A0A3Q0KKM3_SCHMA Loading...

Venom allergen-like protein 12

AlphaFold DB (Q1WIQ4), UniProt , Accession A0A3Q0KKM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	52.7	Low	229 Å²	229	166.8 Å²	166.8	100%	1.128	81%	0.813	S	S	*	*				0	119.5	0	-156.4	-178.6	-63	0	0	106
2	Q	43.6	Very low	53.6	Low	175 Å²	175	164.4 Å²	164.4	82%	0.818	80%	0.804	S	S	*	*			trans	62.4	149.3	179.1	-67.2	169.8	-36.8	0	0	117.8
3	Q	47.9	Very low	54.2	Low	176 Å²	176	162.3 Å²	162.3	82%	0.822	80%	0.796	S	S	*	*			cis	-168.1	139.6	-42.5	-120.6	175	-5.1	0	0	103.9
4	N	45.3	Very low	54.5	Low	143 Å²	143	163.9 Å²	163.9	77%	0.765	80%	0.797	S	S	*	*			trans	-64.2	144.6	-177.1	-60.1	-47.7	0	0	0	112.5	F6	N4-F6 HydrophobicContact CB-CD2 4.36Å
5	L	53.2	Low	54.9	Low	150 Å²	150	163 Å²	163	79%	0.785	80%	0.797	S	S	*	*			trans	-129.1	98.2	156.4	-98.2	149.5	0	0	0	108.2	F7	L5-F7 HydrophobicContact CD2-CE2 4.15Å
6	F	55.1	Low	55.2	Low	190 Å²	190	158.9 Å²	158.9	83%	0.833	79%	0.79	S	S	*	*			trans	-74.2	121.3	166.3	-88.5	-94.2	0	0	0	108.6	N4	N4-F6 HydrophobicContact CB-CD2 4.36Å
7	F	56.3	Low	55.2	Low	174 Å²	174	159.5 Å²	159.5	76%	0.763	79%	0.79	S	S	*	*			trans	-103.9	115	162.4	-86.1	-85.5	0	0	0	108.6	L5	L5-F7 HydrophobicContact CD2-CE2 4.15Å
8	S	62.1	Low	55.4	Low	89 Å²	89	160.9 Å²	160.9	62%	0.622	79%	0.791	S	S	*	*			trans	-71.8	123.7	176.8	55.6	0	0	0	0	110.9	Y10	S8-Y10 PolarHBondContact O-N 3.36Å
9	F	57.7	Low	55.5	Low	199 Å²	199	159.6 Å²	159.6	87%	0.873	79%	0.786	S	S	*	*			trans	-70.4	105.8	166.4	-79.2	-94.2	0	0	0	109.5	S11	F9-S11 PolarHBondContact O-N 3.23Å
10	Y	55.9	Low	55.4	Low	207 Å²	207	155.6 Å²	155.6	81%	0.812	77%	0.774	S	S	*	*			trans	-82.5	98.8	163	-81.7	-84.7	0	0	0	108.6	S8 I12	S8-Y10 PolarHBondContact O-N 3.36Å; Y10-I12 PolarHBondContact O-N 3.08Å; Y10-I12 VanDerWaalsContact O-N 3.17Å
11	S	56.2	Low	55.6	Low	103 Å²	103	154 Å²	154	72%	0.72	77%	0.773	S	S	*	*			trans	-69.5	103.1	168.5	-56.3	0	0	0	0	109.1	F9 I13	F9-S11 PolarHBondContact O-N 3.23Å; S11-I13 PolarHBondContact O-N 3.17Å; S11-I13 VanDerWaalsContact O-N 3.08Å
12	I	62.4	Low	56.8	Low	138 Å²	138	148.7 Å²	148.7	71%	0.708	75%	0.748	S	S	*	*			trans	-72.4	98	167.8	-60.2	174.5	0	0	0	107	Y10 F14	Y10-I12 PolarHBondContact O-N 3.08Å; Y10-I12 VanDerWaalsContact O-N 3.17Å; I12-F14 HydrophobicContact CG2-CD2 3.67Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 PolarHBondContact O-N 3.14Å; I12-F14 VanDerWaalsContact O-N 3.14Å
13	I	61.7	Low	58.8	Low	137 Å²	137	149.7 Å²	149.7	70%	0.703	75%	0.75	S	S	*	*			trans	-75.6	96.4	166.9	-58.3	177.6	0	0	0	106.5	S11 L15	S11-I13 PolarHBondContact O-N 3.17Å; S11-I13 VanDerWaalsContact O-N 3.08Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 HydrophobicContact CG2-CD2 4.46Å; I13-L15 HydrophobicContact CG2-CG 4.1Å; I13-L15 PolarHBondContact O-N 3Å
14	F	59.4	Low	61	Low	185 Å²	185	143.2 Å²	143.2	81%	0.811	72%	0.721	S	S	*	*			trans	-67.7	93.2	161.6	-102.3	-89.5	0	0	0	107.6	I12 S16	I12-F14 HydrophobicContact CG2-CD2 3.67Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 PolarHBondContact O-N 3.14Å; I12-F14 VanDerWaalsContact O-N 3.14Å; F14-S16 PolarHBondContact O-N 3Å
15	L	60.1	Low	63.4	Low	150 Å²	150	140 Å²	140	79%	0.785	71%	0.706	S	S	*	*			trans	-68.1	91.4	160	-76.5	166.6	0	0	0	106.6	I13 E17	I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 HydrophobicContact CG2-CD2 4.46Å; I13-L15 HydrophobicContact CG2-CG 4.1Å; I13-L15 PolarHBondContact O-N 3Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.97Å
16	S	60.1	Low	65.5	Low	98 Å²	98	141.2 Å²	141.2	69%	0.685	71%	0.705	S	S	*	*			trans	-63	104.1	160	61.5	0	0	0	0	106.3	F14 F18	F14-S16 PolarHBondContact O-N 3Å; S16-F18 VanDerWaalsContact C-N 3.32Å; S16-F18 PolarHBondContact O-N 2.85Å
17	E	54.9	Low	67.5	Low	169 Å²	169	134.8 Å²	134.8	79%	0.79	68%	0.679	S	S	*	*			trans	-55.7	102.1	166.6	-70.7	-178.6	165.7	0	0	107.3	L15 I19	L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.97Å; E17-I19 HydrophobicContact CB-CG1 4.47Å; E17-I19 PolarHBondContact O-N 2.83Å
18	F	57.6	Low	69.5	Low	184 Å²	184	127.7 Å²	127.7	81%	0.807	65%	0.648	S	S	*	*			trans	-69.7	86.5	169.6	-150.3	-90.9	0	0	0	105.5	S16 S20	S16-F18 VanDerWaalsContact C-N 3.32Å; S16-F18 PolarHBondContact O-N 2.85Å; F18-S20 PolarHBondContact O-N 2.98Å
19	I	57.4	Low	71.2	Confident	136 Å²	136	126.1 Å²	126.1	70%	0.697	63%	0.633	S	S	*	*			trans	-67.2	82.1	167.8	-58.6	176	0	0	0	105.5	E17 T21	E17-I19 HydrophobicContact CB-CG1 4.47Å; E17-I19 PolarHBondContact O-N 2.83Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 2.77Å
20	S	54.5	Low	73.2	Confident	79 Å²	79	119.8 Å²	119.8	55%	0.552	60%	0.604	S	S	*	*			trans	-67.9	99	166.4	63	0	0	0	0	106.2	F18 I22	F18-S20 PolarHBondContact O-N 2.98Å; S20-I22 PolarHBondContact O-N 2.94Å
21	T	59.7	Low	75.2	Confident	124 Å²	124	110 Å²	110	76%	0.761	57%	0.565	S	S	*	*			trans	-56.3	107.9	164.6	49.2	0	0	0	0	107.1	I19 K23	I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 2.77Å; T21-K23 PolarHBondContact O-N 3.39Å
22	I	70.8	Confident	77.2	Confident	117 Å²	117	106.2 Å²	106.2	60%	0.6	54%	0.537	S	S	*	.			trans	-61.7	111.8	179	-64.5	174	0	0	0	106.7	S20 L24	S20-I22 PolarHBondContact O-N 2.94Å; I22-L24 PolarHBondContact O-N 2.8Å
23	K	87.2	Confident	78.9	Confident	196 Å²	196	105.3 Å²	105.3	85%	0.852	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-68.5	128.1	176.5	-173	177.6	179.9	178.4	0	108.4	T21	T21-K23 PolarHBondContact O-N 3.39Å
24	L	93.3	Very high	80.6	Confident	40 Å²	40	99.3 Å²	99.3	21%	0.209	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-55.6	142.9	174	-58.3	-174.1	0	0	0	110.8	I22 Q28 D29 L32 W61	I22-L24 PolarHBondContact O-N 2.8Å; L24-Q28 HydrophobicContact CB-CB 4.07Å; L24-Q28 HydrophobicContact CD2-CB 4.48Å; L24-D29 HydrophobicContact CB-CB 4.16Å; L24-D29 HydrophobicContact CD1-CB 4.41Å; L24-L32 HydrophobicContact CD1-CD2 3.96Å; L24-W61 HydrophobicContact CD1-CD2 4.24Å; L24-W61 HydrophobicContact CD1-CE3 4.37Å; L24-W61 HydrophobicContact CD1-CG 4.44Å; L24-W61 HydrophobicContact CD2-CD2 3.64Å; L24-W61 HydrophobicContact CD2-CE3 4.37Å; L24-W61 HydrophobicContact CD2-CG 3.84Å; L24-W61 HydrophobicContact CD2-CH2 4.41Å; L24-W61 HydrophobicContact CD2-CZ2 3.68Å; L24-W61 VanDerWaalsContact CD2-NE1 3.3Å
25	T	96.2	Very high	82.5	Confident	74 Å²	74	90.5 Å²	90.5	45%	0.454	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.5	162	166.2	72.8	0	0	0	0	110.1	D27 Q28 D29	T25-D27 PolarHBondContact O-N 3Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-Q28 VanDerWaalsContact OG1-CG 3.26Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.45Å; T25-Q28 PolarHBondContact OG1-N 3.47Å; T25-Q28 PolarHBondContact OG1-OE1 3.41Å; T25-D29 WeakPolarHBondContact O-CB 3.28Å; T25-D29 PolarHBondContact O-N 2.96Å
26	K	97	Very high	84.3	Confident	177 Å²	177	84.3 Å²	84.3	77%	0.77	43%	0.428	S	S	*	.	H	α-helix	trans	-53.4	-41.6	177	-177.6	-176.5	175.5	-174.2	0	112.1	Y30	K26-Y30 WeakPolarHBondContact O-CB 3.36Å; K26-Y30 PolarHBondContact O-N 3.06Å
27	D	97.8	Very high	86.1	Confident	55 Å²	55	86.3 Å²	86.3	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-72	-39.7	-179.1	-72.2	-15	0	0	0	112.2	T25 Y30 L31 V101 V145	T25-D27 PolarHBondContact O-N 3Å; D27-Y30 PolarHBondContact O-N 3.39Å; D27-L31 WeakPolarHBondContact O-CB 3.45Å; D27-L31 VanDerWaalsContact O-CG 3.26Å; D27-L31 WeakPolarHBondContact O-CG 3.36Å; D27-L31 PolarHBondContact O-N 3.02Å; D27-V101 HydrophobicContact CB-CG1 3.94Å; D27-V101 HydrophobicContact CB-CG2 4.32Å; D27-V145 HydrophobicContact CB-CB 4.4Å; D27-V145 HydrophobicContact CB-CG2 4.07Å
28	Q	98.3	Very high	88.2	Confident	24 Å²	24	79.3 Å²	79.3	11%	0.112	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-44.7	175.5	-71.9	175.4	-34	0	0	112	L24 T25 L31 L32 W61 C143	L24-Q28 HydrophobicContact CB-CB 4.07Å; L24-Q28 HydrophobicContact CD2-CB 4.48Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-Q28 VanDerWaalsContact OG1-CG 3.26Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.45Å; T25-Q28 PolarHBondContact OG1-N 3.47Å; T25-Q28 PolarHBondContact OG1-OE1 3.41Å; Q28-L31 PolarHBondContact O-N 3.14Å; Q28-L32 PolarHBondContact O-N 3.09Å; Q28-W61 HydrophobicContact CB-CH2 3.56Å; Q28-W61 HydrophobicContact CB-CZ2 4.05Å; Q28-W61 HydrophobicContact CB-CZ3 4.21Å; Q28-W61 HydrophobicContact CG-CH2 3.61Å; Q28-W61 HydrophobicContact CG-CZ2 4Å; Q28-C143 PolarHBondContact NE2-O 3.05Å
29	D	97.8	Very high	90.1	Very high	57 Å²	57	70.5 Å²	70.5	31%	0.305	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-43.7	175	176.9	72.1	0	0	0	111.4	L24 T25 K33	L24-D29 HydrophobicContact CB-CB 4.16Å; L24-D29 HydrophobicContact CD1-CB 4.41Å; T25-D29 WeakPolarHBondContact O-CB 3.28Å; T25-D29 PolarHBondContact O-N 2.96Å; D29-K33 WeakPolarHBondContact O-CB 3.34Å; D29-K33 WeakPolarHBondContact O-CG 3.4Å; D29-K33 PolarHBondContact O-N 3.28Å; D29-K33 WeakPolarHBondContact OD1-CE 3.38Å; D29-K33 IonicContact OD1-NZ 3.51Å; D29-K33 PolarHBondContact OD1-NZ 2.83Å; D29-K33 WeakPolarHBondContact OD2-CE 3.47Å; D29-K33 IonicContact OD2-NZ 3.08Å; D29-K33 PolarHBondContact OD2-NZ 3.45Å
30	Y	98.3	Very high	92	Very high	66 Å²	66	67.6 Å²	67.6	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-51	174.2	173	-92.5	0	0	0	111.6	K26 D27 L32 K33 A34 V101 Q102 M105	K26-Y30 WeakPolarHBondContact O-CB 3.36Å; K26-Y30 PolarHBondContact O-N 3.06Å; D27-Y30 PolarHBondContact O-N 3.39Å; Y30-L32 PolarHBondContact O-N 3.32Å; Y30-K33 PolarHBondContact O-N 3.45Å; Y30-A34 HydrophobicContact CE1-CB 4.3Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.26Å; Y30-A34 PolarHBondContact O-N 2.84Å; Y30-V101 HydrophobicContact CD1-CB 4.33Å; Y30-V101 HydrophobicContact CD1-CG2 3.65Å; Y30-V101 HydrophobicContact CE1-CG2 4.11Å; Y30-V101 HydrophobicContact CG-CG2 4.35Å; Y30-Q102 HydrophobicContact CE1-CB 4.49Å; Y30-Q102 HydrophobicContact CE1-CG 4.1Å; Y30-Q102 HydrophobicContact CE2-CG 3.97Å; Y30-M105 HydrophobicContact CE1-CB 4.21Å
31	L	98.3	Very high	94	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-47.6	-178.4	-73.6	166	0	0	0	111.2	D27 Q28 K33 A34 H35 V101 M105 C143 V145 V160	D27-L31 WeakPolarHBondContact O-CB 3.45Å; D27-L31 VanDerWaalsContact O-CG 3.26Å; D27-L31 WeakPolarHBondContact O-CG 3.36Å; D27-L31 PolarHBondContact O-N 3.02Å; Q28-L31 PolarHBondContact O-N 3.14Å; L31-K33 PolarHBondContact O-N 2.99Å; L31-A34 PolarHBondContact O-N 3.44Å; L31-H35 PolarHBondContact O-N 2.97Å; L31-H35 PolarHBondContact O-ND1 3.16Å; L31-V101 HydrophobicContact CD2-CB 4.41Å; L31-M105 HydrophobicContact CD2-SD 4.46Å; L31-C143 HydrophobicContact CD1-CB 3.75Å; L31-V145 HydrophobicContact CD1-CG2 3.75Å; L31-V160 HydrophobicContact CD1-CG1 3.89Å; L31-V160 HydrophobicContact CD2-CG1 4.26Å
32	L	98.6	Very high	95.8	Very high	25 Å²	25	62.6 Å²	62.6	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177.1	176.6	62.6	0	0	0	112	L24 Q28 Y30 H35 N36 L59 W61 I141	L24-L32 HydrophobicContact CD1-CD2 3.96Å; Q28-L32 PolarHBondContact O-N 3.09Å; Y30-L32 PolarHBondContact O-N 3.32Å; L32-H35 PolarHBondContact O-N 2.94Å; L32-N36 PolarHBondContact O-N 2.86Å; L32-N36 VanDerWaalsContact O-N 3.1Å; L32-N36 PolarHBondContact O-ND2 3.14Å; L32-L59 HydrophobicContact CD1-CB 4.48Å; L32-W61 HydrophobicContact CB-CE3 4.2Å; L32-W61 HydrophobicContact CB-CZ3 4.47Å; L32-W61 HydrophobicContact CD1-CE3 4.49Å; L32-W61 HydrophobicContact CD2-CB 4.08Å; L32-W61 HydrophobicContact CD2-CE3 4.3Å; L32-I141 HydrophobicContact CD1-CG2 3.5Å; L32-I141 VanDerWaalsContact CD1-CG2 3.5Å
33	K	97.9	Very high	97	Very high	118 Å²	118	61.4 Å²	61.4	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-41.4	179.3	-75.5	172.7	177.7	164.5	0	111.9	D29 Y30 L31 N36 R37	D29-K33 WeakPolarHBondContact O-CB 3.34Å; D29-K33 WeakPolarHBondContact O-CG 3.4Å; D29-K33 PolarHBondContact O-N 3.28Å; D29-K33 WeakPolarHBondContact OD1-CE 3.38Å; D29-K33 IonicContact OD1-NZ 3.51Å; D29-K33 PolarHBondContact OD1-NZ 2.83Å; D29-K33 WeakPolarHBondContact OD2-CE 3.47Å; D29-K33 IonicContact OD2-NZ 3.08Å; D29-K33 PolarHBondContact OD2-NZ 3.45Å; Y30-K33 PolarHBondContact O-N 3.45Å; L31-K33 PolarHBondContact O-N 2.99Å; K33-N36 PolarHBondContact O-N 3.42Å; K33-R37 WeakPolarHBondContact O-CB 3.44Å; K33-R37 PolarHBondContact O-N 3.07Å
34	A	98.2	Very high	97.4	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-45.9	178.8	0	0	0	0	0	111.5	Y30 L31 N36 R37 I38 M105	Y30-A34 HydrophobicContact CE1-CB 4.3Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.26Å; Y30-A34 PolarHBondContact O-N 2.84Å; L31-A34 PolarHBondContact O-N 3.44Å; A34-N36 VanDerWaalsContact C-N 3.34Å; A34-N36 PolarHBondContact O-N 3.34Å; A34-R37 WeakPolarHBondContact O-CB 3.4Å; A34-R37 PolarHBondContact O-N 3.19Å; A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 3.24Å; A34-M105 HydrophobicContact CB-CE 4.14Å; A34-M105 HydrophobicContact CB-CG 3.76Å; A34-M105 HydrophobicContact CB-SD 3.97Å
35	H	98.5	Very high	97.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-48.6	174.1	-77.8	73.6	0	0	0	111.9	L31 L32 R37 I38 R39 L59 M105 I141 Y164	L31-H35 PolarHBondContact O-N 2.97Å; L31-H35 PolarHBondContact O-ND1 3.16Å; L32-H35 PolarHBondContact O-N 2.94Å; H35-R37 VanDerWaalsContact C-N 3.28Å; H35-R37 PolarHBondContact O-N 3.3Å; H35-I38 PolarHBondContact O-N 3.48Å; H35-R39 VanDerWaalsContact O-CG 3.3Å; H35-R39 WeakPolarHBondContact O-CG 3.26Å; H35-R39 PolarHBondContact O-N 2.87Å; H35-L59 HydrophobicContact CB-CD1 4.17Å; H35-M105 VanDerWaalsContact CE1-SD 3.53Å; H35-I141 HydrophobicContact CB-CD1 4.41Å; H35-Y164 AromaticContact CD2-CE1 3.63Å; H35-Y164 AromaticContact NE2-CE1 3.47Å; H35-Y164 WeakPolarHBondContact NE2-CE1 3.49Å; H35-Y164 AromaticContact NE2-CZ 3.5Å; H35-Y164 PolarHBondContact NE2-OH 3.5Å
36	N	98.7	Very high	97.5	Very high	21 Å²	21	54 Å²	54	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-33	-179.9	-75.9	-22.8	0	0	0	112.8	L32 K33 A34 Q40 N58 L59	L32-N36 PolarHBondContact O-N 2.86Å; L32-N36 VanDerWaalsContact O-N 3.1Å; L32-N36 PolarHBondContact O-ND2 3.14Å; K33-N36 PolarHBondContact O-N 3.42Å; A34-N36 VanDerWaalsContact C-N 3.34Å; A34-N36 PolarHBondContact O-N 3.34Å; N36-Q40 WeakPolarHBondContact O-CB 3.08Å; N36-Q40 WeakPolarHBondContact O-CG 3.41Å; N36-Q40 PolarHBondContact O-N 3.16Å; N36-Q40 PolarHBondContact O-NE2 2.91Å; N36-N58 HydrophobicContact CB-CB 4.35Å; N36-N58 VanDerWaalsContact OD1-CA 3.26Å; N36-N58 WeakPolarHBondContact OD1-CA 3.31Å; N36-L59 PolarHBondContact ND2-O 2.82Å; N36-L59 VanDerWaalsContact ND2-O 3.11Å; N36-L59 PolarHBondContact OD1-N 2.97Å
37	R	98.1	Very high	97.4	Very high	139 Å²	139	46.1 Å²	46.1	53%	0.525	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-45.1	172.6	-175.4	179.4	-66.1	169.4	-1.6	112	K33 A34 H35 R39 Q40 Y41	K33-R37 WeakPolarHBondContact O-CB 3.44Å; K33-R37 PolarHBondContact O-N 3.07Å; A34-R37 WeakPolarHBondContact O-CB 3.4Å; A34-R37 PolarHBondContact O-N 3.19Å; H35-R37 VanDerWaalsContact C-N 3.28Å; H35-R37 PolarHBondContact O-N 3.3Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-R39 PolarHBondContact O-N 3.31Å; R37-Q40 WeakPolarHBondContact O-CB 3.46Å; R37-Q40 PolarHBondContact O-N 3.2Å; R37-Q40 VanDerWaalsContact O-N 3.16Å; R37-Y41 HydrophobicContact CG-CD1 4.4Å; R37-Y41 HydrophobicContact CG-CE1 3.86Å; R37-Y41 HydrophobicContact CG-CE2 4.01Å; R37-Y41 WeakPolarHBondContact O-CD1 3.39Å; R37-Y41 PolarHBondContact O-N 3.05Å
38	I	97.9	Very high	97.2	Very high	22 Å²	22	45.4 Å²	45.4	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-39.9	178.4	-60.8	-57.8	0	0	0	111.3	A34 H35 Q40 Y41 A42 I47 M105 V109 I133 V134	A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 3.24Å; H35-I38 PolarHBondContact O-N 3.48Å; I38-Q40 VanDerWaalsContact C-N 3.29Å; I38-Q40 PolarHBondContact O-N 2.99Å; I38-Y41 HydrophobicContact CD1-CD2 4.13Å; I38-Y41 WeakPolarHBondContact O-CB 3.48Å; I38-Y41 PolarHBondContact O-N 2.95Å; I38-Y41 VanDerWaalsContact O-N 3.14Å; I38-A42 PolarHBondContact O-N 3.24Å; I38-I47 HydrophobicContact CG2-CD1 4.21Å; I38-M105 HydrophobicContact CG1-CE 4.09Å; I38-V109 HydrophobicContact CD1-CB 4.49Å; I38-V109 HydrophobicContact CD1-CG1 3.75Å; I38-V109 HydrophobicContact CD1-CG2 3.87Å; I38-V109 HydrophobicContact CG1-CG1 4.34Å; I38-V109 HydrophobicContact CG1-CG2 3.65Å; I38-V109 HydrophobicContact CG2-CG2 4.49Å; I38-I133 HydrophobicContact CB-CG2 4.08Å; I38-I133 HydrophobicContact CG2-CG2 3.91Å; I38-V134 HydrophobicContact CG2-CG1 3.96Å
39	R	98.5	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-34.9	173.9	-65.2	171.6	70.1	90	-6.4	111.9	H35 R37 R43 I56 L57 L59 I133 W135 T138	H35-R39 VanDerWaalsContact O-CG 3.3Å; H35-R39 WeakPolarHBondContact O-CG 3.26Å; H35-R39 PolarHBondContact O-N 2.87Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-R39 PolarHBondContact O-N 3.31Å; R39-R43 PolarHBondContact O-N 3.46Å; R39-I56 HydrophobicContact CB-CD1 4Å; R39-I56 HydrophobicContact CB-CG1 4.09Å; R39-I56 HydrophobicContact CB-CG2 4.48Å; R39-I56 HydrophobicContact CG-CD1 3.73Å; R39-I56 HydrophobicContact CG-CG1 4.13Å; R39-I56 VanDerWaalsContact NH2-CG1 3.29Å; R39-I56 WeakPolarHBondContact O-CG2 3.46Å; R39-L57 PolarHBondContact NE-O 3.1Å; R39-L57 PolarHBondContact NH2-O 3.42Å; R39-L59 VanDerWaalsContact CZ-CD2 3.48Å; R39-I133 WeakPolarHBondContact CD-O 3.14Å; R39-I133 WeakPolarHBondContact CG-O 3.24Å; R39-I133 PolarHBondContact NH1-O 3.36Å; R39-W135 PolarHBondContact NH1-O 3.41Å; R39-W135 PolarHBondContact NH2-O 2.93Å; R39-T138 PolarHBondContact NH2-O 2.79Å; R39-T138 VanDerWaalsContact NH2-O 3.09Å
40	Q	97.3	Very high	97	Very high	75 Å²	75	43.6 Å²	43.6	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-43.9	170.3	-75.9	159.5	24.7	0	0	111.9	N36 R37 I38 A42 R43 S44 N58	N36-Q40 WeakPolarHBondContact O-CB 3.08Å; N36-Q40 WeakPolarHBondContact O-CG 3.41Å; N36-Q40 PolarHBondContact O-N 3.16Å; N36-Q40 PolarHBondContact O-NE2 2.91Å; R37-Q40 WeakPolarHBondContact O-CB 3.46Å; R37-Q40 PolarHBondContact O-N 3.2Å; R37-Q40 VanDerWaalsContact O-N 3.16Å; I38-Q40 VanDerWaalsContact C-N 3.29Å; I38-Q40 PolarHBondContact O-N 2.99Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.35Å; Q40-R43 WeakPolarHBondContact O-CB 3.32Å; Q40-R43 PolarHBondContact O-N 2.66Å; Q40-S44 PolarHBondContact O-N 3.24Å; Q40-S44 PolarHBondContact O-OG 3.08Å; Q40-N58 PolarHBondContact NE2-ND2 3.05Å; Q40-N58 PolarHBondContact NE2-OD1 2.95Å; Q40-N58 VanDerWaalsContact NE2-OD1 3.14Å
41	Y	96.7	Very high	97	Very high	96 Å²	96	40.6 Å²	40.6	38%	0.376	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-38.6	177.4	-69.4	-6.5	0	0	0	112.6	R37 I38 R43 S44 C45 N46	R37-Y41 HydrophobicContact CG-CD1 4.4Å; R37-Y41 HydrophobicContact CG-CE1 3.86Å; R37-Y41 HydrophobicContact CG-CE2 4.01Å; R37-Y41 WeakPolarHBondContact O-CD1 3.39Å; R37-Y41 PolarHBondContact O-N 3.05Å; I38-Y41 HydrophobicContact CD1-CD2 4.13Å; I38-Y41 WeakPolarHBondContact O-CB 3.48Å; I38-Y41 PolarHBondContact O-N 2.95Å; I38-Y41 VanDerWaalsContact O-N 3.14Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.08Å; Y41-S44 PolarHBondContact O-N 2.91Å; Y41-S44 PolarHBondContact O-OG 2.8Å; Y41-C45 PolarHBondContact O-N 2.79Å; Y41-C45 VanDerWaalsContact O-N 3.16Å; Y41-N46 HydrophobicContact CD1-CB 4.18Å; Y41-N46 HydrophobicContact CG-CB 4.02Å; Y41-N46 PolarHBondContact O-N 3.42Å
42	A	96.8	Very high	97	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-39.7	172.6	0	0	0	0	0	111.9	I38 Q40 I47 A53 I56 V134	I38-A42 PolarHBondContact O-N 3.24Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.35Å; A42-I47 HydrophobicContact CB-CD1 3.81Å; A42-A53 HydrophobicContact CB-CB 4.03Å; A42-A53 PolarHBondContact O-N 2.97Å; A42-I56 HydrophobicContact CB-CG2 4.27Å; A42-V134 HydrophobicContact CB-CG1 4.48Å
43	R	96.8	Very high	97	Very high	92 Å²	92	42.6 Å²	42.6	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-72.5	-34.2	176.4	-67.5	-173.1	-81.1	121.3	-10.1	113.9	R39 Q40 Y41 C45 Q52 I56	R39-R43 PolarHBondContact O-N 3.46Å; Q40-R43 WeakPolarHBondContact O-CB 3.32Å; Q40-R43 PolarHBondContact O-N 2.66Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.08Å; R43-C45 VanDerWaalsContact C-N 3.29Å; R43-Q52 VanDerWaalsContact O-CG 3.29Å; R43-Q52 WeakPolarHBondContact O-CG 3.5Å; R43-Q52 PolarHBondContact O-NE2 3Å; R43-I56 WeakPolarHBondContact CD-O 3.46Å; R43-I56 HydrophobicContact CG-CB 4.48Å; R43-I56 HydrophobicContact CG-CG2 3.28Å; R43-I56 PolarHBondContact NE-O 3.16Å
44	S	95.6	Very high	97	Very high	58 Å²	58	44.1 Å²	44.1	41%	0.406	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	13	-175.4	70.3	0	0	0	0	113.1	Q40 Y41 N46	Q40-S44 PolarHBondContact O-N 3.24Å; Q40-S44 PolarHBondContact O-OG 3.08Å; Y41-S44 PolarHBondContact O-N 2.91Å; Y41-S44 PolarHBondContact O-OG 2.8Å; S44-N46 VanDerWaalsContact C-N 3.33Å; S44-N46 PolarHBondContact O-N 2.89Å; S44-N46 PolarHBondContact O-OD1 3.28Å; S44-N46 PolarHBondContact OG-ND2 3.15Å
45	C	95.3	Very high	96.9	Very high	42 Å²	42	50.2 Å²	50.2	28%	0.284	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	41.4	-177.7	-153.6	0	0	0	0	114.3	Y41 R43 Q52 C183	Y41-C45 PolarHBondContact O-N 2.79Å; Y41-C45 VanDerWaalsContact O-N 3.16Å; R43-C45 VanDerWaalsContact C-N 3.29Å; C45-Q52 HydrophobicContact CB-CB 3.97Å; C45-Q52 HydrophobicContact CB-CG 3.97Å; C45-C183 WeakPolarHBondContact CA-SG 3.49Å; C45-C183 HydrophobicContact CB-CB 4.14Å; C45-C183 WeakPolarHBondContact CB-SG 3.4Å; C45-C183 WeakPolarHBondContact O-CB 3.49Å; C45-C183 PolarHBondContact O-SG 2.78Å; C45-C183 WeakPolarHBondContact SG-CA 3.37Å; C45-C183 WeakPolarHBondContact SG-CB 3.2Å; C45-C183 CovalentContact SG-SG 2.04Å; C45-C183 PolarHBondContact SG-SG 3.48Å
46	N	94.7	Very high	96.9	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	24%	0.241	S	C	.	.			trans	-109	19.2	-178.4	-74.2	-16	0	0	0	113.4	Y41 S44	Y41-N46 HydrophobicContact CD1-CB 4.18Å; Y41-N46 HydrophobicContact CG-CB 4.02Å; Y41-N46 PolarHBondContact O-N 3.42Å; S44-N46 VanDerWaalsContact C-N 3.33Å; S44-N46 PolarHBondContact O-N 2.89Å; S44-N46 PolarHBondContact O-OD1 3.28Å; S44-N46 PolarHBondContact OG-ND2 3.15Å
47	I	95.4	Very high	96.8	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.056	26%	0.259	C	S	.	.	S	Bend	trans	-112.7	97.7	171.5	-54.1	179.9	0	0	0	107.2	I38 A42 G49 Q50 Y112 Y130 V134 C183	I38-I47 HydrophobicContact CG2-CD1 4.21Å; A42-I47 HydrophobicContact CB-CD1 3.81Å; I47-G49 PolarHBondContact O-N 2.8Å; I47-Q50 HydrophobicContact CB-CB 4.18Å; I47-Q50 HydrophobicContact CB-CG 4.44Å; I47-Q50 HydrophobicContact CG2-CB 3.95Å; I47-Q50 HydrophobicContact CG2-CG 3.65Å; I47-Q50 PolarHBondContact O-N 3.44Å; I47-Q50 VanDerWaalsContact O-N 3.1Å; I47-Y112 HydrophobicContact CG2-CD1 4.33Å; I47-Y112 HydrophobicContact CG2-CD2 3.66Å; I47-Y112 HydrophobicContact CG2-CE2 4.29Å; I47-Y112 HydrophobicContact CG2-CG 3.72Å; I47-Y130 HydrophobicContact CD1-CE2 4.15Å; I47-V134 HydrophobicContact CD1-CG1 4.46Å; I47-C183 WeakPolarHBondContact O-CB 3.15Å
48	T	93.6	Very high	96.8	Very high	41 Å²	41	50.6 Å²	50.6	25%	0.252	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	132	-178.5	-59.8	0	0	0	0	111.8	Q50 Y112 I185	T48-Q50 PolarHBondContact O-N 2.66Å; T48-Y112 WeakPolarHBondContact O-CD2 3.26Å; T48-Y112 VanDerWaalsContact O-CE2 3.23Å; T48-Y112 WeakPolarHBondContact O-CE2 3.43Å; T48-I185 HydrophobicContact CG2-CB 4.14Å; T48-I185 HydrophobicContact CG2-CG1 3.55Å
49	G	95.2	Very high	96.9	Very high	38 Å²	38	49.8 Å²	49.8	39%	0.392	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-5.7	176.5	0	0	0	0	0	115.1	I47 K182 C183	I47-G49 PolarHBondContact O-N 2.8Å; G49-K182 WeakPolarHBondContact O-CD 3.16Å; G49-C183 PolarHBondContact N-O 2.88Å
50	Q	97	Very high	96.9	Very high	5 Å²	5	54 Å²	54	2%	0.023	27%	0.274	C	S	.	.	S	Bend	trans	-104.2	149.2	174.7	-62.3	-60.7	-33.7	0	0	110.4	I47 T48 Y112 Y115 C183	I47-Q50 HydrophobicContact CB-CB 4.18Å; I47-Q50 HydrophobicContact CB-CG 4.44Å; I47-Q50 HydrophobicContact CG2-CB 3.95Å; I47-Q50 HydrophobicContact CG2-CG 3.65Å; I47-Q50 PolarHBondContact O-N 3.44Å; I47-Q50 VanDerWaalsContact O-N 3.1Å; T48-Q50 PolarHBondContact O-N 2.66Å; Q50-Y112 HydrophobicContact CG-CD2 4.36Å; Q50-Y112 PolarHBondContact NE2-O 3.12Å; Q50-Y115 PolarHBondContact NE2-O 3.34Å; Q50-C183 VanDerWaalsContact O-CB 3.29Å; Q50-C183 WeakPolarHBondContact O-CB 3.49Å; Q50-C183 PolarHBondContact O-N 3.13Å; Q50-C183 PolarHBondContact O-SG 3.19Å
51	P	97.7	Very high	96.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	156.5	175.7	29.9	-32.7	0	0	0	112.1	A53 F117 Y175 V177 S179 A181	P51-A53 PolarHBondContact O-N 2.84Å; P51-F117 HydrophobicContact CG-CB 3.9Å; P51-F117 HydrophobicContact CG-CD1 3.59Å; P51-F117 HydrophobicContact CG-CD2 3.41Å; P51-F117 VanDerWaalsContact CG-CD2 3.41Å; P51-F117 HydrophobicContact CG-CE1 3.95Å; P51-F117 HydrophobicContact CG-CE2 3.81Å; P51-F117 HydrophobicContact CG-CG 3.33Å; P51-F117 HydrophobicContact CG-CZ 4.06Å; P51-Y175 HydrophobicContact CG-CE2 4.35Å; P51-Y175 WeakPolarHBondContact O-CE2 3.34Å; P51-Y175 PolarHBondContact O-OH 3.16Å; P51-V177 HydrophobicContact CB-CB 4.31Å; P51-V177 HydrophobicContact CB-CG1 3.73Å; P51-V177 HydrophobicContact CG-CG1 3.56Å; P51-S179 WeakPolarHBondContact CB-O 3.2Å; P51-A181 WeakPolarHBondContact CA-O 3.41Å
52	Q	97.9	Very high	97	Very high	66 Å²	66	48.2 Å²	48.2	31%	0.308	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124	178.1	-173.5	-176	1.4	0	0	111.3	R43 C45 K54 V177 V178	R43-Q52 VanDerWaalsContact O-CG 3.29Å; R43-Q52 WeakPolarHBondContact O-CG 3.5Å; R43-Q52 PolarHBondContact O-NE2 3Å; C45-Q52 HydrophobicContact CB-CB 3.97Å; C45-Q52 HydrophobicContact CB-CG 3.97Å; Q52-K54 PolarHBondContact O-N 2.86Å; Q52-V177 WeakPolarHBondContact O-CA 3.16Å; Q52-V178 HydrophobicContact CB-CB 4.47Å; Q52-V178 HydrophobicContact CB-CG2 4.41Å; Q52-V178 HydrophobicContact CG-CG2 4.08Å; Q52-V178 PolarHBondContact O-N 3.47Å
53	A	98.3	Very high	97	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.3	173.4	0	0	0	0	0	110.9	A42 P51 I56 Y175	A42-A53 HydrophobicContact CB-CB 4.03Å; A42-A53 PolarHBondContact O-N 2.97Å; P51-A53 PolarHBondContact O-N 2.84Å; A53-I56 HydrophobicContact CB-CG2 3.87Å; A53-Y175 HydrophobicContact CB-CD1 4.27Å; A53-Y175 HydrophobicContact CB-CD2 3.43Å; A53-Y175 VanDerWaalsContact CB-CD2 3.43Å; A53-Y175 HydrophobicContact CB-CE2 3.75Å; A53-Y175 HydrophobicContact CB-CG 3.72Å
54	K	98.2	Very high	97	Very high	149 Å²	149	50.7 Å²	50.7	65%	0.648	27%	0.267	S	S	*	.	S	Bend	trans	-63.8	-44.6	175.6	-174.9	175.7	-177.2	175.4	0	111.5	Q52 D176 V178	Q52-K54 PolarHBondContact O-N 2.86Å; K54-D176 HydrophobicContact CB-CB 4.26Å; K54-D176 WeakPolarHBondContact CB-O 3.48Å; K54-D176 PolarHBondContact N-O 2.03Å; K54-V178 HydrophobicContact CB-CG2 4.22Å
55	R	97.1	Very high	97.1	Very high	139 Å²	139	48 Å²	48	53%	0.525	25%	0.248	S	C	.	.			trans	-155.4	118.2	178.5	-164.5	-175.8	83.8	114.6	1.7	112	L57 Q136	R55-L57 HydrophobicContact CG-CD2 4.49Å; R55-Q136 WeakPolarHBondContact O-CG 3.49Å; R55-Q136 PolarHBondContact O-OE1 2.84Å
56	I	97.2	Very high	97.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.236	C	C	.	.			trans	-142.2	114.7	170.4	-177.7	174	0	0	0	109.4	R39 A42 R43 A53 V134	R39-I56 HydrophobicContact CB-CD1 4Å; R39-I56 HydrophobicContact CB-CG1 4.09Å; R39-I56 HydrophobicContact CB-CG2 4.48Å; R39-I56 HydrophobicContact CG-CD1 3.73Å; R39-I56 HydrophobicContact CG-CG1 4.13Å; R39-I56 VanDerWaalsContact NH2-CG1 3.29Å; R39-I56 WeakPolarHBondContact O-CG2 3.46Å; A42-I56 HydrophobicContact CB-CG2 4.27Å; R43-I56 WeakPolarHBondContact CD-O 3.46Å; R43-I56 HydrophobicContact CG-CB 4.48Å; R43-I56 HydrophobicContact CG-CG2 3.28Å; R43-I56 PolarHBondContact NE-O 3.16Å; A53-I56 HydrophobicContact CB-CG2 3.87Å; I56-V134 VanDerWaalsContact CD1-C 3.45Å; I56-V134 HydrophobicContact CD1-CB 4.09Å; I56-V134 WeakPolarHBondContact CD1-O 3.21Å
57	L	98	Very high	97.4	Very high	94 Å²	94	47.5 Å²	47.5	49%	0.492	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-80.2	154.4	-172.8	-61.6	-178.2	0	0	0	111.4	R39 R55 L59	R39-L57 PolarHBondContact NE-O 3.1Å; R39-L57 PolarHBondContact NH2-O 3.42Å; R55-L57 HydrophobicContact CG-CD2 4.49Å; L57-L59 PolarHBondContact O-N 2.05Å
58	N	98.6	Very high	97.5	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-60.6	139.3	168.1	-69.4	-9.2	0	0	0	109.7	N36 Q40	N36-N58 HydrophobicContact CB-CB 4.35Å; N36-N58 VanDerWaalsContact OD1-CA 3.26Å; N36-N58 WeakPolarHBondContact OD1-CA 3.31Å; Q40-N58 PolarHBondContact NE2-ND2 3.05Å; Q40-N58 PolarHBondContact NE2-OD1 2.95Å; Q40-N58 VanDerWaalsContact NE2-OD1 3.14Å
59	L	98.8	Very high	97.7	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.7	143.8	171.7	-56.8	180	0	0	0	110.2	L32 H35 N36 R39 L57 T138 T139 I141 Y164	L32-L59 HydrophobicContact CD1-CB 4.48Å; H35-L59 HydrophobicContact CB-CD1 4.17Å; N36-L59 PolarHBondContact ND2-O 2.82Å; N36-L59 VanDerWaalsContact ND2-O 3.11Å; N36-L59 PolarHBondContact OD1-N 2.97Å; R39-L59 VanDerWaalsContact CZ-CD2 3.48Å; L57-L59 PolarHBondContact O-N 2.05Å; L59-T138 HydrophobicContact CD2-CG2 3.73Å; L59-T138 VanDerWaalsContact CD2-O 3.25Å; L59-T138 WeakPolarHBondContact CD2-O 2.92Å; L59-T139 WeakPolarHBondContact CA-O 3.49Å; L59-I141 HydrophobicContact CB-CB 4.33Å; L59-I141 HydrophobicContact CB-CG2 3.77Å; L59-I141 HydrophobicContact CD1-CB 3.95Å; L59-I141 HydrophobicContact CD1-CD1 4.17Å; L59-I141 HydrophobicContact CD1-CG2 4.11Å; L59-Y164 HydrophobicContact CD1-CD1 4.44Å
60	V	98.3	Very high	97.9	Very high	87 Å²	87	48 Å²	48	53%	0.527	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.5	173	-179.9	0	0	0	0	108.8	T139 H140 I141	V60-T139 PolarHBondContact N-O 2.94Å; V60-H140 CarbonylContact O-C 3.52Å; V60-H140 WeakPolarHBondContact O-CA 3.24Å; V60-I141 PolarHBondContact O-N 3.38Å
61	W	98.4	Very high	97.9	Very high	39 Å²	39	52.2 Å²	52.2	15%	0.148	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141.2	176.3	-171.4	-97.5	0	0	0	111.5	L24 Q28 L32 D63 A66 I141 C143	L24-W61 HydrophobicContact CD1-CD2 4.24Å; L24-W61 HydrophobicContact CD1-CE3 4.37Å; L24-W61 HydrophobicContact CD1-CG 4.44Å; L24-W61 HydrophobicContact CD2-CD2 3.64Å; L24-W61 HydrophobicContact CD2-CE3 4.37Å; L24-W61 HydrophobicContact CD2-CG 3.84Å; L24-W61 HydrophobicContact CD2-CH2 4.41Å; L24-W61 HydrophobicContact CD2-CZ2 3.68Å; L24-W61 VanDerWaalsContact CD2-NE1 3.3Å; Q28-W61 HydrophobicContact CB-CH2 3.56Å; Q28-W61 HydrophobicContact CB-CZ2 4.05Å; Q28-W61 HydrophobicContact CB-CZ3 4.21Å; Q28-W61 HydrophobicContact CG-CH2 3.61Å; Q28-W61 HydrophobicContact CG-CZ2 4Å; L32-W61 HydrophobicContact CB-CE3 4.2Å; L32-W61 HydrophobicContact CB-CZ3 4.47Å; L32-W61 HydrophobicContact CD1-CE3 4.49Å; L32-W61 HydrophobicContact CD2-CB 4.08Å; L32-W61 HydrophobicContact CD2-CE3 4.3Å; W61-D63 PolarHBondContact NE1-OD1 3.34Å; W61-A66 HydrophobicContact CH2-CB 4.04Å; W61-A66 HydrophobicContact CZ2-CB 3.25Å; W61-I141 CarbonylContact C-O 3.58Å; W61-I141 WeakPolarHBondContact CA-O 3.48Å; W61-I141 HydrophobicContact CE3-CG2 4.39Å; W61-C143 HydrophobicContact CH2-CB 4.01Å; W61-C143 HydrophobicContact CZ3-CB 4.22Å
62	D	97.9	Very high	98	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.064	25%	0.254	C	S	.	.			trans	-130.5	120.9	171.4	-169.5	-80.3	0	0	0	111.1	Q64 L65 A66 K87 F88 H140 I141	D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.18Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.35Å; D62-Q64 PolarHBondContact OD1-N 2.85Å; D62-Q64 VanDerWaalsContact OD1-N 3.09Å; D62-L65 HydrophobicContact CB-CB 4.27Å; D62-L65 HydrophobicContact CB-CD1 3.95Å; D62-L65 HydrophobicContact CB-CG 4.07Å; D62-L65 PolarHBondContact O-N 3.08Å; D62-L65 PolarHBondContact OD1-N 2.8Å; D62-A66 PolarHBondContact O-N 3Å; D62-A66 VanDerWaalsContact O-N 3.08Å; D62-K87 IonicContact OD2-NZ 3.06Å; D62-K87 PolarHBondContact OD2-NZ 3.48Å; D62-F88 HydrophobicContact CB-CE2 4.22Å; D62-F88 WeakPolarHBondContact OD2-CE2 3.27Å; D62-H140 HydrophobicContact CB-CB 4.11Å; D62-H140 IonicContact OD2-CD2 2.87Å; D62-I141 PolarHBondContact N-O 2.91Å
63	D	96.4	Very high	98	Very high	78 Å²	78	49.5 Å²	49.5	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-27.9	-173.5	-68.9	-30.7	0	0	0	113.3	W61 A66 L67	W61-D63 PolarHBondContact NE1-OD1 3.34Å; D63-A66 PolarHBondContact O-N 2.98Å; D63-L67 VanDerWaalsContact O-CB 3.28Å; D63-L67 WeakPolarHBondContact O-CB 3.37Å; D63-L67 PolarHBondContact O-N 3.46Å
64	Q	97	Very high	98	Very high	68 Å²	68	56.3 Å²	56.3	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-74.9	-39.4	177.9	-64.7	-66.2	-57.7	0	0	111.5	D62 A66 L67 K68 T85 Y86	D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.18Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.35Å; D62-Q64 PolarHBondContact OD1-N 2.85Å; D62-Q64 VanDerWaalsContact OD1-N 3.09Å; Q64-A66 VanDerWaalsContact C-N 3.28Å; Q64-A66 PolarHBondContact O-N 3.07Å; Q64-L67 PolarHBondContact O-N 3.34Å; Q64-K68 WeakPolarHBondContact O-CG 3.01Å; Q64-K68 PolarHBondContact O-N 3.18Å; Q64-K68 VanDerWaalsContact O-N 3.07Å; Q64-T85 HydrophobicContact CB-CG2 3.85Å; Q64-Y86 HydrophobicContact CG-CD1 4.02Å; Q64-Y86 HydrophobicContact CG-CE1 3.49Å; Q64-Y86 VanDerWaalsContact CG-CE1 3.49Å
65	L	98.5	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-42.6	171.8	-67.2	-179.4	0	0	0	110.7	D62 K68 A69 T85 F88 V91 H140 N163 A165	D62-L65 HydrophobicContact CB-CB 4.27Å; D62-L65 HydrophobicContact CB-CD1 3.95Å; D62-L65 HydrophobicContact CB-CG 4.07Å; D62-L65 PolarHBondContact O-N 3.08Å; D62-L65 PolarHBondContact OD1-N 2.8Å; L65-K68 PolarHBondContact O-N 2.92Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.11Å; L65-T85 HydrophobicContact CD2-CG2 3.86Å; L65-F88 HydrophobicContact CD1-CD2 4.06Å; L65-F88 HydrophobicContact CD1-CE2 4.01Å; L65-F88 HydrophobicContact CD2-CD2 3.98Å; L65-F88 HydrophobicContact CG-CD2 4Å; L65-F88 HydrophobicContact CG-CE2 4.23Å; L65-V91 HydrophobicContact CD2-CG1 3.94Å; L65-V91 HydrophobicContact CD2-CG2 3.97Å; L65-H140 HydrophobicContact CD1-CB 3.93Å; L65-N163 HydrophobicContact CB-CB 4.08Å; L65-N163 HydrophobicContact CD2-CB 4.1Å; L65-N163 PolarHBondContact O-ND2 2.99Å; L65-A165 HydrophobicContact CD1-CB 3.85Å; L65-A165 HydrophobicContact CD2-CB 4.44Å
66	A	98.4	Very high	98	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-39.8	179.1	0	0	0	0	0	113	W61 D62 D63 Q64 A69 T70	W61-A66 HydrophobicContact CH2-CB 4.04Å; W61-A66 HydrophobicContact CZ2-CB 3.25Å; D62-A66 PolarHBondContact O-N 3Å; D62-A66 VanDerWaalsContact O-N 3.08Å; D63-A66 PolarHBondContact O-N 2.98Å; Q64-A66 VanDerWaalsContact C-N 3.28Å; Q64-A66 PolarHBondContact O-N 3.07Å; A66-A69 PolarHBondContact O-N 3.28Å; A66-T70 WeakPolarHBondContact O-CB 3.36Å; A66-T70 PolarHBondContact O-N 2.85Å; A66-T70 PolarHBondContact O-OG1 3.06Å
67	L	97.1	Very high	98	Very high	82 Å²	82	48.8 Å²	48.8	43%	0.429	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-51.2	173.3	-178	74.2	0	0	0	110.2	D63 Q64 A69 T70 E71	D63-L67 VanDerWaalsContact O-CB 3.28Å; D63-L67 WeakPolarHBondContact O-CB 3.37Å; D63-L67 PolarHBondContact O-N 3.46Å; Q64-L67 PolarHBondContact O-N 3.34Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.99Å; L67-T70 PolarHBondContact O-N 2.83Å; L67-T70 VanDerWaalsContact O-N 3.16Å; L67-E71 WeakPolarHBondContact O-CG 3.29Å; L67-E71 PolarHBondContact O-N 3.1Å
68	K	98.1	Very high	97.9	Very high	69 Å²	69	48.7 Å²	48.7	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-37.4	178.4	-67.3	-69.9	161	-151	0	112.9	Q64 L65 T70 E71 L72 V83	Q64-K68 WeakPolarHBondContact O-CG 3.01Å; Q64-K68 PolarHBondContact O-N 3.18Å; Q64-K68 VanDerWaalsContact O-N 3.07Å; L65-K68 PolarHBondContact O-N 2.92Å; K68-T70 VanDerWaalsContact C-N 3.35Å; K68-E71 WeakPolarHBondContact CD-OE2 3Å; K68-E71 IonicContact NZ-OE1 3.39Å; K68-E71 PolarHBondContact NZ-OE1 2.87Å; K68-E71 IonicContact NZ-OE2 2.8Å; K68-E71 PolarHBondContact NZ-OE2 3.03Å; K68-L72 PolarHBondContact O-N 3.4Å; K68-V83 HydrophobicContact CB-CG1 3.86Å; K68-V83 HydrophobicContact CG-CG1 4.13Å
69	A	98.7	Very high	97.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-40.4	174.6	0	0	0	0	0	111.6	L65 A66 L67 L72 S73 G144 V161 N163	L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.11Å; A66-A69 PolarHBondContact O-N 3.28Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.99Å; A69-L72 PolarHBondContact O-N 3.41Å; A69-S73 WeakPolarHBondContact O-CB 3.38Å; A69-S73 PolarHBondContact O-N 2.85Å; A69-G144 VanDerWaalsContact CB-N 3.28Å; A69-V161 HydrophobicContact CB-CB 4.07Å; A69-V161 HydrophobicContact CB-CG1 3.77Å; A69-N163 WeakPolarHBondContact CA-ND2 3.16Å; A69-N163 WeakPolarHBondContact CB-ND2 3.22Å; A69-N163 PolarHBondContact N-ND2 2.69Å; A69-N163 VanDerWaalsContact N-ND2 3.14Å
70	T	98.2	Very high	97.7	Very high	32 Å²	32	57.7 Å²	57.7	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-39.4	178.2	-58.2	0	0	0	0	112	A66 L67 K68 L72 S73 K74 G144	A66-T70 WeakPolarHBondContact O-CB 3.36Å; A66-T70 PolarHBondContact O-N 2.85Å; A66-T70 PolarHBondContact O-OG1 3.06Å; L67-T70 PolarHBondContact O-N 2.83Å; L67-T70 VanDerWaalsContact O-N 3.16Å; K68-T70 VanDerWaalsContact C-N 3.35Å; T70-L72 VanDerWaalsContact C-N 3.3Å; T70-L72 PolarHBondContact O-N 3.42Å; T70-S73 WeakPolarHBondContact CA-OG 3.4Å; T70-S73 PolarHBondContact O-N 3.39Å; T70-S73 PolarHBondContact O-OG 2.88Å; T70-K74 HydrophobicContact CG2-CD 4.18Å; T70-K74 HydrophobicContact CG2-CG 4.44Å; T70-K74 WeakPolarHBondContact O-CB 3.42Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.35Å; T70-K74 PolarHBondContact O-N 2.68Å; T70-G144 WeakPolarHBondContact OG1-CA 3.03Å
71	E	98	Very high	97.6	Very high	93 Å²	93	55.6 Å²	55.6	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-56.3	-45.7	172.1	-75.6	173.2	-175.7	0	0	110.7	L67 K68	L67-E71 WeakPolarHBondContact O-CG 3.29Å; L67-E71 PolarHBondContact O-N 3.1Å; K68-E71 WeakPolarHBondContact CD-OE2 3Å; K68-E71 IonicContact NZ-OE1 3.39Å; K68-E71 PolarHBondContact NZ-OE1 2.87Å; K68-E71 IonicContact NZ-OE2 2.8Å; K68-E71 PolarHBondContact NZ-OE2 3.03Å
72	L	98.3	Very high	97.5	Very high	10 Å²	10	62 Å²	62	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-47.5	176.8	179.3	60.2	0	0	0	112.2	K68 A69 T70 K74 T75 R79 I95 F159 V161	K68-L72 PolarHBondContact O-N 3.4Å; A69-L72 PolarHBondContact O-N 3.41Å; T70-L72 VanDerWaalsContact C-N 3.3Å; T70-L72 PolarHBondContact O-N 3.42Å; L72-K74 PolarHBondContact O-N 2.96Å; L72-T75 WeakPolarHBondContact O-CB 3.09Å; L72-T75 WeakPolarHBondContact O-CG2 3.39Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 PolarHBondContact O-OG1 2.89Å; L72-R79 HydrophobicContact CD1-CG 4.36Å; L72-R79 WeakPolarHBondContact CD2-O 3.46Å; L72-I95 HydrophobicContact CD2-CG2 4.43Å; L72-F159 HydrophobicContact CG-CE1 4.27Å; L72-F159 HydrophobicContact CG-CZ 4.47Å; L72-V161 HydrophobicContact CB-CG2 4.33Å; L72-V161 HydrophobicContact CD2-CG1 3.92Å; L72-V161 HydrophobicContact CD2-CG2 3.96Å; L72-V161 HydrophobicContact CG-CG2 4.01Å
73	S	98.4	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-35.4	-176.7	72.2	0	0	0	0	111.9	A69 T70 T75 C76 T146 F159	A69-S73 WeakPolarHBondContact O-CB 3.38Å; A69-S73 PolarHBondContact O-N 2.85Å; T70-S73 WeakPolarHBondContact CA-OG 3.4Å; T70-S73 PolarHBondContact O-N 3.39Å; T70-S73 PolarHBondContact O-OG 2.88Å; S73-T75 PolarHBondContact O-N 3.09Å; S73-C76 PolarHBondContact O-N 3.29Å; S73-C76 VanDerWaalsContact O-N 3.16Å; S73-T146 WeakPolarHBondContact O-CB 3.21Å; S73-T146 PolarHBondContact OG-OG1 3.48Å; S73-F159 WeakPolarHBondContact O-CD1 3.48Å
74	K	98	Very high	97.4	Very high	145 Å²	145	62.1 Å²	62.1	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.2	176.5	-78.6	176.3	176.6	178.7	0	114.4	T70 L72 C76 T146	T70-K74 HydrophobicContact CG2-CD 4.18Å; T70-K74 HydrophobicContact CG2-CG 4.44Å; T70-K74 WeakPolarHBondContact O-CB 3.42Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.35Å; T70-K74 PolarHBondContact O-N 2.68Å; L72-K74 PolarHBondContact O-N 2.96Å; K74-C76 PolarHBondContact O-N 2.92Å; K74-T146 PolarHBondContact N-OG1 2.85Å
75	T	97.5	Very high	97.3	Very high	54 Å²	54	59.4 Å²	59.4	33%	0.331	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.2	177.9	69.4	0	0	0	0	112.8	L72 S73 N77 Q153	L72-T75 WeakPolarHBondContact O-CB 3.09Å; L72-T75 WeakPolarHBondContact O-CG2 3.39Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 PolarHBondContact O-OG1 2.89Å; S73-T75 PolarHBondContact O-N 3.09Å; T75-N77 PolarHBondContact O-N 3.27Å; T75-N77 VanDerWaalsContact O-N 3.13Å; T75-N77 PolarHBondContact OG1-N 2.84Å; T75-Q153 PolarHBondContact O-NE2 2.7Å
76	C	98	Very high	97.1	Very high	13 Å²	13	67.8 Å²	67.8	9%	0.088	33%	0.328	C	S	.	.			trans	45.5	43	-173.1	-63.2	0	0	0	0	111.9	S73 K74 C148 S151 Q153 F154	S73-C76 PolarHBondContact O-N 3.29Å; S73-C76 VanDerWaalsContact O-N 3.16Å; K74-C76 PolarHBondContact O-N 2.92Å; C76-C148 WeakPolarHBondContact CA-SG 3.15Å; C76-C148 HydrophobicContact CB-CB 3.64Å; C76-C148 WeakPolarHBondContact CB-SG 3.09Å; C76-C148 VanDerWaalsContact SG-CA 3.54Å; C76-C148 WeakPolarHBondContact SG-CB 3.33Å; C76-C148 CovalentContact SG-SG 2.03Å; C76-C148 PolarHBondContact SG-SG 3.06Å; C76-S151 WeakPolarHBondContact CB-OG 3.43Å; C76-Q153 WeakPolarHBondContact O-CG 3.35Å; C76-Q153 PolarHBondContact O-NE2 3.48Å; C76-Q153 VanDerWaalsContact O-NE2 3.12Å; C76-F154 HydrophobicContact CB-CB 4.12Å; C76-F154 HydrophobicContact CB-CG 4.5Å
77	N	97	Very high	97	Very high	65 Å²	65	72 Å²	72	35%	0.348	35%	0.346	S	S	.	.			trans	-128.8	113.7	179.1	-178.1	-6.8	0	0	0	107.3	T75 R79 F159	T75-N77 PolarHBondContact O-N 3.27Å; T75-N77 VanDerWaalsContact O-N 3.13Å; T75-N77 PolarHBondContact OG1-N 2.84Å; N77-R79 VanDerWaalsContact C-N 3.26Å; N77-R79 PolarHBondContact O-N 3.49Å; N77-F159 WeakPolarHBondContact O-CE1 3.4Å; N77-F159 WeakPolarHBondContact O-CZ 3.37Å
78	F	96.9	Very high	97	Very high	92 Å²	92	69.4 Å²	69.4	40%	0.404	33%	0.331	S	S	.	.			trans	-71.9	80.6	-174.1	-164.3	-85.7	0	0	0	110.7	I95 F154 Y156 F159	F78-I95 HydrophobicContact CD1-CD1 4Å; F78-I95 HydrophobicContact CE1-CD1 3.8Å; F78-I95 HydrophobicContact CE1-CG1 4.08Å; F78-I95 HydrophobicContact CE2-CD1 4.46Å; F78-I95 HydrophobicContact CE2-CG1 4.27Å; F78-I95 HydrophobicContact CG-CD1 4.42Å; F78-I95 HydrophobicContact CZ-CD1 4.04Å; F78-I95 HydrophobicContact CZ-CG1 3.85Å; F78-F154 HydrophobicContact CB-CD2 4.38Å; F78-F154 HydrophobicContact CB-CE2 3.96Å; F78-F154 AromaticContact CD2-CE2 3.84Å; F78-F154 HydrophobicContact CD2-CE2 3.84Å; F78-F154 HydrophobicContact CD2-CZ 4.12Å; F78-F154 HydrophobicContact CG-CE2 4.42Å; F78-Y156 HydrophobicContact CB-CE2 4.27Å; F78-Y156 HydrophobicContact CD2-CD2 4.4Å; F78-Y156 HydrophobicContact CD2-CE2 4.15Å; F78-Y156 HydrophobicContact CG-CE2 4.31Å; F78-F159 HydrophobicContact CD2-CD2 4.34Å; F78-F159 AromaticContact CD2-CE2 3.94Å; F78-F159 HydrophobicContact CD2-CE2 3.94Å; F78-F159 HydrophobicContact CE2-CE2 4.4Å
79	R	96.8	Very high	97	Very high	139 Å²	139	73.3 Å²	73.3	53%	0.525	35%	0.348	S	S	.	.			trans	-145.1	153.2	178.5	66.2	178.1	-178.5	169.3	0.5	110.7	L72 N77	L72-R79 HydrophobicContact CD1-CG 4.36Å; L72-R79 WeakPolarHBondContact CD2-O 3.46Å; N77-R79 VanDerWaalsContact C-N 3.26Å; N77-R79 PolarHBondContact O-N 3.49Å
80	F	96.8	Very high	96.9	Very high	128 Å²	128	76.5 Å²	76.5	56%	0.561	37%	0.365	S	S	*	.			trans	-74	161.9	168.3	-67.2	-84.6	0	0	0	111.3	Q93 I95	F80-Q93 HydrophobicContact CD1-CB 4.13Å; F80-Q93 HydrophobicContact CD1-CG 4.06Å; F80-Q93 WeakPolarHBondContact CE1-O 3.26Å; F80-I95 HydrophobicContact CD1-CD1 4.23Å; F80-I95 HydrophobicContact CD1-CG1 4.34Å; F80-I95 HydrophobicContact CD1-CG2 4.08Å; F80-I95 HydrophobicContact CD2-CD1 3.96Å; F80-I95 HydrophobicContact CE1-CD1 4.17Å; F80-I95 HydrophobicContact CE1-CG1 3.88Å; F80-I95 HydrophobicContact CE1-CG2 4.14Å; F80-I95 HydrophobicContact CE2-CD1 3.9Å; F80-I95 HydrophobicContact CE2-CG1 4.2Å; F80-I95 HydrophobicContact CG-CD1 4.13Å; F80-I95 HydrophobicContact CZ-CD1 4.01Å; F80-I95 HydrophobicContact CZ-CG1 3.81Å
81	S	95.8	Very high	96.9	Very high	43 Å²	43	76.3 Å²	76.3	30%	0.301	36%	0.364	S	S	.	.			trans	-129.8	152.5	169.8	67.7	0	0	0	0	111.9	V83 Q93	S81-V83 PolarHBondContact O-N 2.69Å; S81-V83 VanDerWaalsContact OG-CG2 3.32Å; S81-V83 WeakPolarHBondContact OG-CG2 3.46Å; S81-Q93 PolarHBondContact OG-NE2 3.37Å; S81-Q93 VanDerWaalsContact OG-NE2 3.15Å
82	N	95	Very high	96.9	Very high	175 Å²	175	72.4 Å²	72.4	94%	0.936	35%	0.349	S	S	*	.			trans	-77.3	108.4	169.5	-70.7	-10.7	0	0	0	108.7
83	V	96.3	Very high	97	Very high	13 Å²	13	73 Å²	73	8%	0.079	35%	0.351	C	S	.	.			trans	-103.5	127.3	-177.6	-175.6	0	0	0	0	110.2	K68 S81 V91	K68-V83 HydrophobicContact CB-CG1 3.86Å; K68-V83 HydrophobicContact CG-CG1 4.13Å; S81-V83 PolarHBondContact O-N 2.69Å; S81-V83 VanDerWaalsContact OG-CG2 3.32Å; S81-V83 WeakPolarHBondContact OG-CG2 3.46Å; V83-V91 HydrophobicContact CB-CB 4.05Å; V83-V91 HydrophobicContact CB-CG1 3.8Å; V83-V91 HydrophobicContact CG1-CB 4.22Å; V83-V91 HydrophobicContact CG1-CG1 3.79Å; V83-V91 HydrophobicContact CG1-CG2 4.3Å; V83-V91 WeakPolarHBondContact O-CB 3.18Å
84	T	96.2	Very high	97	Very high	79 Å²	79	73.2 Å²	73.2	49%	0.485	35%	0.352	S	S	.	.			trans	-135.9	153.6	161.6	62.7	0	0	0	0	108.5	F88	T84-F88 WeakPolarHBondContact CA-O 3.21Å
85	T	94.8	Very high	97	Very high	10 Å²	10	66.8 Å²	66.8	6%	0.061	33%	0.325	C	S	.	.			trans	-122.5	178.3	171.2	77.1	0	0	0	0	109.4	Q64 L65 K87 F88 K89	Q64-T85 HydrophobicContact CB-CG2 3.85Å; L65-T85 HydrophobicContact CD2-CG2 3.86Å; T85-K87 PolarHBondContact O-N 2.73Å; T85-K87 PolarHBondContact OG1-N 3Å; T85-K87 VanDerWaalsContact OG1-N 3.14Å; T85-F88 PolarHBondContact N-O 2.7Å; T85-F88 PolarHBondContact OG1-N 3.05Å; T85-K89 PolarHBondContact O-NZ 3.26Å
86	Y	95.1	Very high	97	Very high	176 Å²	176	64.4 Å²	64.4	69%	0.69	31%	0.31	S	S	*	.	S	Bend	trans	-62.5	-32.1	170.5	73.3	-100.3	0	0	0	111.3	Q64	Q64-Y86 HydrophobicContact CG-CD1 4.02Å; Q64-Y86 HydrophobicContact CG-CE1 3.49Å; Q64-Y86 VanDerWaalsContact CG-CE1 3.49Å
87	K	96.3	Very high	97	Very high	95 Å²	95	64.2 Å²	64.2	41%	0.413	31%	0.31	S	S	.	.	S	Bend	trans	-91.6	-31.7	-176.2	-172.5	177.9	168.8	-164.5	0	113.7	D62 T85 H140	D62-K87 IonicContact OD2-NZ 3.06Å; D62-K87 PolarHBondContact OD2-NZ 3.48Å; T85-K87 PolarHBondContact O-N 2.73Å; T85-K87 PolarHBondContact OG1-N 3Å; T85-K87 VanDerWaalsContact OG1-N 3.14Å; K87-H140 PolarHBondContact NZ-CD2 3.33Å; K87-H140 PolarHBondContact NZ-NE2 3.45Å
88	F	97.5	Very high	97.1	Very high	27 Å²	27	64.5 Å²	64.5	12%	0.118	31%	0.307	C	S	.	.			trans	-128.5	121.9	-171.2	-54.8	-60.3	0	0	0	111.9	D62 L65 T84 T85 V91 H140 A165	D62-F88 HydrophobicContact CB-CE2 4.22Å; D62-F88 WeakPolarHBondContact OD2-CE2 3.27Å; L65-F88 HydrophobicContact CD1-CD2 4.06Å; L65-F88 HydrophobicContact CD1-CE2 4.01Å; L65-F88 HydrophobicContact CD2-CD2 3.98Å; L65-F88 HydrophobicContact CG-CD2 4Å; L65-F88 HydrophobicContact CG-CE2 4.23Å; T84-F88 WeakPolarHBondContact CA-O 3.21Å; T85-F88 PolarHBondContact N-O 2.7Å; T85-F88 PolarHBondContact OG1-N 3.05Å; F88-V91 HydrophobicContact CB-CG2 3.89Å; F88-H140 AromaticContact CE1-ND1 3.96Å; F88-H140 HydrophobicContact CE2-CB 4.05Å; F88-H140 HydrophobicContact CZ-CB 3.82Å; F88-H140 AromaticContact CZ-CD2 3.82Å; F88-H140 AromaticContact CZ-CE1 3.87Å; F88-H140 AromaticContact CZ-CG 3.45Å; F88-H140 VanDerWaalsContact CZ-CG 3.45Å; F88-H140 AromaticContact CZ-ND1 3.49Å; F88-H140 WeakPolarHBondContact CZ-ND1 3.33Å; F88-A165 HydrophobicContact CB-CB 3.8Å; F88-A165 HydrophobicContact CD1-CB 3.51Å; F88-A165 HydrophobicContact CD2-CB 3.61Å; F88-A165 HydrophobicContact CE1-CB 3.87Å; F88-A165 HydrophobicContact CE2-CB 3.95Å; F88-A165 HydrophobicContact CG-CB 3.36Å; F88-A165 HydrophobicContact CZ-CB 4.07Å
89	K	96.8	Very high	97.1	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	32%	0.316	S	S	*	.	S	Bend	trans	-98.1	-25	175.6	-57.2	-53.9	-178.9	-165.3	0	113.5	T85	T85-K89 PolarHBondContact O-NZ 3.26Å
90	D	97.1	Very high	97.1	Very high	67 Å²	67	59.7 Å²	59.7	36%	0.358	31%	0.306	S	S	.	.	S	Bend	trans	-107.1	104.2	176.5	-176.3	25.1	0	0	0	108.5	P166 G167 K169	D90-P166 WeakPolarHBondContact O-CA 3.38Å; D90-G167 PolarHBondContact O-N 3.43Å; D90-K169 IonicContact OD1-NZ 2.78Å; D90-K169 PolarHBondContact OD1-NZ 2.8Å; D90-K169 WeakPolarHBondContact OD2-CE 3.37Å; D90-K169 IonicContact OD2-NZ 2.79Å; D90-K169 PolarHBondContact OD2-NZ 3.26Å
91	V	98.5	Very high	97.1	Very high	27 Å²	27	53.7 Å²	53.7	16%	0.164	28%	0.28	C	S	.	.			trans	-126.7	121.6	-176.4	-179.4	0	0	0	0	109.3	L65 V83 F88 N163 Y164	L65-V91 HydrophobicContact CD2-CG1 3.94Å; L65-V91 HydrophobicContact CD2-CG2 3.97Å; V83-V91 HydrophobicContact CB-CB 4.05Å; V83-V91 HydrophobicContact CB-CG1 3.8Å; V83-V91 HydrophobicContact CG1-CB 4.22Å; V83-V91 HydrophobicContact CG1-CG1 3.79Å; V83-V91 HydrophobicContact CG1-CG2 4.3Å; V83-V91 WeakPolarHBondContact O-CB 3.18Å; F88-V91 HydrophobicContact CB-CG2 3.89Å; V91-N163 HydrophobicContact CG1-CB 3.8Å; V91-Y164 CarbonylContact C-O 3.53Å; V91-Y164 VanDerWaalsContact CA-O 3.28Å; V91-Y164 WeakPolarHBondContact CA-O 3.37Å
92	G	98.5	Very high	97.2	Very high	12 Å²	12	54.9 Å²	54.9	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	161.4	168.5	0	0	0	0	0	110.9	N163 Y164 G167	G92-N163 CarbonylContact O-C 3.48Å; G92-N163 WeakPolarHBondContact O-CA 3.08Å; G92-Y164 PolarHBondContact N-O 3.14Å; G92-Y164 PolarHBondContact O-N 2.04Å; G92-G167 VanDerWaalsContact N-CA 3.26Å
93	Q	98.7	Very high	97.3	Very high	23 Å²	23	48.9 Å²	48.9	11%	0.107	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	132.7	-177.4	-174.6	172.5	89.6	0	0	110.6	F80 S81 I95 V161 C162 N163	F80-Q93 HydrophobicContact CD1-CB 4.13Å; F80-Q93 HydrophobicContact CD1-CG 4.06Å; F80-Q93 WeakPolarHBondContact CE1-O 3.26Å; S81-Q93 PolarHBondContact OG-NE2 3.37Å; S81-Q93 VanDerWaalsContact OG-NE2 3.15Å; Q93-I95 HydrophobicContact CG-CG2 3.83Å; Q93-V161 HydrophobicContact CG-CG1 4.09Å; Q93-C162 VanDerWaalsContact CA-O 3.31Å; Q93-C162 WeakPolarHBondContact CA-O 3.46Å; Q93-N163 WeakPolarHBondContact CG-OD1 3.36Å; Q93-N163 PolarHBondContact NE2-OD1 3.48Å
94	N	98.7	Very high	97.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.9	163.7	-67.9	2.6	0	0	0	107.9	W108 N129 Q132 V161 C162 Y164	N94-W108 HydrophobicContact CB-CD2 4.12Å; N94-W108 HydrophobicContact CB-CE3 4.31Å; N94-W108 HydrophobicContact CB-CH2 3.7Å; N94-W108 HydrophobicContact CB-CZ2 3.47Å; N94-W108 VanDerWaalsContact CB-CZ2 3.47Å; N94-W108 HydrophobicContact CB-CZ3 4.11Å; N94-N129 WeakPolarHBondContact ND2-CA 3.42Å; N94-N129 PolarHBondContact ND2-O 2.8Å; N94-N129 VanDerWaalsContact ND2-O 3.07Å; N94-Q132 WeakPolarHBondContact OD1-CB 3.2Å; N94-V161 WeakPolarHBondContact O-CA 3.28Å; N94-C162 PolarHBondContact N-O 2.88Å; N94-C162 PolarHBondContact O-N 3.48Å; N94-Y164 HydrophobicContact CB-CE2 3.8Å; N94-Y164 PolarHBondContact ND2-OH 3.38Å
95	I	98.6	Very high	97.4	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.6	175	70.1	175.7	0	0	0	110.3	L72 F78 F80 Q93 W108 F159 V160 V161	L72-I95 HydrophobicContact CD2-CG2 4.43Å; F78-I95 HydrophobicContact CD1-CD1 4Å; F78-I95 HydrophobicContact CE1-CD1 3.8Å; F78-I95 HydrophobicContact CE1-CG1 4.08Å; F78-I95 HydrophobicContact CE2-CD1 4.46Å; F78-I95 HydrophobicContact CE2-CG1 4.27Å; F78-I95 HydrophobicContact CG-CD1 4.42Å; F78-I95 HydrophobicContact CZ-CD1 4.04Å; F78-I95 HydrophobicContact CZ-CG1 3.85Å; F80-I95 HydrophobicContact CD1-CD1 4.23Å; F80-I95 HydrophobicContact CD1-CG1 4.34Å; F80-I95 HydrophobicContact CD1-CG2 4.08Å; F80-I95 HydrophobicContact CD2-CD1 3.96Å; F80-I95 HydrophobicContact CE1-CD1 4.17Å; F80-I95 HydrophobicContact CE1-CG1 3.88Å; F80-I95 HydrophobicContact CE1-CG2 4.14Å; F80-I95 HydrophobicContact CE2-CD1 3.9Å; F80-I95 HydrophobicContact CE2-CG1 4.2Å; F80-I95 HydrophobicContact CG-CD1 4.13Å; F80-I95 HydrophobicContact CZ-CD1 4.01Å; F80-I95 HydrophobicContact CZ-CG1 3.81Å; Q93-I95 HydrophobicContact CG-CG2 3.83Å; I95-W108 PolarHBondContact O-NE1 3.1Å; I95-F159 HydrophobicContact CB-CE2 3.94Å; I95-F159 HydrophobicContact CB-CZ 4.42Å; I95-F159 HydrophobicContact CG2-CE2 4.49Å; I95-V160 CarbonylContact C-O 3.56Å; I95-V160 WeakPolarHBondContact CA-O 3.34Å; I95-V161 HydrophobicContact CG2-CG1 4.3Å; I95-V161 HydrophobicContact CG2-CG2 4.14Å
96	A	98.1	Very high	97.5	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.4	-178.2	0	0	0	0	0	112	Y98 A104 W108 F159 V160	A96-Y98 HydrophobicContact CB-CD2 3.9Å; A96-Y98 HydrophobicContact CB-CE2 3.98Å; A96-A104 HydrophobicContact CB-CB 3.76Å; A96-W108 HydrophobicContact CB-CH2 4.49Å; A96-W108 HydrophobicContact CB-CZ2 3.51Å; A96-F159 WeakPolarHBondContact O-CD2 3.28Å; A96-V160 HydrophobicContact CB-CB 4.38Å; A96-V160 PolarHBondContact N-O 3.19Å; A96-V160 PolarHBondContact O-N 2.98Å
97	G	98	Very high	97.6	Very high	9 Å²	9	44 Å²	44	9%	0.093	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.4	175.1	0	0	0	0	0	108.4	Y156 V158	G97-Y156 WeakPolarHBondContact O-CB 3.36Å; G97-V158 WeakPolarHBondContact CA-O 3.28Å
98	Y	97.7	Very high	97.6	Very high	72 Å²	72	39.7 Å²	39.7	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	176.3	-179.2	-71.8	-82.1	0	0	0	110.9	A96 N100 T103 A104 E107 Y156 G157 V158	A96-Y98 HydrophobicContact CB-CD2 3.9Å; A96-Y98 HydrophobicContact CB-CE2 3.98Å; Y98-N100 PolarHBondContact O-N 3.38Å; Y98-T103 HydrophobicContact CD1-CG2 3.6Å; Y98-T103 HydrophobicContact CE1-CG2 4.3Å; Y98-T103 HydrophobicContact CG-CG2 3.94Å; Y98-A104 HydrophobicContact CD2-CB 3.83Å; Y98-E107 HydrophobicContact CD1-CG 4.33Å; Y98-E107 HydrophobicContact CE1-CB 4.35Å; Y98-E107 HydrophobicContact CE1-CG 3.58Å; Y98-E107 HydrophobicContact CE2-CB 3.94Å; Y98-E107 HydrophobicContact CE2-CG 4.04Å; Y98-E107 VanDerWaalsContact CZ-CG 3.41Å; Y98-E107 WeakPolarHBondContact OH-CB 3.29Å; Y98-E107 WeakPolarHBondContact OH-CG 3.47Å; Y98-E107 PolarHBondContact OH-OE2 3.4Å; Y98-Y156 CarbonylContact C-O 3.18Å; Y98-G157 CarbonylContact O-C 3.54Å; Y98-G157 WeakPolarHBondContact O-CA 3.18Å; Y98-V158 PolarHBondContact N-O 3.1Å; Y98-V158 WeakPolarHBondContact O-CG2 3.29Å; Y98-V158 PolarHBondContact O-N 3.48Å
99	A	97	Very high	97.6	Very high	72 Å²	72	39.3 Å²	39.3	60%	0.595	21%	0.211	S	C	*	.	S	Bend	trans	-60.2	-31.3	178.9	0	0	0	0	0	113.7
100	N	97	Very high	97.6	Very high	57 Å²	57	35 Å²	35	31%	0.305	20%	0.195	S	C	.	.	S	Bend	trans	-159.7	173	-179.8	58.9	61.2	0	0	0	111.3	Y98 Q102 T103 A104	Y98-N100 PolarHBondContact O-N 3.38Å; N100-Q102 VanDerWaalsContact C-N 3.3Å; N100-Q102 PolarHBondContact O-N 2.83Å; N100-Q102 WeakPolarHBondContact OD1-CA 3.31Å; N100-Q102 VanDerWaalsContact OD1-CB 3.31Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.18Å; N100-Q102 PolarHBondContact OD1-N 3.17Å; N100-Q102 PolarHBondContact OD1-OE1 3.06Å; N100-Q102 VanDerWaalsContact OD1-OE1 3.09Å; N100-T103 PolarHBondContact OD1-N 3.09Å; N100-T103 PolarHBondContact OD1-OG1 3.05Å; N100-A104 PolarHBondContact O-N 2.93Å
101	V	97.3	Very high	97.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-24.4	-178.8	-61.4	0	0	0	0	113.9	D27 Y30 L31 M105 V145 V160	D27-V101 HydrophobicContact CB-CG1 3.94Å; D27-V101 HydrophobicContact CB-CG2 4.32Å; Y30-V101 HydrophobicContact CD1-CB 4.33Å; Y30-V101 HydrophobicContact CD1-CG2 3.65Å; Y30-V101 HydrophobicContact CE1-CG2 4.11Å; Y30-V101 HydrophobicContact CG-CG2 4.35Å; L31-V101 HydrophobicContact CD2-CB 4.41Å; V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 PolarHBondContact O-N 2.87Å; V101-V145 HydrophobicContact CG1-CB 4.47Å; V101-V145 HydrophobicContact CG1-CG1 3.74Å; V101-V145 HydrophobicContact CG1-CG2 3.89Å; V101-V160 HydrophobicContact CG1-CG2 3.97Å
102	Q	97.8	Very high	97.5	Very high	69 Å²	69	33.7 Å²	33.7	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-67.8	-50.9	177.2	-63.4	67.3	24.4	0	0	109.8	Y30 N100 A104 M105 D106	Y30-Q102 HydrophobicContact CE1-CB 4.49Å; Y30-Q102 HydrophobicContact CE1-CG 4.1Å; Y30-Q102 HydrophobicContact CE2-CG 3.97Å; N100-Q102 VanDerWaalsContact C-N 3.3Å; N100-Q102 PolarHBondContact O-N 2.83Å; N100-Q102 WeakPolarHBondContact OD1-CA 3.31Å; N100-Q102 VanDerWaalsContact OD1-CB 3.31Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.18Å; N100-Q102 PolarHBondContact OD1-N 3.17Å; N100-Q102 PolarHBondContact OD1-OE1 3.06Å; N100-Q102 VanDerWaalsContact OD1-OE1 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-A104 PolarHBondContact O-N 3.38Å; Q102-M105 PolarHBondContact O-N 3.23Å; Q102-M105 VanDerWaalsContact O-N 3.16Å; Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 2.81Å
103	T	97.3	Very high	97.3	Very high	48 Å²	48	38.5 Å²	38.5	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-42.4	176.6	-52.7	0	0	0	0	111.4	Y98 N100 M105 D106 E107	Y98-T103 HydrophobicContact CD1-CG2 3.6Å; Y98-T103 HydrophobicContact CE1-CG2 4.3Å; Y98-T103 HydrophobicContact CG-CG2 3.94Å; N100-T103 PolarHBondContact OD1-N 3.09Å; N100-T103 PolarHBondContact OD1-OG1 3.05Å; T103-M105 VanDerWaalsContact C-N 3.34Å; T103-M105 PolarHBondContact O-N 2.79Å; T103-D106 PolarHBondContact O-N 2.92Å; T103-E107 HydrophobicContact CG2-CG 4.31Å; T103-E107 WeakPolarHBondContact O-CB 3.33Å; T103-E107 WeakPolarHBondContact O-CG 3.48Å; T103-E107 PolarHBondContact O-N 3.46Å
104	A	97	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-43.8	175.6	0	0	0	0	0	112.7	A96 Y98 N100 Q102 W108 V160	A96-A104 HydrophobicContact CB-CB 3.76Å; Y98-A104 HydrophobicContact CD2-CB 3.83Å; N100-A104 PolarHBondContact O-N 2.93Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-A104 PolarHBondContact O-N 3.38Å; A104-W108 PolarHBondContact O-N 3.14Å; A104-W108 VanDerWaalsContact O-N 3.14Å; A104-V160 HydrophobicContact CB-CB 4.37Å; A104-V160 HydrophobicContact CB-CG2 3.95Å
105	M	97.8	Very high	97.2	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-44.6	177.6	-171.3	72.5	-156.9	0	0	111.7	Y30 L31 A34 H35 I38 V101 Q102 T103 E107 W108 V109 I133	Y30-M105 HydrophobicContact CE1-CB 4.21Å; L31-M105 HydrophobicContact CD2-SD 4.46Å; A34-M105 HydrophobicContact CB-CE 4.14Å; A34-M105 HydrophobicContact CB-CG 3.76Å; A34-M105 HydrophobicContact CB-SD 3.97Å; H35-M105 VanDerWaalsContact CE1-SD 3.53Å; I38-M105 HydrophobicContact CG1-CE 4.09Å; V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 PolarHBondContact O-N 2.87Å; Q102-M105 PolarHBondContact O-N 3.23Å; Q102-M105 VanDerWaalsContact O-N 3.16Å; T103-M105 VanDerWaalsContact C-N 3.34Å; T103-M105 PolarHBondContact O-N 2.79Å; M105-E107 VanDerWaalsContact C-N 3.3Å; M105-E107 PolarHBondContact O-N 3.12Å; M105-W108 PolarHBondContact O-N 3.45Å; M105-W108 HydrophobicContact SD-CE3 4.38Å; M105-V109 HydrophobicContact CE-CG2 3.63Å; M105-V109 HydrophobicContact CG-CG2 4.42Å; M105-V109 VanDerWaalsContact O-CG2 3.24Å; M105-V109 WeakPolarHBondContact O-CG2 3.31Å; M105-V109 PolarHBondContact O-N 2.81Å; M105-I133 HydrophobicContact CE-CD1 3.8Å; M105-I133 HydrophobicContact CE-CG1 4.45Å; M105-I133 HydrophobicContact CE-CG2 4.33Å
106	D	96.7	Very high	97.1	Very high	86 Å²	86	42.2 Å²	42.2	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-42.7	179.6	-70.3	-21	0	0	0	110.9	Q102 T103 V109 N110	Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 2.81Å; T103-D106 PolarHBondContact O-N 2.92Å; D106-V109 PolarHBondContact O-N 3.37Å; D106-N110 VanDerWaalsContact O-CB 3.28Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.99Å; D106-N110 PolarHBondContact O-ND2 3.49Å; D106-N110 VanDerWaalsContact O-ND2 3.14Å
107	E	96.4	Very high	97.1	Very high	86 Å²	86	42.4 Å²	42.4	40%	0.402	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-44.7	178.4	-69.3	-80.5	130.4	0	0	112.1	Y98 T103 M105 V109 N110	Y98-E107 HydrophobicContact CD1-CG 4.33Å; Y98-E107 HydrophobicContact CE1-CB 4.35Å; Y98-E107 HydrophobicContact CE1-CG 3.58Å; Y98-E107 HydrophobicContact CE2-CB 3.94Å; Y98-E107 HydrophobicContact CE2-CG 4.04Å; Y98-E107 VanDerWaalsContact CZ-CG 3.41Å; Y98-E107 WeakPolarHBondContact OH-CB 3.29Å; Y98-E107 WeakPolarHBondContact OH-CG 3.47Å; Y98-E107 PolarHBondContact OH-OE2 3.4Å; T103-E107 HydrophobicContact CG2-CG 4.31Å; T103-E107 WeakPolarHBondContact O-CB 3.33Å; T103-E107 WeakPolarHBondContact O-CG 3.48Å; T103-E107 PolarHBondContact O-N 3.46Å; M105-E107 VanDerWaalsContact C-N 3.3Å; M105-E107 PolarHBondContact O-N 3.12Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.01Å; E107-N110 PolarHBondContact O-N 3.34Å
108	W	98.1	Very high	97	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-35.9	173.2	-71.2	-17	0	0	0	113.2	N94 I95 A96 A104 M105 N129 Y130 I133 V160 C162	N94-W108 HydrophobicContact CB-CD2 4.12Å; N94-W108 HydrophobicContact CB-CE3 4.31Å; N94-W108 HydrophobicContact CB-CH2 3.7Å; N94-W108 HydrophobicContact CB-CZ2 3.47Å; N94-W108 VanDerWaalsContact CB-CZ2 3.47Å; N94-W108 HydrophobicContact CB-CZ3 4.11Å; I95-W108 PolarHBondContact O-NE1 3.1Å; A96-W108 HydrophobicContact CB-CH2 4.49Å; A96-W108 HydrophobicContact CB-CZ2 3.51Å; A104-W108 PolarHBondContact O-N 3.14Å; A104-W108 VanDerWaalsContact O-N 3.14Å; M105-W108 PolarHBondContact O-N 3.45Å; M105-W108 HydrophobicContact SD-CE3 4.38Å; W108-N129 HydrophobicContact CB-CB 3.77Å; W108-N129 HydrophobicContact CD2-CB 4.41Å; W108-N129 HydrophobicContact CG-CB 3.6Å; W108-N129 PolarHBondContact NE1-OD1 2.98Å; W108-Y130 WeakPolarHBondContact O-CA 3.38Å; W108-Y130 WeakPolarHBondContact O-CB 3.38Å; W108-Y130 PolarHBondContact O-N 3.25Å; W108-I133 HydrophobicContact CB-CD1 3.73Å; W108-I133 HydrophobicContact CE3-CD1 4.45Å; W108-V160 HydrophobicContact CH2-CG1 3.84Å; W108-V160 HydrophobicContact CZ3-CG1 4.42Å; W108-C162 HydrophobicContact CH2-CB 4.15Å; W108-C162 HydrophobicContact CZ3-CB 4.24Å
109	V	96.7	Very high	96.9	Very high	19 Å²	19	46 Å²	46	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-73.1	-45.8	179.4	172	0	0	0	0	110.5	I38 M105 D106 E107 E111 Y112 I133	I38-V109 HydrophobicContact CD1-CB 4.49Å; I38-V109 HydrophobicContact CD1-CG1 3.75Å; I38-V109 HydrophobicContact CD1-CG2 3.87Å; I38-V109 HydrophobicContact CG1-CG1 4.34Å; I38-V109 HydrophobicContact CG1-CG2 3.65Å; I38-V109 HydrophobicContact CG2-CG2 4.49Å; M105-V109 HydrophobicContact CE-CG2 3.63Å; M105-V109 HydrophobicContact CG-CG2 4.42Å; M105-V109 VanDerWaalsContact O-CG2 3.24Å; M105-V109 WeakPolarHBondContact O-CG2 3.31Å; M105-V109 PolarHBondContact O-N 2.81Å; D106-V109 PolarHBondContact O-N 3.37Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.01Å; V109-E111 PolarHBondContact O-N 3.02Å; V109-Y112 HydrophobicContact CG1-CD1 4.4Å; V109-Y112 WeakPolarHBondContact O-CB 3.42Å; V109-Y112 WeakPolarHBondContact O-CD1 3.25Å; V109-Y112 PolarHBondContact O-N 3.12Å; V109-I133 HydrophobicContact CG2-CD1 4.28Å
110	N	96.1	Very high	96.9	Very high	62 Å²	62	44.4 Å²	44.4	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-58.9	-18.7	-176.3	-76.4	-25.7	0	0	0	113.7	D106 E107 Y112 Q113	D106-N110 VanDerWaalsContact O-CB 3.28Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.99Å; D106-N110 PolarHBondContact O-ND2 3.49Å; D106-N110 VanDerWaalsContact O-ND2 3.14Å; E107-N110 PolarHBondContact O-N 3.34Å; N110-Y112 PolarHBondContact O-N 2.99Å; N110-Q113 WeakPolarHBondContact O-CB 3.42Å; N110-Q113 WeakPolarHBondContact O-CG 3.35Å; N110-Q113 PolarHBondContact O-N 3.2Å; N110-Q113 VanDerWaalsContact O-N 3.1Å
111	E	97.3	Very high	96.9	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.07	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-54.7	-18.6	167.7	-78.4	-168.5	174.5	0	0	114.4	V109 Q113 Y114 Y115 S126 C127 G128 N129 Y130	V109-E111 PolarHBondContact O-N 3.02Å; E111-Q113 PolarHBondContact O-N 3.24Å; E111-Q113 VanDerWaalsContact O-N 3.1Å; E111-Y114 HydrophobicContact CB-CD2 4.49Å; E111-Y114 HydrophobicContact CG-CD2 4.44Å; E111-Y114 PolarHBondContact O-N 3.07Å; E111-Y115 PolarHBondContact O-N 2.88Å; E111-S126 VanDerWaalsContact CD-O 3.3Å; E111-S126 VanDerWaalsContact CG-O 3.3Å; E111-S126 WeakPolarHBondContact CG-O 3.36Å; E111-S126 PolarHBondContact OE1-OG 3.04Å; E111-S126 VanDerWaalsContact OE1-OG 3.08Å; E111-C127 HydrophobicContact CB-CB 4.4Å; E111-C127 WeakPolarHBondContact OE2-CA 3.46Å; E111-G128 PolarHBondContact OE2-N 3.18Å; E111-N129 PolarHBondContact OE1-ND2 3.5Å; E111-N129 WeakPolarHBondContact OE2-CA 3.36Å; E111-N129 VanDerWaalsContact OE2-CB 3.23Å; E111-N129 WeakPolarHBondContact OE2-CB 3.31Å; E111-N129 PolarHBondContact OE2-N 3.32Å; E111-Y130 PolarHBondContact OE2-N 3.08Å; E111-Y130 VanDerWaalsContact OE2-N 3.16Å
112	Y	95.7	Very high	96.9	Very high	50 Å²	50	47.2 Å²	47.2	20%	0.196	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54.9	-28	172.6	84.2	-99.1	0	0	0	112.7	I47 T48 Q50 V109 N110 Y114 Y115	I47-Y112 HydrophobicContact CG2-CD1 4.33Å; I47-Y112 HydrophobicContact CG2-CD2 3.66Å; I47-Y112 HydrophobicContact CG2-CE2 4.29Å; I47-Y112 HydrophobicContact CG2-CG 3.72Å; T48-Y112 WeakPolarHBondContact O-CD2 3.26Å; T48-Y112 VanDerWaalsContact O-CE2 3.23Å; T48-Y112 WeakPolarHBondContact O-CE2 3.43Å; Q50-Y112 HydrophobicContact CG-CD2 4.36Å; Q50-Y112 PolarHBondContact NE2-O 3.12Å; V109-Y112 HydrophobicContact CG1-CD1 4.4Å; V109-Y112 WeakPolarHBondContact O-CB 3.42Å; V109-Y112 WeakPolarHBondContact O-CD1 3.25Å; V109-Y112 PolarHBondContact O-N 3.12Å; N110-Y112 PolarHBondContact O-N 2.99Å; Y112-Y114 PolarHBondContact O-N 3.36Å; Y112-Y115 PolarHBondContact O-N 2.88Å
113	Q	95.6	Very high	96.7	Very high	113 Å²	113	48.8 Å²	48.8	53%	0.528	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-70.6	-20.6	-179.9	-60.4	175.6	15.5	0	0	112.2	N110 E111	N110-Q113 WeakPolarHBondContact O-CB 3.42Å; N110-Q113 WeakPolarHBondContact O-CG 3.35Å; N110-Q113 PolarHBondContact O-N 3.2Å; N110-Q113 VanDerWaalsContact O-N 3.1Å; E111-Q113 PolarHBondContact O-N 3.24Å; E111-Q113 VanDerWaalsContact O-N 3.1Å
114	Y	96.7	Very high	96.3	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.204	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-12	-177.7	-49.8	-46	0	0	0	112.6	E111 Y112 C122 N123 S124 K125	E111-Y114 HydrophobicContact CB-CD2 4.49Å; E111-Y114 HydrophobicContact CG-CD2 4.44Å; E111-Y114 PolarHBondContact O-N 3.07Å; Y112-Y114 PolarHBondContact O-N 3.36Å; Y114-C122 CarbonylContact O-C 3.54Å; Y114-C122 WeakPolarHBondContact O-CA 3.45Å; Y114-N123 PolarHBondContact O-N 2.96Å; Y114-S124 WeakPolarHBondContact CD1-OG 3.35Å; Y114-K125 HydrophobicContact CD1-CB 4.44Å; Y114-K125 HydrophobicContact CD2-CB 3.63Å; Y114-K125 HydrophobicContact CD2-CD 4.32Å; Y114-K125 HydrophobicContact CD2-CG 4.31Å; Y114-K125 HydrophobicContact CE1-CD 4.27Å; Y114-K125 HydrophobicContact CE1-CG 4.37Å; Y114-K125 HydrophobicContact CE2-CB 3.84Å; Y114-K125 HydrophobicContact CE2-CD 3.65Å; Y114-K125 HydrophobicContact CE2-CG 4.11Å; Y114-K125 HydrophobicContact CG-CB 3.94Å; Y114-K125 PolarHBondContact OH-NZ 3.47Å; Y114-K125 VanDerWaalsContact OH-NZ 3.11Å
115	Y	97.8	Very high	96.1	Very high	8 Å²	8	56.7 Å²	56.7	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.2	-179.8	-179	-122.2	0	0	0	111.7	Q50 E111 Y112 F117 N120 T121 C127 Y130 L131 P174	Q50-Y115 PolarHBondContact NE2-O 3.34Å; E111-Y115 PolarHBondContact O-N 2.88Å; Y112-Y115 PolarHBondContact O-N 2.88Å; Y115-F117 HydrophobicContact CE1-CB 3.96Å; Y115-F117 AromaticContact CE1-CD2 3.69Å; Y115-F117 HydrophobicContact CE1-CD2 3.69Å; Y115-F117 HydrophobicContact CE1-CG 4.13Å; Y115-N120 WeakPolarHBondContact CE2-OD1 3.49Å; Y115-N120 PolarHBondContact OH-OD1 3.42Å; Y115-T121 WeakPolarHBondContact CD2-O 3.43Å; Y115-C127 WeakPolarHBondContact CD2-SG 3.29Å; Y115-Y130 HydrophobicContact CD1-CE1 4.08Å; Y115-L131 HydrophobicContact CD1-CD2 3.74Å; Y115-L131 HydrophobicContact CD2-CD1 4.08Å; Y115-L131 HydrophobicContact CD2-CD2 3.85Å; Y115-L131 HydrophobicContact CD2-CG 4.32Å; Y115-L131 HydrophobicContact CE1-CD2 3.59Å; Y115-L131 HydrophobicContact CE2-CD1 4.01Å; Y115-L131 HydrophobicContact CE2-CD2 3.72Å; Y115-L131 HydrophobicContact CE2-CG 4.42Å; Y115-L131 HydrophobicContact CG-CD2 3.85Å; Y115-P174 HydrophobicContact CE1-CG 3.98Å; Y115-P174 WeakPolarHBondContact OH-CD 3.44Å
116	D	97.2	Very high	96	Very high	56 Å²	56	60.3 Å²	60.3	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.5	165	-172.9	-25.8	0	0	0	109.4	D118 S119 N120 T121	D116-D118 PolarHBondContact OD1-N 2.94Å; D116-S119 VanDerWaalsContact CB-OG 3.32Å; D116-S119 WeakPolarHBondContact CB-OG 3.47Å; D116-S119 VanDerWaalsContact CG-OG 3.29Å; D116-S119 PolarHBondContact OD1-N 3.35Å; D116-N120 VanDerWaalsContact O-CA 3.25Å; D116-N120 WeakPolarHBondContact O-CA 3.39Å; D116-N120 PolarHBondContact O-N 3.42Å; D116-T121 PolarHBondContact N-O 2.99Å; D116-T121 PolarHBondContact O-N 3.14Å; D116-T121 VanDerWaalsContact O-N 3.16Å
117	F	97.5	Very high	96	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.026	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-35.4	-178.4	-165.4	-75.3	0	0	0	112.9	P51 Y115 N120 P174 Y175 V177	P51-F117 HydrophobicContact CG-CB 3.9Å; P51-F117 HydrophobicContact CG-CD1 3.59Å; P51-F117 HydrophobicContact CG-CD2 3.41Å; P51-F117 VanDerWaalsContact CG-CD2 3.41Å; P51-F117 HydrophobicContact CG-CE1 3.95Å; P51-F117 HydrophobicContact CG-CE2 3.81Å; P51-F117 HydrophobicContact CG-CG 3.33Å; P51-F117 HydrophobicContact CG-CZ 4.06Å; Y115-F117 HydrophobicContact CE1-CB 3.96Å; Y115-F117 AromaticContact CE1-CD2 3.69Å; Y115-F117 HydrophobicContact CE1-CD2 3.69Å; Y115-F117 HydrophobicContact CE1-CG 4.13Å; F117-N120 PolarHBondContact O-N 3.16Å; F117-P174 HydrophobicContact CD2-CG 4.38Å; F117-P174 HydrophobicContact CE2-CG 3.93Å; F117-Y175 HydrophobicContact CD2-CE2 4.13Å; F117-Y175 AromaticContact CE2-CD2 3.78Å; F117-Y175 HydrophobicContact CE2-CD2 3.78Å; F117-Y175 HydrophobicContact CE2-CE1 4.18Å; F117-Y175 AromaticContact CE2-CE2 3.35Å; F117-Y175 HydrophobicContact CE2-CE2 3.35Å; F117-Y175 HydrophobicContact CE2-CG 4.38Å; F117-Y175 AromaticContact CE2-CZ 3.56Å; F117-Y175 HydrophobicContact CZ-CD2 4.12Å; F117-Y175 HydrophobicContact CZ-CE2 4Å; F117-Y175 WeakPolarHBondContact CZ-O 3.46Å; F117-V177 HydrophobicContact CD1-CG1 4.36Å; F117-V177 HydrophobicContact CE1-CG1 3.5Å; F117-V177 VanDerWaalsContact CE1-CG1 3.5Å; F117-V177 HydrophobicContact CE2-CG1 4.01Å; F117-V177 HydrophobicContact CZ-CG1 3.29Å
118	D	95.8	Very high	96.1	Very high	96 Å²	96	53.1 Å²	53.1	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-37.9	-171.3	-61.9	-29.4	0	0	0	111.2	D116 H180 K182	D116-D118 PolarHBondContact OD1-N 2.94Å; D118-H180 IonicContact OD1-CD2 3Å; D118-K182 IonicContact OD1-NZ 3.81Å; D118-K182 PolarHBondContact OD1-NZ 2.79Å; D118-K182 VanDerWaalsContact OD2-CE 3.23Å; D118-K182 WeakPolarHBondContact OD2-CE 3.31Å; D118-K182 IonicContact OD2-NZ 3.9Å; D118-K182 PolarHBondContact OD2-NZ 2.78Å
119	S	96.2	Very high	96.1	Very high	62 Å²	62	54.4 Å²	54.4	43%	0.434	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.4	172.2	59.5	0	0	0	0	113.4	D116 T121	D116-S119 VanDerWaalsContact CB-OG 3.32Å; D116-S119 WeakPolarHBondContact CB-OG 3.47Å; D116-S119 VanDerWaalsContact CG-OG 3.29Å; D116-S119 PolarHBondContact OD1-N 3.35Å; S119-T121 VanDerWaalsContact C-N 3.33Å; S119-T121 PolarHBondContact O-N 3.4Å; S119-T121 PolarHBondContact OG-OG1 3.41Å
120	N	96.9	Very high	96.2	Very high	37 Å²	37	53.5 Å²	53.5	20%	0.198	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	45.1	-169.9	-169.9	46	0	0	0	112.8	Y115 D116 F117 F170 K172	Y115-N120 WeakPolarHBondContact CE2-OD1 3.49Å; Y115-N120 PolarHBondContact OH-OD1 3.42Å; D116-N120 VanDerWaalsContact O-CA 3.25Å; D116-N120 WeakPolarHBondContact O-CA 3.39Å; D116-N120 PolarHBondContact O-N 3.42Å; F117-N120 PolarHBondContact O-N 3.16Å; N120-F170 PolarHBondContact ND2-O 2.97Å; N120-F170 VanDerWaalsContact ND2-O 3.15Å; N120-K172 PolarHBondContact ND2-N 3.39Å; N120-K172 PolarHBondContact OD1-O 2.89Å
121	T	97.3	Very high	96.3	Very high	61 Å²	61	50.8 Å²	50.8	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.1	-178.7	56.6	0	0	0	0	112.7	Y115 D116 S119 N123	Y115-T121 WeakPolarHBondContact CD2-O 3.43Å; D116-T121 PolarHBondContact N-O 2.99Å; D116-T121 PolarHBondContact O-N 3.14Å; D116-T121 VanDerWaalsContact O-N 3.16Å; S119-T121 VanDerWaalsContact C-N 3.33Å; S119-T121 PolarHBondContact O-N 3.4Å; S119-T121 PolarHBondContact OG-OG1 3.41Å; T121-N123 PolarHBondContact OG1-OD1 3.36Å; T121-N123 VanDerWaalsContact OG1-OD1 3.11Å
122	C	96.9	Very high	96.3	Very high	57 Å²	57	50.1 Å²	50.1	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.4	163.3	-47.1	0	0	0	0	108.3	Y114 K125 C127	Y114-C122 CarbonylContact O-C 3.54Å; Y114-C122 WeakPolarHBondContact O-CA 3.45Å; C122-K125 WeakPolarHBondContact CB-O 3.39Å; C122-C127 VanDerWaalsContact CA-SG 3.59Å; C122-C127 HydrophobicContact CB-CB 3.8Å; C122-C127 WeakPolarHBondContact CB-SG 3.43Å; C122-C127 VanDerWaalsContact SG-CA 3.58Å; C122-C127 WeakPolarHBondContact SG-CB 3.47Å; C122-C127 PolarHBondContact SG-N 3.16Å; C122-C127 CovalentContact SG-SG 2.03Å; C122-C127 PolarHBondContact SG-SG 2.88Å
123	N	92.8	Very high	96.5	Very high	102 Å²	102	47.8 Å²	47.8	55%	0.545	27%	0.271	S	S	.	.			trans	-79.3	-78.7	-169.9	-66	-21.8	0	0	0	112	Y114 T121	Y114-N123 PolarHBondContact O-N 2.96Å; T121-N123 PolarHBondContact OG1-OD1 3.36Å; T121-N123 VanDerWaalsContact OG1-OD1 3.11Å
124	S	89.5	Confident	96.6	Very high	90 Å²	90	42.4 Å²	42.4	63%	0.629	25%	0.246	S	C	*	.	S	Bend	trans	-91.6	-20.7	-169.9	54.6	0	0	0	0	114.7	Y114	Y114-S124 WeakPolarHBondContact CD1-OG 3.35Å
125	K	92.8	Very high	96.7	Very high	125 Å²	125	40.2 Å²	40.2	54%	0.543	24%	0.237	S	C	.	.	S	Bend	trans	-149.5	176.3	179.6	-59.6	-168.1	-169.7	167.8	0	110.4	Y114 C122	Y114-K125 HydrophobicContact CD1-CB 4.44Å; Y114-K125 HydrophobicContact CD2-CB 3.63Å; Y114-K125 HydrophobicContact CD2-CD 4.32Å; Y114-K125 HydrophobicContact CD2-CG 4.31Å; Y114-K125 HydrophobicContact CE1-CD 4.27Å; Y114-K125 HydrophobicContact CE1-CG 4.37Å; Y114-K125 HydrophobicContact CE2-CB 3.84Å; Y114-K125 HydrophobicContact CE2-CD 3.65Å; Y114-K125 HydrophobicContact CE2-CG 4.11Å; Y114-K125 HydrophobicContact CG-CB 3.94Å; Y114-K125 PolarHBondContact OH-NZ 3.47Å; Y114-K125 VanDerWaalsContact OH-NZ 3.11Å; C122-K125 WeakPolarHBondContact CB-O 3.39Å
126	S	95.3	Very high	96.7	Very high	78 Å²	78	41.6 Å²	41.6	55%	0.545	24%	0.244	S	C	.	.			trans	-57	145.8	171.5	56.7	0	0	0	0	111.5	E111	E111-S126 VanDerWaalsContact CD-O 3.3Å; E111-S126 VanDerWaalsContact CG-O 3.3Å; E111-S126 WeakPolarHBondContact CG-O 3.36Å; E111-S126 PolarHBondContact OE1-OG 3.04Å; E111-S126 VanDerWaalsContact OE1-OG 3.08Å
127	C	97.5	Very high	96.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.			trans	-131.2	9.9	171.5	73	0	0	0	0	113.9	E111 Y115 C122 N129 Y130 L131	E111-C127 HydrophobicContact CB-CB 4.4Å; E111-C127 WeakPolarHBondContact OE2-CA 3.46Å; Y115-C127 WeakPolarHBondContact CD2-SG 3.29Å; C122-C127 VanDerWaalsContact CA-SG 3.59Å; C122-C127 HydrophobicContact CB-CB 3.8Å; C122-C127 WeakPolarHBondContact CB-SG 3.43Å; C122-C127 VanDerWaalsContact SG-CA 3.58Å; C122-C127 WeakPolarHBondContact SG-CB 3.47Å; C122-C127 PolarHBondContact SG-N 3.16Å; C122-C127 CovalentContact SG-SG 2.03Å; C122-C127 PolarHBondContact SG-SG 2.88Å; C127-N129 VanDerWaalsContact C-N 3.33Å; C127-N129 PolarHBondContact O-N 3.38Å; C127-Y130 PolarHBondContact O-N 3.37Å; C127-L131 WeakPolarHBondContact O-CB 3.37Å; C127-L131 VanDerWaalsContact O-CG 3.24Å; C127-L131 WeakPolarHBondContact O-CG 3.23Å; C127-L131 PolarHBondContact O-N 2.83Å
128	G	97.9	Very high	96.9	Very high	22 Å²	22	45 Å²	45	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-33.4	-173.8	0	0	0	0	0	113.8	E111 L131 Q132 F170	E111-G128 PolarHBondContact OE2-N 3.18Å; G128-L131 PolarHBondContact O-N 3.02Å; G128-Q132 WeakPolarHBondContact O-CB 3.17Å; G128-Q132 PolarHBondContact O-N 2.97Å; G128-F170 WeakPolarHBondContact O-CE1 3.01Å
129	N	98.3	Very high	97	Very high	31 Å²	31	43.4 Å²	43.4	17%	0.166	25%	0.25	C	C	.	.	H	α-helix	trans	-68.9	-46.8	179.3	-60.4	-63.9	0	0	0	110.2	N94 W108 E111 C127 Q132 I133	N94-N129 WeakPolarHBondContact ND2-CA 3.42Å; N94-N129 PolarHBondContact ND2-O 2.8Å; N94-N129 VanDerWaalsContact ND2-O 3.07Å; W108-N129 HydrophobicContact CB-CB 3.77Å; W108-N129 HydrophobicContact CD2-CB 4.41Å; W108-N129 HydrophobicContact CG-CB 3.6Å; W108-N129 PolarHBondContact NE1-OD1 2.98Å; E111-N129 PolarHBondContact OE1-ND2 3.5Å; E111-N129 WeakPolarHBondContact OE2-CA 3.36Å; E111-N129 VanDerWaalsContact OE2-CB 3.23Å; E111-N129 WeakPolarHBondContact OE2-CB 3.31Å; E111-N129 PolarHBondContact OE2-N 3.32Å; C127-N129 VanDerWaalsContact C-N 3.33Å; C127-N129 PolarHBondContact O-N 3.38Å; N129-Q132 PolarHBondContact O-N 3.29Å; N129-I133 VanDerWaalsContact O-CG1 3.31Å; N129-I133 WeakPolarHBondContact O-CG1 3.41Å; N129-I133 PolarHBondContact O-N 3.38Å; N129-I133 VanDerWaalsContact O-N 3.12Å
130	Y	98.2	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-51.8	173.6	167.1	-107.4	0	0	0	110.9	I47 W108 E111 Y115 C127 Q132 I133 V134	I47-Y130 HydrophobicContact CD1-CE2 4.15Å; W108-Y130 WeakPolarHBondContact O-CA 3.38Å; W108-Y130 WeakPolarHBondContact O-CB 3.38Å; W108-Y130 PolarHBondContact O-N 3.25Å; E111-Y130 PolarHBondContact OE2-N 3.08Å; E111-Y130 VanDerWaalsContact OE2-N 3.16Å; Y115-Y130 HydrophobicContact CD1-CE1 4.08Å; C127-Y130 PolarHBondContact O-N 3.37Å; Y130-Q132 PolarHBondContact O-N 2.98Å; Y130-I133 WeakPolarHBondContact O-CB 3.3Å; Y130-I133 PolarHBondContact O-N 3.16Å; Y130-V134 HydrophobicContact CD1-CG2 4.22Å; Y130-V134 HydrophobicContact CD2-CG1 4.25Å; Y130-V134 HydrophobicContact CD2-CG2 4.4Å; Y130-V134 HydrophobicContact CE1-CG2 3.77Å; Y130-V134 HydrophobicContact CE2-CB 4.44Å; Y130-V134 HydrophobicContact CE2-CG1 3.59Å; Y130-V134 HydrophobicContact CE2-CG2 3.96Å; Y130-V134 WeakPolarHBondContact O-CG2 3.34Å; Y130-V134 PolarHBondContact O-N 3.27Å
131	L	98.6	Very high	97.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-37.5	-178.7	-71.2	179.7	0	0	0	112.5	Y115 C127 G128 V134 W135 F170 P174	Y115-L131 HydrophobicContact CD1-CD2 3.74Å; Y115-L131 HydrophobicContact CD2-CD1 4.08Å; Y115-L131 HydrophobicContact CD2-CD2 3.85Å; Y115-L131 HydrophobicContact CD2-CG 4.32Å; Y115-L131 HydrophobicContact CE1-CD2 3.59Å; Y115-L131 HydrophobicContact CE2-CD1 4.01Å; Y115-L131 HydrophobicContact CE2-CD2 3.72Å; Y115-L131 HydrophobicContact CE2-CG 4.42Å; Y115-L131 HydrophobicContact CG-CD2 3.85Å; C127-L131 WeakPolarHBondContact O-CB 3.37Å; C127-L131 VanDerWaalsContact O-CG 3.24Å; C127-L131 WeakPolarHBondContact O-CG 3.23Å; C127-L131 PolarHBondContact O-N 2.83Å; G128-L131 PolarHBondContact O-N 3.02Å; L131-V134 CarbonylContact O-C 3.59Å; L131-W135 WeakPolarHBondContact O-CB 3.46Å; L131-W135 PolarHBondContact O-N 2.81Å; L131-F170 HydrophobicContact CB-CD1 3.97Å; L131-F170 HydrophobicContact CB-CE1 3.82Å; L131-F170 HydrophobicContact CD1-CD1 3.85Å; L131-F170 HydrophobicContact CD1-CE1 4.43Å; L131-P174 HydrophobicContact CD2-CB 3.97Å; L131-P174 HydrophobicContact CD2-CG 3.69Å
132	Q	98.7	Very high	97.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-40	174.6	-178.6	58.1	89.1	0	0	112.6	N94 G128 N129 Y130 W135 T138 Y164 A168	N94-Q132 WeakPolarHBondContact OD1-CB 3.2Å; G128-Q132 WeakPolarHBondContact O-CB 3.17Å; G128-Q132 PolarHBondContact O-N 2.97Å; N129-Q132 PolarHBondContact O-N 3.29Å; Y130-Q132 PolarHBondContact O-N 2.98Å; Q132-W135 WeakPolarHBondContact O-CB 3.48Å; Q132-W135 PolarHBondContact O-N 2.86Å; Q132-T138 PolarHBondContact NE2-OG1 3.27Å; Q132-Y164 HydrophobicContact CG-CD1 4.02Å; Q132-Y164 HydrophobicContact CG-CD2 3.27Å; Q132-Y164 HydrophobicContact CG-CE1 4.24Å; Q132-Y164 HydrophobicContact CG-CE2 3.55Å; Q132-Y164 HydrophobicContact CG-CG 3.52Å; Q132-A168 HydrophobicContact CB-CB 4.37Å
133	I	98.6	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-46.1	177	-67	163.7	0	0	0	110.7	I38 R39 M105 W108 V109 N129 Y130 W135	I38-I133 HydrophobicContact CB-CG2 4.08Å; I38-I133 HydrophobicContact CG2-CG2 3.91Å; R39-I133 WeakPolarHBondContact CD-O 3.14Å; R39-I133 WeakPolarHBondContact CG-O 3.24Å; R39-I133 PolarHBondContact NH1-O 3.36Å; M105-I133 HydrophobicContact CE-CD1 3.8Å; M105-I133 HydrophobicContact CE-CG1 4.45Å; M105-I133 HydrophobicContact CE-CG2 4.33Å; W108-I133 HydrophobicContact CB-CD1 3.73Å; W108-I133 HydrophobicContact CE3-CD1 4.45Å; V109-I133 HydrophobicContact CG2-CD1 4.28Å; N129-I133 VanDerWaalsContact O-CG1 3.31Å; N129-I133 WeakPolarHBondContact O-CG1 3.41Å; N129-I133 PolarHBondContact O-N 3.38Å; N129-I133 VanDerWaalsContact O-N 3.12Å; Y130-I133 WeakPolarHBondContact O-CB 3.3Å; Y130-I133 PolarHBondContact O-N 3.16Å; I133-W135 VanDerWaalsContact C-N 3.32Å; I133-W135 PolarHBondContact O-N 2.76Å
134	V	98.5	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.8	-178.4	-61.1	0	0	0	0	113.7	I38 A42 I47 I56 Y130 L131 Q136 P174 Y175	I38-V134 HydrophobicContact CG2-CG1 3.96Å; A42-V134 HydrophobicContact CB-CG1 4.48Å; I47-V134 HydrophobicContact CD1-CG1 4.46Å; I56-V134 VanDerWaalsContact CD1-C 3.45Å; I56-V134 HydrophobicContact CD1-CB 4.09Å; I56-V134 WeakPolarHBondContact CD1-O 3.21Å; Y130-V134 HydrophobicContact CD1-CG2 4.22Å; Y130-V134 HydrophobicContact CD2-CG1 4.25Å; Y130-V134 HydrophobicContact CD2-CG2 4.4Å; Y130-V134 HydrophobicContact CE1-CG2 3.77Å; Y130-V134 HydrophobicContact CE2-CB 4.44Å; Y130-V134 HydrophobicContact CE2-CG1 3.59Å; Y130-V134 HydrophobicContact CE2-CG2 3.96Å; Y130-V134 WeakPolarHBondContact O-CG2 3.34Å; Y130-V134 PolarHBondContact O-N 3.27Å; L131-V134 CarbonylContact O-C 3.59Å; V134-Q136 PolarHBondContact O-N 3.01Å; V134-Q136 VanDerWaalsContact O-N 3.12Å; V134-P174 HydrophobicContact CG2-CB 3.92Å; V134-P174 HydrophobicContact CG2-CG 4.21Å; V134-Y175 HydrophobicContact CB-CD1 4.14Å; V134-Y175 HydrophobicContact CB-CE1 4.03Å; V134-Y175 HydrophobicContact CG2-CD1 4.22Å; V134-Y175 HydrophobicContact CG2-CE1 3.9Å; V134-Y175 WeakPolarHBondContact O-CD1 3.23Å
135	W	98.7	Very high	98.1	Very high	7 Å²	7	27 Å²	27	3%	0.027	14%	0.144	C	C	.	.			trans	-68.4	113.5	179.6	-163.4	-111.4	0	0	0	111.5	R39 L131 Q132 I133 K137 T138 A168 K169 K172 P174	R39-W135 PolarHBondContact NH1-O 3.41Å; R39-W135 PolarHBondContact NH2-O 2.93Å; L131-W135 WeakPolarHBondContact O-CB 3.46Å; L131-W135 PolarHBondContact O-N 2.81Å; Q132-W135 WeakPolarHBondContact O-CB 3.48Å; Q132-W135 PolarHBondContact O-N 2.86Å; I133-W135 VanDerWaalsContact C-N 3.32Å; I133-W135 PolarHBondContact O-N 2.76Å; W135-K137 VanDerWaalsContact C-N 3.25Å; W135-K137 PolarHBondContact O-N 3.42Å; W135-T138 WeakPolarHBondContact CB-OG1 3.41Å; W135-T138 VanDerWaalsContact CD1-OG1 3.3Å; W135-T138 PolarHBondContact O-N 3.14Å; W135-T138 VanDerWaalsContact O-N 3.14Å; W135-A168 HydrophobicContact CB-CB 4.18Å; W135-A168 HydrophobicContact CD2-CB 3.61Å; W135-A168 HydrophobicContact CE3-CB 3.64Å; W135-A168 HydrophobicContact CG-CB 3.82Å; W135-A168 HydrophobicContact CZ3-CB 4.3Å; W135-K169 HydrophobicContact CH2-CB 3.98Å; W135-K169 WeakPolarHBondContact CH2-O 3.07Å; W135-K169 HydrophobicContact CZ2-CB 3.7Å; W135-K169 HydrophobicContact CZ2-CG 4.19Å; W135-K169 WeakPolarHBondContact CZ3-O 3.11Å; W135-K172 HydrophobicContact CH2-CB 4.08Å; W135-K172 WeakPolarHBondContact CH2-O 3.43Å; W135-K172 WeakPolarHBondContact CZ3-O 3.42Å; W135-P174 VanDerWaalsContact CE3-CA 3.48Å; W135-P174 HydrophobicContact CE3-CB 3.88Å; W135-P174 VanDerWaalsContact CZ3-CA 3.45Å; W135-P174 HydrophobicContact CZ3-CB 4.15Å
136	Q	98.5	Very high	98.3	Very high	36 Å²	36	22.4 Å²	22.4	17%	0.168	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.5	-176.3	161.6	172	-26.2	0	0	112.7	R55 V134 T138 P174 D176	R55-Q136 WeakPolarHBondContact O-CG 3.49Å; R55-Q136 PolarHBondContact O-OE1 2.84Å; V134-Q136 PolarHBondContact O-N 3.01Å; V134-Q136 VanDerWaalsContact O-N 3.12Å; Q136-T138 VanDerWaalsContact C-N 3.35Å; Q136-P174 WeakPolarHBondContact CB-O 3.41Å; Q136-P174 PolarHBondContact N-O 3.49Å; Q136-D176 PolarHBondContact NE2-OD2 2.99Å; Q136-D176 PolarHBondContact OE1-OD2 3.43Å
137	K	98.3	Very high	98.5	Very high	134 Å²	134	22.7 Å²	22.7	58%	0.583	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.9	-176	-62.4	-173	177.7	-178	0	113	W135 T139 P166	W135-K137 VanDerWaalsContact C-N 3.25Å; W135-K137 PolarHBondContact O-N 3.42Å; K137-T139 PolarHBondContact O-N 3.25Å; K137-P166 HydrophobicContact CB-CG 4.19Å; K137-P166 WeakPolarHBondContact O-CD 3.42Å; K137-P166 VanDerWaalsContact O-CG 3.29Å; K137-P166 WeakPolarHBondContact O-CG 3.34Å
138	T	98.8	Very high	98.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.122	C	C	.	.			trans	-67	129.3	175.3	-61.4	0	0	0	0	109	R39 L59 Q132 W135 Q136 Y164 P166	R39-T138 PolarHBondContact NH2-O 2.79Å; R39-T138 VanDerWaalsContact NH2-O 3.09Å; L59-T138 HydrophobicContact CD2-CG2 3.73Å; L59-T138 VanDerWaalsContact CD2-O 3.25Å; L59-T138 WeakPolarHBondContact CD2-O 2.92Å; Q132-T138 PolarHBondContact NE2-OG1 3.27Å; W135-T138 WeakPolarHBondContact CB-OG1 3.41Å; W135-T138 VanDerWaalsContact CD1-OG1 3.3Å; W135-T138 PolarHBondContact O-N 3.14Å; W135-T138 VanDerWaalsContact O-N 3.14Å; Q136-T138 VanDerWaalsContact C-N 3.35Å; T138-Y164 HydrophobicContact CG2-CD1 4.12Å; T138-Y164 HydrophobicContact CG2-CG 4.42Å; T138-P166 PolarHBondContact OG1-O 2.89Å
139	T	98.6	Very high	98.4	Very high	61 Å²	61	30.3 Å²	30.3	37%	0.374	14%	0.144	S	C	.	.			trans	-117.1	-32.5	-176.1	53.4	0	0	0	0	112.3	L59 V60 K137 A165	L59-T139 WeakPolarHBondContact CA-O 3.49Å; V60-T139 PolarHBondContact N-O 2.94Å; K137-T139 PolarHBondContact O-N 3.25Å; T139-A165 PolarHBondContact N-O 3.43Å; T139-A165 PolarHBondContact OG1-O 2.81Å; T139-A165 VanDerWaalsContact OG1-O 3.1Å
140	H	98.8	Very high	98.3	Very high	35 Å²	35	38.5 Å²	38.5	16%	0.162	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.6	-176.9	-61.9	73.2	0	0	0	111.7	V60 D62 L65 K87 F88 Y164 A165	V60-H140 CarbonylContact O-C 3.52Å; V60-H140 WeakPolarHBondContact O-CA 3.24Å; D62-H140 HydrophobicContact CB-CB 4.11Å; D62-H140 IonicContact OD2-CD2 2.87Å; L65-H140 HydrophobicContact CD1-CB 3.93Å; K87-H140 PolarHBondContact NZ-CD2 3.33Å; K87-H140 PolarHBondContact NZ-NE2 3.45Å; F88-H140 AromaticContact CE1-ND1 3.96Å; F88-H140 HydrophobicContact CE2-CB 4.05Å; F88-H140 HydrophobicContact CZ-CB 3.82Å; F88-H140 AromaticContact CZ-CD2 3.82Å; F88-H140 AromaticContact CZ-CE1 3.87Å; F88-H140 AromaticContact CZ-CG 3.45Å; F88-H140 VanDerWaalsContact CZ-CG 3.45Å; F88-H140 AromaticContact CZ-ND1 3.49Å; F88-H140 WeakPolarHBondContact CZ-ND1 3.33Å; H140-Y164 WeakPolarHBondContact O-CA 3.46Å; H140-A165 HydrophobicContact CB-CB 4.42Å; H140-A165 PolarHBondContact N-O 3.42Å; H140-A165 PolarHBondContact O-N 3.4Å
141	I	98.8	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.4	174.4	-171.4	176.3	0	0	0	109.7	L32 H35 L59 V60 W61 D62 C162 N163 Y164	L32-I141 HydrophobicContact CD1-CG2 3.5Å; L32-I141 VanDerWaalsContact CD1-CG2 3.5Å; H35-I141 HydrophobicContact CB-CD1 4.41Å; L59-I141 HydrophobicContact CB-CB 4.33Å; L59-I141 HydrophobicContact CB-CG2 3.77Å; L59-I141 HydrophobicContact CD1-CB 3.95Å; L59-I141 HydrophobicContact CD1-CD1 4.17Å; L59-I141 HydrophobicContact CD1-CG2 4.11Å; V60-I141 PolarHBondContact O-N 3.38Å; W61-I141 CarbonylContact C-O 3.58Å; W61-I141 WeakPolarHBondContact CA-O 3.48Å; W61-I141 HydrophobicContact CE3-CG2 4.39Å; D62-I141 PolarHBondContact N-O 2.91Å; I141-C162 HydrophobicContact CD1-CB 4.39Å; I141-N163 CarbonylContact C-O 3.55Å; I141-N163 VanDerWaalsContact CA-O 3.31Å; I141-N163 WeakPolarHBondContact CA-O 3.21Å; I141-Y164 HydrophobicContact CB-CD1 4.41Å; I141-Y164 HydrophobicContact CD1-CD1 4.11Å; I141-Y164 HydrophobicContact CD1-CE1 3.5Å; I141-Y164 VanDerWaalsContact CD1-CE1 3.5Å; I141-Y164 HydrophobicContact CG1-CD1 4.01Å; I141-Y164 HydrophobicContact CG1-CE1 3.87Å
142	G	98.7	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.9	164.1	0	0	0	0	0	110.2	N163	G142-N163 PolarHBondContact N-O 3.07Å; G142-N163 PolarHBondContact O-N 3.1Å
143	C	98.8	Very high	97.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.8	-174.8	-54.3	0	0	0	0	112.6	Q28 L31 W61 V161 C162	Q28-C143 PolarHBondContact NE2-O 3.05Å; L31-C143 HydrophobicContact CD1-CB 3.75Å; W61-C143 HydrophobicContact CH2-CB 4.01Å; W61-C143 HydrophobicContact CZ3-CB 4.22Å; C143-V161 CarbonylContact C-O 3.59Å; C143-V161 WeakPolarHBondContact CA-O 3.45Å; C143-V161 WeakPolarHBondContact CB-O 3.04Å; C143-C162 HydrophobicContact CB-CB 4.14Å; C143-C162 WeakPolarHBondContact CB-SG 3.45Å; C143-C162 WeakPolarHBondContact SG-CB 3.49Å; C143-C162 CovalentContact SG-SG 2.05Å; C143-C162 PolarHBondContact SG-SG 3.16Å
144	G	98.6	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.4	173.4	0	0	0	0	0	109.8	A69 T70 V161	A69-G144 VanDerWaalsContact CB-N 3.28Å; T70-G144 WeakPolarHBondContact OG1-CA 3.03Å; G144-V161 PolarHBondContact N-O 2.88Å; G144-V161 PolarHBondContact O-N 3.34Å
145	V	98.6	Very high	97.4	Very high	30 Å²	30	56.8 Å²	56.8	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.6	-179.3	-175.7	0	0	0	0	108	D27 L31 V101 V158 F159 V160	D27-V145 HydrophobicContact CB-CB 4.4Å; D27-V145 HydrophobicContact CB-CG2 4.07Å; L31-V145 HydrophobicContact CD1-CG2 3.75Å; V101-V145 HydrophobicContact CG1-CB 4.47Å; V101-V145 HydrophobicContact CG1-CG1 3.74Å; V101-V145 HydrophobicContact CG1-CG2 3.89Å; V145-V158 HydrophobicContact CG1-CB 4.29Å; V145-F159 WeakPolarHBondContact CA-O 3.45Å; V145-V160 HydrophobicContact CG1-CG2 4.43Å; V145-V160 HydrophobicContact CG2-CG1 4.32Å
146	T	98.4	Very high	97.2	Very high	28 Å²	28	62.1 Å²	62.1	17%	0.172	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.6	175.7	-61	0	0	0	0	109.8	S73 K74 C148 V158 F159	S73-T146 WeakPolarHBondContact O-CB 3.21Å; S73-T146 PolarHBondContact OG-OG1 3.48Å; K74-T146 PolarHBondContact N-OG1 2.85Å; T146-C148 PolarHBondContact O-N 3.41Å; T146-V158 CarbonylContact O-C 3.39Å; T146-V158 WeakPolarHBondContact O-CA 3.49Å; T146-F159 PolarHBondContact N-O 3.11Å; T146-F159 PolarHBondContact O-N 2.97Å
147	D	98	Very high	97.1	Very high	84 Å²	84	60.7 Å²	60.7	45%	0.449	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	105.2	170	-175.7	-3.6	0	0	0	109.8	R149	D147-R149 VanDerWaalsContact CG-NE 3.34Å; D147-R149 VanDerWaalsContact OD1-CB 3.27Å; D147-R149 WeakPolarHBondContact OD1-CB 3.36Å; D147-R149 WeakPolarHBondContact OD1-CG 3.4Å; D147-R149 IonicContact OD1-CZ 3.95Å; D147-R149 PolarHBondContact OD1-N 2.94Å; D147-R149 VanDerWaalsContact OD1-N 3.08Å; D147-R149 IonicContact OD1-NE 2.66Å; D147-R149 PolarHBondContact OD1-NE 3.14Å; D147-R149 IonicContact OD1-NH2 3.27Å; D147-R149 IonicContact OD2-CZ 2.69Å; D147-R149 VanDerWaalsContact OD2-CZ 3.27Å; D147-R149 IonicContact OD2-NE 2.83Å; D147-R149 PolarHBondContact OD2-NE 2.87Å; D147-R149 VanDerWaalsContact OD2-NE 3.08Å; D147-R149 IonicContact OD2-NH2 2.85Å; D147-R149 PolarHBondContact OD2-NH2 3.28Å
148	C	98.2	Very high	97.1	Very high	1 Å²	1	55 Å²	55	1%	0.007	28%	0.28	C	S	.	.			trans	-101.8	12.7	-176.9	-68.1	0	0	0	0	112.5	C76 T146 K150 S151 F154 G157	C76-C148 WeakPolarHBondContact CA-SG 3.15Å; C76-C148 HydrophobicContact CB-CB 3.64Å; C76-C148 WeakPolarHBondContact CB-SG 3.09Å; C76-C148 VanDerWaalsContact SG-CA 3.54Å; C76-C148 WeakPolarHBondContact SG-CB 3.33Å; C76-C148 CovalentContact SG-SG 2.03Å; C76-C148 PolarHBondContact SG-SG 3.06Å; T146-C148 PolarHBondContact O-N 3.41Å; C148-K150 PolarHBondContact O-N 3.02Å; C148-S151 VanDerWaalsContact O-CB 3.29Å; C148-S151 WeakPolarHBondContact O-CB 3.39Å; C148-S151 PolarHBondContact O-N 3.31Å; C148-F154 HydrophobicContact CB-CB 3.82Å; C148-F154 HydrophobicContact CB-CD1 3.39Å; C148-F154 HydrophobicContact CB-CE1 4.1Å; C148-F154 HydrophobicContact CB-CG 3.66Å; C148-G157 CarbonylContact C-O 3.56Å; C148-G157 WeakPolarHBondContact CA-O 3.35Å; C148-G157 WeakPolarHBondContact CB-O 3.2Å; C148-G157 PolarHBondContact N-O 2.03Å
149	R	96.1	Very high	97.1	Very high	181 Å²	181	55 Å²	55	68%	0.683	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.7	179.2	-72.3	178.9	-73.1	-176.1	-3	114.1	D147 G157	D147-R149 VanDerWaalsContact CG-NE 3.34Å; D147-R149 VanDerWaalsContact OD1-CB 3.27Å; D147-R149 WeakPolarHBondContact OD1-CB 3.36Å; D147-R149 WeakPolarHBondContact OD1-CG 3.4Å; D147-R149 IonicContact OD1-CZ 3.95Å; D147-R149 PolarHBondContact OD1-N 2.94Å; D147-R149 VanDerWaalsContact OD1-N 3.08Å; D147-R149 IonicContact OD1-NE 2.66Å; D147-R149 PolarHBondContact OD1-NE 3.14Å; D147-R149 IonicContact OD1-NH2 3.27Å; D147-R149 IonicContact OD2-CZ 2.69Å; D147-R149 VanDerWaalsContact OD2-CZ 3.27Å; D147-R149 IonicContact OD2-NE 2.83Å; D147-R149 PolarHBondContact OD2-NE 2.87Å; D147-R149 VanDerWaalsContact OD2-NE 3.08Å; D147-R149 IonicContact OD2-NH2 2.85Å; D147-R149 PolarHBondContact OD2-NH2 3.28Å; R149-G157 PolarHBondContact N-O 3.22Å
150	K	95.8	Very high	97.1	Very high	204 Å²	204	52.1 Å²	52.1	89%	0.887	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.2	176.3	-64.3	-174.6	178.6	-178.7	0	113.6	C148 P152	C148-K150 PolarHBondContact O-N 3.02Å; K150-P152 WeakPolarHBondContact O-CD 3.3Å
151	S	96.4	Very high	97.1	Very high	26 Å²	26	50.4 Å²	50.4	18%	0.182	25%	0.254	C	S	.	.			trans	-94.9	114.1	-179.6	-170.6	0	0	0	0	109.9	C76 C148 Q153 F154	C76-S151 WeakPolarHBondContact CB-OG 3.43Å; C148-S151 VanDerWaalsContact O-CB 3.29Å; C148-S151 WeakPolarHBondContact O-CB 3.39Å; C148-S151 PolarHBondContact O-N 3.31Å; S151-Q153 PolarHBondContact O-N 3.15Å; S151-Q153 VanDerWaalsContact O-N 3.1Å; S151-F154 PolarHBondContact O-N 3.41Å
152	P	93.7	Very high	97.1	Very high	133 Å²	133	50.4 Å²	50.4	86%	0.864	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.7	-177.4	-25.7	35.1	0	0	0	114.2	K150 F154	K150-P152 WeakPolarHBondContact O-CD 3.3Å; P152-F154 VanDerWaalsContact C-N 3.35Å
153	Q	94	Very high	97.1	Very high	122 Å²	122	50.4 Å²	50.4	57%	0.57	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.5	-178.4	77.6	-156.5	32.4	0	0	113.6	T75 C76 S151	T75-Q153 PolarHBondContact O-NE2 2.7Å; C76-Q153 WeakPolarHBondContact O-CG 3.35Å; C76-Q153 PolarHBondContact O-NE2 3.48Å; C76-Q153 VanDerWaalsContact O-NE2 3.12Å; S151-Q153 PolarHBondContact O-N 3.15Å; S151-Q153 VanDerWaalsContact O-N 3.1Å
154	F	95.6	Very high	97.1	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.013	25%	0.254	C	S	.	.			trans	-128	83.1	-178.1	-160.6	-86.9	0	0	0	111.6	C76 F78 C148 S151 P152 Y156 F159	C76-F154 HydrophobicContact CB-CB 4.12Å; C76-F154 HydrophobicContact CB-CG 4.5Å; F78-F154 HydrophobicContact CB-CD2 4.38Å; F78-F154 HydrophobicContact CB-CE2 3.96Å; F78-F154 AromaticContact CD2-CE2 3.84Å; F78-F154 HydrophobicContact CD2-CE2 3.84Å; F78-F154 HydrophobicContact CD2-CZ 4.12Å; F78-F154 HydrophobicContact CG-CE2 4.42Å; C148-F154 HydrophobicContact CB-CB 3.82Å; C148-F154 HydrophobicContact CB-CD1 3.39Å; C148-F154 HydrophobicContact CB-CE1 4.1Å; C148-F154 HydrophobicContact CB-CG 3.66Å; S151-F154 PolarHBondContact O-N 3.41Å; P152-F154 VanDerWaalsContact C-N 3.35Å; F154-Y156 AromaticContact CD1-CD2 3.94Å; F154-Y156 HydrophobicContact CD1-CD2 3.94Å; F154-Y156 HydrophobicContact CD2-CD2 4.21Å; F154-Y156 AromaticContact CE1-CD2 3.7Å; F154-Y156 HydrophobicContact CE1-CD2 3.7Å; F154-Y156 HydrophobicContact CE1-CG 4.24Å; F154-Y156 AromaticContact CE2-CD2 4Å; F154-Y156 HydrophobicContact CE2-CD2 4Å; F154-Y156 HydrophobicContact CE2-CE2 4.48Å; F154-Y156 HydrophobicContact CG-CD2 4.19Å; F154-Y156 AromaticContact CZ-CD2 3.71Å; F154-Y156 HydrophobicContact CZ-CD2 3.71Å; F154-Y156 PolarHBondContact O-N 2.62Å; F154-F159 HydrophobicContact CD2-CB 4.38Å; F154-F159 HydrophobicContact CD2-CG 4.31Å; F154-F159 HydrophobicContact CE1-CB 3.82Å; F154-F159 HydrophobicContact CE1-CG 4.45Å; F154-F159 HydrophobicContact CE2-CB 3.65Å; F154-F159 AromaticContact CE2-CD1 3.94Å; F154-F159 HydrophobicContact CE2-CD1 3.94Å; F154-F159 AromaticContact CE2-CD2 3.43Å; F154-F159 HydrophobicContact CE2-CD2 3.43Å; F154-F159 VanDerWaalsContact CE2-CD2 3.43Å; F154-F159 HydrophobicContact CE2-CE1 4.5Å; F154-F159 HydrophobicContact CE2-CE2 4Å; F154-F159 AromaticContact CE2-CG 3.41Å; F154-F159 HydrophobicContact CE2-CG 3.41Å; F154-F159 VanDerWaalsContact CE2-CG 3.41Å; F154-F159 HydrophobicContact CZ-CB 3.34Å; F154-F159 HydrophobicContact CZ-CD1 4.45Å; F154-F159 AromaticContact CZ-CD2 3.42Å; F154-F159 HydrophobicContact CZ-CD2 3.42Å; F154-F159 VanDerWaalsContact CZ-CD2 3.42Å; F154-F159 HydrophobicContact CZ-CE2 4.32Å; F154-F159 AromaticContact CZ-CG 3.51Å; F154-F159 HydrophobicContact CZ-CG 3.51Å
155	P	94.1	Very high	97.1	Very high	107 Å²	107	50.4 Å²	50.4	70%	0.695	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	16.4	-169.4	33.7	-37.9	0	0	0	115.1
156	Y	94.2	Very high	97.1	Very high	118 Å²	118	50.9 Å²	50.9	46%	0.463	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-27.8	-168.2	-46.8	-72.7	0	0	0	115.7	F78 G97 Y98 F154	F78-Y156 HydrophobicContact CB-CE2 4.27Å; F78-Y156 HydrophobicContact CD2-CD2 4.4Å; F78-Y156 HydrophobicContact CD2-CE2 4.15Å; F78-Y156 HydrophobicContact CG-CE2 4.31Å; G97-Y156 WeakPolarHBondContact O-CB 3.36Å; Y98-Y156 CarbonylContact C-O 3.18Å; F154-Y156 AromaticContact CD1-CD2 3.94Å; F154-Y156 HydrophobicContact CD1-CD2 3.94Å; F154-Y156 HydrophobicContact CD2-CD2 4.21Å; F154-Y156 AromaticContact CE1-CD2 3.7Å; F154-Y156 HydrophobicContact CE1-CD2 3.7Å; F154-Y156 HydrophobicContact CE1-CG 4.24Å; F154-Y156 AromaticContact CE2-CD2 4Å; F154-Y156 HydrophobicContact CE2-CD2 4Å; F154-Y156 HydrophobicContact CE2-CE2 4.48Å; F154-Y156 HydrophobicContact CG-CD2 4.19Å; F154-Y156 AromaticContact CZ-CD2 3.71Å; F154-Y156 HydrophobicContact CZ-CD2 3.71Å; F154-Y156 PolarHBondContact O-N 2.62Å
157	G	97.1	Very high	97.1	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	25%	0.251	C	S	.	.	S	Bend	trans	125.1	-116.6	-173.4	0	0	0	0	0	112.9	Y98 C148 R149	Y98-G157 CarbonylContact O-C 3.54Å; Y98-G157 WeakPolarHBondContact O-CA 3.18Å; C148-G157 CarbonylContact C-O 3.56Å; C148-G157 WeakPolarHBondContact CA-O 3.35Å; C148-G157 WeakPolarHBondContact CB-O 3.2Å; C148-G157 PolarHBondContact N-O 2.03Å; R149-G157 PolarHBondContact N-O 3.22Å
158	V	98	Very high	97.1	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.4	174.2	-57	0	0	0	0	110.3	G97 Y98 V145 T146 V160	G97-V158 WeakPolarHBondContact CA-O 3.28Å; Y98-V158 PolarHBondContact N-O 3.1Å; Y98-V158 WeakPolarHBondContact O-CG2 3.29Å; Y98-V158 PolarHBondContact O-N 3.48Å; V145-V158 HydrophobicContact CG1-CB 4.29Å; T146-V158 CarbonylContact O-C 3.39Å; T146-V158 WeakPolarHBondContact O-CA 3.49Å; V158-V160 HydrophobicContact CG2-CG2 3.91Å
159	F	98.6	Very high	97	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.2	168.8	-169.4	-159.2	0	0	0	109.2	L72 S73 N77 F78 I95 A96 V145 T146 F154 V161	L72-F159 HydrophobicContact CG-CE1 4.27Å; L72-F159 HydrophobicContact CG-CZ 4.47Å; S73-F159 WeakPolarHBondContact O-CD1 3.48Å; N77-F159 WeakPolarHBondContact O-CE1 3.4Å; N77-F159 WeakPolarHBondContact O-CZ 3.37Å; F78-F159 HydrophobicContact CD2-CD2 4.34Å; F78-F159 AromaticContact CD2-CE2 3.94Å; F78-F159 HydrophobicContact CD2-CE2 3.94Å; F78-F159 HydrophobicContact CE2-CE2 4.4Å; I95-F159 HydrophobicContact CB-CE2 3.94Å; I95-F159 HydrophobicContact CB-CZ 4.42Å; I95-F159 HydrophobicContact CG2-CE2 4.49Å; A96-F159 WeakPolarHBondContact O-CD2 3.28Å; V145-F159 WeakPolarHBondContact CA-O 3.45Å; T146-F159 PolarHBondContact N-O 3.11Å; T146-F159 PolarHBondContact O-N 2.97Å; F154-F159 HydrophobicContact CD2-CB 4.38Å; F154-F159 HydrophobicContact CD2-CG 4.31Å; F154-F159 HydrophobicContact CE1-CB 3.82Å; F154-F159 HydrophobicContact CE1-CG 4.45Å; F154-F159 HydrophobicContact CE2-CB 3.65Å; F154-F159 AromaticContact CE2-CD1 3.94Å; F154-F159 HydrophobicContact CE2-CD1 3.94Å; F154-F159 AromaticContact CE2-CD2 3.43Å; F154-F159 HydrophobicContact CE2-CD2 3.43Å; F154-F159 VanDerWaalsContact CE2-CD2 3.43Å; F154-F159 HydrophobicContact CE2-CE1 4.5Å; F154-F159 HydrophobicContact CE2-CE2 4Å; F154-F159 AromaticContact CE2-CG 3.41Å; F154-F159 HydrophobicContact CE2-CG 3.41Å; F154-F159 VanDerWaalsContact CE2-CG 3.41Å; F154-F159 HydrophobicContact CZ-CB 3.34Å; F154-F159 HydrophobicContact CZ-CD1 4.45Å; F154-F159 AromaticContact CZ-CD2 3.42Å; F154-F159 HydrophobicContact CZ-CD2 3.42Å; F154-F159 VanDerWaalsContact CZ-CD2 3.42Å; F154-F159 HydrophobicContact CZ-CE2 4.32Å; F154-F159 AromaticContact CZ-CG 3.51Å; F154-F159 HydrophobicContact CZ-CG 3.51Å; F159-V161 HydrophobicContact CD1-CG2 4.49Å; F159-V161 HydrophobicContact CD2-CG2 4.4Å; F159-V161 HydrophobicContact CE1-CG2 4.08Å; F159-V161 HydrophobicContact CE2-CG2 4.05Å; F159-V161 HydrophobicContact CZ-CG2 3.84Å
160	V	98.7	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.8	179.1	-173.5	0	0	0	0	108.8	L31 I95 A96 V101 A104 W108 V145 V158	L31-V160 HydrophobicContact CD1-CG1 3.89Å; L31-V160 HydrophobicContact CD2-CG1 4.26Å; I95-V160 CarbonylContact C-O 3.56Å; I95-V160 WeakPolarHBondContact CA-O 3.34Å; A96-V160 HydrophobicContact CB-CB 4.38Å; A96-V160 PolarHBondContact N-O 3.19Å; A96-V160 PolarHBondContact O-N 2.98Å; V101-V160 HydrophobicContact CG1-CG2 3.97Å; A104-V160 HydrophobicContact CB-CB 4.37Å; A104-V160 HydrophobicContact CB-CG2 3.95Å; W108-V160 HydrophobicContact CH2-CG1 3.84Å; W108-V160 HydrophobicContact CZ3-CG1 4.42Å; V145-V160 HydrophobicContact CG1-CG2 4.43Å; V145-V160 HydrophobicContact CG2-CG1 4.32Å; V158-V160 HydrophobicContact CG2-CG2 3.91Å
161	V	98.8	Very high	96.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.7	174	179.2	0	0	0	0	107.7	A69 L72 Q93 N94 I95 C143 G144 F159	A69-V161 HydrophobicContact CB-CB 4.07Å; A69-V161 HydrophobicContact CB-CG1 3.77Å; L72-V161 HydrophobicContact CB-CG2 4.33Å; L72-V161 HydrophobicContact CD2-CG1 3.92Å; L72-V161 HydrophobicContact CD2-CG2 3.96Å; L72-V161 HydrophobicContact CG-CG2 4.01Å; Q93-V161 HydrophobicContact CG-CG1 4.09Å; N94-V161 WeakPolarHBondContact O-CA 3.28Å; I95-V161 HydrophobicContact CG2-CG1 4.3Å; I95-V161 HydrophobicContact CG2-CG2 4.14Å; C143-V161 CarbonylContact C-O 3.59Å; C143-V161 WeakPolarHBondContact CA-O 3.45Å; C143-V161 WeakPolarHBondContact CB-O 3.04Å; G144-V161 PolarHBondContact N-O 2.88Å; G144-V161 PolarHBondContact O-N 3.34Å; F159-V161 HydrophobicContact CD1-CG2 4.49Å; F159-V161 HydrophobicContact CD2-CG2 4.4Å; F159-V161 HydrophobicContact CE1-CG2 4.08Å; F159-V161 HydrophobicContact CE2-CG2 4.05Å; F159-V161 HydrophobicContact CZ-CG2 3.84Å
162	C	98.9	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.8	169.6	-73.5	0	0	0	0	109.5	Q93 N94 W108 I141 C143 Y164	Q93-C162 VanDerWaalsContact CA-O 3.31Å; Q93-C162 WeakPolarHBondContact CA-O 3.46Å; N94-C162 PolarHBondContact N-O 2.88Å; N94-C162 PolarHBondContact O-N 3.48Å; W108-C162 HydrophobicContact CH2-CB 4.15Å; W108-C162 HydrophobicContact CZ3-CB 4.24Å; I141-C162 HydrophobicContact CD1-CB 4.39Å; C143-C162 HydrophobicContact CB-CB 4.14Å; C143-C162 WeakPolarHBondContact CB-SG 3.45Å; C143-C162 WeakPolarHBondContact SG-CB 3.49Å; C143-C162 CovalentContact SG-SG 2.05Å; C143-C162 PolarHBondContact SG-SG 3.16Å; C162-Y164 HydrophobicContact CB-CE1 4.48Å; C162-Y164 HydrophobicContact CB-CE2 3.73Å; C162-Y164 VanDerWaalsContact CB-OH 3.31Å; C162-Y164 WeakPolarHBondContact CB-OH 3.49Å; C162-Y164 WeakPolarHBondContact O-CD2 3.33Å; C162-Y164 WeakPolarHBondContact O-CE2 3.46Å
163	N	98.9	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.5	175.6	-68.2	-35.2	0	0	0	109.6	L65 A69 V91 G92 Q93 I141 G142	L65-N163 HydrophobicContact CB-CB 4.08Å; L65-N163 HydrophobicContact CD2-CB 4.1Å; L65-N163 PolarHBondContact O-ND2 2.99Å; A69-N163 WeakPolarHBondContact CA-ND2 3.16Å; A69-N163 WeakPolarHBondContact CB-ND2 3.22Å; A69-N163 PolarHBondContact N-ND2 2.69Å; A69-N163 VanDerWaalsContact N-ND2 3.14Å; V91-N163 HydrophobicContact CG1-CB 3.8Å; G92-N163 CarbonylContact O-C 3.48Å; G92-N163 WeakPolarHBondContact O-CA 3.08Å; Q93-N163 WeakPolarHBondContact CG-OD1 3.36Å; Q93-N163 PolarHBondContact NE2-OD1 3.48Å; I141-N163 CarbonylContact C-O 3.55Å; I141-N163 VanDerWaalsContact CA-O 3.31Å; I141-N163 WeakPolarHBondContact CA-O 3.21Å; G142-N163 PolarHBondContact N-O 3.07Å; G142-N163 PolarHBondContact O-N 3.1Å
164	Y	98.9	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.2	-171.2	-57.8	-90.9	0	0	0	110.8	H35 L59 V91 G92 N94 Q132 T138 H140 I141 C162 P166 G167	H35-Y164 AromaticContact CD2-CE1 3.63Å; H35-Y164 AromaticContact NE2-CE1 3.47Å; H35-Y164 WeakPolarHBondContact NE2-CE1 3.49Å; H35-Y164 AromaticContact NE2-CZ 3.5Å; H35-Y164 PolarHBondContact NE2-OH 3.5Å; L59-Y164 HydrophobicContact CD1-CD1 4.44Å; V91-Y164 CarbonylContact C-O 3.53Å; V91-Y164 VanDerWaalsContact CA-O 3.28Å; V91-Y164 WeakPolarHBondContact CA-O 3.37Å; G92-Y164 PolarHBondContact N-O 3.14Å; G92-Y164 PolarHBondContact O-N 2.04Å; N94-Y164 HydrophobicContact CB-CE2 3.8Å; N94-Y164 PolarHBondContact ND2-OH 3.38Å; Q132-Y164 HydrophobicContact CG-CD1 4.02Å; Q132-Y164 HydrophobicContact CG-CD2 3.27Å; Q132-Y164 HydrophobicContact CG-CE1 4.24Å; Q132-Y164 HydrophobicContact CG-CE2 3.55Å; Q132-Y164 HydrophobicContact CG-CG 3.52Å; T138-Y164 HydrophobicContact CG2-CD1 4.12Å; T138-Y164 HydrophobicContact CG2-CG 4.42Å; H140-Y164 WeakPolarHBondContact O-CA 3.46Å; I141-Y164 HydrophobicContact CB-CD1 4.41Å; I141-Y164 HydrophobicContact CD1-CD1 4.11Å; I141-Y164 HydrophobicContact CD1-CE1 3.5Å; I141-Y164 VanDerWaalsContact CD1-CE1 3.5Å; I141-Y164 HydrophobicContact CG1-CD1 4.01Å; I141-Y164 HydrophobicContact CG1-CE1 3.87Å; C162-Y164 HydrophobicContact CB-CE1 4.48Å; C162-Y164 HydrophobicContact CB-CE2 3.73Å; C162-Y164 VanDerWaalsContact CB-OH 3.31Å; C162-Y164 WeakPolarHBondContact CB-OH 3.49Å; C162-Y164 WeakPolarHBondContact O-CD2 3.33Å; C162-Y164 WeakPolarHBondContact O-CE2 3.46Å; Y164-P166 CarbonylContact O-C 3.49Å; Y164-G167 PolarHBondContact O-N 3.38Å
165	A	98.6	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.3	179.3	0	0	0	0	0	113.2	L65 F88 T139 H140	L65-A165 HydrophobicContact CD1-CB 3.85Å; L65-A165 HydrophobicContact CD2-CB 4.44Å; F88-A165 HydrophobicContact CB-CB 3.8Å; F88-A165 HydrophobicContact CD1-CB 3.51Å; F88-A165 HydrophobicContact CD2-CB 3.61Å; F88-A165 HydrophobicContact CE1-CB 3.87Å; F88-A165 HydrophobicContact CE2-CB 3.95Å; F88-A165 HydrophobicContact CG-CB 3.36Å; F88-A165 HydrophobicContact CZ-CB 4.07Å; T139-A165 PolarHBondContact N-O 3.43Å; T139-A165 PolarHBondContact OG1-O 2.81Å; T139-A165 VanDerWaalsContact OG1-O 3.1Å; H140-A165 HydrophobicContact CB-CB 4.42Å; H140-A165 PolarHBondContact N-O 3.42Å; H140-A165 PolarHBondContact O-N 3.4Å
166	P	98.3	Very high	97.5	Very high	40 Å²	40	37 Å²	37	26%	0.26	19%	0.187	S	C	.	.	S	Bend	cis	-59.9	159.3	-19.6	29	-37.7	0	0	0	112	D90 K137 T138 Y164	D90-P166 WeakPolarHBondContact O-CA 3.38Å; K137-P166 HydrophobicContact CB-CG 4.19Å; K137-P166 WeakPolarHBondContact O-CD 3.42Å; K137-P166 VanDerWaalsContact O-CG 3.29Å; K137-P166 WeakPolarHBondContact O-CG 3.34Å; T138-P166 PolarHBondContact OG1-O 2.89Å; Y164-P166 CarbonylContact O-C 3.49Å
167	G	98.2	Very high	97.6	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-67.1	160.9	169.8	0	0	0	0	0	113.3	D90 G92 Y164	D90-G167 PolarHBondContact O-N 3.43Å; G92-G167 VanDerWaalsContact N-CA 3.26Å; Y164-G167 PolarHBondContact O-N 3.38Å
168	A	98.1	Very high	97.7	Very high	12 Å²	12	36.5 Å²	36.5	10%	0.099	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-66.6	152.5	174.5	0	0	0	0	0	112.5	Q132 W135 F170	Q132-A168 HydrophobicContact CB-CB 4.37Å; W135-A168 HydrophobicContact CB-CB 4.18Å; W135-A168 HydrophobicContact CD2-CB 3.61Å; W135-A168 HydrophobicContact CE3-CB 3.64Å; W135-A168 HydrophobicContact CG-CB 3.82Å; W135-A168 HydrophobicContact CZ3-CB 4.3Å; A168-F170 HydrophobicContact CB-CD1 4.16Å; A168-F170 HydrophobicContact CB-CE1 3.65Å; A168-F170 HydrophobicContact CB-CZ 3.9Å
169	K	97	Very high	97.6	Very high	85 Å²	85	38.5 Å²	38.5	37%	0.37	21%	0.209	S	C	.	.			trans	-119.4	89.4	174.3	-56.7	-61	175	-158.8	0	108.3	D90 W135 D171 K172	D90-K169 IonicContact OD1-NZ 2.78Å; D90-K169 PolarHBondContact OD1-NZ 2.8Å; D90-K169 WeakPolarHBondContact OD2-CE 3.37Å; D90-K169 IonicContact OD2-NZ 2.79Å; D90-K169 PolarHBondContact OD2-NZ 3.26Å; W135-K169 HydrophobicContact CH2-CB 3.98Å; W135-K169 WeakPolarHBondContact CH2-O 3.07Å; W135-K169 HydrophobicContact CZ2-CB 3.7Å; W135-K169 HydrophobicContact CZ2-CG 4.19Å; W135-K169 WeakPolarHBondContact CZ3-O 3.11Å; K169-D171 VanDerWaalsContact C-OD1 3.3Å; K169-D171 WeakPolarHBondContact CB-OD1 3.36Å; K169-D171 PolarHBondContact O-N 3.04Å; K169-K172 PolarHBondContact O-N 2.83Å
170	F	94.3	Very high	97.5	Very high	107 Å²	107	44.2 Å²	44.2	47%	0.469	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.7	-166.7	-56.8	-65.2	0	0	0	114.9	N120 G128 L131 A168 K172	N120-F170 PolarHBondContact ND2-O 2.97Å; N120-F170 VanDerWaalsContact ND2-O 3.15Å; G128-F170 WeakPolarHBondContact O-CE1 3.01Å; L131-F170 HydrophobicContact CB-CD1 3.97Å; L131-F170 HydrophobicContact CB-CE1 3.82Å; L131-F170 HydrophobicContact CD1-CD1 3.85Å; L131-F170 HydrophobicContact CD1-CE1 4.43Å; A168-F170 HydrophobicContact CB-CD1 4.16Å; A168-F170 HydrophobicContact CB-CE1 3.65Å; A168-F170 HydrophobicContact CB-CZ 3.9Å; F170-K172 PolarHBondContact O-N 3.28Å
171	D	94.2	Very high	97.3	Very high	119 Å²	119	47.2 Å²	47.2	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.2	169.6	63.5	-52.5	0	0	0	113.8	K169	K169-D171 VanDerWaalsContact C-OD1 3.3Å; K169-D171 WeakPolarHBondContact CB-OD1 3.36Å; K169-D171 PolarHBondContact O-N 3.04Å
172	K	95.1	Very high	97.2	Very high	111 Å²	111	50.7 Å²	50.7	48%	0.483	28%	0.275	S	S	.	.	S	Bend	trans	-130.2	154.5	179.6	-54.2	175.8	-176.2	-178.3	0	110.9	N120 W135 K169 F170	N120-K172 PolarHBondContact ND2-N 3.39Å; N120-K172 PolarHBondContact OD1-O 2.89Å; W135-K172 HydrophobicContact CH2-CB 4.08Å; W135-K172 WeakPolarHBondContact CH2-O 3.43Å; W135-K172 WeakPolarHBondContact CZ3-O 3.42Å; K169-K172 PolarHBondContact O-N 2.83Å; F170-K172 PolarHBondContact O-N 3.28Å
173	S	96.1	Very high	96.9	Very high	55 Å²	55	51 Å²	51	39%	0.385	28%	0.277	S	S	.	.			trans	-57.9	144.7	172	-50.5	0	0	0	0	111.5	Y175	S173-Y175 VanDerWaalsContact C-N 3.31Å; S173-Y175 PolarHBondContact O-N 3.5Å
174	P	98	Very high	96.4	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.019	31%	0.309	C	S	.	.	S	Bend	trans	-69.7	-24.4	-171.2	26.6	-36.1	0	0	0	114.8	Y115 F117 L131 V134 W135 Q136	Y115-P174 HydrophobicContact CE1-CG 3.98Å; Y115-P174 WeakPolarHBondContact OH-CD 3.44Å; F117-P174 HydrophobicContact CD2-CG 4.38Å; F117-P174 HydrophobicContact CE2-CG 3.93Å; L131-P174 HydrophobicContact CD2-CB 3.97Å; L131-P174 HydrophobicContact CD2-CG 3.69Å; V134-P174 HydrophobicContact CG2-CB 3.92Å; V134-P174 HydrophobicContact CG2-CG 4.21Å; W135-P174 VanDerWaalsContact CE3-CA 3.48Å; W135-P174 HydrophobicContact CE3-CB 3.88Å; W135-P174 VanDerWaalsContact CZ3-CA 3.45Å; W135-P174 HydrophobicContact CZ3-CB 4.15Å; Q136-P174 WeakPolarHBondContact CB-O 3.41Å; Q136-P174 PolarHBondContact N-O 3.49Å
175	Y	98.5	Very high	95	Very high	6 Å²	6	60.9 Å²	60.9	2%	0.024	34%	0.336	C	S	.	.	S	Bend	trans	-156.6	159.4	-178.7	47.4	-101.3	0	0	0	110.9	P51 A53 F117 V134 S173 V177	P51-Y175 HydrophobicContact CG-CE2 4.35Å; P51-Y175 WeakPolarHBondContact O-CE2 3.34Å; P51-Y175 PolarHBondContact O-OH 3.16Å; A53-Y175 HydrophobicContact CB-CD1 4.27Å; A53-Y175 HydrophobicContact CB-CD2 3.43Å; A53-Y175 VanDerWaalsContact CB-CD2 3.43Å; A53-Y175 HydrophobicContact CB-CE2 3.75Å; A53-Y175 HydrophobicContact CB-CG 3.72Å; F117-Y175 HydrophobicContact CD2-CE2 4.13Å; F117-Y175 AromaticContact CE2-CD2 3.78Å; F117-Y175 HydrophobicContact CE2-CD2 3.78Å; F117-Y175 HydrophobicContact CE2-CE1 4.18Å; F117-Y175 AromaticContact CE2-CE2 3.35Å; F117-Y175 HydrophobicContact CE2-CE2 3.35Å; F117-Y175 HydrophobicContact CE2-CG 4.38Å; F117-Y175 AromaticContact CE2-CZ 3.56Å; F117-Y175 HydrophobicContact CZ-CD2 4.12Å; F117-Y175 HydrophobicContact CZ-CE2 4Å; F117-Y175 WeakPolarHBondContact CZ-O 3.46Å; V134-Y175 HydrophobicContact CB-CD1 4.14Å; V134-Y175 HydrophobicContact CB-CE1 4.03Å; V134-Y175 HydrophobicContact CG2-CD1 4.22Å; V134-Y175 HydrophobicContact CG2-CE1 3.9Å; V134-Y175 WeakPolarHBondContact O-CD1 3.23Å; S173-Y175 VanDerWaalsContact C-N 3.31Å; S173-Y175 PolarHBondContact O-N 3.5Å; Y175-V177 HydrophobicContact CD2-CG1 4.13Å; Y175-V177 HydrophobicContact CE2-CG1 4.01Å
176	D	98.1	Very high	93.2	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	36%	0.36	S	S	.	.			trans	-72.1	142.8	168.8	-56.5	-46.3	0	0	0	109.6	K54 Q136	K54-D176 HydrophobicContact CB-CB 4.26Å; K54-D176 WeakPolarHBondContact CB-O 3.48Å; K54-D176 PolarHBondContact N-O 2.03Å; Q136-D176 PolarHBondContact NE2-OD2 2.99Å; Q136-D176 PolarHBondContact OE1-OD2 3.43Å
177	V	98.2	Very high	90.9	Very high	27 Å²	27	71.3 Å²	71.3	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	152.2	-177.7	-61.7	0	0	0	0	112.8	P51 Q52 F117 Y175 S179	P51-V177 HydrophobicContact CB-CB 4.31Å; P51-V177 HydrophobicContact CB-CG1 3.73Å; P51-V177 HydrophobicContact CG-CG1 3.56Å; Q52-V177 WeakPolarHBondContact O-CA 3.16Å; F117-V177 HydrophobicContact CD1-CG1 4.36Å; F117-V177 HydrophobicContact CE1-CG1 3.5Å; F117-V177 VanDerWaalsContact CE1-CG1 3.5Å; F117-V177 HydrophobicContact CE2-CG1 4.01Å; F117-V177 HydrophobicContact CZ-CG1 3.29Å; Y175-V177 HydrophobicContact CD2-CG1 4.13Å; Y175-V177 HydrophobicContact CE2-CG1 4.01Å; V177-S179 WeakPolarHBondContact CB-O 3.39Å
178	V	97.5	Very high	88.4	Confident	87 Å²	87	78.1 Å²	78.1	53%	0.527	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-45.1	167.3	178	0	0	0	0	109.7	Q52 K54	Q52-V178 HydrophobicContact CB-CB 4.47Å; Q52-V178 HydrophobicContact CB-CG2 4.41Å; Q52-V178 HydrophobicContact CG-CG2 4.08Å; Q52-V178 PolarHBondContact O-N 3.47Å; K54-V178 HydrophobicContact CB-CG2 4.22Å
179	S	96.5	Very high	86	Confident	57 Å²	57	81.6 Å²	81.6	40%	0.399	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.9	169.4	72.4	0	0	0	0	108.7	P51 V177 A181	P51-S179 WeakPolarHBondContact CB-O 3.2Å; V177-S179 WeakPolarHBondContact CB-O 3.39Å; S179-A181 PolarHBondContact O-N 3.11Å; S179-A181 WeakPolarHBondContact OG-CB 3.25Å; S179-A181 PolarHBondContact OG-N 2.7Å
180	H	95.7	Very high	83.3	Confident	119 Å²	119	83.9 Å²	83.9	55%	0.551	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	1.6	175.4	-68.4	84.7	0	0	0	113	D118 K182	D118-H180 IonicContact OD1-CD2 3Å; H180-K182 PolarHBondContact O-N 2.87Å
181	A	96	Very high	81.2	Confident	64 Å²	64	85 Å²	85	53%	0.529	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.2	174.1	0	0	0	0	0	109.7	P51 S179	P51-A181 WeakPolarHBondContact CA-O 3.41Å; S179-A181 PolarHBondContact O-N 3.11Å; S179-A181 WeakPolarHBondContact OG-CB 3.25Å; S179-A181 PolarHBondContact OG-N 2.7Å
182	K	95.3	Very high	79	Confident	72 Å²	72	86.7 Å²	86.7	31%	0.313	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141	-179.6	-52.1	-51.1	-174.1	-171.4	0	110.1	G49 D118 H180 S184	G49-K182 WeakPolarHBondContact O-CD 3.16Å; D118-K182 IonicContact OD1-NZ 3.81Å; D118-K182 PolarHBondContact OD1-NZ 2.79Å; D118-K182 VanDerWaalsContact OD2-CE 3.23Å; D118-K182 WeakPolarHBondContact OD2-CE 3.31Å; D118-K182 IonicContact OD2-NZ 3.9Å; D118-K182 PolarHBondContact OD2-NZ 2.78Å; H180-K182 PolarHBondContact O-N 2.87Å; K182-S184 PolarHBondContact O-N 2.78Å
183	C	94.1	Very high	77.3	Confident	6 Å²	6	85.6 Å²	85.6	4%	0.041	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-60.9	125.7	171.5	-59.9	0	0	0	0	109.1	C45 I47 G49 Q50	C45-C183 WeakPolarHBondContact CA-SG 3.49Å; C45-C183 HydrophobicContact CB-CB 4.14Å; C45-C183 WeakPolarHBondContact CB-SG 3.4Å; C45-C183 WeakPolarHBondContact O-CB 3.49Å; C45-C183 PolarHBondContact O-SG 2.78Å; C45-C183 WeakPolarHBondContact SG-CA 3.37Å; C45-C183 WeakPolarHBondContact SG-CB 3.2Å; C45-C183 CovalentContact SG-SG 2.04Å; C45-C183 PolarHBondContact SG-SG 3.48Å; I47-C183 WeakPolarHBondContact O-CB 3.15Å; G49-C183 PolarHBondContact N-O 2.88Å; Q50-C183 VanDerWaalsContact O-CB 3.29Å; Q50-C183 WeakPolarHBondContact O-CB 3.49Å; Q50-C183 PolarHBondContact O-N 3.13Å; Q50-C183 PolarHBondContact O-SG 3.19Å
184	S	87.8	Confident	75.4	Confident	97 Å²	97	87.8 Å²	87.8	68%	0.678	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-58.1	153.4	-178.7	58.5	0	0	0	0	109.8	K182 L186	K182-S184 PolarHBondContact O-N 2.78Å; S184-L186 PolarHBondContact O-N 3.38Å
185	I	70.3	Confident	73.6	Confident	111 Å²	111	92.6 Å²	92.6	57%	0.569	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-49.3	134.6	158	-61.4	166	0	0	0	105.4	T48 E187	T48-I185 HydrophobicContact CG2-CB 4.14Å; T48-I185 HydrophobicContact CG2-CG1 3.55Å; I185-E187 HydrophobicContact CB-CG 4.31Å; I185-E187 HydrophobicContact CG2-CG 4.28Å; I185-E187 PolarHBondContact O-N 3.28Å
186	L	60.6	Low	72.1	Confident	94 Å²	94	100.5 Å²	100.5	49%	0.492	51%	0.511	S	S	.	.			trans	-62.5	72.8	165.4	-79.5	159.7	0	0	0	107.3	S184 L188 K189	S184-L186 PolarHBondContact O-N 3.38Å; L186-L188 PolarHBondContact O-N 3.33Å; L186-K189 HydrophobicContact CD2-CD 4.49Å
187	E	48.3	Very low	70.9	Confident	166 Å²	166	98.8 Å²	98.8	78%	0.776	52%	0.517	S	S	*	.			trans	-64.5	94.4	166	-74.4	-165.7	162.6	0	0	105.3	I185	I185-E187 HydrophobicContact CB-CG 4.31Å; I185-E187 HydrophobicContact CG2-CG 4.28Å; I185-E187 PolarHBondContact O-N 3.28Å
188	L	47.3	Very low	68.2	Low	146 Å²	146	104.3 Å²	104.3	76%	0.764	54%	0.541	S	S	*	.			trans	61.4	58.6	158.6	-56.9	165.4	0	0	0	116.1	L186	L186-L188 PolarHBondContact O-N 3.33Å
189	K	47.3	Very low	66.2	Low	84 Å²	84	103.7 Å²	103.7	37%	0.365	53%	0.534	S	S	.	.	S	Bend	trans	-71.3	-17.5	149.8	-92.9	-160.6	168	-146.5	0	112.9	L186 K191 Y203 L204	L186-K189 HydrophobicContact CD2-CD 4.49Å; K189-K191 PolarHBondContact O-N 2.84Å; K189-Y203 HydrophobicContact CD-CE2 4.12Å; K189-L204 PolarHBondContact NZ-O 3.38Å
190	W	40.3	Very low	63.9	Low	134 Å²	134	103 Å²	103	51%	0.508	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	101.6	171.3	-61.1	99.7	0	0	0	109	Y201 Y203	W190-Y201 HydrophobicContact CB-CD1 4.33Å; W190-Y201 VanDerWaalsContact CE3-C 3.45Å; W190-Y201 VanDerWaalsContact CE3-CB 3.49Å; W190-Y201 VanDerWaalsContact CZ3-O 3.28Å; W190-Y201 WeakPolarHBondContact CZ3-O 3.29Å; W190-Y203 HydrophobicContact CZ2-CD2 4.44Å
191	K	49.3	Very low	61.9	Low	131 Å²	131	103.5 Å²	103.5	57%	0.57	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.5	158.1	-92.1	-174.9	175.2	179.6	0	107.7	K189 F193	K189-K191 PolarHBondContact O-N 2.84Å; K191-F193 HydrophobicContact CB-CD2 4.02Å; K191-F193 HydrophobicContact CB-CE1 4.03Å; K191-F193 HydrophobicContact CB-CE2 3.23Å; K191-F193 HydrophobicContact CB-CZ 3.25Å; K191-F193 HydrophobicContact CD-CE1 3.99Å; K191-F193 HydrophobicContact CD-CE2 4.43Å; K191-F193 HydrophobicContact CD-CZ 3.57Å; K191-F193 HydrophobicContact CG-CE2 4.45Å; K191-F193 HydrophobicContact CG-CZ 4.04Å; K191-F193 WeakPolarHBondContact O-CD2 3.41Å; K191-F193 WeakPolarHBondContact O-CE2 3.35Å
192	R	49	Very low	59.7	Low	154 Å²	154	103.5 Å²	103.5	58%	0.581	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.6	165.8	-176.7	176.4	172.5	-178.7	-1.5	107.5	N199 Y201	R192-N199 VanDerWaalsContact CZ-OD1 3.31Å; R192-N199 PolarHBondContact NE-OD1 3.24Å; R192-N199 PolarHBondContact NH2-ND2 2.64Å; R192-N199 PolarHBondContact NH2-OD1 2.86Å; R192-Y201 HydrophobicContact CB-CD1 4.18Å; R192-Y201 HydrophobicContact CB-CE1 3.85Å; R192-Y201 HydrophobicContact CG-CE1 3.92Å
193	F	59.8	Low	57.1	Low	88 Å²	88	106.5 Å²	106.5	39%	0.386	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.2	171	-57.5	-83.6	0	0	0	108.2	K191 C200 C202	K191-F193 HydrophobicContact CB-CD2 4.02Å; K191-F193 HydrophobicContact CB-CE1 4.03Å; K191-F193 HydrophobicContact CB-CE2 3.23Å; K191-F193 HydrophobicContact CB-CZ 3.25Å; K191-F193 HydrophobicContact CD-CE1 3.99Å; K191-F193 HydrophobicContact CD-CE2 4.43Å; K191-F193 HydrophobicContact CD-CZ 3.57Å; K191-F193 HydrophobicContact CG-CE2 4.45Å; K191-F193 HydrophobicContact CG-CZ 4.04Å; K191-F193 WeakPolarHBondContact O-CD2 3.41Å; K191-F193 WeakPolarHBondContact O-CE2 3.35Å; F193-C200 PolarHBondContact N-O 3.07Å; F193-C200 PolarHBondContact O-N 2.87Å; F193-C202 HydrophobicContact CD2-CB 4.39Å; F193-C202 HydrophobicContact CE2-CB 4.16Å
194	N	55.2	Low	54.9	Low	100 Å²	100	113.6 Å²	113.6	54%	0.535	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	114.9	167.9	-168.6	-56.5	0	0	0	107.7	G197 Q198	N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 3.04Å; N194-Q198 WeakPolarHBondContact CA-O 3.23Å
195	L	60.4	Low	53.2	Low	105 Å²	105	114.4 Å²	114.4	55%	0.55	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	114.7	172.2	-72.9	167.9	0	0	0	107	G197 Q198 C200	L195-G197 VanDerWaalsContact C-N 3.33Å; L195-G197 PolarHBondContact O-N 3.1Å; L195-Q198 PolarHBondContact N-O 2.95Å; L195-Q198 PolarHBondContact O-N 3.28Å; L195-C200 HydrophobicContact CD1-CB 4.45Å
196	N	68	Low	52.3	Low	171 Å²	171	114.6 Å²	114.6	91%	0.914	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.2	40.3	177.4	-60.4	-21.2	0	0	0	114.9	Q198	N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 3.28Å
197	G	71.1	Confident	51.9	Low	62 Å²	62	115.7 Å²	115.7	64%	0.639	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.7	-0.8	180	0	0	0	0	0	114.2	N194 L195	N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 3.04Å; L195-G197 VanDerWaalsContact C-N 3.33Å; L195-G197 PolarHBondContact O-N 3.1Å
198	Q	41.8	Very low	52.1	Low	143 Å²	143	112.8 Å²	112.8	67%	0.668	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.5	135.8	174.8	-67.3	-175.5	-4.6	0	0	111	N194 L195 N196 C200	N194-Q198 WeakPolarHBondContact CA-O 3.23Å; L195-Q198 PolarHBondContact N-O 2.95Å; L195-Q198 PolarHBondContact O-N 3.28Å; N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 3.28Å; Q198-C200 PolarHBondContact O-N 2.89Å
199	N	55.7	Low	52.4	Low	74 Å²	74	110.7 Å²	110.7	40%	0.396	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.8	173	-62.6	-60.7	0	0	0	109	R192 Y201	R192-N199 VanDerWaalsContact CZ-OD1 3.31Å; R192-N199 PolarHBondContact NE-OD1 3.24Å; R192-N199 PolarHBondContact NH2-ND2 2.64Å; R192-N199 PolarHBondContact NH2-OD1 2.86Å; N199-Y201 HydrophobicContact CB-CE2 4.46Å
200	C	48.3	Very low	52.7	Low	43 Å²	43	112.5 Å²	112.5	29%	0.291	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	145	171.5	-59.8	0	0	0	0	109.5	F193 L195 Q198	F193-C200 PolarHBondContact N-O 3.07Å; F193-C200 PolarHBondContact O-N 2.87Å; L195-C200 HydrophobicContact CD1-CB 4.45Å; Q198-C200 PolarHBondContact O-N 2.89Å
201	Y	55.1	Low	53.6	Low	129 Å²	129	110.9 Å²	110.9	51%	0.506	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	121.8	174.2	-60.7	-88.5	0	0	0	107.1	W190 R192 N199	W190-Y201 HydrophobicContact CB-CD1 4.33Å; W190-Y201 VanDerWaalsContact CE3-C 3.45Å; W190-Y201 VanDerWaalsContact CE3-CB 3.49Å; W190-Y201 VanDerWaalsContact CZ3-O 3.28Å; W190-Y201 WeakPolarHBondContact CZ3-O 3.29Å; R192-Y201 HydrophobicContact CB-CD1 4.18Å; R192-Y201 HydrophobicContact CB-CE1 3.85Å; R192-Y201 HydrophobicContact CG-CE1 3.92Å; N199-Y201 HydrophobicContact CB-CE2 4.46Å
202	C	48.6	Very low	53.9	Low	64 Å²	64	109.4 Å²	109.4	43%	0.432	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	142.4	175.5	-65.1	0	0	0	0	110.4	F193	F193-C202 HydrophobicContact CD2-CB 4.39Å; F193-C202 HydrophobicContact CE2-CB 4.16Å
203	Y	41.8	Very low	54.4	Low	135 Å²	135	105.7 Å²	105.7	53%	0.529	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	131.2	170.5	-172	-90.1	0	0	0	109	K189 W190	K189-Y203 HydrophobicContact CD-CE2 4.12Å; W190-Y203 HydrophobicContact CZ2-CD2 4.44Å
204	L	46.6	Very low	53.9	Low	154 Å²	154	107.3 Å²	107.3	81%	0.806	57%	0.57	S	S	*	*			trans	-87.3	0	166.8	-70.9	171.3	0	0	0	111.5	K189	K189-L204 PolarHBondContact NZ-O 3.38Å

Retrieved 204 of 204 residues in 42 ms (Link to these results)

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