Å; F542-V553 HydrophobicContact CE2-CG2 3.61Å; F542-V553 HydrophobicContact CZ-CG2 3.94Å; Q545-V553 HydrophobicContact CB-CG1 4.05Å; Q545-V553 HydrophobicContact CB-CG2 3.99Å; D546-V553 HydrophobicContact CB-CG2 4.05Å; V553-E557 HydrophobicContact CG1-CB 4.33Å; V553-F558 HydrophobicContact CG1-CB 4.37Å; V553-F558 HydrophobicContact CG1-CD2 3.91Å
554	T	88.1	Confident	75.3	Confident	42 Å²	42	82.5 Å²	82.5	26%	0.258	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	162.6	177.4	63.8	0	0	0	0	112.7	F497 E556 E557 F558	F497-T554 VanDerWaalsContact CE2-C 3.46Å; T554-E556 PolarHBondContact O-N 2.77Å; T554-E557 WeakPolarHBondContact CB-OE2 3.48Å; T554-E557 WeakPolarHBondContact CG2-OE2 3.11Å; T554-E557 PolarHBondContact N-OE2 3.26Å; T554-E557 PolarHBondContact O-N 3.34Å; T554-E557 PolarHBondContact OG1-N 2.55Å; T554-E557 PolarHBondContact OG1-OE2 2.64Å; T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.87Å
555	A	82.9	Confident	72.9	Confident	43 Å²	43	81.1 Å²	81.1	36%	0.355	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-4.3	172.9	0	0	0	0	0	114.4	F497 K559	F497-A555 HydrophobicContact CD1-CB 3.95Å; F497-A555 HydrophobicContact CD2-CB 4.28Å; F497-A555 HydrophobicContact CE1-CB 3.8Å; F497-A555 HydrophobicContact CE2-CB 4.12Å; F497-A555 VanDerWaalsContact CE2-N 3.33Å; F497-A555 HydrophobicContact CG-CB 4.2Å; F497-A555 HydrophobicContact CZ-CB 3.89Å; A555-K559 WeakPolarHBondContact O-CE 3.49Å; A555-K559 PolarHBondContact O-NZ 3.18Å
556	E	80.4	Confident	70.8	Confident	145 Å²	145	87.7 Å²	87.7	68%	0.678	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-48.5	171.8	-57.3	-160.9	146	0	0	110.8	T554 F558 K559	T554-E556 PolarHBondContact O-N 2.77Å; E556-F558 VanDerWaalsContact C-N 3.25Å; E556-F558 PolarHBondContact O-N 2.65Å; E556-K559 WeakPolarHBondContact O-CB 3.37Å; E556-K559 PolarHBondContact O-N 3.33Å
557	E	80.8	Confident	68.2	Low	20 Å²	20	95.7 Å²	95.7	9%	0.093	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.4	177.6	-66	160.8	118.7	0	0	113.3	R547 N548 V553 T554 K559	R547-E557 HydrophobicContact CB-CG 4.39Å; R547-E557 HydrophobicContact CG-CB 4.43Å; R547-E557 HydrophobicContact CG-CG 4.48Å; R547-E557 PolarHBondContact N-OE1 3.07Å; R547-E557 PolarHBondContact NE-O 3.43Å; R547-E557 PolarHBondContact NH2-O 2.89Å; N548-E557 PolarHBondContact N-OE1 3Å; N548-E557 PolarHBondContact ND2-OE1 3.23Å; V553-E557 HydrophobicContact CG1-CB 4.33Å; T554-E557 WeakPolarHBondContact CB-OE2 3.48Å; T554-E557 WeakPolarHBondContact CG2-OE2 3.11Å; T554-E557 PolarHBondContact N-OE2 3.26Å; T554-E557 PolarHBondContact O-N 3.34Å; T554-E557 PolarHBondContact OG1-N 2.55Å; T554-E557 PolarHBondContact OG1-OE2 2.64Å; E557-K559 PolarHBondContact O-N 3.25Å
558	F	77.4	Confident	65.7	Low	40 Å²	40	98.1 Å²	98.1	18%	0.175	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.7	177.4	-153.2	-94.6	0	0	0	114.1	L496 F497 I500 V553 T554 E556	L496-F558 HydrophobicContact CB-CE1 4.1Å; L496-F558 HydrophobicContact CD2-CE1 3.68Å; L496-F558 HydrophobicContact CD2-CZ 3.64Å; L496-F558 HydrophobicContact CG-CE1 3.75Å; L496-F558 HydrophobicContact CG-CZ 3.69Å; F497-F558 HydrophobicContact CB-CD1 4.16Å; F497-F558 HydrophobicContact CB-CE1 4.41Å; F497-F558 HydrophobicContact CB-CG 4.49Å; F497-F558 HydrophobicContact CD2-CB 3.85Å; F497-F558 HydrophobicContact CD2-CD1 4.27Å; F497-F558 AromaticContact CD2-CD2 3.93Å; F497-F558 HydrophobicContact CD2-CD2 3.93Å; F497-F558 AromaticContact CD2-CG 3.76Å; F497-F558 HydrophobicContact CD2-CG 3.76Å; F497-F558 HydrophobicContact CE2-CB 4.44Å; I500-F558 HydrophobicContact CD1-CE2 3.89Å; I500-F558 HydrophobicContact CD1-CZ 3.7Å; V553-F558 HydrophobicContact CG1-CB 4.37Å; V553-F558 HydrophobicContact CG1-CD2 3.91Å; T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.87Å; E556-F558 VanDerWaalsContact C-N 3.25Å; E556-F558 PolarHBondContact O-N 2.65Å
559	K	72.6	Confident	63	Low	101 Å²	101	102.4 Å²	102.4	44%	0.439	54%	0.539	S	S	.	.	S	Bend	trans	-82.4	137.7	-178.2	-65.6	166	-179	131.1	0	111.7	R547 A555 E556 E557	R547-K559 PolarHBondContact NH2-O 3.24Å; A555-K559 WeakPolarHBondContact O-CE 3.49Å; A555-K559 PolarHBondContact O-NZ 3.18Å; E556-K559 WeakPolarHBondContact O-CB 3.37Å; E556-K559 PolarHBondContact O-N 3.33Å; E557-K559 PolarHBondContact O-N 3.25Å
560	L	57.2	Low	60.3	Low	133 Å²	133	111.3 Å²	111.3	70%	0.696	57%	0.571	S	S	*	*			trans	-57.1	138.4	-179.9	-68.4	168.4	0	0	0	112.7	D562 Q563	L560-D562 PolarHBondContact O-N 2.72Å; L560-Q563 PolarHBondContact O-N 3.08Å
561	K	50.6	Low	58.9	Low	151 Å²	151	112.3 Å²	112.3	66%	0.657	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-51.5	-29.4	-178.5	-89.5	-175.8	170.6	177.9	0	114.8	Q563 E564	K561-Q563 PolarHBondContact O-N 3.08Å; K561-Q563 VanDerWaalsContact O-N 3.08Å; K561-E564 PolarHBondContact O-N 3.04Å; K561-E564 VanDerWaalsContact O-N 3.08Å
562	D	45	Very low	57.5	Low	160 Å²	160	116.3 Å²	116.3	86%	0.856	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-68.4	-3.5	179.7	-59.4	-42.9	0	0	0	114.2	L560	L560-D562 PolarHBondContact O-N 2.72Å
563	Q	43.4	Very low	55.7	Low	154 Å²	154	119.3 Å²	119.3	72%	0.72	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-99.7	-7.3	172.4	-62.4	-170.5	-0.8	0	0	113.8	L560 K561	L560-Q563 PolarHBondContact O-N 3.08Å; K561-Q563 PolarHBondContact O-N 3.08Å; K561-Q563 VanDerWaalsContact O-N 3.08Å
564	E	43.2	Very low	53.9	Low	115 Å²	115	126.2 Å²	126.2	54%	0.537	64%	0.638	S	S	.	*	S	Bend	trans	-78.8	124.5	170.6	-79.5	157.4	-148.2	0	0	109.7	R547 K561	R547-E564 IonicContact CZ-OE1 3.53Å; R547-E564 IonicContact NH1-OE1 3.54Å; R547-E564 PolarHBondContact NH1-OE1 3.03Å; R547-E564 IonicContact NH1-OE2 3.51Å; K561-E564 PolarHBondContact O-N 3.04Å; K561-E564 VanDerWaalsContact O-N 3.08Å
565	A	35.1	Very low	51.8	Low	98 Å²	98	131.5 Å²	131.5	81%	0.81	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-67.1	142.2	-175.9	0	0	0	0	0	111.4	H567	A565-H567 PolarHBondContact O-N 3.26Å
566	K	40.9	Very low	49.7	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-47.2	127.5	172.5	-71.2	-173.8	171.8	-164.7	0	111.4
567	H	31.5	Very low	47.5	Very low	183 Å²	183	136.9 Å²	136.9	85%	0.847	68%	0.683	S	S	*	*			trans	-138.7	138.5	155	-122.2	-87.9	0	0	0	108.9	A565	A565-H567 PolarHBondContact O-N 3.26Å
568	D	31.4	Very low	44.9	Very low	137 Å²	137	145.8 Å²	145.8	73%	0.733	73%	0.728	S	S	*	*			trans	-79.9	152.8	-146.2	-56.3	-59.7	0	0	0	116.6
569	E	28.3	Very low	42.2	Very low	183 Å²	183	154.7 Å²	154.7	86%	0.855	77%	0.774	S	S	*	*			trans	-15.5	135.2	160.5	-57.8	171.9	169.7	0	0	118.3
570	L	27.5	Very low	39.5	Very low	247 Å²	247	159.5 Å²	159.5	100%	1.293	80%	0.804	S	S	*	*				-160.3	0	114.7	-107.7	168.1	0	0	0	112.9

Retrieved 570 of 570 residues in 252.4 ms (Link to these results)

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