A0A087YDG8_POEFO Loading...

EEF1A lysine methyltransferase 3

AlphaFold DB , UniProt , Accession A0A087YDG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	42.8	Very low	245 Å²	245	150.9 Å²	150.9	100%	1.207	81%	0.81	S	S	*	*				0	116.5	0	-161.4	161.4	-177.2	0	0	105.4
2	I	41.4	Very low	42.9	Very low	163 Å²	163	146.7 Å²	146.7	84%	0.836	80%	0.797	S	S	*	*			trans	-92.6	132.1	-165	-58.8	159.5	0	0	0	107.3
3	C	34.5	Very low	43.4	Very low	129 Å²	129	145.1 Å²	145.1	87%	0.872	79%	0.794	S	S	*	*			trans	-143.5	85.7	158.8	-71.7	0	0	0	0	104.1
4	A	36.9	Very low	43.5	Very low	84 Å²	84	143.4 Å²	143.4	69%	0.694	78%	0.784	S	S	*	*				79.6	103.7	86.7	0	0	0	0	0	110.3
5	E	44.4	Very low	43.6	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	79%	0.791	S	S	*	*			trans	-62.4	127.2	167.7	-66.5	155.4	156.9	0	0	108.4	E7	E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 HydrophobicContact CB-CG 4.46Å; E5-E7 PolarHBondContact O-N 2.96Å
6	D	39.6	Very low	43.7	Very low	171 Å²	171	145.3 Å²	145.3	91%	0.914	79%	0.792	S	S	*	*			trans	-82.7	83	163.2	-78.3	-36.7	0	0	0	107.4	D8	D6-D8 PolarHBondContact O-N 3.1Å
7	E	51	Low	43.8	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.752	79%	0.787	S	S	*	*			trans	-78	96.5	160.3	-73.9	-173.8	145.9	0	0	108.2	E5	E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 HydrophobicContact CB-CG 4.46Å; E5-E7 PolarHBondContact O-N 2.96Å
8	D	47.8	Very low	43.8	Very low	165 Å²	165	144.2 Å²	144.2	88%	0.882	79%	0.792	S	S	*	*			trans	179.1	60.4	153.8	-94.4	-30.5	0	0	0	110.2	D6	D6-D8 PolarHBondContact O-N 3.1Å
9	D	44.3	Very low	44.1	Very low	110 Å²	110	141.3 Å²	141.3	59%	0.588	78%	0.783	S	S	*	*			trans	-94.3	111.2	155.9	-167.8	-14.4	0	0	0	108	F11	D9-F11 PolarHBondContact O-N 2.93Å; D9-F11 VanDerWaalsContact O-N 3.1Å; D9-F11 PolarHBondContact OD1-N 3.43Å
10	P	46.2	Very low	44.7	Very low	107 Å²	107	138.8 Å²	138.8	70%	0.695	77%	0.771	S	S	*	*	S	Bend	trans	-69	-2.6	178.8	28.4	-33.9	0	0	0	113.3
11	F	45.8	Very low	45.9	Very low	156 Å²	156	139.8 Å²	139.8	68%	0.684	77%	0.77	S	S	*	*	S	Bend	trans	-117.5	96.8	172.5	-58.4	-78.1	0	0	0	108.9	D9 V13	D9-F11 PolarHBondContact O-N 2.93Å; D9-F11 VanDerWaalsContact O-N 3.1Å; D9-F11 PolarHBondContact OD1-N 3.43Å; F11-V13 PolarHBondContact O-N 2.96Å
12	P	43	Very low	47.8	Very low	100 Å²	100	132.5 Å²	132.5	65%	0.649	74%	0.74	S	S	*	*			trans	-55.9	115.1	164.6	23.5	-30.3	0	0	0	107	D14	P12-D14 PolarHBondContact O-N 2.8Å
13	V	50.6	Low	50.1	Low	126 Å²	126	131.4 Å²	131.4	76%	0.764	73%	0.726	S	S	*	*			trans	-67.4	84.9	161.2	-85.2	0	0	0	0	105.9	F11 D15	F11-V13 PolarHBondContact O-N 2.96Å; V13-D15 PolarHBondContact O-N 2.69Å
14	D	43.5	Very low	52.7	Low	121 Å²	121	128.2 Å²	128.2	65%	0.647	71%	0.705	S	S	*	*			trans	-60.1	92	159.5	-77.3	-30.8	0	0	0	106.1	P12 D16	P12-D14 PolarHBondContact O-N 2.8Å; D14-D16 PolarHBondContact O-N 2.79Å
15	D	45.2	Very low	55.4	Low	166 Å²	166	128.9 Å²	128.9	89%	0.888	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	24.4	177.1	-141.2	9.8	0	0	0	111.8	V13	V13-D15 PolarHBondContact O-N 2.69Å
16	D	46.4	Very low	57.8	Low	152 Å²	152	126.3 Å²	126.3	81%	0.813	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	12.2	-170.3	-151.1	26.2	0	0	0	114.5	D14	D14-D16 PolarHBondContact O-N 2.79Å
17	C	44.6	Very low	60.6	Low	103 Å²	103	120 Å²	120	70%	0.696	65%	0.649	S	S	*	*			trans	-136.8	27.8	-173.5	-99.1	0	0	0	0	117.4	S19	C17-S19 VanDerWaalsContact C-N 3.35Å
18	L	44.6	Very low	62.8	Low	168 Å²	168	115.5 Å²	115.5	88%	0.88	63%	0.633	S	S	*	*			trans	-97.7	70	150.3	-76.7	170.4	0	0	0	108.5	T20	L18-T20 VanDerWaalsContact C-N 3.32Å; L18-T20 PolarHBondContact O-N 3.04Å
19	S	48	Very low	65.2	Low	89 Å²	89	109.4 Å²	109.4	62%	0.622	60%	0.598	S	S	*	*			trans	-55.5	106.7	157.8	58.4	0	0	0	0	106.3	C17 E21	C17-S19 VanDerWaalsContact C-N 3.35Å; S19-E21 PolarHBondContact O-N 2.73Å
20	T	57.5	Low	67.7	Low	90 Å²	90	110.6 Å²	110.6	55%	0.552	60%	0.603	S	S	*	*			trans	-65.2	87	167.8	35.7	0	0	0	0	105.7	L18 T22 A44	L18-T20 VanDerWaalsContact C-N 3.32Å; L18-T20 PolarHBondContact O-N 3.04Å; T20-T22 PolarHBondContact O-N 3.14Å; T20-T22 PolarHBondContact O-OG1 3.1Å; T20-A44 HydrophobicContact CG2-CB 3.84Å
21	E	68.8	Low	70	Confident	160 Å²	160	106 Å²	106	75%	0.748	57%	0.572	S	S	*	*			trans	-53.3	102.1	-173.9	-72.4	-168.8	165.1	0	0	108.4	S19	S19-E21 PolarHBondContact O-N 2.73Å
22	T	80.1	Confident	72.3	Confident	93 Å²	93	100.7 Å²	100.7	57%	0.571	55%	0.55	S	S	*	*			trans	-87.2	115.3	175.6	-60.5	0	0	0	0	105.7	T20 F42	T20-T22 PolarHBondContact O-N 3.14Å; T20-T22 PolarHBondContact O-OG1 3.1Å; T22-F42 CarbonylContact C-O 3.58Å; T22-F42 VanDerWaalsContact CA-O 3.3Å; T22-F42 WeakPolarHBondContact CA-O 3.4Å
23	Y	88.3	Confident	74.7	Confident	140 Å²	140	99.3 Å²	99.3	55%	0.549	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	154.7	174.8	75	-87.9	0	0	0	109.7	F42	Y23-F42 HydrophobicContact CD1-CB 3.9Å; Y23-F42 HydrophobicContact CD2-CB 4.34Å; Y23-F42 HydrophobicContact CD2-CD2 4.05Å; Y23-F42 HydrophobicContact CE1-CB 3.44Å; Y23-F42 VanDerWaalsContact CE1-CB 3.44Å; Y23-F42 HydrophobicContact CE1-CD2 4.42Å; Y23-F42 HydrophobicContact CE1-CG 4.16Å; Y23-F42 HydrophobicContact CE2-CB 3.93Å; Y23-F42 AromaticContact CE2-CD2 3.35Å; Y23-F42 HydrophobicContact CE2-CD2 3.35Å; Y23-F42 HydrophobicContact CE2-CE2 4.14Å; Y23-F42 AromaticContact CE2-CG 3.91Å; Y23-F42 HydrophobicContact CE2-CG 3.91Å; Y23-F42 HydrophobicContact CG-CB 4.33Å; Y23-F42 VanDerWaalsContact CZ-CB 3.45Å; Y23-F42 AromaticContact CZ-CD2 3.57Å; Y23-F42 AromaticContact CZ-CG 3.63Å; Y23-F42 PolarHBondContact N-O 3.3Å; Y23-F42 PolarHBondContact O-N 2.84Å; Y23-F42 VanDerWaalsContact O-O 3.13Å
24	S	89.9	Confident	76.8	Confident	61 Å²	61	95.3 Å²	95.3	43%	0.427	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.7	175.2	65.3	0	0	0	0	111	K39 Q40	S24-K39 WeakPolarHBondContact OG-CE 3.35Å; S24-Q40 CarbonylContact C-O 3.56Å; S24-Q40 VanDerWaalsContact CA-O 3.24Å; S24-Q40 WeakPolarHBondContact CA-O 3.41Å
25	Q	93.2	Very high	79.3	Confident	98 Å²	98	94 Å²	94	46%	0.458	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.9	168.5	-171.5	177.3	20.7	0	0	108.9	Q40 F42	Q25-Q40 PolarHBondContact N-O 3.42Å; Q25-Q40 PolarHBondContact O-N 2.85Å; Q25-F42 HydrophobicContact CB-CD2 4.47Å; Q25-F42 HydrophobicContact CB-CE2 3.96Å
26	E	96	Very high	81.8	Confident	116 Å²	116	86 Å²	86	54%	0.542	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.5	168.8	-173.6	174.4	101.5	0	0	109	I38	E26-I38 WeakPolarHBondContact CA-O 3.14Å
27	T	97.3	Very high	84.3	Confident	37 Å²	37	84 Å²	84	23%	0.227	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.2	175.7	-57.1	0	0	0	0	109	Y29 I38 Q40	T27-Y29 HydrophobicContact CG2-CD2 4.17Å; T27-Y29 HydrophobicContact CG2-CE1 4.02Å; T27-Y29 HydrophobicContact CG2-CE2 3.59Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.5Å; T27-I38 PolarHBondContact N-O 3.09Å; T27-I38 PolarHBondContact O-N 3.24Å; T27-Q40 PolarHBondContact OG1-NE2 2.97Å
28	V	97.9	Very high	86.8	Confident	67 Å²	67	79 Å²	79	41%	0.406	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123	174	-174.4	0	0	0	0	109	E35 L36 R37	V28-E35 HydrophobicContact CG1-CG 3.29Å; V28-L36 CarbonylContact C-O 3.54Å; V28-L36 WeakPolarHBondContact CA-O 3.09Å; V28-R37 HydrophobicContact CG2-CG 4.2Å
29	Y	97.8	Very high	89.3	Confident	38 Å²	38	75 Å²	75	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.3	175.6	-61.8	-88.1	0	0	0	109.3	T27 L36 I38 V52 L57	T27-Y29 HydrophobicContact CG2-CD2 4.17Å; T27-Y29 HydrophobicContact CG2-CE1 4.02Å; T27-Y29 HydrophobicContact CG2-CE2 3.59Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.5Å; Y29-L36 PolarHBondContact N-O 3.29Å; Y29-L36 PolarHBondContact O-N 2.91Å; Y29-I38 HydrophobicContact CD2-CB 4.11Å; Y29-I38 HydrophobicContact CD2-CG1 3.82Å; Y29-I38 HydrophobicContact CE2-CB 3.93Å; Y29-I38 HydrophobicContact CE2-CG1 4.08Å; Y29-V52 HydrophobicContact CE1-CG1 4.34Å; Y29-V52 HydrophobicContact CE2-CB 4.41Å; Y29-V52 HydrophobicContact CE2-CG2 3.82Å; Y29-V52 WeakPolarHBondContact OH-CB 3.29Å; Y29-L57 HydrophobicContact CD1-CD1 4.19Å; Y29-L57 HydrophobicContact CD1-CD2 3.63Å; Y29-L57 HydrophobicContact CE1-CD1 3.83Å; Y29-L57 HydrophobicContact CE1-CD2 3.84Å; Y29-L57 HydrophobicContact CE1-CG 4.45Å; Y29-L57 HydrophobicContact CG-CD2 4.35Å
30	I	97	Very high	91.5	Very high	135 Å²	135	71.2 Å²	71.2	69%	0.692	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.1	171.9	-57.8	173.5	0	0	0	106.8	E34	I30-E34 WeakPolarHBondContact CA-O 3.27Å
31	L	95.6	Very high	93.2	Very high	9 Å²	9	69.4 Å²	69.4	5%	0.047	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.5	-174.4	-61	172.8	0	0	0	109	G33 E34 L36 L57 C60 V84 L88	L31-G33 PolarHBondContact O-N 2.85Å; L31-G33 VanDerWaalsContact O-N 3.14Å; L31-E34 PolarHBondContact N-O 2.82Å; L31-E34 WeakPolarHBondContact O-CA 3.12Å; L31-E34 WeakPolarHBondContact O-CB 3.43Å; L31-E34 PolarHBondContact O-N 3Å; L31-L36 HydrophobicContact CD1-CD1 4.22Å; L31-L57 HydrophobicContact CD1-CD2 4.27Å; L31-L57 HydrophobicContact CD2-CD2 4.44Å; L31-C60 HydrophobicContact CD1-CB 4.04Å; L31-C60 HydrophobicContact CD2-CB 4.18Å; L31-V84 HydrophobicContact CD1-CG2 4.06Å; L31-L88 HydrophobicContact CB-CD1 4.01Å; L31-L88 HydrophobicContact CB-CD2 3.9Å; L31-L88 HydrophobicContact CD1-CD2 4.27Å
32	M	93.4	Very high	94.1	Very high	46 Å²	46	63.9 Å²	63.9	23%	0.227	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.3	179.4	-58.8	-177.2	67.7	0	0	113.9	E34 F63 E64 L88 L92	M32-E34 PolarHBondContact O-N 3Å; M32-F63 HydrophobicContact SD-CB 4.1Å; M32-E64 WeakPolarHBondContact CA-OE1 3.31Å; M32-E64 HydrophobicContact CE-CB 4.38Å; M32-E64 HydrophobicContact CG-CB 3.63Å; M32-E64 HydrophobicContact CG-CG 3.86Å; M32-E64 HydrophobicContact SD-CB 4.16Å; M32-L88 HydrophobicContact CB-CD1 4.4Å; M32-L88 HydrophobicContact CG-CD2 4.41Å; M32-L88 HydrophobicContact SD-CD2 4.11Å; M32-L92 HydrophobicContact CB-CD1 4.33Å; M32-L92 HydrophobicContact CB-CD2 4.31Å; M32-L92 HydrophobicContact CE-CD1 3.62Å; M32-L92 HydrophobicContact CE-CD2 4.45Å; M32-L92 HydrophobicContact CG-CD1 4.49Å; M32-L92 HydrophobicContact SD-CD1 3.44Å; M32-L92 WeakPolarHBondContact SD-CD1 3.48Å
33	G	92.2	Very high	94.1	Very high	70 Å²	70	60.7 Å²	60.7	72%	0.722	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-1.2	-175.8	0	0	0	0	0	115.3	L31	L31-G33 PolarHBondContact O-N 2.85Å; L31-G33 VanDerWaalsContact O-N 3.14Å
34	E	94.8	Very high	93.3	Very high	43 Å²	43	57.5 Å²	57.5	20%	0.201	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.7	176.8	-64.1	-66.9	178.4	0	0	111.3	I30 L31 M32 L36 L88 R91 L92	I30-E34 WeakPolarHBondContact CA-O 3.27Å; L31-E34 PolarHBondContact N-O 2.82Å; L31-E34 WeakPolarHBondContact O-CA 3.12Å; L31-E34 WeakPolarHBondContact O-CB 3.43Å; L31-E34 PolarHBondContact O-N 3Å; M32-E34 PolarHBondContact O-N 3Å; E34-L36 HydrophobicContact CB-CD2 4.3Å; E34-L88 HydrophobicContact CB-CD1 4.07Å; E34-L88 HydrophobicContact CG-CD1 4.32Å; E34-R91 VanDerWaalsContact CD-NH1 3.32Å; E34-R91 HydrophobicContact CG-CB 4Å; E34-R91 IonicContact OE1-NH1 3.43Å; E34-R91 PolarHBondContact OE1-NH1 2.99Å; E34-R91 IonicContact OE2-CZ 2.9Å; E34-R91 IonicContact OE2-NE 3.81Å; E34-R91 IonicContact OE2-NH1 3.5Å; E34-R91 PolarHBondContact OE2-NH1 3.23Å; E34-R91 IonicContact OE2-NH2 3.34Å; E34-R91 PolarHBondContact OE2-NH2 3.16Å; E34-L92 HydrophobicContact CG-CD2 4.47Å
35	E	97	Very high	92.7	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.43	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.4	171.6	-172.7	-176.2	117.7	0	0	109.4	V28 R37	V28-E35 HydrophobicContact CG1-CG 3.29Å; E35-R37 IonicContact OE1-CZ 3.29Å; E35-R37 VanDerWaalsContact OE1-CZ 3.29Å; E35-R37 IonicContact OE1-NE 3.21Å; E35-R37 PolarHBondContact OE1-NE 2.86Å; E35-R37 IonicContact OE1-NH2 2.7Å; E35-R37 PolarHBondContact OE1-NH2 3.25Å
36	L	97.9	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.3	178.2	-53.8	-171.1	0	0	0	111.2	V28 Y29 L31 E34 I38 V84 I87 L88 R91 N115	V28-L36 CarbonylContact C-O 3.54Å; V28-L36 WeakPolarHBondContact CA-O 3.09Å; Y29-L36 PolarHBondContact N-O 3.29Å; Y29-L36 PolarHBondContact O-N 2.91Å; L31-L36 HydrophobicContact CD1-CD1 4.22Å; E34-L36 HydrophobicContact CB-CD2 4.3Å; L36-I38 HydrophobicContact CB-CD1 4.4Å; L36-I38 HydrophobicContact CB-CG1 4.43Å; L36-V84 HydrophobicContact CD1-CG2 4.11Å; L36-I87 HydrophobicContact CD1-CG2 4.24Å; L36-I87 HydrophobicContact CD2-CG2 3.94Å; L36-L88 HydrophobicContact CD1-CB 3.9Å; L36-L88 HydrophobicContact CD1-CD1 4.29Å; L36-R91 HydrophobicContact CD2-CG 3.97Å; L36-N115 WeakPolarHBondContact CA-OD1 3.25Å
37	R	98	Very high	91.9	Very high	108 Å²	108	54.7 Å²	54.7	41%	0.408	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	106.3	176.5	-62.7	179.7	178.7	-102.7	-6.1	109	V28 E35 N115	V28-R37 HydrophobicContact CG2-CG 4.2Å; E35-R37 IonicContact OE1-CZ 3.29Å; E35-R37 VanDerWaalsContact OE1-CZ 3.29Å; E35-R37 IonicContact OE1-NE 3.21Å; E35-R37 PolarHBondContact OE1-NE 2.86Å; E35-R37 IonicContact OE1-NH2 2.7Å; E35-R37 PolarHBondContact OE1-NH2 3.25Å; R37-N115 PolarHBondContact N-OD1 2.98Å; R37-N115 PolarHBondContact O-ND2 2.8Å
38	I	98.3	Very high	91.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.9	-175.8	-56.3	-59.3	0	0	0	109.7	E26 T27 Y29 L36 Q40 V52 T82 V84 I87 N111	E26-I38 WeakPolarHBondContact CA-O 3.14Å; T27-I38 PolarHBondContact N-O 3.09Å; T27-I38 PolarHBondContact O-N 3.24Å; Y29-I38 HydrophobicContact CD2-CB 4.11Å; Y29-I38 HydrophobicContact CD2-CG1 3.82Å; Y29-I38 HydrophobicContact CE2-CB 3.93Å; Y29-I38 HydrophobicContact CE2-CG1 4.08Å; L36-I38 HydrophobicContact CB-CD1 4.4Å; L36-I38 HydrophobicContact CB-CG1 4.43Å; I38-Q40 HydrophobicContact CG2-CG 4.29Å; I38-V52 HydrophobicContact CB-CG2 4.32Å; I38-V52 HydrophobicContact CG2-CG2 3.63Å; I38-T82 HydrophobicContact CG2-CG2 3.97Å; I38-V84 HydrophobicContact CD1-CB 4.24Å; I38-V84 HydrophobicContact CD1-CG2 4.26Å; I38-V84 HydrophobicContact CG1-CB 4.28Å; I38-V84 HydrophobicContact CG1-CG2 4.03Å; I38-I87 HydrophobicContact CD1-CD1 4.1Å; I38-N111 HydrophobicContact CD1-CB 4.42Å
39	K	96.4	Very high	91.3	Very high	83 Å²	83	53.7 Å²	53.7	36%	0.361	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.6	170.3	-169.8	175.5	-177	175.9	0	109.5	S24 N111	S24-K39 WeakPolarHBondContact OG-CE 3.35Å; K39-N111 WeakPolarHBondContact CB-OD1 3.43Å; K39-N111 PolarHBondContact N-OD1 3.26Å; K39-N111 PolarHBondContact O-ND2 2.92Å; K39-N111 PolarHBondContact O-OD1 3.11Å
40	Q	95.2	Very high	91.1	Very high	10 Å²	10	52 Å²	52	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.5	179.5	-60.3	172.3	96	0	0	107.8	S24 Q25 T27 I38 F42 A50 P51 V52 T82	S24-Q40 CarbonylContact C-O 3.56Å; S24-Q40 VanDerWaalsContact CA-O 3.24Å; S24-Q40 WeakPolarHBondContact CA-O 3.41Å; Q25-Q40 PolarHBondContact N-O 3.42Å; Q25-Q40 PolarHBondContact O-N 2.85Å; T27-Q40 PolarHBondContact OG1-NE2 2.97Å; I38-Q40 HydrophobicContact CG2-CG 4.29Å; Q40-F42 HydrophobicContact CB-CD2 4.45Å; Q40-F42 HydrophobicContact CB-CE2 3.71Å; Q40-F42 HydrophobicContact CB-CZ 3.94Å; Q40-A50 WeakPolarHBondContact CB-O 3.31Å; Q40-P51 VanDerWaalsContact OE1-CA 3.28Å; Q40-V52 HydrophobicContact CG-CG2 4.38Å; Q40-T82 HydrophobicContact CG-CG2 4.28Å
41	L	91.8	Very high	91.1	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	100.1	-175.9	-77.7	156.7	0	0	0	109.9	L46 A50 Q107	L41-L46 HydrophobicContact CB-CD2 4.06Å; L41-A50 WeakPolarHBondContact O-CB 3.34Å; L41-Q107 HydrophobicContact CD1-CB 4.09Å; L41-Q107 HydrophobicContact CD1-CG 4.23Å
42	F	89.1	Confident	91.1	Very high	44 Å²	44	47 Å²	47	19%	0.193	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.9	178.2	-61.8	-77.2	0	0	0	110.1	T22 Y23 Q25 Q40 A50 P51	T22-F42 CarbonylContact C-O 3.58Å; T22-F42 VanDerWaalsContact CA-O 3.3Å; T22-F42 WeakPolarHBondContact CA-O 3.4Å; Y23-F42 HydrophobicContact CD1-CB 3.9Å; Y23-F42 HydrophobicContact CD2-CB 4.34Å; Y23-F42 HydrophobicContact CD2-CD2 4.05Å; Y23-F42 HydrophobicContact CE1-CB 3.44Å; Y23-F42 VanDerWaalsContact CE1-CB 3.44Å; Y23-F42 HydrophobicContact CE1-CD2 4.42Å; Y23-F42 HydrophobicContact CE1-CG 4.16Å; Y23-F42 HydrophobicContact CE2-CB 3.93Å; Y23-F42 AromaticContact CE2-CD2 3.35Å; Y23-F42 HydrophobicContact CE2-CD2 3.35Å; Y23-F42 HydrophobicContact CE2-CE2 4.14Å; Y23-F42 AromaticContact CE2-CG 3.91Å; Y23-F42 HydrophobicContact CE2-CG 3.91Å; Y23-F42 HydrophobicContact CG-CB 4.33Å; Y23-F42 VanDerWaalsContact CZ-CB 3.45Å; Y23-F42 AromaticContact CZ-CD2 3.57Å; Y23-F42 AromaticContact CZ-CG 3.63Å; Y23-F42 PolarHBondContact N-O 3.3Å; Y23-F42 PolarHBondContact O-N 2.84Å; Y23-F42 VanDerWaalsContact O-O 3.13Å; Q25-F42 HydrophobicContact CB-CD2 4.47Å; Q25-F42 HydrophobicContact CB-CE2 3.96Å; Q40-F42 HydrophobicContact CB-CD2 4.45Å; Q40-F42 HydrophobicContact CB-CE2 3.71Å; Q40-F42 HydrophobicContact CB-CZ 3.94Å; F42-A50 HydrophobicContact CD1-CB 4.04Å; F42-A50 HydrophobicContact CE1-CB 4.26Å; F42-P51 HydrophobicContact CE1-CB 4.07Å; F42-P51 HydrophobicContact CZ-CB 4.3Å
43	G	80.3	Confident	91.3	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	29%	0.289	S	S	.	.	S	Bend	trans	179.3	173.3	179.4	0	0	0	0	0	110.2	N45	G43-N45 PolarHBondContact O-N 2.87Å; G43-N45 VanDerWaalsContact O-N 3.07Å
44	A	69.7	Low	91.5	Very high	72 Å²	72	50.7 Å²	50.7	60%	0.595	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.2	-173.5	0	0	0	0	0	114.2	T20	T20-A44 HydrophobicContact CG2-CB 3.84Å
45	N	77.9	Confident	91.6	Very high	138 Å²	138	48.7 Å²	48.7	74%	0.738	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-32.1	-168.7	-63.7	-20.3	0	0	0	114.8	G43	G43-N45 PolarHBondContact O-N 2.87Å; G43-N45 VanDerWaalsContact O-N 3.07Å
46	L	82.8	Confident	91.7	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-28.2	-175.7	-111.9	69.7	0	0	0	113.4	L41 V48 A49 A50 L103 Q107	L41-L46 HydrophobicContact CB-CD2 4.06Å; L46-V48 PolarHBondContact O-N 3.16Å; L46-A49 WeakPolarHBondContact O-CB 3.49Å; L46-A49 PolarHBondContact O-N 2.95Å; L46-A50 HydrophobicContact CB-CB 4.05Å; L46-A50 HydrophobicContact CD2-CB 4.32Å; L46-L103 HydrophobicContact CD1-CD1 4.26Å; L46-L103 WeakPolarHBondContact CD1-O 3.41Å; L46-L103 HydrophobicContact CG-CD1 4.18Å; L46-Q107 HydrophobicContact CD2-CB 3.88Å; L46-Q107 HydrophobicContact CD2-CG 4.3Å; L46-Q107 VanDerWaalsContact CD2-OE1 3.25Å
47	G	89.6	Confident	91.7	Very high	48 Å²	48	45 Å²	45	50%	0.495	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	48.3	-123.9	179.3	0	0	0	0	0	112.8	A49 A50	G47-A49 PolarHBondContact O-N 3.43Å; G47-A50 WeakPolarHBondContact O-CB 3.49Å; G47-A50 PolarHBondContact O-N 3.05Å
48	V	91.2	Very high	91.6	Very high	72 Å²	72	40.4 Å²	40.4	44%	0.436	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-69.3	-11.5	-177	-61.4	0	0	0	0	114.6	L46 W53 Y154	L46-V48 PolarHBondContact O-N 3.16Å; V48-W53 HydrophobicContact CB-CZ2 3.98Å; V48-W53 HydrophobicContact CG1-CZ2 4.19Å; V48-W53 PolarHBondContact O-NE1 3.03Å; V48-Y154 HydrophobicContact CG2-CE2 4.07Å; V48-Y154 WeakPolarHBondContact CG2-OH 3.3Å
49	A	91.8	Very high	91.6	Very high	12 Å²	12	40.4 Å²	40.4	10%	0.099	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-82.9	-12.8	175.5	0	0	0	0	0	113.2	L46 G47 G81 L103 A104 Q107	L46-A49 WeakPolarHBondContact O-CB 3.49Å; L46-A49 PolarHBondContact O-N 2.95Å; G47-A49 PolarHBondContact O-N 3.43Å; A49-G81 CarbonylContact O-C 3.59Å; A49-L103 HydrophobicContact CB-CD1 4.28Å; A49-A104 HydrophobicContact CB-CB 3.88Å; A49-Q107 PolarHBondContact O-NE2 3.07Å
50	A	92.8	Very high	91.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	22%	0.217	C	C	.	.	S	Bend	trans	-69.2	-50.9	-178.8	0	0	0	0	0	114.7	Q40 L41 F42 L46 G47 T82	Q40-A50 WeakPolarHBondContact CB-O 3.31Å; L41-A50 WeakPolarHBondContact O-CB 3.34Å; F42-A50 HydrophobicContact CD1-CB 4.04Å; F42-A50 HydrophobicContact CE1-CB 4.26Å; L46-A50 HydrophobicContact CB-CB 4.05Å; L46-A50 HydrophobicContact CD2-CB 4.32Å; G47-A50 WeakPolarHBondContact O-CB 3.49Å; G47-A50 PolarHBondContact O-N 3.05Å; A50-T82 WeakPolarHBondContact O-CG2 3.5Å
51	P	96.5	Very high	91.8	Very high	27 Å²	27	40.7 Å²	40.7	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	-82	157.3	-173	32.6	-36	0	0	0	113.1	Q40 F42 W53	Q40-P51 VanDerWaalsContact OE1-CA 3.28Å; F42-P51 HydrophobicContact CE1-CB 4.07Å; F42-P51 HydrophobicContact CZ-CB 4.3Å; P51-W53 HydrophobicContact CG-CD2 4.37Å; P51-W53 HydrophobicContact CG-CH2 4.5Å; P51-W53 HydrophobicContact CG-CZ2 3.8Å; P51-W53 PolarHBondContact O-N 2.95Å
52	V	97.3	Very high	92	Very high	14 Å²	14	39 Å²	39	9%	0.085	22%	0.222	C	C	.	.			trans	-75.8	115.4	158.4	177.8	0	0	0	0	108.4	Y29 I38 Q40 L57 T82 V84	Y29-V52 HydrophobicContact CE1-CG1 4.34Å; Y29-V52 HydrophobicContact CE2-CB 4.41Å; Y29-V52 HydrophobicContact CE2-CG2 3.82Å; Y29-V52 WeakPolarHBondContact OH-CB 3.29Å; I38-V52 HydrophobicContact CB-CG2 4.32Å; I38-V52 HydrophobicContact CG2-CG2 3.63Å; Q40-V52 HydrophobicContact CG-CG2 4.38Å; V52-L57 HydrophobicContact CG1-CD1 4.43Å; V52-L57 HydrophobicContact CG1-CD2 3.84Å; V52-L57 HydrophobicContact CG1-CG 3.98Å; V52-T82 HydrophobicContact CG2-CG2 3.88Å; V52-V84 HydrophobicContact CG1-CG1 4.02Å
53	W	97.2	Very high	92.4	Very high	99 Å²	99	37 Å²	37	38%	0.375	21%	0.214	S	C	.	.			trans	-80	143.1	175.2	-65.2	98.1	0	0	0	111.6	V48 P51 A55 A56 D151	V48-W53 HydrophobicContact CB-CZ2 3.98Å; V48-W53 HydrophobicContact CG1-CZ2 4.19Å; V48-W53 PolarHBondContact O-NE1 3.03Å; P51-W53 HydrophobicContact CG-CD2 4.37Å; P51-W53 HydrophobicContact CG-CH2 4.5Å; P51-W53 HydrophobicContact CG-CZ2 3.8Å; P51-W53 PolarHBondContact O-N 2.95Å; W53-A55 PolarHBondContact O-N 2.87Å; W53-A55 VanDerWaalsContact O-N 3.11Å; W53-A56 VanDerWaalsContact O-CB 3.28Å; W53-A56 WeakPolarHBondContact O-CB 3.45Å; W53-A56 PolarHBondContact O-N 3.23Å; W53-D151 HydrophobicContact CB-CB 3.85Å; W53-D151 HydrophobicContact CG-CB 4.1Å
54	E	96	Very high	93.1	Very high	94 Å²	94	40 Å²	40	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-55.7	-31.6	179.2	-74.9	-59.7	133.4	0	0	113.2	A56 L57 H58	E54-A56 PolarHBondContact O-N 3.12Å; E54-L57 PolarHBondContact O-N 3.31Å; E54-L57 VanDerWaalsContact O-N 3.14Å; E54-H58 PolarHBondContact O-N 2.96Å
55	A	97.4	Very high	94.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-31.6	177.4	0	0	0	0	0	112.3	W53 H58 L59 D151 S179 N213	W53-A55 PolarHBondContact O-N 2.87Å; W53-A55 VanDerWaalsContact O-N 3.11Å; A55-H58 PolarHBondContact O-N 3.34Å; A55-L59 PolarHBondContact O-N 3.5Å; A55-D151 HydrophobicContact CB-CB 3.75Å; A55-S179 WeakPolarHBondContact O-CB 3.49Å; A55-S179 PolarHBondContact O-OG 2.89Å; A55-N213 VanDerWaalsContact CB-OD1 3.27Å; A55-N213 WeakPolarHBondContact CB-OD1 3.39Å
56	A	98.3	Very high	95.3	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-45.6	174.7	0	0	0	0	0	111.1	W53 E54 H58 L59 C60 V84 V85 A150	W53-A56 VanDerWaalsContact O-CB 3.28Å; W53-A56 WeakPolarHBondContact O-CB 3.45Å; W53-A56 PolarHBondContact O-N 3.23Å; E54-A56 PolarHBondContact O-N 3.12Å; A56-H58 VanDerWaalsContact C-N 3.3Å; A56-H58 PolarHBondContact O-N 3.34Å; A56-L59 PolarHBondContact O-N 3.38Å; A56-C60 PolarHBondContact O-N 2.87Å; A56-C60 PolarHBondContact O-SG 3.26Å; A56-V84 HydrophobicContact CB-CG1 3.73Å; A56-V85 HydrophobicContact CB-CG2 3.69Å; A56-A150 HydrophobicContact CB-CB 3.83Å
57	L	97.7	Very high	95.8	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-37.7	176.2	-56.6	-178.5	0	0	0	111.7	Y29 L31 V52 E54 L59 C60 R61	Y29-L57 HydrophobicContact CD1-CD1 4.19Å; Y29-L57 HydrophobicContact CD1-CD2 3.63Å; Y29-L57 HydrophobicContact CE1-CD1 3.83Å; Y29-L57 HydrophobicContact CE1-CD2 3.84Å; Y29-L57 HydrophobicContact CE1-CG 4.45Å; Y29-L57 HydrophobicContact CG-CD2 4.35Å; L31-L57 HydrophobicContact CD1-CD2 4.27Å; L31-L57 HydrophobicContact CD2-CD2 4.44Å; V52-L57 HydrophobicContact CG1-CD1 4.43Å; V52-L57 HydrophobicContact CG1-CD2 3.84Å; V52-L57 HydrophobicContact CG1-CG 3.98Å; E54-L57 PolarHBondContact O-N 3.31Å; E54-L57 VanDerWaalsContact O-N 3.14Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L57-C60 PolarHBondContact O-N 3.09Å; L57-R61 VanDerWaalsContact O-CG 3.3Å; L57-R61 WeakPolarHBondContact O-CG 3.43Å; L57-R61 PolarHBondContact O-N 3.04Å
58	H	96.8	Very high	96	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-40.1	174	-86.2	-147.1	0	0	0	112.7	E54 A55 A56 R61 Y62 D208 Q211 N213	E54-H58 PolarHBondContact O-N 2.96Å; A55-H58 PolarHBondContact O-N 3.34Å; A56-H58 VanDerWaalsContact C-N 3.3Å; A56-H58 PolarHBondContact O-N 3.34Å; H58-R61 PolarHBondContact CD2-NH1 3.09Å; H58-R61 VanDerWaalsContact CD2-NH1 3.31Å; H58-R61 PolarHBondContact NE2-NH1 3.37Å; H58-R61 PolarHBondContact O-N 3.29Å; H58-Y62 WeakPolarHBondContact O-CB 3.29Å; H58-Y62 PolarHBondContact O-N 3.3Å; H58-D208 IonicContact CE1-OD2 3.2Å; H58-D208 PolarHBondContact CE1-OD2 3.24Å; H58-Q211 PolarHBondContact CE1-OE1 3.4Å; H58-Q211 PolarHBondContact NE2-NE2 2.81Å; H58-Q211 PolarHBondContact NE2-OE1 2.77Å; H58-N213 PolarHBondContact ND1-ND2 3.21Å
59	L	98.4	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-43.4	176.8	-172.1	54.8	0	0	0	111.4	A55 A56 L57 Y62 F63 V85 A150 I215	A55-L59 PolarHBondContact O-N 3.5Å; A56-L59 PolarHBondContact O-N 3.38Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L59-Y62 PolarHBondContact O-N 2.97Å; L59-F63 HydrophobicContact CD1-CD1 4.42Å; L59-F63 HydrophobicContact CD1-CE1 3.73Å; L59-F63 HydrophobicContact CD1-CE2 4.25Å; L59-F63 HydrophobicContact CD1-CZ 3.62Å; L59-F63 HydrophobicContact CD2-CE2 4.47Å; L59-F63 HydrophobicContact CD2-CZ 4.29Å; L59-F63 HydrophobicContact CG-CE1 4.34Å; L59-F63 HydrophobicContact CG-CE2 3.95Å; L59-F63 HydrophobicContact CG-CZ 3.81Å; L59-F63 WeakPolarHBondContact O-CG 3.34Å; L59-F63 PolarHBondContact O-N 3.14Å; L59-V85 HydrophobicContact CD2-CG1 4.06Å; L59-V85 HydrophobicContact CG-CG1 4.44Å; L59-A150 HydrophobicContact CD2-CB 4.43Å; L59-I215 HydrophobicContact CD1-CD1 4.4Å; L59-I215 HydrophobicContact CD1-CG2 4.05Å
60	C	97.9	Very high	96.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-47	175.9	-62.8	0	0	0	0	112.3	L31 A56 L57 Y62 F63 E64 L88	L31-C60 HydrophobicContact CD1-CB 4.04Å; L31-C60 HydrophobicContact CD2-CB 4.18Å; A56-C60 PolarHBondContact O-N 2.87Å; A56-C60 PolarHBondContact O-SG 3.26Å; L57-C60 PolarHBondContact O-N 3.09Å; C60-Y62 VanDerWaalsContact C-N 3.32Å; C60-Y62 PolarHBondContact O-N 3.46Å; C60-F63 PolarHBondContact O-N 2.93Å; C60-E64 PolarHBondContact O-N 3.14Å; C60-E64 VanDerWaalsContact O-N 3.16Å; C60-L88 HydrophobicContact CB-CD2 3.51Å; C60-L88 WeakPolarHBondContact SG-CD2 3.37Å
61	R	96.4	Very high	96.6	Very high	98 Å²	98	52.7 Å²	52.7	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-39.2	176.7	-69.2	170.1	-168.1	145.2	7.8	111.8	L57 H58 F63 E64 D65	L57-R61 VanDerWaalsContact O-CG 3.3Å; L57-R61 WeakPolarHBondContact O-CG 3.43Å; L57-R61 PolarHBondContact O-N 3.04Å; H58-R61 PolarHBondContact CD2-NH1 3.09Å; H58-R61 VanDerWaalsContact CD2-NH1 3.31Å; H58-R61 PolarHBondContact NE2-NH1 3.37Å; H58-R61 PolarHBondContact O-N 3.29Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 PolarHBondContact O-N 3.5Å; R61-E64 VanDerWaalsContact O-CB 3.3Å; R61-E64 WeakPolarHBondContact O-CB 3.26Å; R61-E64 PolarHBondContact O-N 3.43Å; R61-D65 WeakPolarHBondContact O-CB 3.48Å; R61-D65 PolarHBondContact O-N 3.49Å
62	Y	97.3	Very high	96.7	Very high	17 Å²	17	53.9 Å²	53.9	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-39	175.9	173.3	-93.5	0	0	0	112.5	H58 L59 C60 E64 D65 Q66 V68 Y177 V205 L206 I215	H58-Y62 WeakPolarHBondContact O-CB 3.29Å; H58-Y62 PolarHBondContact O-N 3.3Å; L59-Y62 PolarHBondContact O-N 2.97Å; C60-Y62 VanDerWaalsContact C-N 3.32Å; C60-Y62 PolarHBondContact O-N 3.46Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 2.99Å; Y62-D65 PolarHBondContact O-N 3.3Å; Y62-Q66 HydrophobicContact CD1-CG 4.47Å; Y62-Q66 HydrophobicContact CD2-CG 3.78Å; Y62-Q66 HydrophobicContact CE1-CG 4.1Å; Y62-Q66 HydrophobicContact CE2-CG 3.38Å; Y62-Q66 HydrophobicContact CG-CG 4.31Å; Y62-Q66 WeakPolarHBondContact O-CB 3.41Å; Y62-Q66 WeakPolarHBondContact O-CG 3.35Å; Y62-Q66 PolarHBondContact O-N 2.97Å; Y62-V68 HydrophobicContact CE1-CG2 4.5Å; Y62-Y177 HydrophobicContact CE1-CD1 4.01Å; Y62-Y177 AromaticContact CE1-CE1 3.62Å; Y62-Y177 HydrophobicContact CE1-CE1 3.62Å; Y62-V205 HydrophobicContact CE1-CG2 4.3Å; Y62-V205 HydrophobicContact CE2-CB 4.32Å; Y62-V205 HydrophobicContact CE2-CG2 3.99Å; Y62-V205 WeakPolarHBondContact OH-CB 3.2Å; Y62-V205 WeakPolarHBondContact OH-CG2 3.32Å; Y62-L206 HydrophobicContact CD2-CB 4.03Å; Y62-L206 HydrophobicContact CD2-CD2 4.1Å; Y62-L206 HydrophobicContact CE2-CB 4.16Å; Y62-I215 HydrophobicContact CD1-CD1 4.14Å; Y62-I215 HydrophobicContact CD1-CG2 4.3Å; Y62-I215 HydrophobicContact CD2-CD1 3.93Å; Y62-I215 HydrophobicContact CE1-CG2 4.43Å; Y62-I215 HydrophobicContact CG-CD1 3.51Å
63	F	97.6	Very high	96.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-35.9	174.1	-67.3	-19.9	0	0	0	112.8	M32 L59 C60 R61 S67 V68 L70 V85 L148 Y177	M32-F63 HydrophobicContact SD-CB 4.1Å; L59-F63 HydrophobicContact CD1-CD1 4.42Å; L59-F63 HydrophobicContact CD1-CE1 3.73Å; L59-F63 HydrophobicContact CD1-CE2 4.25Å; L59-F63 HydrophobicContact CD1-CZ 3.62Å; L59-F63 HydrophobicContact CD2-CE2 4.47Å; L59-F63 HydrophobicContact CD2-CZ 4.29Å; L59-F63 HydrophobicContact CG-CE1 4.34Å; L59-F63 HydrophobicContact CG-CE2 3.95Å; L59-F63 HydrophobicContact CG-CZ 3.81Å; L59-F63 WeakPolarHBondContact O-CG 3.34Å; L59-F63 PolarHBondContact O-N 3.14Å; C60-F63 PolarHBondContact O-N 2.93Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 PolarHBondContact O-N 3.5Å; F63-S67 WeakPolarHBondContact O-CA 3.46Å; F63-S67 PolarHBondContact O-N 3.26Å; F63-V68 HydrophobicContact CB-CB 4.2Å; F63-V68 HydrophobicContact CD1-CB 3.82Å; F63-V68 HydrophobicContact CD1-CG1 4.1Å; F63-V68 HydrophobicContact CD1-CG2 3.69Å; F63-V68 HydrophobicContact CE1-CG1 4.37Å; F63-V68 HydrophobicContact CE1-CG2 4.37Å; F63-V68 HydrophobicContact CG-CB 4.22Å; F63-V68 HydrophobicContact CG-CG2 4.48Å; F63-V68 PolarHBondContact O-N 3.31Å; F63-L70 HydrophobicContact CD2-CD1 4.16Å; F63-V85 HydrophobicContact CE2-CG1 4.42Å; F63-L148 HydrophobicContact CE2-CD1 4.18Å; F63-L148 HydrophobicContact CE2-CD2 4Å; F63-L148 HydrophobicContact CZ-CD2 3.63Å; F63-Y177 HydrophobicContact CE1-CD1 4.1Å; F63-Y177 AromaticContact CE1-CD2 3.95Å; F63-Y177 HydrophobicContact CE1-CD2 3.95Å; F63-Y177 HydrophobicContact CE1-CE1 4.45Å; F63-Y177 HydrophobicContact CE1-CE2 4.31Å; F63-Y177 AromaticContact CE1-CG 3.83Å; F63-Y177 HydrophobicContact CE1-CG 3.83Å; F63-Y177 HydrophobicContact CZ-CD2 4.18Å; F63-Y177 HydrophobicContact CZ-CG 4.13Å
64	E	95.4	Very high	96.8	Very high	89 Å²	89	56.6 Å²	56.6	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-57.4	170.9	-163.8	166.9	-158.2	0	0	111.4	M32 C60 R61 Y62 Q66 S67	M32-E64 WeakPolarHBondContact CA-OE1 3.31Å; M32-E64 HydrophobicContact CE-CB 4.38Å; M32-E64 HydrophobicContact CG-CB 3.63Å; M32-E64 HydrophobicContact CG-CG 3.86Å; M32-E64 HydrophobicContact SD-CB 4.16Å; C60-E64 PolarHBondContact O-N 3.14Å; C60-E64 VanDerWaalsContact O-N 3.16Å; R61-E64 VanDerWaalsContact O-CB 3.3Å; R61-E64 WeakPolarHBondContact O-CB 3.26Å; R61-E64 PolarHBondContact O-N 3.43Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 2.99Å; E64-Q66 VanDerWaalsContact C-N 3.28Å; E64-Q66 PolarHBondContact O-N 3.1Å; E64-S67 PolarHBondContact O-N 3.2Å
65	D	95.8	Very high	96.9	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-61.3	-36.5	-174.4	-71.7	-21.1	0	0	0	112.4	R61 Y62	R61-D65 WeakPolarHBondContact O-CB 3.48Å; R61-D65 PolarHBondContact O-N 3.49Å; Y62-D65 PolarHBondContact O-N 3.3Å
66	Q	96.5	Very high	97	Very high	116 Å²	116	52 Å²	52	54%	0.542	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.7	179.1	-60	-53.6	-74.4	0	0	113.4	Y62 E64 V68	Y62-Q66 HydrophobicContact CD1-CG 4.47Å; Y62-Q66 HydrophobicContact CD2-CG 3.78Å; Y62-Q66 HydrophobicContact CE1-CG 4.1Å; Y62-Q66 HydrophobicContact CE2-CG 3.38Å; Y62-Q66 HydrophobicContact CG-CG 4.31Å; Y62-Q66 WeakPolarHBondContact O-CB 3.41Å; Y62-Q66 WeakPolarHBondContact O-CG 3.35Å; Y62-Q66 PolarHBondContact O-N 2.97Å; E64-Q66 VanDerWaalsContact C-N 3.28Å; E64-Q66 PolarHBondContact O-N 3.1Å; Q66-V68 HydrophobicContact CB-CG2 4.01Å; Q66-V68 PolarHBondContact O-N 3.01Å
67	S	93.9	Very high	97	Very high	102 Å²	102	51.9 Å²	51.9	71%	0.713	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46	-177.3	-59	0	0	0	0	112.3	F63 E64 E69	F63-S67 WeakPolarHBondContact O-CA 3.46Å; F63-S67 PolarHBondContact O-N 3.26Å; E64-S67 PolarHBondContact O-N 3.2Å; S67-E69 PolarHBondContact O-N 2.88Å
68	V	93	Very high	97.1	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	25%	0.253	C	S	.	.			trans	-65.7	119	179.2	176.9	0	0	0	0	108.8	Y62 F63 Q66 L70	Y62-V68 HydrophobicContact CE1-CG2 4.5Å; F63-V68 HydrophobicContact CB-CB 4.2Å; F63-V68 HydrophobicContact CD1-CB 3.82Å; F63-V68 HydrophobicContact CD1-CG1 4.1Å; F63-V68 HydrophobicContact CD1-CG2 3.69Å; F63-V68 HydrophobicContact CE1-CG1 4.37Å; F63-V68 HydrophobicContact CE1-CG2 4.37Å; F63-V68 HydrophobicContact CG-CB 4.22Å; F63-V68 HydrophobicContact CG-CG2 4.48Å; F63-V68 PolarHBondContact O-N 3.31Å; Q66-V68 HydrophobicContact CB-CG2 4.01Å; Q66-V68 PolarHBondContact O-N 3.01Å; V68-L70 HydrophobicContact CG1-CD2 4.16Å; V68-L70 PolarHBondContact O-N 3.22Å
69	E	94.8	Very high	97.2	Very high	119 Å²	119	51.8 Å²	51.8	56%	0.556	26%	0.258	S	S	*	.			trans	-74.5	112.8	-180	-178.1	58.8	-91.2	0	0	110.8	S67 R71 R73	S67-E69 PolarHBondContact O-N 2.88Å; E69-R71 WeakPolarHBondContact OE1-CB 3.39Å; E69-R71 PolarHBondContact OE1-N 3.02Å; E69-R73 WeakPolarHBondContact O-CG 3.49Å
70	L	97	Very high	97.2	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.262	C	S	.	.			trans	-103.2	-19.3	178.6	-62.5	177.8	0	0	0	112.3	F63 V68 G72 R73 A89 L92 A94 L146	F63-L70 HydrophobicContact CD2-CD1 4.16Å; V68-L70 HydrophobicContact CG1-CD2 4.16Å; V68-L70 PolarHBondContact O-N 3.22Å; L70-G72 PolarHBondContact O-N 3.22Å; L70-R73 WeakPolarHBondContact O-CB 3.5Å; L70-R73 PolarHBondContact O-N 3.27Å; L70-R73 VanDerWaalsContact O-N 3.09Å; L70-A89 HydrophobicContact CD1-CB 4.06Å; L70-L92 HydrophobicContact CB-CB 4.4Å; L70-L92 HydrophobicContact CD1-CB 4.42Å; L70-L92 HydrophobicContact CD1-CD1 3.79Å; L70-A94 HydrophobicContact CB-CB 4.42Å; L70-A94 VanDerWaalsContact O-CA 3.31Å; L70-A94 WeakPolarHBondContact O-CA 3.3Å; L70-A94 WeakPolarHBondContact O-CB 3.38Å; L70-L146 HydrophobicContact CD2-CD1 3.57Å
71	R	97.7	Very high	97.2	Very high	157 Å²	157	52.6 Å²	52.6	59%	0.592	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	127.7	-175.6	-174.3	177.6	-61.1	-74.6	-7.9	110.7	E69 R73	E69-R71 WeakPolarHBondContact OE1-CB 3.39Å; E69-R71 PolarHBondContact OE1-N 3.02Å; R71-R73 PolarHBondContact O-N 3.24Å
72	G	97.5	Very high	97.3	Very high	52 Å²	52	48.1 Å²	48.1	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	5.2	179.9	0	0	0	0	0	114.6	L70 G93	L70-G72 PolarHBondContact O-N 3.22Å; G72-G93 PolarHBondContact N-O 3.43Å
73	R	98.3	Very high	97.3	Very high	104 Å²	104	47.3 Å²	47.3	39%	0.392	25%	0.246	S	C	.	.			trans	-80.6	142.4	173.8	-63.7	-62.7	-168.6	163.1	-0.8	110.6	E69 L70 R71 V75 A94 E95 D145 L146	E69-R73 WeakPolarHBondContact O-CG 3.49Å; L70-R73 WeakPolarHBondContact O-CB 3.5Å; L70-R73 PolarHBondContact O-N 3.27Å; L70-R73 VanDerWaalsContact O-N 3.09Å; R71-R73 PolarHBondContact O-N 3.24Å; R73-V75 HydrophobicContact CB-CG2 4.06Å; R73-A94 WeakPolarHBondContact O-CA 3.49Å; R73-E95 PolarHBondContact O-N 2.95Å; R73-D145 WeakPolarHBondContact CA-OD2 3.45Å; R73-D145 HydrophobicContact CB-CB 4.09Å; R73-D145 HydrophobicContact CG-CB 4.44Å; R73-D145 IonicContact NH1-OD1 3.86Å; R73-D145 PolarHBondContact NH1-OD1 2.97Å; R73-L146 HydrophobicContact CB-CD1 4.5Å
74	R	98.6	Very high	97.4	Very high	65 Å²	65	47.2 Å²	47.2	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.8	167.8	-64.7	-171	68.8	-127	7.8	109.6	E95 D143 W144 D145 L146	R74-E95 WeakPolarHBondContact CA-O 3.47Å; R74-E95 HydrophobicContact CG-CB 4.24Å; R74-E95 IonicContact NE-OE2 2.87Å; R74-D143 IonicContact CZ-OD1 2.96Å; R74-D143 IonicContact CZ-OD2 2.77Å; R74-D143 PolarHBondContact NH1-O 2.91Å; R74-D143 IonicContact NH1-OD1 3.97Å; R74-D143 PolarHBondContact NH1-OD1 2.9Å; R74-D143 IonicContact NH1-OD2 3.28Å; R74-D143 PolarHBondContact NH1-OD2 3.29Å; R74-D143 IonicContact NH2-OD1 2.96Å; R74-W144 HydrophobicContact CB-CE3 4.11Å; R74-D145 PolarHBondContact N-OD2 3.47Å; R74-D145 WeakPolarHBondContact O-CB 3.26Å; R74-D145 PolarHBondContact O-N 2.81Å; R74-L146 PolarHBondContact O-N 3.29Å; R74-L146 VanDerWaalsContact O-N 3.16Å
75	V	98.9	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.2	-170.2	-179	0	0	0	0	109.8	R73 A94 E95 V96 T97 L146 L148	R73-V75 HydrophobicContact CB-CG2 4.06Å; V75-A94 HydrophobicContact CB-CB 4.41Å; V75-A94 HydrophobicContact CG2-CB 3.69Å; V75-E95 PolarHBondContact N-O 3.45Å; V75-V96 HydrophobicContact CB-CG2 4.26Å; V75-V96 CarbonylContact O-C 3.58Å; V75-V96 WeakPolarHBondContact O-CA 3.3Å; V75-T97 PolarHBondContact O-N 3.09Å; V75-L146 WeakPolarHBondContact CA-O 3.47Å; V75-L146 HydrophobicContact CG1-CB 4.49Å; V75-L146 HydrophobicContact CG2-CB 4.18Å; V75-L146 HydrophobicContact CG2-CD1 4.28Å; V75-L148 HydrophobicContact CG1-CD1 3.49Å; V75-L148 VanDerWaalsContact CG1-CD1 3.49Å; V75-L148 HydrophobicContact CG1-CG 3.63Å
76	I	98.9	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.5	166.5	-173.9	169.9	0	0	0	110.3	T97 T99 L131 F140 W144 L146 V147 L148 L169	I76-T97 CarbonylContact C-O 3.54Å; I76-T97 VanDerWaalsContact CA-O 3.27Å; I76-T97 WeakPolarHBondContact CA-O 3.49Å; I76-T97 HydrophobicContact CG1-CG2 4.4Å; I76-T99 HydrophobicContact CD1-CG2 4.05Å; I76-T99 HydrophobicContact CG1-CG2 4.08Å; I76-L131 HydrophobicContact CD1-CD1 4.15Å; I76-F140 HydrophobicContact CD1-CD1 3.85Å; I76-F140 HydrophobicContact CD1-CE1 4.35Å; I76-F140 HydrophobicContact CD1-CG 4.42Å; I76-W144 HydrophobicContact CB-CD2 3.78Å; I76-W144 HydrophobicContact CB-CE3 3.84Å; I76-W144 HydrophobicContact CB-CG 4.41Å; I76-W144 HydrophobicContact CB-CH2 4.12Å; I76-W144 HydrophobicContact CB-CZ2 4.05Å; I76-W144 HydrophobicContact CB-CZ3 4.01Å; I76-W144 HydrophobicContact CD1-CH2 4.48Å; I76-W144 HydrophobicContact CD1-CZ2 3.87Å; I76-W144 HydrophobicContact CG1-CZ2 4.42Å; I76-W144 HydrophobicContact CG2-CB 4.36Å; I76-W144 HydrophobicContact CG2-CD2 3.62Å; I76-W144 HydrophobicContact CG2-CE3 4.09Å; I76-W144 HydrophobicContact CG2-CG 3.71Å; I76-L146 PolarHBondContact N-O 3Å; I76-V147 HydrophobicContact CG2-CB 4.28Å; I76-V147 HydrophobicContact CG2-CG1 4.15Å; I76-V147 HydrophobicContact CG2-CG2 3.79Å; I76-V147 CarbonylContact O-C 3.58Å; I76-V147 VanDerWaalsContact O-CA 3.32Å; I76-V147 WeakPolarHBondContact O-CA 3.4Å; I76-L148 PolarHBondContact O-N 2.86Å; I76-L169 HydrophobicContact CD1-CD1 4.17Å; I76-L169 HydrophobicContact CD1-CD2 4.03Å; I76-L169 HydrophobicContact CG2-CD1 4.18Å
77	E	98.9	Very high	97.8	Very high	4 Å²	4	32 Å²	32	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.9	173.7	-173.8	-178.4	-166.2	0	0	109.8	A80 V85 G86 T97 V98 T99 L148	E77-A80 HydrophobicContact CG-CB 3.92Å; E77-V85 WeakPolarHBondContact OE1-CB 3.44Å; E77-G86 WeakPolarHBondContact OE2-CA 3.28Å; E77-G86 PolarHBondContact OE2-N 2.7Å; E77-T97 PolarHBondContact N-O 3.15Å; E77-V98 HydrophobicContact CB-CG1 4.21Å; E77-V98 WeakPolarHBondContact OE2-CG1 3.43Å; E77-T99 WeakPolarHBondContact O-CB 3.33Å; E77-T99 PolarHBondContact O-N 2.87Å; E77-T99 PolarHBondContact O-OG1 3.02Å; E77-L148 WeakPolarHBondContact CA-O 3.39Å; E77-L148 HydrophobicContact CB-CB 4.34Å; E77-L148 HydrophobicContact CG-CB 4.28Å
78	L	98.9	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133	176.3	-63.5	-178.7	0	0	0	110.4	L131 V147 L148 I152 L162 T165 L166 L169	L78-L131 HydrophobicContact CD2-CD1 3.78Å; L78-L131 HydrophobicContact CD2-CD2 4.1Å; L78-V147 HydrophobicContact CD1-CG1 3.96Å; L78-V147 HydrophobicContact CG-CG1 4.08Å; L78-L148 PolarHBondContact N-O 3.44Å; L78-I152 HydrophobicContact CB-CD1 4.2Å; L78-I152 WeakPolarHBondContact O-CG2 3.25Å; L78-L162 HydrophobicContact CD1-CD1 3.93Å; L78-T165 HydrophobicContact CD1-CG2 3.92Å; L78-T165 HydrophobicContact CD2-CG2 4.19Å; L78-L166 HydrophobicContact CD1-CD2 3.72Å; L78-L166 HydrophobicContact CD1-CG 4.39Å; L78-L169 HydrophobicContact CD1-CD1 4.08Å; L78-L169 HydrophobicContact CD2-CD1 3.9Å; L78-L169 HydrophobicContact CG-CD1 4.33Å
79	G	98.6	Very high	98.3	Very high	16 Å²	16	26 Å²	26	17%	0.165	13%	0.13	C	C	.	.	S	Bend	trans	61.5	48.6	178.1	0	0	0	0	0	112.2	G81 T99 D100	G79-G81 VanDerWaalsContact C-N 3.28Å; G79-G81 PolarHBondContact O-N 2.86Å; G79-T99 PolarHBondContact N-O 3.28Å; G79-D100 VanDerWaalsContact CA-OD2 3.29Å; G79-D100 WeakPolarHBondContact CA-OD2 3.37Å
80	A	98.6	Very high	98.4	Very high	9 Å²	9	20.5 Å²	20.5	7%	0.074	11%	0.105	C	C	.	.			trans	-66.1	-25.1	-170.3	0	0	0	0	0	114.2	E77 T82 G83 V98 T99 D100 L108	E77-A80 HydrophobicContact CG-CB 3.92Å; A80-T82 PolarHBondContact O-N 2.83Å; A80-G83 PolarHBondContact O-N 3.18Å; A80-V98 HydrophobicContact CB-CB 4.23Å; A80-T99 WeakPolarHBondContact CB-O 3.3Å; A80-T99 PolarHBondContact N-O 2.87Å; A80-D100 PolarHBondContact N-OD2 2.91Å; A80-L108 HydrophobicContact CB-CD1 4.13Å; A80-L108 HydrophobicContact CB-CD2 4.04Å
81	G	98	Very high	98.5	Very high	8 Å²	8	22 Å²	22	8%	0.082	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-93.4	-176.4	0	0	0	0	0	112.7	A49 G79 D100 Q107	A49-G81 CarbonylContact O-C 3.59Å; G79-G81 VanDerWaalsContact C-N 3.28Å; G79-G81 PolarHBondContact O-N 2.86Å; G81-D100 WeakPolarHBondContact CA-OD2 3.47Å; G81-D100 PolarHBondContact N-OD2 3.06Å; G81-Q107 PolarHBondContact O-NE2 2.83Å
82	T	98.3	Very high	98.5	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.025	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-23.2	175.4	60.8	0	0	0	0	113.5	I38 Q40 A50 V52 A80 N111	I38-T82 HydrophobicContact CG2-CG2 3.97Å; Q40-T82 HydrophobicContact CG-CG2 4.28Å; A50-T82 WeakPolarHBondContact O-CG2 3.5Å; V52-T82 HydrophobicContact CG2-CG2 3.88Å; A80-T82 PolarHBondContact O-N 2.83Å; T82-N111 WeakPolarHBondContact O-CB 3.47Å; T82-N111 PolarHBondContact O-ND2 3.15Å
83	G	98.4	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.			trans	85.8	9.3	-177.1	0	0	0	0	0	115.4	A80 V85 G86 I87	A80-G83 PolarHBondContact O-N 3.18Å; G83-V85 VanDerWaalsContact C-N 3.26Å; G83-V85 PolarHBondContact O-N 2.78Å; G83-G86 PolarHBondContact O-N 2.91Å; G83-I87 VanDerWaalsContact O-CB 3.27Å; G83-I87 WeakPolarHBondContact O-CB 3.46Å; G83-I87 WeakPolarHBondContact O-CD1 3.39Å; G83-I87 WeakPolarHBondContact O-CG1 3.45Å; G83-I87 PolarHBondContact O-N 2.94Å
84	V	98.6	Very high	98.5	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-56	-37.8	-171.8	69.1	0	0	0	0	113.3	L31 L36 I38 V52 A56 L88	L31-V84 HydrophobicContact CD1-CG2 4.06Å; L36-V84 HydrophobicContact CD1-CG2 4.11Å; I38-V84 HydrophobicContact CD1-CB 4.24Å; I38-V84 HydrophobicContact CD1-CG2 4.26Å; I38-V84 HydrophobicContact CG1-CB 4.28Å; I38-V84 HydrophobicContact CG1-CG2 4.03Å; V52-V84 HydrophobicContact CG1-CG1 4.02Å; A56-V84 HydrophobicContact CB-CG1 3.73Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 PolarHBondContact O-N 2.98Å; V84-L88 VanDerWaalsContact O-N 3.11Å
85	V	98.8	Very high	98.5	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.012	5%	0.053	C	C	.	.	H	α-helix	trans	-74.6	-48.6	-178.4	-169.4	0	0	0	0	110.7	A56 L59 F63 E77 G83 L88 A89 L148 A150	A56-V85 HydrophobicContact CB-CG2 3.69Å; L59-V85 HydrophobicContact CD2-CG1 4.06Å; L59-V85 HydrophobicContact CG-CG1 4.44Å; F63-V85 HydrophobicContact CE2-CG1 4.42Å; E77-V85 WeakPolarHBondContact OE1-CB 3.44Å; G83-V85 VanDerWaalsContact C-N 3.26Å; G83-V85 PolarHBondContact O-N 2.78Å; V85-L88 WeakPolarHBondContact O-CB 3.27Å; V85-L88 PolarHBondContact O-N 2.89Å; V85-A89 PolarHBondContact O-N 2.87Å; V85-L148 HydrophobicContact CG1-CD1 3.87Å; V85-A150 HydrophobicContact CG2-CB 4.06Å
86	G	98.8	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-36.4	178.6	0	0	0	0	0	113.5	E77 G83 A89 A90	E77-G86 WeakPolarHBondContact OE2-CA 3.28Å; E77-G86 PolarHBondContact OE2-N 2.7Å; G83-G86 PolarHBondContact O-N 2.91Å; G86-A89 PolarHBondContact O-N 3.46Å; G86-A90 WeakPolarHBondContact O-CB 3.32Å; G86-A90 PolarHBondContact O-N 2.6Å
87	I	98.8	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61	-47.8	171.9	-69.7	165.7	0	0	0	109.6	L36 I38 G83 A89 A90 R91 N111 V112 N115 W121	L36-I87 HydrophobicContact CD1-CG2 4.24Å; L36-I87 HydrophobicContact CD2-CG2 3.94Å; I38-I87 HydrophobicContact CD1-CD1 4.1Å; G83-I87 VanDerWaalsContact O-CB 3.27Å; G83-I87 WeakPolarHBondContact O-CB 3.46Å; G83-I87 WeakPolarHBondContact O-CD1 3.39Å; G83-I87 WeakPolarHBondContact O-CG1 3.45Å; G83-I87 PolarHBondContact O-N 2.94Å; I87-A89 PolarHBondContact O-N 3.03Å; I87-A90 PolarHBondContact O-N 3.1Å; I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 VanDerWaalsContact O-CG 3.31Å; I87-R91 WeakPolarHBondContact O-CG 3.32Å; I87-R91 PolarHBondContact O-N 3.29Å; I87-N111 HydrophobicContact CD1-CB 3.78Å; I87-V112 HydrophobicContact CD1-CG2 4.1Å; I87-V112 HydrophobicContact CG1-CG2 3.84Å; I87-N115 HydrophobicContact CG2-CB 3.58Å; I87-W121 HydrophobicContact CG2-CH2 4.42Å
88	L	98.6	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-57.5	-49.2	176.1	-178.1	62.2	0	0	0	111.4	L31 M32 E34 L36 C60 V84 V85 A90 R91 L92	L31-L88 HydrophobicContact CB-CD1 4.01Å; L31-L88 HydrophobicContact CB-CD2 3.9Å; L31-L88 HydrophobicContact CD1-CD2 4.27Å; M32-L88 HydrophobicContact CB-CD1 4.4Å; M32-L88 HydrophobicContact CG-CD2 4.41Å; M32-L88 HydrophobicContact SD-CD2 4.11Å; E34-L88 HydrophobicContact CB-CD1 4.07Å; E34-L88 HydrophobicContact CG-CD1 4.32Å; L36-L88 HydrophobicContact CD1-CB 3.9Å; L36-L88 HydrophobicContact CD1-CD1 4.29Å; C60-L88 HydrophobicContact CB-CD2 3.51Å; C60-L88 WeakPolarHBondContact SG-CD2 3.37Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 PolarHBondContact O-N 2.98Å; V84-L88 VanDerWaalsContact O-N 3.11Å; V85-L88 WeakPolarHBondContact O-CB 3.27Å; V85-L88 PolarHBondContact O-N 2.89Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.78Å; L88-R91 WeakPolarHBondContact O-CB 3.32Å; L88-R91 PolarHBondContact O-N 2.8Å; L88-L92 HydrophobicContact CD1-CD1 4.08Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 3.38Å
89	A	98.6	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-57.1	-41	179.3	0	0	0	0	0	111.9	L70 V85 G86 I87 L92 G93 A94 V96 L148	L70-A89 HydrophobicContact CD1-CB 4.06Å; V85-A89 PolarHBondContact O-N 2.87Å; G86-A89 PolarHBondContact O-N 3.46Å; I87-A89 PolarHBondContact O-N 3.03Å; A89-L92 CarbonylContact O-C 3.57Å; A89-L92 PolarHBondContact O-N 3.31Å; A89-G93 PolarHBondContact O-N 2.88Å; A89-A94 HydrophobicContact CB-CB 4.2Å; A89-A94 VanDerWaalsContact O-CB 3.28Å; A89-A94 WeakPolarHBondContact O-CB 3.41Å; A89-A94 PolarHBondContact O-N 3.49Å; A89-V96 HydrophobicContact CB-CG2 4.01Å; A89-L148 HydrophobicContact CB-CD1 4.45Å
90	A	98.6	Very high	98.5	Very high	2 Å²	2	10.6 Å²	10.6	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-39.1	175.9	0	0	0	0	0	112.8	G86 I87 L88 L92 G93 V96 W121 P126	G86-A90 WeakPolarHBondContact O-CB 3.32Å; G86-A90 PolarHBondContact O-N 2.6Å; I87-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.78Å; A90-L92 PolarHBondContact O-N 2.78Å; A90-G93 PolarHBondContact O-N 3.24Å; A90-V96 HydrophobicContact CB-CB 4.22Å; A90-V96 HydrophobicContact CB-CG2 3.71Å; A90-W121 HydrophobicContact CB-CE3 3.79Å; A90-W121 HydrophobicContact CB-CZ3 3.61Å; A90-P126 HydrophobicContact CB-CG 3.47Å; A90-P126 VanDerWaalsContact CB-CG 3.47Å
91	R	97.6	Very high	98.5	Very high	36 Å²	36	13.8 Å²	13.8	14%	0.136	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-28.6	173.1	-65.1	-66.4	-94.5	93.6	5.5	112	E34 L36 I87 L88 G93 N115 W121 P122	E34-R91 VanDerWaalsContact CD-NH1 3.32Å; E34-R91 HydrophobicContact CG-CB 4Å; E34-R91 IonicContact OE1-NH1 3.43Å; E34-R91 PolarHBondContact OE1-NH1 2.99Å; E34-R91 IonicContact OE2-CZ 2.9Å; E34-R91 IonicContact OE2-NE 3.81Å; E34-R91 IonicContact OE2-NH1 3.5Å; E34-R91 PolarHBondContact OE2-NH1 3.23Å; E34-R91 IonicContact OE2-NH2 3.34Å; E34-R91 PolarHBondContact OE2-NH2 3.16Å; L36-R91 HydrophobicContact CD2-CG 3.97Å; I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 VanDerWaalsContact O-CG 3.31Å; I87-R91 WeakPolarHBondContact O-CG 3.32Å; I87-R91 PolarHBondContact O-N 3.29Å; L88-R91 WeakPolarHBondContact O-CB 3.32Å; L88-R91 PolarHBondContact O-N 2.8Å; R91-G93 VanDerWaalsContact C-N 3.3Å; R91-N115 WeakPolarHBondContact CD-O 3.44Å; R91-N115 PolarHBondContact NE-O 2.87Å; R91-W121 HydrophobicContact CG-CZ3 3.99Å; R91-P122 WeakPolarHBondContact O-CG 3.42Å
92	L	97.3	Very high	98.4	Very high	29 Å²	29	17.6 Å²	17.6	15%	0.152	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.5	175.5	-62.5	170.4	0	0	0	113.4	M32 E34 L70 L88 A89 A90	M32-L92 HydrophobicContact CB-CD1 4.33Å; M32-L92 HydrophobicContact CB-CD2 4.31Å; M32-L92 HydrophobicContact CE-CD1 3.62Å; M32-L92 HydrophobicContact CE-CD2 4.45Å; M32-L92 HydrophobicContact CG-CD1 4.49Å; M32-L92 HydrophobicContact SD-CD1 3.44Å; M32-L92 WeakPolarHBondContact SD-CD1 3.48Å; E34-L92 HydrophobicContact CG-CD2 4.47Å; L70-L92 HydrophobicContact CB-CB 4.4Å; L70-L92 HydrophobicContact CD1-CB 4.42Å; L70-L92 HydrophobicContact CD1-CD1 3.79Å; L88-L92 HydrophobicContact CD1-CD1 4.08Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 3.38Å; A89-L92 CarbonylContact O-C 3.57Å; A89-L92 PolarHBondContact O-N 3.31Å; A90-L92 PolarHBondContact O-N 2.78Å
93	G	97.8	Very high	98.3	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	17.8	171.5	0	0	0	0	0	115.5	G72 A89 A90 R91	G72-G93 PolarHBondContact N-O 3.43Å; A89-G93 PolarHBondContact O-N 2.88Å; A90-G93 PolarHBondContact O-N 3.24Å; R91-G93 VanDerWaalsContact C-N 3.3Å
94	A	98.6	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.			trans	-71.9	154.7	166.4	0	0	0	0	0	111.8	L70 R73 V75 A89 V96	L70-A94 HydrophobicContact CB-CB 4.42Å; L70-A94 VanDerWaalsContact O-CA 3.31Å; L70-A94 WeakPolarHBondContact O-CA 3.3Å; L70-A94 WeakPolarHBondContact O-CB 3.38Å; R73-A94 WeakPolarHBondContact O-CA 3.49Å; V75-A94 HydrophobicContact CB-CB 4.41Å; V75-A94 HydrophobicContact CG2-CB 3.69Å; A89-A94 HydrophobicContact CB-CB 4.2Å; A89-A94 VanDerWaalsContact O-CB 3.28Å; A89-A94 WeakPolarHBondContact O-CB 3.41Å; A89-A94 PolarHBondContact O-N 3.49Å; A94-V96 HydrophobicContact CB-CG2 3.64Å
95	E	98.6	Very high	98.2	Very high	83 Å²	83	21.9 Å²	21.9	39%	0.388	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	104.4	164.2	-72.7	177.9	-158.2	0	0	108.7	R73 R74 V75 S123	R73-E95 PolarHBondContact O-N 2.95Å; R74-E95 WeakPolarHBondContact CA-O 3.47Å; R74-E95 HydrophobicContact CG-CB 4.24Å; R74-E95 IonicContact NE-OE2 2.87Å; V75-E95 PolarHBondContact N-O 3.45Å; E95-S123 WeakPolarHBondContact CG-OG 3.16Å
96	V	98.8	Very high	98.1	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.9	-166	-171.7	0	0	0	0	112.6	V75 A89 A90 A94 V98 P126 A127	V75-V96 HydrophobicContact CB-CG2 4.26Å; V75-V96 CarbonylContact O-C 3.58Å; V75-V96 WeakPolarHBondContact O-CA 3.3Å; A89-V96 HydrophobicContact CB-CG2 4.01Å; A90-V96 HydrophobicContact CB-CB 4.22Å; A90-V96 HydrophobicContact CB-CG2 3.71Å; A94-V96 HydrophobicContact CB-CG2 3.64Å; V96-V98 HydrophobicContact CG1-CG1 3.69Å; V96-P126 HydrophobicContact CB-CB 4.44Å; V96-P126 CarbonylContact O-C 3.5Å; V96-P126 VanDerWaalsContact O-CA 3.32Å; V96-P126 WeakPolarHBondContact O-CA 3.27Å; V96-A127 PolarHBondContact O-N 3.47Å
97	T	98.9	Very high	98	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.117	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.6	159.2	-65.3	0	0	0	0	109	V75 I76 E77 T99 A127 L129 F140 W144	V75-T97 PolarHBondContact O-N 3.09Å; I76-T97 CarbonylContact C-O 3.54Å; I76-T97 VanDerWaalsContact CA-O 3.27Å; I76-T97 WeakPolarHBondContact CA-O 3.49Å; I76-T97 HydrophobicContact CG1-CG2 4.4Å; E77-T97 PolarHBondContact N-O 3.15Å; T97-T99 HydrophobicContact CG2-CG2 3.78Å; T97-A127 CarbonylContact C-O 3.57Å; T97-A127 WeakPolarHBondContact CA-O 3.16Å; T97-A127 HydrophobicContact CG2-CB 4.37Å; T97-L129 HydrophobicContact CG2-CB 4.49Å; T97-L129 HydrophobicContact CG2-CD1 3.96Å; T97-L129 HydrophobicContact CG2-CG 4.41Å; T97-F140 HydrophobicContact CG2-CE1 4.15Å; T97-W144 HydrophobicContact CG2-CH2 4.49Å; T97-W144 WeakPolarHBondContact OG1-CH2 3.48Å
98	V	98.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.6	173.6	-65.4	0	0	0	0	109.9	E77 A80 V96 L108 V112 A127 V128 L129	E77-V98 HydrophobicContact CB-CG1 4.21Å; E77-V98 WeakPolarHBondContact OE2-CG1 3.43Å; A80-V98 HydrophobicContact CB-CB 4.23Å; V96-V98 HydrophobicContact CG1-CG1 3.69Å; V98-L108 HydrophobicContact CB-CD1 4.26Å; V98-L108 HydrophobicContact CB-CD2 4.11Å; V98-L108 HydrophobicContact CG2-CD1 3.9Å; V98-L108 HydrophobicContact CG2-CD2 3.81Å; V98-L108 HydrophobicContact CG2-CG 3.87Å; V98-V112 HydrophobicContact CG2-CG2 4.32Å; V98-A127 WeakPolarHBondContact CG2-O 3.33Å; V98-A127 PolarHBondContact N-O 2.98Å; V98-V128 HydrophobicContact CG2-CB 4.22Å; V98-V128 HydrophobicContact CG2-CG1 4.4Å; V98-V128 HydrophobicContact CG2-CG2 3.66Å; V98-V128 WeakPolarHBondContact O-CA 3.23Å; V98-L129 PolarHBondContact O-N 3.4Å; V98-L129 VanDerWaalsContact O-N 3.15Å
99	T	98.9	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147	-174.5	73.3	0	0	0	0	112.9	I76 E77 G79 A80 T97 L129 L131 F140	I76-T99 HydrophobicContact CD1-CG2 4.05Å; I76-T99 HydrophobicContact CG1-CG2 4.08Å; E77-T99 WeakPolarHBondContact O-CB 3.33Å; E77-T99 PolarHBondContact O-N 2.87Å; E77-T99 PolarHBondContact O-OG1 3.02Å; G79-T99 PolarHBondContact N-O 3.28Å; A80-T99 WeakPolarHBondContact CB-O 3.3Å; A80-T99 PolarHBondContact N-O 2.87Å; T97-T99 HydrophobicContact CG2-CG2 3.78Å; T99-L129 VanDerWaalsContact CA-O 3.29Å; T99-L129 WeakPolarHBondContact CA-O 3.28Å; T99-L129 WeakPolarHBondContact CB-O 3.5Å; T99-L131 HydrophobicContact CG2-CB 4.06Å; T99-L131 HydrophobicContact CG2-CD1 4.11Å; T99-F140 HydrophobicContact CG2-CE1 3.93Å; T99-F140 HydrophobicContact CG2-CZ 4.22Å
100	D	98.8	Very high	97.9	Very high	18 Å²	18	33.8 Å²	33.8	10%	0.096	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-179	173.3	-148.9	-66.3	0	0	0	109.3	G79 A80 G81 A104 L105 L108 P130 L131	G79-D100 VanDerWaalsContact CA-OD2 3.29Å; G79-D100 WeakPolarHBondContact CA-OD2 3.37Å; A80-D100 PolarHBondContact N-OD2 2.91Å; G81-D100 WeakPolarHBondContact CA-OD2 3.47Å; G81-D100 PolarHBondContact N-OD2 3.06Å; D100-A104 HydrophobicContact CB-CB 3.84Å; D100-A104 WeakPolarHBondContact OD1-CB 3.37Å; D100-L105 HydrophobicContact CB-CD2 4.38Å; D100-L108 HydrophobicContact CB-CD2 4.49Å; D100-P130 WeakPolarHBondContact O-CA 3.36Å; D100-L131 PolarHBondContact O-N 3.42Å
101	L	98.3	Very high	97.9	Very high	75 Å²	75	33.7 Å²	33.7	39%	0.393	18%	0.183	S	C	.	.			trans	-64.5	153.2	169.6	-65.7	176.4	0	0	0	111.1	L103 A104 C132	L101-L103 HydrophobicContact CB-CD2 4.31Å; L101-L103 HydrophobicContact CB-CG 4.37Å; L101-L103 HydrophobicContact CD1-CD2 4.43Å; L101-L103 PolarHBondContact O-N 2.88Å; L101-A104 PolarHBondContact O-N 3.41Å; L101-C132 HydrophobicContact CD2-CB 4.02Å
102	P	97.6	Very high	98	Very high	88 Å²	88	32.6 Å²	32.6	57%	0.571	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-34.3	-178.5	-31.4	36.4	0	0	0	115.1	A104 L105 P106 P130	P102-A104 VanDerWaalsContact C-N 3.3Å; P102-A104 PolarHBondContact O-N 3.28Å; P102-L105 PolarHBondContact O-N 2.92Å; P102-P106 WeakPolarHBondContact O-CD 3.33Å; P102-P130 HydrophobicContact CG-CB 4.33Å
103	L	95.9	Very high	98	Very high	79 Å²	79	35.2 Å²	35.2	41%	0.414	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.5	-179.5	75.3	93.3	0	0	0	113.4	L46 A49 L101 P106	L46-L103 HydrophobicContact CD1-CD1 4.26Å; L46-L103 WeakPolarHBondContact CD1-O 3.41Å; L46-L103 HydrophobicContact CG-CD1 4.18Å; A49-L103 HydrophobicContact CB-CD1 4.28Å; L101-L103 HydrophobicContact CB-CD2 4.31Å; L101-L103 HydrophobicContact CB-CG 4.37Å; L101-L103 HydrophobicContact CD1-CD2 4.43Å; L101-L103 PolarHBondContact O-N 2.88Å; L103-P106 WeakPolarHBondContact O-CD 3.3Å
104	A	96.9	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.2	-176.4	0	0	0	0	0	112.5	A49 D100 L101 P102 P106 Q107 L108	A49-A104 HydrophobicContact CB-CB 3.88Å; D100-A104 HydrophobicContact CB-CB 3.84Å; D100-A104 WeakPolarHBondContact OD1-CB 3.37Å; L101-A104 PolarHBondContact O-N 3.41Å; P102-A104 VanDerWaalsContact C-N 3.3Å; P102-A104 PolarHBondContact O-N 3.28Å; A104-P106 VanDerWaalsContact C-CD 3.47Å; A104-Q107 PolarHBondContact O-N 3.38Å; A104-Q107 VanDerWaalsContact O-N 3.16Å; A104-L108 PolarHBondContact O-N 2.98Å
105	L	97.8	Very high	98	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-38.1	-174.9	-57.1	-173	0	0	0	114.7	D100 P102 Q107 L108 R109 V128 P130	D100-L105 HydrophobicContact CB-CD2 4.38Å; P102-L105 PolarHBondContact O-N 2.92Å; L105-Q107 PolarHBondContact O-N 2.93Å; L105-L108 HydrophobicContact CD2-CD2 4.24Å; L105-L108 PolarHBondContact O-N 3.28Å; L105-R109 WeakPolarHBondContact O-CB 3.43Å; L105-R109 VanDerWaalsContact O-CG 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3.44Å; L105-R109 PolarHBondContact O-N 3.19Å; L105-V128 HydrophobicContact CD2-CG1 3.98Å; L105-P130 HydrophobicContact CD1-CB 3.89Å; L105-P130 HydrophobicContact CD1-CG 4.32Å
106	P	96.9	Very high	97.9	Very high	90 Å²	90	37.8 Å²	37.8	58%	0.584	23%	0.227	S	C	*	.	H	α-helix	trans	-59.6	-44.6	176.4	-26	36.2	0	0	0	112.9	P102 L103 A104 A110	P102-P106 WeakPolarHBondContact O-CD 3.33Å; L103-P106 WeakPolarHBondContact O-CD 3.3Å; A104-P106 VanDerWaalsContact C-CD 3.47Å; P106-A110 WeakPolarHBondContact O-CB 3.43Å; P106-A110 PolarHBondContact O-N 3.45Å; P106-A110 VanDerWaalsContact O-N 3.08Å
107	Q	96.4	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-46.5	175.7	179.6	-179	-94	0	0	110.7	L41 L46 A49 G81 A104 L105 R109 A110 N111	L41-Q107 HydrophobicContact CD1-CB 4.09Å; L41-Q107 HydrophobicContact CD1-CG 4.23Å; L46-Q107 HydrophobicContact CD2-CB 3.88Å; L46-Q107 HydrophobicContact CD2-CG 4.3Å; L46-Q107 VanDerWaalsContact CD2-OE1 3.25Å; A49-Q107 PolarHBondContact O-NE2 3.07Å; G81-Q107 PolarHBondContact O-NE2 2.83Å; A104-Q107 PolarHBondContact O-N 3.38Å; A104-Q107 VanDerWaalsContact O-N 3.16Å; L105-Q107 PolarHBondContact O-N 2.93Å; Q107-R109 PolarHBondContact O-N 3.16Å; Q107-A110 WeakPolarHBondContact O-CB 3.31Å; Q107-A110 PolarHBondContact O-N 3.23Å; Q107-A110 VanDerWaalsContact O-N 3.16Å; Q107-N111 PolarHBondContact O-N 3.29Å
108	L	97.9	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-46.3	-179.9	-175.4	54.2	0	0	0	111.8	A80 V98 D100 A104 L105 A110 N111 V112 V128	A80-L108 HydrophobicContact CB-CD1 4.13Å; A80-L108 HydrophobicContact CB-CD2 4.04Å; V98-L108 HydrophobicContact CB-CD1 4.26Å; V98-L108 HydrophobicContact CB-CD2 4.11Å; V98-L108 HydrophobicContact CG2-CD1 3.9Å; V98-L108 HydrophobicContact CG2-CD2 3.81Å; V98-L108 HydrophobicContact CG2-CG 3.87Å; D100-L108 HydrophobicContact CB-CD2 4.49Å; A104-L108 PolarHBondContact O-N 2.98Å; L105-L108 HydrophobicContact CD2-CD2 4.24Å; L105-L108 PolarHBondContact O-N 3.28Å; L108-A110 PolarHBondContact O-N 3.03Å; L108-N111 PolarHBondContact O-N 3.46Å; L108-V112 WeakPolarHBondContact O-CG2 3.34Å; L108-V112 PolarHBondContact O-N 2.83Å; L108-V128 HydrophobicContact CB-CG1 4.2Å; L108-V128 HydrophobicContact CD2-CG1 3.72Å; L108-V128 HydrophobicContact CG-CG1 3.77Å; L108-V128 HydrophobicContact CG-CG2 4.42Å
109	R	98.5	Very high	97.3	Very high	116 Å²	116	48.8 Å²	48.8	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175.1	-72.3	-175.8	-164.3	-68.7	-9.7	112.4	L105 Q107 V112 S113 V128	L105-R109 WeakPolarHBondContact O-CB 3.43Å; L105-R109 VanDerWaalsContact O-CG 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3.44Å; L105-R109 PolarHBondContact O-N 3.19Å; Q107-R109 PolarHBondContact O-N 3.16Å; R109-V112 PolarHBondContact O-N 3.47Å; R109-S113 WeakPolarHBondContact O-CB 3.4Å; R109-S113 PolarHBondContact O-N 3.15Å; R109-S113 PolarHBondContact O-OG 3.38Å; R109-V128 HydrophobicContact CG-CB 3.9Å; R109-V128 HydrophobicContact CG-CG1 3.69Å; R109-V128 HydrophobicContact CG-CG2 4.09Å; R109-V128 PolarHBondContact NH1-O 3.24Å; R109-V128 PolarHBondContact NH2-O 3.26Å
110	A	97.9	Very high	97.2	Very high	45 Å²	45	50.3 Å²	50.3	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-44.6	177.5	0	0	0	0	0	111.1	P106 Q107 L108 S113 A114	P106-A110 WeakPolarHBondContact O-CB 3.43Å; P106-A110 PolarHBondContact O-N 3.45Å; P106-A110 VanDerWaalsContact O-N 3.08Å; Q107-A110 WeakPolarHBondContact O-CB 3.31Å; Q107-A110 PolarHBondContact O-N 3.23Å; Q107-A110 VanDerWaalsContact O-N 3.16Å; L108-A110 PolarHBondContact O-N 3.03Å; A110-S113 PolarHBondContact O-N 2.92Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 2.75Å
111	N	98.6	Very high	97.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-43.5	177.4	-72.2	-24.5	0	0	0	112.1	I38 K39 T82 I87 Q107 L108 S113 A114 N115	I38-N111 HydrophobicContact CD1-CB 4.42Å; K39-N111 WeakPolarHBondContact CB-OD1 3.43Å; K39-N111 PolarHBondContact N-OD1 3.26Å; K39-N111 PolarHBondContact O-ND2 2.92Å; K39-N111 PolarHBondContact O-OD1 3.11Å; T82-N111 WeakPolarHBondContact O-CB 3.47Å; T82-N111 PolarHBondContact O-ND2 3.15Å; I87-N111 HydrophobicContact CD1-CB 3.78Å; Q107-N111 PolarHBondContact O-N 3.29Å; L108-N111 PolarHBondContact O-N 3.46Å; N111-S113 VanDerWaalsContact C-N 3.29Å; N111-S113 PolarHBondContact O-N 3.46Å; N111-A114 PolarHBondContact O-N 2.95Å; N111-N115 PolarHBondContact O-N 2.92Å; N111-N115 PolarHBondContact O-ND2 3.37Å
112	V	98.6	Very high	97	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-44.8	173.9	170.4	0	0	0	0	110.7	I87 V98 L108 R109 A114 N115 W121 P126 V128	I87-V112 HydrophobicContact CD1-CG2 4.1Å; I87-V112 HydrophobicContact CG1-CG2 3.84Å; V98-V112 HydrophobicContact CG2-CG2 4.32Å; L108-V112 WeakPolarHBondContact O-CG2 3.34Å; L108-V112 PolarHBondContact O-N 2.83Å; R109-V112 PolarHBondContact O-N 3.47Å; V112-A114 PolarHBondContact O-N 3.32Å; V112-N115 PolarHBondContact O-N 2.81Å; V112-W121 HydrophobicContact CG1-CZ2 4.07Å; V112-P126 HydrophobicContact CG1-CB 4.06Å; V112-P126 HydrophobicContact CG1-CG 4.05Å; V112-P126 HydrophobicContact CG2-CB 4.32Å; V112-V128 HydrophobicContact CB-CG2 4.39Å; V112-V128 HydrophobicContact CG2-CG2 3.89Å
113	S	98	Very high	96.9	Very high	85 Å²	85	48.6 Å²	48.6	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-66.9	-34.7	-179.6	-55.3	0	0	0	0	113	R109 A110 N111 N115 V116	R109-S113 WeakPolarHBondContact O-CB 3.4Å; R109-S113 PolarHBondContact O-N 3.15Å; R109-S113 PolarHBondContact O-OG 3.38Å; A110-S113 PolarHBondContact O-N 2.92Å; N111-S113 VanDerWaalsContact C-N 3.29Å; N111-S113 PolarHBondContact O-N 3.46Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.88Å; S113-V116 WeakPolarHBondContact O-CG2 3.47Å
114	A	97.6	Very high	96.9	Very high	58 Å²	58	47.2 Å²	47.2	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-73.9	-16.8	178.8	0	0	0	0	0	113.6	A110 N111 V112	A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 2.75Å; N111-A114 PolarHBondContact O-N 2.95Å; V112-A114 PolarHBondContact O-N 3.32Å
115	N	98.3	Very high	96.9	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	15.9	-174.4	-73.2	-76.2	0	0	0	114.1	L36 R37 I87 R91 N111 V112 S113 P117	L36-N115 WeakPolarHBondContact CA-OD1 3.25Å; R37-N115 PolarHBondContact N-OD1 2.98Å; R37-N115 PolarHBondContact O-ND2 2.8Å; I87-N115 HydrophobicContact CG2-CB 3.58Å; R91-N115 WeakPolarHBondContact CD-O 3.44Å; R91-N115 PolarHBondContact NE-O 2.87Å; N111-N115 PolarHBondContact O-N 2.92Å; N111-N115 PolarHBondContact O-ND2 3.37Å; V112-N115 PolarHBondContact O-N 2.81Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.88Å; N115-P117 WeakPolarHBondContact O-CD 3.42Å
116	V	97.5	Very high	96.9	Very high	74 Å²	74	51.2 Å²	51.2	45%	0.448	34%	0.341	S	S	.	.			trans	-61.8	123.2	173.9	-179	0	0	0	0	109.3	S113 W121	S113-V116 WeakPolarHBondContact O-CG2 3.47Å; V116-W121 HydrophobicContact CG2-CZ2 4.02Å
117	P	95.1	Very high	97	Very high	12 Å²	12	48.8 Å²	48.8	8%	0.078	33%	0.329	C	S	.	.			trans	-62.9	151.9	177.1	-14.4	24.2	0	0	0	111.6	N115 A119 G120 W121	N115-P117 WeakPolarHBondContact O-CD 3.42Å; P117-A119 PolarHBondContact O-N 3.03Å; P117-A119 VanDerWaalsContact O-N 3.15Å; P117-G120 WeakPolarHBondContact CB-O 3.36Å; P117-G120 VanDerWaalsContact CG-O 3.25Å; P117-G120 WeakPolarHBondContact CG-O 3.42Å; P117-G120 WeakPolarHBondContact O-CA 3.33Å; P117-G120 PolarHBondContact O-N 3Å; P117-W121 HydrophobicContact CG-CE3 4.43Å
118	P	93.6	Very high	97.1	Very high	143 Å²	143	49.1 Å²	49.1	93%	0.929	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.3	174.3	-26.6	34.9	0	0	0	114.1	G120	P118-G120 VanDerWaalsContact C-N 3.31Å
119	A	94.8	Very high	97.2	Very high	103 Å²	103	52.5 Å²	52.5	85%	0.851	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.6	177.2	0	0	0	0	0	113.8	P117	P117-A119 PolarHBondContact O-N 3.03Å; P117-A119 VanDerWaalsContact O-N 3.15Å
120	G	96.1	Very high	97.2	Very high	31 Å²	31	49.6 Å²	49.6	32%	0.32	35%	0.345	S	S	.	.			trans	80.6	172	-167.3	0	0	0	0	0	112.8	P117 P118	P117-G120 WeakPolarHBondContact CB-O 3.36Å; P117-G120 VanDerWaalsContact CG-O 3.25Å; P117-G120 WeakPolarHBondContact CG-O 3.42Å; P117-G120 WeakPolarHBondContact O-CA 3.33Å; P117-G120 PolarHBondContact O-N 3Å; P118-G120 VanDerWaalsContact C-N 3.31Å
121	W	97.1	Very high	97.2	Very high	32 Å²	32	47.6 Å²	47.6	12%	0.121	33%	0.328	C	S	.	.			trans	-62.6	136.9	177.7	-64.7	99	0	0	0	110.7	I87 A90 R91 V112 V116 P117 S123 P125 P126	I87-W121 HydrophobicContact CG2-CH2 4.42Å; A90-W121 HydrophobicContact CB-CE3 3.79Å; A90-W121 HydrophobicContact CB-CZ3 3.61Å; R91-W121 HydrophobicContact CG-CZ3 3.99Å; V112-W121 HydrophobicContact CG1-CZ2 4.07Å; V116-W121 HydrophobicContact CG2-CZ2 4.02Å; P117-W121 HydrophobicContact CG-CE3 4.43Å; W121-S123 PolarHBondContact O-N 3.05Å; W121-S123 VanDerWaalsContact O-O 3.13Å; W121-P125 HydrophobicContact CG-CB 4.29Å; W121-P125 HydrophobicContact CG-CG 4.46Å; W121-P126 HydrophobicContact CD2-CG 4.5Å; W121-P126 VanDerWaalsContact CE2-CD 3.41Å; W121-P126 HydrophobicContact CE3-CG 4.32Å; W121-P126 HydrophobicContact CH2-CG 3.92Å; W121-P126 HydrophobicContact CZ2-CG 4.09Å; W121-P126 HydrophobicContact CZ3-CG 4.03Å
122	P	96.8	Very high	97.2	Very high	69 Å²	69	49 Å²	49	45%	0.448	34%	0.337	S	S	.	.	S	Bend	trans	-65.1	-22.6	179.2	-19.4	29.9	0	0	0	113.9	R91	R91-P122 WeakPolarHBondContact O-CG 3.42Å
123	S	95.4	Very high	97.2	Very high	45 Å²	45	50 Å²	50	32%	0.315	34%	0.34	S	S	.	.	S	Bend	trans	-122.6	-131.9	168.6	-171.8	0	0	0	0	108.7	E95 W121	E95-S123 WeakPolarHBondContact CG-OG 3.16Å; W121-S123 PolarHBondContact O-N 3.05Å; W121-S123 VanDerWaalsContact O-O 3.13Å
124	A	95.1	Very high	97.2	Very high	50 Å²	50	46.9 Å²	46.9	41%	0.413	32%	0.321	S	S	.	.	S	Bend	trans	-82.1	153	172.6	0	0	0	0	0	112.4
125	P	96.8	Very high	97.3	Very high	90 Å²	90	50.6 Å²	50.6	58%	0.584	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-55.2	138.4	164.9	-18.8	28.6	0	0	0	111.3	W121 A127	W121-P125 HydrophobicContact CG-CB 4.29Å; W121-P125 HydrophobicContact CG-CG 4.46Å; P125-A127 PolarHBondContact O-N 2.98Å
126	P	98.3	Very high	97.3	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.071	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-55.9	128.4	177.9	-26.3	34.1	0	0	0	112.1	A90 V96 V112 W121	A90-P126 HydrophobicContact CB-CG 3.47Å; A90-P126 VanDerWaalsContact CB-CG 3.47Å; V96-P126 HydrophobicContact CB-CB 4.44Å; V96-P126 CarbonylContact O-C 3.5Å; V96-P126 VanDerWaalsContact O-CA 3.32Å; V96-P126 WeakPolarHBondContact O-CA 3.27Å; V112-P126 HydrophobicContact CG1-CB 4.06Å; V112-P126 HydrophobicContact CG1-CG 4.05Å; V112-P126 HydrophobicContact CG2-CB 4.32Å; W121-P126 HydrophobicContact CD2-CG 4.5Å; W121-P126 VanDerWaalsContact CE2-CD 3.41Å; W121-P126 HydrophobicContact CE3-CG 4.32Å; W121-P126 HydrophobicContact CH2-CG 3.92Å; W121-P126 HydrophobicContact CZ2-CG 4.09Å; W121-P126 HydrophobicContact CZ3-CG 4.03Å
127	A	98.6	Very high	97.3	Very high	39 Å²	39	50 Å²	50	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.9	169.6	0	0	0	0	0	109.1	V96 T97 V98 P125	V96-A127 PolarHBondContact O-N 3.47Å; T97-A127 CarbonylContact C-O 3.57Å; T97-A127 WeakPolarHBondContact CA-O 3.16Å; T97-A127 HydrophobicContact CG2-CB 4.37Å; V98-A127 WeakPolarHBondContact CG2-O 3.33Å; V98-A127 PolarHBondContact N-O 2.98Å; P125-A127 PolarHBondContact O-N 2.98Å
128	V	98.8	Very high	97.4	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.5	175.6	-177.6	0	0	0	0	108.4	V98 L105 L108 R109 V112	V98-V128 HydrophobicContact CG2-CB 4.22Å; V98-V128 HydrophobicContact CG2-CG1 4.4Å; V98-V128 HydrophobicContact CG2-CG2 3.66Å; V98-V128 WeakPolarHBondContact O-CA 3.23Å; L105-V128 HydrophobicContact CD2-CG1 3.98Å; L108-V128 HydrophobicContact CB-CG1 4.2Å; L108-V128 HydrophobicContact CD2-CG1 3.72Å; L108-V128 HydrophobicContact CG-CG1 3.77Å; L108-V128 HydrophobicContact CG-CG2 4.42Å; R109-V128 HydrophobicContact CG-CB 3.9Å; R109-V128 HydrophobicContact CG-CG1 3.69Å; R109-V128 HydrophobicContact CG-CG2 4.09Å; R109-V128 PolarHBondContact NH1-O 3.24Å; R109-V128 PolarHBondContact NH2-O 3.26Å; V112-V128 HydrophobicContact CB-CG2 4.39Å; V112-V128 HydrophobicContact CG2-CG2 3.89Å
129	L	98.8	Very high	97.6	Very high	71 Å²	71	53 Å²	53	37%	0.372	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145	-172	-64.1	176.1	0	0	0	111.9	T97 V98 T99 F140	T97-L129 HydrophobicContact CG2-CB 4.49Å; T97-L129 HydrophobicContact CG2-CD1 3.96Å; T97-L129 HydrophobicContact CG2-CG 4.41Å; V98-L129 PolarHBondContact O-N 3.4Å; V98-L129 VanDerWaalsContact O-N 3.15Å; T99-L129 VanDerWaalsContact CA-O 3.29Å; T99-L129 WeakPolarHBondContact CA-O 3.28Å; T99-L129 WeakPolarHBondContact CB-O 3.5Å; L129-F140 HydrophobicContact CB-CE1 4.02Å; L129-F140 HydrophobicContact CB-CZ 3.98Å; L129-F140 HydrophobicContact CD1-CE1 3.77Å; L129-F140 HydrophobicContact CD1-CZ 4.34Å
130	P	98.7	Very high	97.8	Very high	55 Å²	55	49 Å²	49	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.3	171.3	27.8	-31.6	0	0	0	110.6	D100 P102 L105 F140	D100-P130 WeakPolarHBondContact O-CA 3.36Å; P102-P130 HydrophobicContact CG-CB 4.33Å; L105-P130 HydrophobicContact CD1-CB 3.89Å; L105-P130 HydrophobicContact CD1-CG 4.32Å; P130-F140 WeakPolarHBondContact O-CZ 3.41Å
131	L	98.8	Very high	97.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	31%	0.309	C	S	.	.			trans	-148.6	106.3	169	-166.2	165.5	0	0	0	110	I76 L78 T99 D100 D136 F140 T165	I76-L131 HydrophobicContact CD1-CD1 4.15Å; L78-L131 HydrophobicContact CD2-CD1 3.78Å; L78-L131 HydrophobicContact CD2-CD2 4.1Å; T99-L131 HydrophobicContact CG2-CB 4.06Å; T99-L131 HydrophobicContact CG2-CD1 4.11Å; D100-L131 PolarHBondContact O-N 3.42Å; L131-D136 HydrophobicContact CG-CB 4.38Å; L131-F140 HydrophobicContact CB-CE2 3.95Å; L131-F140 HydrophobicContact CB-CZ 3.97Å; L131-F140 HydrophobicContact CD1-CD1 4.29Å; L131-F140 HydrophobicContact CD1-CD2 3.69Å; L131-F140 HydrophobicContact CD1-CE1 4.19Å; L131-F140 HydrophobicContact CD1-CE2 3.59Å; L131-F140 HydrophobicContact CD1-CG 4.06Å; L131-F140 HydrophobicContact CD1-CZ 3.85Å; L131-F140 HydrophobicContact CG-CD2 4.15Å; L131-F140 HydrophobicContact CG-CE2 3.7Å; L131-F140 HydrophobicContact CG-CZ 4.14Å; L131-T165 HydrophobicContact CD2-CG2 4Å
132	C	98.6	Very high	97.7	Very high	30 Å²	30	50 Å²	50	20%	0.203	31%	0.311	C	S	.	.			trans	-84	122.4	165.1	-172.3	0	0	0	0	109.8	L101 E135 D136	L101-C132 HydrophobicContact CD2-CB 4.02Å; C132-E135 HydrophobicContact CB-CB 4.13Å; C132-E135 PolarHBondContact O-N 2.87Å; C132-E135 VanDerWaalsContact O-N 3.16Å; C132-E135 VanDerWaalsContact SG-CD 3.54Å; C132-E135 PolarHBondContact SG-OE2 3.41Å; C132-E135 VanDerWaalsContact SG-OE2 3.34Å; C132-D136 VanDerWaalsContact CB-OD2 3.3Å; C132-D136 WeakPolarHBondContact CB-OD2 3.39Å; C132-D136 PolarHBondContact N-OD2 3.31Å; C132-D136 PolarHBondContact O-N 2.98Å
133	W	98.7	Very high	97.6	Very high	35 Å²	35	50.9 Å²	50.9	13%	0.133	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	138.7	-177.5	-55	-30.4	0	0	0	111.1	E135 I152 L161 L162 T165	W133-E135 PolarHBondContact O-N 3.34Å; W133-I152 HydrophobicContact CH2-CB 3.67Å; W133-I152 HydrophobicContact CH2-CD1 4.23Å; W133-I152 HydrophobicContact CH2-CG1 4.37Å; W133-I152 HydrophobicContact CH2-CG2 4.32Å; W133-I152 HydrophobicContact CZ2-CB 3.94Å; W133-I152 HydrophobicContact CZ2-CD1 3.91Å; W133-I152 HydrophobicContact CZ2-CG1 4.48Å; W133-I152 HydrophobicContact CZ2-CG2 4.21Å; W133-L161 HydrophobicContact CB-CB 4.17Å; W133-L162 HydrophobicContact CD2-CB 4.35Å; W133-L162 HydrophobicContact CD2-CD1 3.95Å; W133-L162 HydrophobicContact CE3-CB 4.06Å; W133-L162 HydrophobicContact CE3-CD1 4.3Å; W133-L162 HydrophobicContact CG-CD1 4.25Å; W133-T165 VanDerWaalsContact CA-OG1 3.3Å; W133-T165 WeakPolarHBondContact CA-OG1 3.43Å; W133-T165 WeakPolarHBondContact CB-OG1 3.47Å
134	G	98.4	Very high	97.7	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-9.4	-178.1	0	0	0	0	0	114.2	H137 L161 T165	G134-H137 VanDerWaalsContact C-CE1 3.4Å; G134-H137 VanDerWaalsContact C-ND1 3.27Å; G134-H137 WeakPolarHBondContact CA-ND1 3.32Å; G134-H137 PolarHBondContact O-CE1 2.93Å; G134-H137 VanDerWaalsContact O-CE1 3.3Å; G134-L161 PolarHBondContact N-O 3.36Å; G134-T165 PolarHBondContact N-OG1 2.92Å
135	E	98.1	Very high	97.9	Very high	136 Å²	136	49.6 Å²	49.6	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-57.2	-176.9	-63.2	-179.5	-173.6	0	0	111.8	C132 W133 H137	C132-E135 HydrophobicContact CB-CB 4.13Å; C132-E135 PolarHBondContact O-N 2.87Å; C132-E135 VanDerWaalsContact O-N 3.16Å; C132-E135 VanDerWaalsContact SG-CD 3.54Å; C132-E135 PolarHBondContact SG-OE2 3.41Å; C132-E135 VanDerWaalsContact SG-OE2 3.34Å; W133-E135 PolarHBondContact O-N 3.34Å; E135-H137 PolarHBondContact N-ND1 2.65Å
136	D	98.4	Very high	98	Very high	64 Å²	64	46 Å²	46	34%	0.342	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.6	-169.4	-65.8	-39.6	0	0	0	113.8	L131 C132 L138 A139 F140	L131-D136 HydrophobicContact CG-CB 4.38Å; C132-D136 VanDerWaalsContact CB-OD2 3.3Å; C132-D136 WeakPolarHBondContact CB-OD2 3.39Å; C132-D136 PolarHBondContact N-OD2 3.31Å; C132-D136 PolarHBondContact O-N 2.98Å; D136-L138 PolarHBondContact O-N 3.27Å; D136-L138 VanDerWaalsContact O-N 3.1Å; D136-A139 WeakPolarHBondContact O-CB 3.4Å; D136-A139 PolarHBondContact O-N 3.32Å; D136-F140 HydrophobicContact CB-CE2 4.48Å; D136-F140 WeakPolarHBondContact O-CD2 3.3Å
137	H	98.1	Very high	98	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.028	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.1	-31.3	-167.9	61.8	-83.8	0	0	0	113.9	G134 E135 A139 F140 T165 H168	G134-H137 VanDerWaalsContact C-CE1 3.4Å; G134-H137 VanDerWaalsContact C-ND1 3.27Å; G134-H137 WeakPolarHBondContact CA-ND1 3.32Å; G134-H137 PolarHBondContact O-CE1 2.93Å; G134-H137 VanDerWaalsContact O-CE1 3.3Å; E135-H137 PolarHBondContact N-ND1 2.65Å; H137-A139 PolarHBondContact O-N 3.01Å; H137-F140 WeakPolarHBondContact O-CB 3.21Å; H137-F140 PolarHBondContact O-N 2.85Å; H137-F140 VanDerWaalsContact O-N 3.09Å; H137-T165 HydrophobicContact CB-CG2 3.79Å; H137-H168 AromaticContact CD2-CG 3.91Å; H137-H168 PolarHBondContact O-CD2 3.16Å; H137-H168 PolarHBondContact O-NE2 2.74Å
138	L	97.8	Very high	98	Very high	125 Å²	125	43.6 Å²	43.6	65%	0.654	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66	-20.7	178.1	-62.7	179.4	0	0	0	114	D136 F140	D136-L138 PolarHBondContact O-N 3.27Å; D136-L138 VanDerWaalsContact O-N 3.1Å; L138-F140 PolarHBondContact O-N 3.14Å
139	A	97.9	Very high	98	Very high	93 Å²	93	43.3 Å²	43.3	77%	0.769	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-77.5	-12	175.3	0	0	0	0	0	112.9	D136 H137	D136-A139 WeakPolarHBondContact O-CB 3.4Å; D136-A139 PolarHBondContact O-N 3.32Å; H137-A139 PolarHBondContact O-N 3.01Å
140	F	98.3	Very high	98	Very high	19 Å²	19	40.5 Å²	40.5	8%	0.083	24%	0.236	C	C	.	.	S	Bend	trans	-94.4	146.6	178.4	-68.6	-99.7	0	0	0	110.4	I76 T97 T99 L129 P130 L131 D136 H137 L138 H168 L169	I76-F140 HydrophobicContact CD1-CD1 3.85Å; I76-F140 HydrophobicContact CD1-CE1 4.35Å; I76-F140 HydrophobicContact CD1-CG 4.42Å; T97-F140 HydrophobicContact CG2-CE1 4.15Å; T99-F140 HydrophobicContact CG2-CE1 3.93Å; T99-F140 HydrophobicContact CG2-CZ 4.22Å; L129-F140 HydrophobicContact CB-CE1 4.02Å; L129-F140 HydrophobicContact CB-CZ 3.98Å; L129-F140 HydrophobicContact CD1-CE1 3.77Å; L129-F140 HydrophobicContact CD1-CZ 4.34Å; P130-F140 WeakPolarHBondContact O-CZ 3.41Å; L131-F140 HydrophobicContact CB-CE2 3.95Å; L131-F140 HydrophobicContact CB-CZ 3.97Å; L131-F140 HydrophobicContact CD1-CD1 4.29Å; L131-F140 HydrophobicContact CD1-CD2 3.69Å; L131-F140 HydrophobicContact CD1-CE1 4.19Å; L131-F140 HydrophobicContact CD1-CE2 3.59Å; L131-F140 HydrophobicContact CD1-CG 4.06Å; L131-F140 HydrophobicContact CD1-CZ 3.85Å; L131-F140 HydrophobicContact CG-CD2 4.15Å; L131-F140 HydrophobicContact CG-CE2 3.7Å; L131-F140 HydrophobicContact CG-CZ 4.14Å; D136-F140 HydrophobicContact CB-CE2 4.48Å; D136-F140 WeakPolarHBondContact O-CD2 3.3Å; H137-F140 WeakPolarHBondContact O-CB 3.21Å; H137-F140 PolarHBondContact O-N 2.85Å; H137-F140 VanDerWaalsContact O-N 3.09Å; L138-F140 PolarHBondContact O-N 3.14Å; F140-H168 PolarHBondContact O-NE2 2.83Å; F140-L169 HydrophobicContact CB-CD2 3.91Å
141	P	97.1	Very high	97.9	Very high	60 Å²	60	38.4 Å²	38.4	39%	0.39	22%	0.222	S	C	.	.			trans	-68.7	172.2	175	36	-39.9	0	0	0	110.3	D143 W144	P141-D143 VanDerWaalsContact CB-OD1 3.29Å; P141-D143 WeakPolarHBondContact CB-OD1 3.29Å; P141-W144 HydrophobicContact CG-CH2 4.44Å; P141-W144 HydrophobicContact CG-CZ2 3.7Å; P141-W144 PolarHBondContact O-NE1 3.45Å
142	S	94	Very high	97.9	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	22%	0.223	C	C	.	.	S	Bend	trans	-124.5	13.7	-174.8	53.8	0	0	0	0	113.3	W144 H168 N172	S142-W144 VanDerWaalsContact C-N 3.31Å; S142-H168 VanDerWaalsContact CB-O 3.27Å; S142-H168 WeakPolarHBondContact CB-O 3.5Å; S142-N172 VanDerWaalsContact C-ND2 3.35Å; S142-N172 WeakPolarHBondContact O-CB 3.5Å; S142-N172 PolarHBondContact O-ND2 3.37Å; S142-N172 PolarHBondContact OG-ND2 3.38Å; S142-N172 VanDerWaalsContact OG-ND2 3.1Å
143	D	94.6	Very high	97.9	Very high	87 Å²	87	37.2 Å²	37.2	47%	0.465	21%	0.213	S	C	.	.			trans	-98.2	40.3	179.2	59.7	-20.9	0	0	0	111.3	R74 P141	R74-D143 IonicContact CZ-OD1 2.96Å; R74-D143 IonicContact CZ-OD2 2.77Å; R74-D143 PolarHBondContact NH1-O 2.91Å; R74-D143 IonicContact NH1-OD1 3.97Å; R74-D143 PolarHBondContact NH1-OD1 2.9Å; R74-D143 IonicContact NH1-OD2 3.28Å; R74-D143 PolarHBondContact NH1-OD2 3.29Å; R74-D143 IonicContact NH2-OD1 2.96Å; P141-D143 VanDerWaalsContact CB-OD1 3.29Å; P141-D143 WeakPolarHBondContact CB-OD1 3.29Å
144	W	98.3	Very high	97.8	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.049	22%	0.22	C	C	.	.			trans	-79.8	146.1	173.3	-56.1	103.2	0	0	0	110.7	R74 I76 T97 P141 S142 A174	R74-W144 HydrophobicContact CB-CE3 4.11Å; I76-W144 HydrophobicContact CB-CD2 3.78Å; I76-W144 HydrophobicContact CB-CE3 3.84Å; I76-W144 HydrophobicContact CB-CG 4.41Å; I76-W144 HydrophobicContact CB-CH2 4.12Å; I76-W144 HydrophobicContact CB-CZ2 4.05Å; I76-W144 HydrophobicContact CB-CZ3 4.01Å; I76-W144 HydrophobicContact CD1-CH2 4.48Å; I76-W144 HydrophobicContact CD1-CZ2 3.87Å; I76-W144 HydrophobicContact CG1-CZ2 4.42Å; I76-W144 HydrophobicContact CG2-CB 4.36Å; I76-W144 HydrophobicContact CG2-CD2 3.62Å; I76-W144 HydrophobicContact CG2-CE3 4.09Å; I76-W144 HydrophobicContact CG2-CG 3.71Å; T97-W144 HydrophobicContact CG2-CH2 4.49Å; T97-W144 WeakPolarHBondContact OG1-CH2 3.48Å; P141-W144 HydrophobicContact CG-CH2 4.44Å; P141-W144 HydrophobicContact CG-CZ2 3.7Å; P141-W144 PolarHBondContact O-NE1 3.45Å; S142-W144 VanDerWaalsContact C-N 3.31Å; W144-A174 HydrophobicContact CB-CB 4.06Å; W144-A174 WeakPolarHBondContact O-CA 3.29Å; W144-A174 WeakPolarHBondContact O-CB 3.42Å
145	D	98.5	Very high	97.8	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	23%	0.23	S	C	.	.	S	Bend	trans	-82.7	-42.9	166.9	-70.6	-77.6	0	0	0	110.9	R73 R74 A174 V175	R73-D145 WeakPolarHBondContact CA-OD2 3.45Å; R73-D145 HydrophobicContact CB-CB 4.09Å; R73-D145 HydrophobicContact CG-CB 4.44Å; R73-D145 IonicContact NH1-OD1 3.86Å; R73-D145 PolarHBondContact NH1-OD1 2.97Å; R74-D145 PolarHBondContact N-OD2 3.47Å; R74-D145 WeakPolarHBondContact O-CB 3.26Å; R74-D145 PolarHBondContact O-N 2.81Å; D145-A174 WeakPolarHBondContact O-CA 3.44Å; D145-V175 PolarHBondContact O-N 2.93Å
146	L	98.8	Very high	97.7	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.6	-174.5	-59.2	174.6	0	0	0	112	L70 R73 R74 V75 I76 L148 V175 Y177	L70-L146 HydrophobicContact CD2-CD1 3.57Å; R73-L146 HydrophobicContact CB-CD1 4.5Å; R74-L146 PolarHBondContact O-N 3.29Å; R74-L146 VanDerWaalsContact O-N 3.16Å; V75-L146 WeakPolarHBondContact CA-O 3.47Å; V75-L146 HydrophobicContact CG1-CB 4.49Å; V75-L146 HydrophobicContact CG2-CB 4.18Å; V75-L146 HydrophobicContact CG2-CD1 4.28Å; I76-L146 PolarHBondContact N-O 3Å; L146-L148 HydrophobicContact CB-CD2 4.41Å; L146-V175 VanDerWaalsContact CA-O 3.29Å; L146-V175 WeakPolarHBondContact CA-O 3.37Å; L146-V175 HydrophobicContact CD2-CB 3.98Å; L146-Y177 HydrophobicContact CD2-CD2 4.31Å; L146-Y177 HydrophobicContact CD2-CE2 4.09Å
147	V	98.8	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.4	166.7	-174.6	0	0	0	0	108.7	I76 L78 L166 L169 A174 V175 V176 Y177	I76-V147 HydrophobicContact CG2-CB 4.28Å; I76-V147 HydrophobicContact CG2-CG1 4.15Å; I76-V147 HydrophobicContact CG2-CG2 3.79Å; I76-V147 CarbonylContact O-C 3.58Å; I76-V147 VanDerWaalsContact O-CA 3.32Å; I76-V147 WeakPolarHBondContact O-CA 3.4Å; L78-V147 HydrophobicContact CD1-CG1 3.96Å; L78-V147 HydrophobicContact CG-CG1 4.08Å; V147-L166 HydrophobicContact CB-CD2 4.4Å; V147-L166 HydrophobicContact CG1-CD2 3.64Å; V147-L169 HydrophobicContact CG1-CD1 4.46Å; V147-L169 HydrophobicContact CG2-CB 4.08Å; V147-A174 HydrophobicContact CG2-CB 4.22Å; V147-V175 PolarHBondContact N-O 3.5Å; V147-V176 HydrophobicContact CB-CB 4.48Å; V147-V176 HydrophobicContact CB-CG1 4.15Å; V147-V176 HydrophobicContact CB-CG2 4.22Å; V147-V176 HydrophobicContact CG1-CG1 4.36Å; V147-V176 CarbonylContact O-C 3.56Å; V147-V176 WeakPolarHBondContact O-CA 3.38Å; V147-Y177 PolarHBondContact O-N 3.06Å
148	L	98.9	Very high	97.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.5	-176.2	-54.7	-173.7	0	0	0	111	F63 V75 I76 E77 L78 V85 A89 L146	F63-L148 HydrophobicContact CE2-CD1 4.18Å; F63-L148 HydrophobicContact CE2-CD2 4Å; F63-L148 HydrophobicContact CZ-CD2 3.63Å; V75-L148 HydrophobicContact CG1-CD1 3.49Å; V75-L148 VanDerWaalsContact CG1-CD1 3.49Å; V75-L148 HydrophobicContact CG1-CG 3.63Å; I76-L148 PolarHBondContact O-N 2.86Å; E77-L148 WeakPolarHBondContact CA-O 3.39Å; E77-L148 HydrophobicContact CB-CB 4.34Å; E77-L148 HydrophobicContact CG-CB 4.28Å; L78-L148 PolarHBondContact N-O 3.44Å; V85-L148 HydrophobicContact CG1-CD1 3.87Å; A89-L148 HydrophobicContact CB-CD1 4.45Å; L146-L148 HydrophobicContact CB-CD2 4.41Å
149	C	98.6	Very high	97.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	119	-177.1	-61.7	0	0	0	0	109.6	I152 Y177 L178 S179	C149-I152 HydrophobicContact CB-CD1 3.48Å; C149-I152 VanDerWaalsContact CB-CD1 3.48Å; C149-I152 HydrophobicContact CB-CG1 3.88Å; C149-I152 VanDerWaalsContact SG-CD1 3.56Å; C149-Y177 PolarHBondContact N-O 3.47Å; C149-L178 HydrophobicContact CB-CB 4.15Å; C149-L178 HydrophobicContact CB-CD2 3.88Å; C149-L178 HydrophobicContact CB-CG 3.82Å; C149-L178 CarbonylContact O-C 3.56Å; C149-L178 VanDerWaalsContact O-CA 3.32Å; C149-L178 WeakPolarHBondContact O-CA 3.4Å; C149-S179 PolarHBondContact O-N 3.24Å
150	A	98.5	Very high	97.8	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.8	-179.9	0	0	0	0	0	112.4	A56 L59 V85 I152	A56-A150 HydrophobicContact CB-CB 3.83Å; L59-A150 HydrophobicContact CD2-CB 4.43Å; V85-A150 HydrophobicContact CG2-CB 4.06Å; A150-I152 WeakPolarHBondContact O-CG2 3.48Å; A150-I152 PolarHBondContact O-N 2.79Å
151	D	97.5	Very high	97.8	Very high	12 Å²	12	37 Å²	37	6%	0.064	20%	0.2	C	C	.	.	S	Bend	trans	52.4	26.6	-175.3	-136.6	17.6	0	0	0	116.1	W53 A55 V153 Y154 S179 K181 R183	W53-D151 HydrophobicContact CB-CB 3.85Å; W53-D151 HydrophobicContact CG-CB 4.1Å; A55-D151 HydrophobicContact CB-CB 3.75Å; D151-V153 VanDerWaalsContact C-N 3.34Å; D151-V153 PolarHBondContact O-N 3.26Å; D151-Y154 WeakPolarHBondContact O-CD1 3.49Å; D151-S179 PolarHBondContact N-O 3.15Å; D151-K181 PolarHBondContact OD1-N 2.92Å; D151-R183 IonicContact OD1-CZ 3.88Å; D151-R183 IonicContact OD1-NH1 2.96Å; D151-R183 PolarHBondContact OD1-NH1 2.93Å; D151-R183 IonicContact OD1-NH2 3.84Å; D151-R183 IonicContact OD2-CZ 3.63Å; D151-R183 IonicContact OD2-NH1 3.31Å; D151-R183 PolarHBondContact OD2-NH1 3.37Å; D151-R183 IonicContact OD2-NH2 2.94Å; D151-R183 PolarHBondContact OD2-NH2 2.76Å
152	I	98.2	Very high	97.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	18%	0.181	C	C	.	.			trans	-84.3	-4.5	-178.4	68.6	168.8	0	0	0	114.7	L78 W133 C149 A150 Y154 L162	L78-I152 HydrophobicContact CB-CD1 4.2Å; L78-I152 WeakPolarHBondContact O-CG2 3.25Å; W133-I152 HydrophobicContact CH2-CB 3.67Å; W133-I152 HydrophobicContact CH2-CD1 4.23Å; W133-I152 HydrophobicContact CH2-CG1 4.37Å; W133-I152 HydrophobicContact CH2-CG2 4.32Å; W133-I152 HydrophobicContact CZ2-CB 3.94Å; W133-I152 HydrophobicContact CZ2-CD1 3.91Å; W133-I152 HydrophobicContact CZ2-CG1 4.48Å; W133-I152 HydrophobicContact CZ2-CG2 4.21Å; C149-I152 HydrophobicContact CB-CD1 3.48Å; C149-I152 VanDerWaalsContact CB-CD1 3.48Å; C149-I152 HydrophobicContact CB-CG1 3.88Å; C149-I152 VanDerWaalsContact SG-CD1 3.56Å; A150-I152 WeakPolarHBondContact O-CG2 3.48Å; A150-I152 PolarHBondContact O-N 2.79Å; I152-Y154 PolarHBondContact O-N 2.79Å; I152-L162 HydrophobicContact CD1-CD1 3.81Å; I152-L162 HydrophobicContact CD1-CD2 3.77Å; I152-L162 HydrophobicContact CD1-CG 4.47Å; I152-L162 HydrophobicContact CG1-CD2 4.11Å
153	V	98.3	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.			trans	-98.2	76.9	-176	-174.8	0	0	0	0	110	D151 Y159 L162 T188 F191	D151-V153 VanDerWaalsContact C-N 3.34Å; D151-V153 PolarHBondContact O-N 3.26Å; V153-Y159 HydrophobicContact CB-CE1 4.45Å; V153-Y159 HydrophobicContact CG1-CD1 4.48Å; V153-Y159 HydrophobicContact CG1-CE1 3.59Å; V153-Y159 WeakPolarHBondContact CG1-OH 3.39Å; V153-L162 HydrophobicContact CG2-CD2 4.44Å; V153-T188 HydrophobicContact CB-CG2 4.34Å; V153-T188 HydrophobicContact CG1-CG2 3.94Å; V153-T188 PolarHBondContact O-OG1 3.19Å; V153-F191 HydrophobicContact CB-CD1 4.33Å; V153-F191 HydrophobicContact CG1-CB 3.44Å; V153-F191 VanDerWaalsContact CG1-CB 3.44Å; V153-F191 HydrophobicContact CG1-CD1 3.61Å; V153-F191 HydrophobicContact CG1-CD2 4.2Å; V153-F191 HydrophobicContact CG1-CE1 4.44Å; V153-F191 HydrophobicContact CG1-CG 3.47Å; V153-F191 VanDerWaalsContact CG1-CG 3.47Å; V153-F191 HydrophobicContact CG2-CD1 3.66Å; V153-F191 HydrophobicContact CG2-CE1 3.69Å; V153-F191 HydrophobicContact CG2-CG 4.18Å; V153-F191 HydrophobicContact CG2-CZ 4.22Å
154	Y	96.9	Very high	98.3	Very high	70 Å²	70	33.5 Å²	33.5	28%	0.275	17%	0.174	S	C	.	.			trans	-138.8	-14.1	-177.2	70.3	-81.8	0	0	0	115.7	V48 D151 I152 H186	V48-Y154 HydrophobicContact CG2-CE2 4.07Å; V48-Y154 WeakPolarHBondContact CG2-OH 3.3Å; D151-Y154 WeakPolarHBondContact O-CD1 3.49Å; I152-Y154 PolarHBondContact O-N 2.79Å; Y154-H186 WeakPolarHBondContact O-CB 3.49Å; Y154-H186 VanDerWaalsContact O-CG 3.3Å; Y154-H186 PolarHBondContact O-ND1 3.21Å
155	L	97.2	Very high	98.3	Very high	73 Å²	73	32.9 Å²	32.9	38%	0.382	17%	0.171	S	C	.	.			trans	-114.1	102.9	176	-65	174.2	0	0	0	110.3	E157 T158 Y159	L155-E157 PolarHBondContact O-N 3.27Å; L155-E157 VanDerWaalsContact O-N 3.1Å; L155-T158 HydrophobicContact CB-CG2 3.92Å; L155-T158 HydrophobicContact CD1-CG2 4.3Å; L155-T158 PolarHBondContact O-N 3.42Å; L155-T158 PolarHBondContact O-OG1 3.18Å; L155-Y159 VanDerWaalsContact O-CD1 3.29Å; L155-Y159 WeakPolarHBondContact O-CD1 3.47Å; L155-Y159 WeakPolarHBondContact O-CE1 3.33Å
156	P	97.6	Very high	98.3	Very high	33 Å²	33	30.2 Å²	30.2	21%	0.214	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-54.1	-31.4	-178.1	-28	35.7	0	0	0	114.8	T158 Y159	P156-T158 PolarHBondContact O-N 3.07Å; P156-Y159 HydrophobicContact CB-CD2 4.39Å; P156-Y159 HydrophobicContact CB-CE2 4.16Å; P156-Y159 HydrophobicContact CG-CE2 4.42Å; P156-Y159 WeakPolarHBondContact O-CB 3.5Å; P156-Y159 PolarHBondContact O-N 3.4Å
157	E	97.8	Very high	98.3	Very high	147 Å²	147	29.9 Å²	29.9	69%	0.687	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-65.6	-25.7	-179.4	-58	71.4	-152.2	0	0	111.9	L155	L155-E157 PolarHBondContact O-N 3.27Å; L155-E157 VanDerWaalsContact O-N 3.1Å
158	T	98.1	Very high	98.2	Very high	30 Å²	30	31.8 Å²	31.8	18%	0.184	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-91.7	-7.3	-179.6	72.6	0	0	0	0	113.3	L155 P156 L161 L162	L155-T158 HydrophobicContact CB-CG2 3.92Å; L155-T158 HydrophobicContact CD1-CG2 4.3Å; L155-T158 PolarHBondContact O-N 3.42Å; L155-T158 PolarHBondContact O-OG1 3.18Å; P156-T158 PolarHBondContact O-N 3.07Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 2.87Å; T158-L161 VanDerWaalsContact O-N 3.09Å; T158-L162 PolarHBondContact O-N 2.91Å
159	Y	98.5	Very high	98.2	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-45.8	-175.8	-68	-6.3	0	0	0	113.9	V153 L155 P156 L161 L162 V163 H186 F191 H195	V153-Y159 HydrophobicContact CB-CE1 4.45Å; V153-Y159 HydrophobicContact CG1-CD1 4.48Å; V153-Y159 HydrophobicContact CG1-CE1 3.59Å; V153-Y159 WeakPolarHBondContact CG1-OH 3.39Å; L155-Y159 VanDerWaalsContact O-CD1 3.29Å; L155-Y159 WeakPolarHBondContact O-CD1 3.47Å; L155-Y159 WeakPolarHBondContact O-CE1 3.33Å; P156-Y159 HydrophobicContact CB-CD2 4.39Å; P156-Y159 HydrophobicContact CB-CE2 4.16Å; P156-Y159 HydrophobicContact CG-CE2 4.42Å; P156-Y159 WeakPolarHBondContact O-CB 3.5Å; P156-Y159 PolarHBondContact O-N 3.4Å; Y159-L161 VanDerWaalsContact C-N 3.32Å; Y159-L161 PolarHBondContact O-N 3.32Å; Y159-L162 PolarHBondContact O-N 3.34Å; Y159-V163 WeakPolarHBondContact O-CG2 3.29Å; Y159-V163 PolarHBondContact O-N 3.16Å; Y159-H186 PolarHBondContact OH-O 3.01Å; Y159-F191 HydrophobicContact CD1-CB 4.45Å; Y159-F191 AromaticContact CD1-CD2 3.69Å; Y159-F191 HydrophobicContact CD1-CD2 3.69Å; Y159-F191 HydrophobicContact CD1-CE2 4.4Å; Y159-F191 HydrophobicContact CD1-CG 4.38Å; Y159-F191 HydrophobicContact CD2-CB 3.82Å; Y159-F191 HydrophobicContact CD2-CD2 4.05Å; Y159-F191 HydrophobicContact CD2-CG 4.43Å; Y159-F191 HydrophobicContact CE1-CB 4.32Å; Y159-F191 HydrophobicContact CE1-CD2 4.22Å; Y159-F191 HydrophobicContact CE1-CG 4.49Å; Y159-F191 HydrophobicContact CE2-CB 3.68Å; Y159-F191 HydrophobicContact CG-CB 4.22Å; Y159-F191 AromaticContact CG-CD2 3.59Å; Y159-F191 HydrophobicContact CG-CD2 3.59Å; Y159-F191 HydrophobicContact CG-CE2 4.48Å; Y159-F191 HydrophobicContact CG-CG 4.34Å; Y159-H195 AromaticContact CD2-CD2 3.93Å
160	P	98.5	Very high	98.2	Very high	70 Å²	70	31.7 Å²	31.7	46%	0.455	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-40.9	175.2	-22.6	35.4	0	0	0	112.6	V163 E164	P160-V163 PolarHBondContact O-N 3.47Å; P160-E164 WeakPolarHBondContact O-CB 3.32Å; P160-E164 PolarHBondContact O-N 2.93Å
161	L	98.7	Very high	98	Very high	66 Å²	66	37.6 Å²	37.6	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-66	-39.8	-179.5	-54	177.4	0	0	0	111.8	W133 G134 T158 Y159 E164 T165	W133-L161 HydrophobicContact CB-CB 4.17Å; G134-L161 PolarHBondContact N-O 3.36Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 2.87Å; T158-L161 VanDerWaalsContact O-N 3.09Å; Y159-L161 VanDerWaalsContact C-N 3.32Å; Y159-L161 PolarHBondContact O-N 3.32Å; L161-E164 PolarHBondContact O-N 2.96Å; L161-T165 WeakPolarHBondContact O-CB 3.25Å; L161-T165 PolarHBondContact O-N 2.87Å; L161-T165 PolarHBondContact O-OG1 3.06Å
162	L	98.8	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-43.8	174.8	178.8	57.8	0	0	0	111.2	L78 W133 I152 V153 T158 Y159 E164 T165 L166 F191	L78-L162 HydrophobicContact CD1-CD1 3.93Å; W133-L162 HydrophobicContact CD2-CB 4.35Å; W133-L162 HydrophobicContact CD2-CD1 3.95Å; W133-L162 HydrophobicContact CE3-CB 4.06Å; W133-L162 HydrophobicContact CE3-CD1 4.3Å; W133-L162 HydrophobicContact CG-CD1 4.25Å; I152-L162 HydrophobicContact CD1-CD1 3.81Å; I152-L162 HydrophobicContact CD1-CD2 3.77Å; I152-L162 HydrophobicContact CD1-CG 4.47Å; I152-L162 HydrophobicContact CG1-CD2 4.11Å; V153-L162 HydrophobicContact CG2-CD2 4.44Å; T158-L162 PolarHBondContact O-N 2.91Å; Y159-L162 PolarHBondContact O-N 3.34Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.08Å; L162-T165 WeakPolarHBondContact O-CB 3.36Å; L162-T165 PolarHBondContact O-N 2.95Å; L162-L166 HydrophobicContact CD1-CD1 4.3Å; L162-L166 HydrophobicContact CD1-CG 4.18Å; L162-L166 HydrophobicContact CG-CD1 4.18Å; L162-L166 HydrophobicContact CG-CG 4.49Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.28Å; L162-L166 PolarHBondContact O-N 2.92Å; L162-F191 HydrophobicContact CB-CE2 4.43Å; L162-F191 HydrophobicContact CD2-CE2 3.75Å; L162-F191 HydrophobicContact CD2-CZ 3.67Å; L162-F191 HydrophobicContact CG-CE2 4.19Å; L162-F191 HydrophobicContact CG-CZ 4.17Å
163	V	98.6	Very high	97.7	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-40	176.8	171.4	0	0	0	0	111.6	Y159 P160 L166 A167 F191 H195 L196 R199	Y159-V163 WeakPolarHBondContact O-CG2 3.29Å; Y159-V163 PolarHBondContact O-N 3.16Å; P160-V163 PolarHBondContact O-N 3.47Å; V163-L166 PolarHBondContact O-N 3.49Å; V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.21Å; V163-A167 PolarHBondContact O-N 3.34Å; V163-F191 HydrophobicContact CG2-CE2 3.95Å; V163-F191 HydrophobicContact CG2-CZ 4.47Å; V163-H195 HydrophobicContact CG2-CB 3.96Å; V163-L196 HydrophobicContact CG2-CD1 4.46Å; V163-R199 HydrophobicContact CG1-CB 4.37Å; V163-R199 HydrophobicContact CG1-CG 4.29Å
164	E	98.4	Very high	97.7	Very high	90 Å²	90	44.5 Å²	44.5	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-47.7	174.4	-178.6	172	-161.7	0	0	111.8	P160 L161 L162 L166 A167 H168	P160-E164 WeakPolarHBondContact O-CB 3.32Å; P160-E164 PolarHBondContact O-N 2.93Å; L161-E164 PolarHBondContact O-N 2.96Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.08Å; E164-L166 PolarHBondContact O-N 2.92Å; E164-A167 PolarHBondContact O-N 2.83Å; E164-A167 VanDerWaalsContact O-N 3.14Å; E164-H168 PolarHBondContact O-N 3Å; E164-H168 VanDerWaalsContact O-N 3.09Å
165	T	98.8	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-51.3	175.8	-59.6	0	0	0	0	111.4	L78 L131 W133 G134 H137 L161 L162 A167 H168 L169	L78-T165 HydrophobicContact CD1-CG2 3.92Å; L78-T165 HydrophobicContact CD2-CG2 4.19Å; L131-T165 HydrophobicContact CD2-CG2 4Å; W133-T165 VanDerWaalsContact CA-OG1 3.3Å; W133-T165 WeakPolarHBondContact CA-OG1 3.43Å; W133-T165 WeakPolarHBondContact CB-OG1 3.47Å; G134-T165 PolarHBondContact N-OG1 2.92Å; H137-T165 HydrophobicContact CB-CG2 3.79Å; L161-T165 WeakPolarHBondContact O-CB 3.25Å; L161-T165 PolarHBondContact O-N 2.87Å; L161-T165 PolarHBondContact O-OG1 3.06Å; L162-T165 WeakPolarHBondContact O-CB 3.36Å; L162-T165 PolarHBondContact O-N 2.95Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 2.67Å; T165-H168 PolarHBondContact O-N 3.48Å; T165-L169 HydrophobicContact CG2-CD1 3.83Å; T165-L169 HydrophobicContact CG2-CG 4.46Å; T165-L169 WeakPolarHBondContact O-CG 3.39Å; T165-L169 PolarHBondContact O-N 3.38Å
166	L	98.7	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-41.6	177.3	-69.6	173.4	0	0	0	111.2	L78 V147 L162 V163 E164 H168 L169 C170 V176 L178 L196 F200	L78-L166 HydrophobicContact CD1-CD2 3.72Å; L78-L166 HydrophobicContact CD1-CG 4.39Å; V147-L166 HydrophobicContact CB-CD2 4.4Å; V147-L166 HydrophobicContact CG1-CD2 3.64Å; L162-L166 HydrophobicContact CD1-CD1 4.3Å; L162-L166 HydrophobicContact CD1-CG 4.18Å; L162-L166 HydrophobicContact CG-CD1 4.18Å; L162-L166 HydrophobicContact CG-CG 4.49Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.28Å; L162-L166 PolarHBondContact O-N 2.92Å; V163-L166 PolarHBondContact O-N 3.49Å; E164-L166 PolarHBondContact O-N 2.92Å; L166-H168 VanDerWaalsContact C-N 3.29Å; L166-H168 PolarHBondContact O-N 3.43Å; L166-L169 PolarHBondContact O-N 2.84Å; L166-C170 VanDerWaalsContact O-CB 3.26Å; L166-C170 WeakPolarHBondContact O-CB 3.5Å; L166-C170 PolarHBondContact O-N 3.33Å; L166-C170 PolarHBondContact O-SG 3.48Å; L166-V176 HydrophobicContact CD2-CG1 3.82Å; L166-V176 HydrophobicContact CD2-CG2 4.15Å; L166-L178 HydrophobicContact CD1-CD2 4.42Å; L166-L196 HydrophobicContact CD1-CD1 3.76Å; L166-F200 HydrophobicContact CB-CE1 4.45Å; L166-F200 HydrophobicContact CB-CE2 4.05Å; L166-F200 HydrophobicContact CB-CZ 3.64Å
167	A	98	Very high	97.9	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-33.2	-177.5	0	0	0	0	0	112.7	V163 E164 T165 F200	V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.21Å; V163-A167 PolarHBondContact O-N 3.34Å; E164-A167 PolarHBondContact O-N 2.83Å; E164-A167 VanDerWaalsContact O-N 3.14Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 2.67Å; A167-F200 HydrophobicContact CB-CE2 4.28Å; A167-F200 HydrophobicContact CB-CZ 4.34Å
168	H	98.2	Very high	97.9	Very high	39 Å²	39	31.4 Å²	31.4	18%	0.181	18%	0.176	C	C	.	.	H	α-helix	trans	-71	-52.3	171.8	173.6	75.3	0	0	0	111.7	H137 F140 S142 E164 T165 L166 C170 K171	H137-H168 AromaticContact CD2-CG 3.91Å; H137-H168 PolarHBondContact O-CD2 3.16Å; H137-H168 PolarHBondContact O-NE2 2.74Å; F140-H168 PolarHBondContact O-NE2 2.83Å; S142-H168 VanDerWaalsContact CB-O 3.27Å; S142-H168 WeakPolarHBondContact CB-O 3.5Å; E164-H168 PolarHBondContact O-N 3Å; E164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 3.48Å; L166-H168 VanDerWaalsContact C-N 3.29Å; L166-H168 PolarHBondContact O-N 3.43Å; H168-C170 PolarHBondContact O-N 3.2Å; H168-K171 VanDerWaalsContact O-CB 3.25Å; H168-K171 WeakPolarHBondContact O-CB 3.46Å; H168-K171 PolarHBondContact O-N 2.66Å; H168-K171 VanDerWaalsContact O-N 3.1Å
169	L	98.4	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-31.2	-177	-63.9	173.9	0	0	0	112.3	I76 L78 F140 V147 T165 L166	I76-L169 HydrophobicContact CD1-CD1 4.17Å; I76-L169 HydrophobicContact CD1-CD2 4.03Å; I76-L169 HydrophobicContact CG2-CD1 4.18Å; L78-L169 HydrophobicContact CD1-CD1 4.08Å; L78-L169 HydrophobicContact CD2-CD1 3.9Å; L78-L169 HydrophobicContact CG-CD1 4.33Å; F140-L169 HydrophobicContact CB-CD2 3.91Å; V147-L169 HydrophobicContact CG1-CD1 4.46Å; V147-L169 HydrophobicContact CG2-CB 4.08Å; T165-L169 HydrophobicContact CG2-CD1 3.83Å; T165-L169 HydrophobicContact CG2-CG 4.46Å; T165-L169 WeakPolarHBondContact O-CG 3.39Å; T165-L169 PolarHBondContact O-N 3.38Å; L166-L169 PolarHBondContact O-N 2.84Å
170	C	97.8	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.007	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.6	179.9	-54.1	0	0	0	0	114	L166 H168 N172 G173 A174 V176 F200 K220	L166-C170 VanDerWaalsContact O-CB 3.26Å; L166-C170 WeakPolarHBondContact O-CB 3.5Å; L166-C170 PolarHBondContact O-N 3.33Å; L166-C170 PolarHBondContact O-SG 3.48Å; H168-C170 PolarHBondContact O-N 3.2Å; C170-N172 PolarHBondContact O-N 3.4Å; C170-N172 VanDerWaalsContact O-N 3.14Å; C170-G173 PolarHBondContact O-N 2.57Å; C170-A174 HydrophobicContact CB-CB 4.16Å; C170-V176 WeakPolarHBondContact SG-CG2 3.44Å; C170-F200 HydrophobicContact CB-CE1 3.96Å; C170-F200 HydrophobicContact CB-CZ 4.38Å; C170-K220 HydrophobicContact CB-CB 4.09Å
171	K	94.4	Very high	97.9	Very high	137 Å²	137	30.1 Å²	30.1	60%	0.596	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-34.7	-175.5	-174.4	178.4	-179.9	178.1	0	113.3	H168	H168-K171 VanDerWaalsContact O-CB 3.25Å; H168-K171 WeakPolarHBondContact O-CB 3.46Å; H168-K171 PolarHBondContact O-N 2.66Å; H168-K171 VanDerWaalsContact O-N 3.1Å
172	N	94.6	Very high	97.8	Very high	103 Å²	103	28.3 Å²	28.3	55%	0.551	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	25.4	-179.7	-54.4	-47.9	0	0	0	113.5	S142 C170	S142-N172 VanDerWaalsContact C-ND2 3.35Å; S142-N172 WeakPolarHBondContact O-CB 3.5Å; S142-N172 PolarHBondContact O-ND2 3.37Å; S142-N172 PolarHBondContact OG-ND2 3.38Å; S142-N172 VanDerWaalsContact OG-ND2 3.1Å; C170-N172 PolarHBondContact O-N 3.4Å; C170-N172 VanDerWaalsContact O-N 3.14Å
173	G	95.4	Very high	97.7	Very high	60 Å²	60	30.8 Å²	30.8	62%	0.619	16%	0.161	S	C	*	.			trans	94.5	18.7	169.8	0	0	0	0	0	116	C170	C170-G173 PolarHBondContact O-N 2.57Å
174	A	97.9	Very high	97.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-56.9	144.1	172.1	0	0	0	0	0	111.3	W144 D145 V147 C170	W144-A174 HydrophobicContact CB-CB 4.06Å; W144-A174 WeakPolarHBondContact O-CA 3.29Å; W144-A174 WeakPolarHBondContact O-CB 3.42Å; D145-A174 WeakPolarHBondContact O-CA 3.44Å; V147-A174 HydrophobicContact CG2-CB 4.22Å; C170-A174 HydrophobicContact CB-CB 4.16Å
175	V	98.3	Very high	97.5	Very high	25 Å²	25	43.6 Å²	43.6	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.3	173.3	176.7	0	0	0	0	109.5	D145 L146 V147 Y177 R217	D145-V175 PolarHBondContact O-N 2.93Å; L146-V175 VanDerWaalsContact CA-O 3.29Å; L146-V175 WeakPolarHBondContact CA-O 3.37Å; L146-V175 HydrophobicContact CD2-CB 3.98Å; V147-V175 PolarHBondContact N-O 3.5Å; V175-Y177 HydrophobicContact CG1-CD2 4.39Å; V175-Y177 HydrophobicContact CG1-CE2 3.99Å; V175-R217 HydrophobicContact CG1-CG 3.68Å
176	V	98.8	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.8	177	-164.8	0	0	0	0	109.7	V147 L166 C170 L178 F200 R217 A218	V147-V176 HydrophobicContact CB-CB 4.48Å; V147-V176 HydrophobicContact CB-CG1 4.15Å; V147-V176 HydrophobicContact CB-CG2 4.22Å; V147-V176 HydrophobicContact CG1-CG1 4.36Å; V147-V176 CarbonylContact O-C 3.56Å; V147-V176 WeakPolarHBondContact O-CA 3.38Å; L166-V176 HydrophobicContact CD2-CG1 3.82Å; L166-V176 HydrophobicContact CD2-CG2 4.15Å; C170-V176 WeakPolarHBondContact SG-CG2 3.44Å; V176-L178 HydrophobicContact CB-CD1 4.03Å; V176-L178 HydrophobicContact CG1-CD1 3.47Å; V176-L178 VanDerWaalsContact CG1-CD1 3.47Å; V176-L178 HydrophobicContact CG1-CD2 4.39Å; V176-L178 HydrophobicContact CG1-CG 3.74Å; V176-F200 HydrophobicContact CG2-CE1 4.12Å; V176-R217 CarbonylContact O-C 3.58Å; V176-R217 VanDerWaalsContact O-CA 3.32Å; V176-R217 WeakPolarHBondContact O-CA 3.45Å; V176-A218 HydrophobicContact CB-CB 4.21Å; V176-A218 PolarHBondContact N-O 2.96Å; V176-A218 PolarHBondContact O-N 3.07Å
177	Y	98.9	Very high	97.2	Very high	24 Å²	24	54.1 Å²	54.1	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.5	163.8	-75.8	-82.5	0	0	0	109.9	Y62 F63 L146 V147 C149 V175 I215 Y216 R217	Y62-Y177 HydrophobicContact CE1-CD1 4.01Å; Y62-Y177 AromaticContact CE1-CE1 3.62Å; Y62-Y177 HydrophobicContact CE1-CE1 3.62Å; F63-Y177 HydrophobicContact CE1-CD1 4.1Å; F63-Y177 AromaticContact CE1-CD2 3.95Å; F63-Y177 HydrophobicContact CE1-CD2 3.95Å; F63-Y177 HydrophobicContact CE1-CE1 4.45Å; F63-Y177 HydrophobicContact CE1-CE2 4.31Å; F63-Y177 AromaticContact CE1-CG 3.83Å; F63-Y177 HydrophobicContact CE1-CG 3.83Å; F63-Y177 HydrophobicContact CZ-CD2 4.18Å; F63-Y177 HydrophobicContact CZ-CG 4.13Å; L146-Y177 HydrophobicContact CD2-CD2 4.31Å; L146-Y177 HydrophobicContact CD2-CE2 4.09Å; V147-Y177 PolarHBondContact O-N 3.06Å; C149-Y177 PolarHBondContact N-O 3.47Å; V175-Y177 HydrophobicContact CG1-CD2 4.39Å; V175-Y177 HydrophobicContact CG1-CE2 3.99Å; Y177-I215 HydrophobicContact CD1-CG2 4.37Å; Y177-Y216 WeakPolarHBondContact CA-O 3.19Å; Y177-R217 HydrophobicContact CD1-CB 4.36Å; Y177-R217 HydrophobicContact CE1-CB 4.08Å; Y177-R217 HydrophobicContact CE1-CG 4.11Å
178	L	98.8	Very high	97.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.8	178	-52.6	100.4	0	0	0	110.5	C149 L166 V176 F191 Y192 L196 I215 Y216 A218	C149-L178 HydrophobicContact CB-CB 4.15Å; C149-L178 HydrophobicContact CB-CD2 3.88Å; C149-L178 HydrophobicContact CB-CG 3.82Å; C149-L178 CarbonylContact O-C 3.56Å; C149-L178 VanDerWaalsContact O-CA 3.32Å; C149-L178 WeakPolarHBondContact O-CA 3.4Å; L166-L178 HydrophobicContact CD1-CD2 4.42Å; V176-L178 HydrophobicContact CB-CD1 4.03Å; V176-L178 HydrophobicContact CG1-CD1 3.47Å; V176-L178 VanDerWaalsContact CG1-CD1 3.47Å; V176-L178 HydrophobicContact CG1-CD2 4.39Å; V176-L178 HydrophobicContact CG1-CG 3.74Å; L178-F191 HydrophobicContact CD2-CE1 3.85Å; L178-F191 HydrophobicContact CD2-CZ 4.24Å; L178-Y192 HydrophobicContact CB-CE1 3.92Å; L178-Y192 WeakPolarHBondContact CB-OH 3.48Å; L178-Y192 HydrophobicContact CD1-CE1 4.41Å; L178-Y192 HydrophobicContact CD2-CE1 4.23Å; L178-Y192 HydrophobicContact CG-CE1 4.43Å; L178-L196 HydrophobicContact CD1-CD2 3.89Å; L178-I215 CarbonylContact O-C 3.53Å; L178-I215 VanDerWaalsContact O-CA 3.29Å; L178-I215 WeakPolarHBondContact O-CA 3.24Å; L178-Y216 PolarHBondContact N-O 2.9Å; L178-Y216 PolarHBondContact O-N 2.8Å; L178-A218 HydrophobicContact CD1-CB 4.36Å
179	S	98.6	Very high	97.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.6	170.6	-175.4	0	0	0	0	109.5	A55 C149 D151 N213 N214	A55-S179 WeakPolarHBondContact O-CB 3.49Å; A55-S179 PolarHBondContact O-OG 2.89Å; C149-S179 PolarHBondContact O-N 3.24Å; D151-S179 PolarHBondContact N-O 3.15Å; S179-N213 PolarHBondContact OG-ND2 3.31Å; S179-N214 WeakPolarHBondContact CA-O 3.1Å
180	S	98.1	Very high	97	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.7	-179.7	-64.7	0	0	0	0	112.6	M182 Y192 N213 N214	S180-M182 PolarHBondContact O-N 3.17Å; S180-Y192 WeakPolarHBondContact CB-OH 3.37Å; S180-Y192 PolarHBondContact OG-OH 3.43Å; S180-N213 WeakPolarHBondContact O-CA 3.21Å; S180-N213 PolarHBondContact O-OD1 3.15Å; S180-N214 PolarHBondContact N-O 3.32Å; S180-N214 PolarHBondContact O-N 3.41Å
181	K	97.6	Very high	97.1	Very high	73 Å²	73	58.2 Å²	58.2	32%	0.317	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.5	162.9	-176.8	83.7	175.2	-158.9	0	108.2	D151 R183 Q211 N213	D151-K181 PolarHBondContact OD1-N 2.92Å; K181-R183 HydrophobicContact CG-CG 4.02Å; K181-R183 PolarHBondContact O-N 2.9Å; K181-R183 VanDerWaalsContact O-N 3.15Å; K181-Q211 WeakPolarHBondContact CD-O 3.35Å; K181-Q211 WeakPolarHBondContact CE-O 3.43Å; K181-Q211 PolarHBondContact NZ-O 2.96Å; K181-N213 PolarHBondContact N-OD1 2.94Å; K181-N213 VanDerWaalsContact N-OD1 3.1Å
182	M	97.3	Very high	97.3	Very high	28 Å²	28	51.8 Å²	51.8	14%	0.138	24%	0.244	C	C	.	.			trans	-80.3	102.2	-175.4	-56.7	-55.4	-63	0	0	110.5	S180 T188 Q189 Y192 N212 N214 Y216	S180-M182 PolarHBondContact O-N 3.17Å; M182-T188 HydrophobicContact CE-CG2 3.88Å; M182-T188 HydrophobicContact SD-CG2 3.8Å; M182-Q189 HydrophobicContact CE-CB 4.24Å; M182-Y192 HydrophobicContact CE-CD2 4.24Å; M182-Y192 HydrophobicContact SD-CE2 4.4Å; M182-N212 PolarHBondContact N-O 3.15Å; M182-N212 PolarHBondContact O-ND2 3.28Å; M182-N214 HydrophobicContact CG-CB 4.16Å; M182-N214 WeakPolarHBondContact CG-ND2 3.2Å; M182-N214 HydrophobicContact SD-CB 3.89Å; M182-Y216 HydrophobicContact SD-CE2 4.16Å
183	R	96.3	Very high	97.4	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.196	24%	0.244	C	C	.	.			trans	-113.8	130.8	-177.6	-60	-174.3	-167.5	92.4	-9.8	110.4	D151 K181 E185 H186 R187 T188	D151-R183 IonicContact OD1-CZ 3.88Å; D151-R183 IonicContact OD1-NH1 2.96Å; D151-R183 PolarHBondContact OD1-NH1 2.93Å; D151-R183 IonicContact OD1-NH2 3.84Å; D151-R183 IonicContact OD2-CZ 3.63Å; D151-R183 IonicContact OD2-NH1 3.31Å; D151-R183 PolarHBondContact OD2-NH1 3.37Å; D151-R183 IonicContact OD2-NH2 2.94Å; D151-R183 PolarHBondContact OD2-NH2 2.76Å; K181-R183 HydrophobicContact CG-CG 4.02Å; K181-R183 PolarHBondContact O-N 2.9Å; K181-R183 VanDerWaalsContact O-N 3.15Å; R183-E185 HydrophobicContact CB-CG 4.33Å; R183-H186 HydrophobicContact CB-CB 4.36Å; R183-H186 VanDerWaalsContact CD-CD2 3.45Å; R183-H186 WeakPolarHBondContact CD-CD2 3.34Å; R183-R187 PolarHBondContact O-N 2.84Å; R183-T188 PolarHBondContact N-OG1 3.1Å; R183-T188 PolarHBondContact O-N 2.95Å; R183-T188 PolarHBondContact O-OG1 2.89Å
184	R	95.7	Very high	97.4	Very high	230 Å²	230	56 Å²	56	87%	0.868	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-40.1	-174.8	-172.9	179.4	70.1	120.2	0.4	111.2	H186 R187	R184-H186 PolarHBondContact O-N 2.7Å; R184-R187 PolarHBondContact O-N 2.81Å
185	E	96.1	Very high	97.5	Very high	137 Å²	137	58.8 Å²	58.8	64%	0.64	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-34	175.5	59.1	-87.9	-143.5	0	0	112.5	R183	R183-E185 HydrophobicContact CB-CG 4.33Å
186	H	95.3	Very high	97.5	Very high	53 Å²	53	57.6 Å²	57.6	25%	0.245	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.7	175.8	-53.8	-32.6	0	0	0	113	Y154 Y159 R183 R184 T188	Y154-H186 WeakPolarHBondContact O-CB 3.49Å; Y154-H186 VanDerWaalsContact O-CG 3.3Å; Y154-H186 PolarHBondContact O-ND1 3.21Å; Y159-H186 PolarHBondContact OH-O 3.01Å; R183-H186 HydrophobicContact CB-CB 4.36Å; R183-H186 VanDerWaalsContact CD-CD2 3.45Å; R183-H186 WeakPolarHBondContact CD-CD2 3.34Å; R184-H186 PolarHBondContact O-N 2.7Å; H186-T188 PolarHBondContact O-N 2.9Å; H186-T188 VanDerWaalsContact O-N 3.15Å
187	R	96.8	Very high	97.4	Very high	168 Å²	168	61.1 Å²	61.1	63%	0.634	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.3	-176.3	-46.6	-178.5	-177.3	-173.3	1.4	112.3	R183 R184 Q189 S190 F191	R183-R187 PolarHBondContact O-N 2.84Å; R184-R187 PolarHBondContact O-N 2.81Å; R187-Q189 PolarHBondContact O-N 3.48Å; R187-S190 WeakPolarHBondContact CB-OG 3.33Å; R187-S190 PolarHBondContact O-N 3.31Å; R187-S190 PolarHBondContact O-OG 3.49Å; R187-F191 PolarHBondContact O-N 3.38Å
188	T	96.7	Very high	97.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-35.3	-176.9	-51.9	0	0	0	0	111.6	V153 M182 R183 H186 S190 F191 Y192	V153-T188 HydrophobicContact CB-CG2 4.34Å; V153-T188 HydrophobicContact CG1-CG2 3.94Å; V153-T188 PolarHBondContact O-OG1 3.19Å; M182-T188 HydrophobicContact CE-CG2 3.88Å; M182-T188 HydrophobicContact SD-CG2 3.8Å; R183-T188 PolarHBondContact N-OG1 3.1Å; R183-T188 PolarHBondContact O-N 2.95Å; R183-T188 PolarHBondContact O-OG1 2.89Å; H186-T188 PolarHBondContact O-N 2.9Å; H186-T188 VanDerWaalsContact O-N 3.15Å; T188-S190 PolarHBondContact O-N 3.14Å; T188-F191 WeakPolarHBondContact O-CB 3.29Å; T188-F191 PolarHBondContact O-N 3.05Å; T188-Y192 HydrophobicContact CG2-CD2 4.27Å; T188-Y192 HydrophobicContact CG2-CE2 3.81Å; T188-Y192 WeakPolarHBondContact O-CD2 3.39Å
189	Q	96.9	Very high	97.2	Very high	111 Å²	111	70.1 Å²	70.1	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-36	176.9	-172.3	173.8	35.5	0	0	113.6	M182 R187 Y192 K193	M182-Q189 HydrophobicContact CE-CB 4.24Å; R187-Q189 PolarHBondContact O-N 3.48Å; Q189-Y192 PolarHBondContact O-N 3.2Å; Q189-K193 HydrophobicContact CG-CD 3.87Å; Q189-K193 HydrophobicContact CG-CG 4.32Å; Q189-K193 WeakPolarHBondContact O-CB 3.21Å; Q189-K193 PolarHBondContact O-N 3.05Å
190	S	97.5	Very high	97.2	Very high	20 Å²	20	70.1 Å²	70.1	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-72.2	-32.3	179.7	72.8	0	0	0	0	111.2	R187 T188 Y192 K193 E194 H195	R187-S190 WeakPolarHBondContact CB-OG 3.33Å; R187-S190 PolarHBondContact O-N 3.31Å; R187-S190 PolarHBondContact O-OG 3.49Å; T188-S190 PolarHBondContact O-N 3.14Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 2.92Å; S190-K193 PolarHBondContact O-N 2.9Å; S190-E194 WeakPolarHBondContact O-CA 3.44Å; S190-E194 VanDerWaalsContact O-CB 3.26Å; S190-E194 WeakPolarHBondContact O-CB 3.42Å; S190-E194 PolarHBondContact O-N 3.27Å; S190-H195 PolarHBondContact O-N 2.77Å
191	F	98.6	Very high	97.2	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	33%	0.333	C	S	.	.	I	π-helix	trans	-53.1	-53	170.9	175.5	-98.9	0	0	0	111	V153 Y159 L162 V163 L178 R187 T188 H195 L196	V153-F191 HydrophobicContact CB-CD1 4.33Å; V153-F191 HydrophobicContact CG1-CB 3.44Å; V153-F191 VanDerWaalsContact CG1-CB 3.44Å; V153-F191 HydrophobicContact CG1-CD1 3.61Å; V153-F191 HydrophobicContact CG1-CD2 4.2Å; V153-F191 HydrophobicContact CG1-CE1 4.44Å; V153-F191 HydrophobicContact CG1-CG 3.47Å; V153-F191 VanDerWaalsContact CG1-CG 3.47Å; V153-F191 HydrophobicContact CG2-CD1 3.66Å; V153-F191 HydrophobicContact CG2-CE1 3.69Å; V153-F191 HydrophobicContact CG2-CG 4.18Å; V153-F191 HydrophobicContact CG2-CZ 4.22Å; Y159-F191 HydrophobicContact CD1-CB 4.45Å; Y159-F191 AromaticContact CD1-CD2 3.69Å; Y159-F191 HydrophobicContact CD1-CD2 3.69Å; Y159-F191 HydrophobicContact CD1-CE2 4.4Å; Y159-F191 HydrophobicContact CD1-CG 4.38Å; Y159-F191 HydrophobicContact CD2-CB 3.82Å; Y159-F191 HydrophobicContact CD2-CD2 4.05Å; Y159-F191 HydrophobicContact CD2-CG 4.43Å; Y159-F191 HydrophobicContact CE1-CB 4.32Å; Y159-F191 HydrophobicContact CE1-CD2 4.22Å; Y159-F191 HydrophobicContact CE1-CG 4.49Å; Y159-F191 HydrophobicContact CE2-CB 3.68Å; Y159-F191 HydrophobicContact CG-CB 4.22Å; Y159-F191 AromaticContact CG-CD2 3.59Å; Y159-F191 HydrophobicContact CG-CD2 3.59Å; Y159-F191 HydrophobicContact CG-CE2 4.48Å; Y159-F191 HydrophobicContact CG-CG 4.34Å; L162-F191 HydrophobicContact CB-CE2 4.43Å; L162-F191 HydrophobicContact CD2-CE2 3.75Å; L162-F191 HydrophobicContact CD2-CZ 3.67Å; L162-F191 HydrophobicContact CG-CE2 4.19Å; L162-F191 HydrophobicContact CG-CZ 4.17Å; V163-F191 HydrophobicContact CG2-CE2 3.95Å; V163-F191 HydrophobicContact CG2-CZ 4.47Å; L178-F191 HydrophobicContact CD2-CE1 3.85Å; L178-F191 HydrophobicContact CD2-CZ 4.24Å; R187-F191 PolarHBondContact O-N 3.38Å; T188-F191 WeakPolarHBondContact O-CB 3.29Å; T188-F191 PolarHBondContact O-N 3.05Å; F191-H195 HydrophobicContact CD2-CB 4.2Å; F191-H195 PolarHBondContact O-N 3.1Å; F191-L196 HydrophobicContact CE1-CB 4.15Å; F191-L196 HydrophobicContact CE1-CD2 4.07Å; F191-L196 HydrophobicContact CE1-CG 4.5Å; F191-L196 HydrophobicContact CZ-CB 4.29Å; F191-L196 HydrophobicContact CZ-CD1 4.28Å; F191-L196 WeakPolarHBondContact O-CB 3.3Å; F191-L196 PolarHBondContact O-N 3.29Å
192	Y	98.3	Very high	97.3	Very high	3 Å²	3	72.2 Å²	72.2	1%	0.012	33%	0.326	C	S	.	.	I	π-helix	trans	-70.6	-39.8	-177.2	-68.8	-70.2	0	0	0	113.6	L178 S180 M182 T188 Q189 S190 L196 Q197 V202 Y216	L178-Y192 HydrophobicContact CB-CE1 3.92Å; L178-Y192 WeakPolarHBondContact CB-OH 3.48Å; L178-Y192 HydrophobicContact CD1-CE1 4.41Å; L178-Y192 HydrophobicContact CD2-CE1 4.23Å; L178-Y192 HydrophobicContact CG-CE1 4.43Å; S180-Y192 WeakPolarHBondContact CB-OH 3.37Å; S180-Y192 PolarHBondContact OG-OH 3.43Å; M182-Y192 HydrophobicContact CE-CD2 4.24Å; M182-Y192 HydrophobicContact SD-CE2 4.4Å; T188-Y192 HydrophobicContact CG2-CD2 4.27Å; T188-Y192 HydrophobicContact CG2-CE2 3.81Å; T188-Y192 WeakPolarHBondContact O-CD2 3.39Å; Q189-Y192 PolarHBondContact O-N 3.2Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 2.92Å; Y192-L196 HydrophobicContact CD1-CD2 3.96Å; Y192-L196 HydrophobicContact CE1-CD2 4.28Å; Y192-Q197 VanDerWaalsContact O-CG 3.28Å; Y192-Q197 WeakPolarHBondContact O-CG 3.46Å; Y192-V202 HydrophobicContact CD1-CG1 4.47Å; Y192-Y216 AromaticContact CD1-CD1 3.89Å; Y192-Y216 HydrophobicContact CD1-CD1 3.89Å; Y192-Y216 AromaticContact CD1-CD2 3.53Å; Y192-Y216 HydrophobicContact CD1-CD2 3.53Å; Y192-Y216 HydrophobicContact CD1-CE1 4.19Å; Y192-Y216 AromaticContact CD1-CE2 3.85Å; Y192-Y216 HydrophobicContact CD1-CE2 3.85Å; Y192-Y216 AromaticContact CD1-CG 3.53Å; Y192-Y216 HydrophobicContact CD1-CG 3.53Å; Y192-Y216 HydrophobicContact CD2-CD2 4.02Å; Y192-Y216 AromaticContact CD2-CE2 3.53Å; Y192-Y216 HydrophobicContact CD2-CE2 3.53Å; Y192-Y216 AromaticContact CD2-CZ 3.85Å; Y192-Y216 HydrophobicContact CE1-CD1 4.36Å; Y192-Y216 AromaticContact CE1-CD2 3.24Å; Y192-Y216 HydrophobicContact CE1-CD2 3.24Å; Y192-Y216 AromaticContact CE1-CE2 3.83Å; Y192-Y216 HydrophobicContact CE1-CE2 3.83Å; Y192-Y216 AromaticContact CE1-CG 3.55Å; Y192-Y216 HydrophobicContact CE1-CG 3.55Å; Y192-Y216 AromaticContact CE2-CD2 3.78Å; Y192-Y216 HydrophobicContact CE2-CD2 3.78Å; Y192-Y216 AromaticContact CE2-CE2 3.52Å; Y192-Y216 HydrophobicContact CE2-CE2 3.52Å; Y192-Y216 HydrophobicContact CG-CD1 4.23Å; Y192-Y216 AromaticContact CG-CD2 3.91Å; Y192-Y216 HydrophobicContact CG-CD2 3.91Å; Y192-Y216 HydrophobicContact CG-CE1 4.04Å; Y192-Y216 AromaticContact CG-CE2 3.7Å; Y192-Y216 HydrophobicContact CG-CE2 3.7Å; Y192-Y216 HydrophobicContact CG-CG 4.15Å; Y192-Y216 AromaticContact CG-CZ 3.78Å; Y192-Y216 AromaticContact CZ-CD2 3.37Å; Y192-Y216 AromaticContact CZ-CE2 3.67Å
193	K	97.2	Very high	97.3	Very high	123 Å²	123	75.7 Å²	75.7	54%	0.535	34%	0.342	S	S	.	.	I	π-helix	trans	-87.4	-21	-173.6	-70.3	-171.7	173.4	-179.8	0	115.1	Q189 S190 Q197	Q189-K193 HydrophobicContact CG-CD 3.87Å; Q189-K193 HydrophobicContact CG-CG 4.32Å; Q189-K193 WeakPolarHBondContact O-CB 3.21Å; Q189-K193 PolarHBondContact O-N 3.05Å; S190-K193 PolarHBondContact O-N 2.9Å; K193-Q197 PolarHBondContact O-OE1 3.05Å
194	E	96.9	Very high	97.4	Very high	129 Å²	129	76.9 Å²	76.9	60%	0.603	35%	0.352	S	S	*	.	I	π-helix	trans	-121.9	-58	-172.7	-58.1	167.3	-150.1	0	0	109.8	S190 S198	S190-E194 WeakPolarHBondContact O-CA 3.44Å; S190-E194 VanDerWaalsContact O-CB 3.26Å; S190-E194 WeakPolarHBondContact O-CB 3.42Å; S190-E194 PolarHBondContact O-N 3.27Å; E194-S198 PolarHBondContact O-N 3.11Å
195	H	98.1	Very high	97.6	Very high	58 Å²	58	67.7 Å²	67.7	27%	0.269	32%	0.321	S	S	.	.	I	π-helix	trans	-71.3	-57.4	-174.7	-66.4	-92.4	0	0	0	112.1	Y159 V163 S190 F191 S198	Y159-H195 AromaticContact CD2-CD2 3.93Å; V163-H195 HydrophobicContact CG2-CB 3.96Å; S190-H195 PolarHBondContact O-N 2.77Å; F191-H195 HydrophobicContact CD2-CB 4.2Å; F191-H195 PolarHBondContact O-N 3.1Å; H195-S198 WeakPolarHBondContact O-CB 3.49Å; H195-S198 PolarHBondContact O-N 2.8Å; H195-S198 PolarHBondContact O-OG 3.46Å
196	L	98.4	Very high	97.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-67.2	-43.6	-176.5	-169.8	65	0	0	0	111.1	V163 L166 L178 F191 Y192 S198 R199 F200 V202 A218	V163-L196 HydrophobicContact CG2-CD1 4.46Å; L166-L196 HydrophobicContact CD1-CD1 3.76Å; L178-L196 HydrophobicContact CD1-CD2 3.89Å; F191-L196 HydrophobicContact CE1-CB 4.15Å; F191-L196 HydrophobicContact CE1-CD2 4.07Å; F191-L196 HydrophobicContact CE1-CG 4.5Å; F191-L196 HydrophobicContact CZ-CB 4.29Å; F191-L196 HydrophobicContact CZ-CD1 4.28Å; F191-L196 WeakPolarHBondContact O-CB 3.3Å; F191-L196 PolarHBondContact O-N 3.29Å; Y192-L196 HydrophobicContact CD1-CD2 3.96Å; Y192-L196 HydrophobicContact CE1-CD2 4.28Å; L196-S198 PolarHBondContact O-N 2.84Å; L196-S198 VanDerWaalsContact O-N 3.1Å; L196-R199 PolarHBondContact O-N 3.1Å; L196-R199 VanDerWaalsContact O-N 3.14Å; L196-F200 HydrophobicContact CD1-CB 4.33Å; L196-F200 HydrophobicContact CD1-CD2 3.64Å; L196-F200 HydrophobicContact CD1-CE2 4.13Å; L196-F200 HydrophobicContact CD1-CG 3.96Å; L196-F200 HydrophobicContact CG-CB 4.22Å; L196-F200 HydrophobicContact CG-CD2 4.35Å; L196-F200 HydrophobicContact CG-CG 4.4Å; L196-F200 WeakPolarHBondContact O-CB 3.47Å; L196-F200 PolarHBondContact O-N 3.39Å; L196-V202 HydrophobicContact CB-CG2 4.13Å; L196-V202 HydrophobicContact CD2-CG1 4.09Å; L196-V202 HydrophobicContact CD2-CG2 3.7Å; L196-V202 HydrophobicContact CG-CG2 3.63Å; L196-A218 HydrophobicContact CD2-CB 4.11Å
197	Q	97.5	Very high	97.8	Very high	74 Å²	74	68.9 Å²	68.9	35%	0.346	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.5	-13	176.5	-85.6	-177.4	-8.9	0	0	114.6	Y192 K193 R199 F200 V202 R221	Y192-Q197 VanDerWaalsContact O-CG 3.28Å; Y192-Q197 WeakPolarHBondContact O-CG 3.46Å; K193-Q197 PolarHBondContact O-OE1 3.05Å; Q197-R199 VanDerWaalsContact C-N 3.25Å; Q197-R199 PolarHBondContact O-N 3.17Å; Q197-F200 WeakPolarHBondContact CA-O 3.13Å; Q197-V202 HydrophobicContact CB-CG2 4.5Å; Q197-V202 HydrophobicContact CG-CB 3.81Å; Q197-V202 HydrophobicContact CG-CG2 3.64Å; Q197-R221 PolarHBondContact O-NH1 2.83Å; Q197-R221 PolarHBondContact O-NH2 2.92Å
198	S	96.6	Very high	97.7	Very high	77 Å²	77	62.9 Å²	62.9	54%	0.538	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67	-26.2	173.3	73.9	0	0	0	0	113	E194 H195 L196	E194-S198 PolarHBondContact O-N 3.11Å; H195-S198 WeakPolarHBondContact O-CB 3.49Å; H195-S198 PolarHBondContact O-N 2.8Å; H195-S198 PolarHBondContact O-OG 3.46Å; L196-S198 PolarHBondContact O-N 2.84Å; L196-S198 VanDerWaalsContact O-N 3.1Å
199	R	97.6	Very high	97.5	Very high	135 Å²	135	68.4 Å²	68.4	51%	0.509	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-12.8	-176.8	-66.3	-165	174.4	-161.6	-2.4	114.7	V163 L196 Q197 R221	V163-R199 HydrophobicContact CG1-CB 4.37Å; V163-R199 HydrophobicContact CG1-CG 4.29Å; L196-R199 PolarHBondContact O-N 3.1Å; L196-R199 VanDerWaalsContact O-N 3.14Å; Q197-R199 VanDerWaalsContact C-N 3.25Å; Q197-R199 PolarHBondContact O-N 3.17Å; R199-R221 PolarHBondContact O-N 2.88Å
200	F	98.5	Very high	97.3	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.4	-174.4	-66.7	-102	0	0	0	111.3	L166 A167 C170 V176 L196 Q197 V202 A218 S219 K220 R221	L166-F200 HydrophobicContact CB-CE1 4.45Å; L166-F200 HydrophobicContact CB-CE2 4.05Å; L166-F200 HydrophobicContact CB-CZ 3.64Å; A167-F200 HydrophobicContact CB-CE2 4.28Å; A167-F200 HydrophobicContact CB-CZ 4.34Å; C170-F200 HydrophobicContact CB-CE1 3.96Å; C170-F200 HydrophobicContact CB-CZ 4.38Å; V176-F200 HydrophobicContact CG2-CE1 4.12Å; L196-F200 HydrophobicContact CD1-CB 4.33Å; L196-F200 HydrophobicContact CD1-CD2 3.64Å; L196-F200 HydrophobicContact CD1-CE2 4.13Å; L196-F200 HydrophobicContact CD1-CG 3.96Å; L196-F200 HydrophobicContact CG-CB 4.22Å; L196-F200 HydrophobicContact CG-CD2 4.35Å; L196-F200 HydrophobicContact CG-CG 4.4Å; L196-F200 WeakPolarHBondContact O-CB 3.47Å; L196-F200 PolarHBondContact O-N 3.39Å; Q197-F200 WeakPolarHBondContact CA-O 3.13Å; F200-V202 HydrophobicContact CB-CG2 3.99Å; F200-A218 HydrophobicContact CB-CB 4.14Å; F200-A218 HydrophobicContact CD1-CB 4.14Å; F200-A218 HydrophobicContact CG-CB 4.44Å; F200-S219 CarbonylContact C-O 3.58Å; F200-S219 VanDerWaalsContact CA-O 3.31Å; F200-S219 WeakPolarHBondContact CA-O 3.3Å; F200-S219 VanDerWaalsContact CD1-C 3.45Å; F200-K220 HydrophobicContact CD1-CB 4.16Å; F200-K220 HydrophobicContact CE1-CB 3.84Å; F200-K220 HydrophobicContact CE1-CG 4.4Å; F200-K220 HydrophobicContact CZ-CB 4.36Å; F200-K220 HydrophobicContact CZ-CG 4.46Å; F200-R221 PolarHBondContact O-NH2 3.49Å
201	D	98.2	Very high	97	Very high	92 Å²	92	75 Å²	75	49%	0.492	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.9	156.8	-66.3	-39.7	0	0	0	108	A218 S219 R221	D201-A218 WeakPolarHBondContact O-CA 3.43Å; D201-S219 PolarHBondContact N-O 2.75Å; D201-S219 PolarHBondContact O-N 2.76Å; D201-R221 IonicContact OD1-CZ 3.76Å; D201-R221 IonicContact OD1-NE 2.82Å; D201-R221 PolarHBondContact OD1-NE 2.85Å; D201-R221 IonicContact OD1-NH2 2.69Å; D201-R221 PolarHBondContact OD1-NH2 3.01Å
202	V	98.5	Very high	96.9	Very high	27 Å²	27	78 Å²	78	16%	0.164	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.2	-171	-176	0	0	0	0	109.5	Y192 L196 Q197 F200 Y216 A218	Y192-V202 HydrophobicContact CD1-CG1 4.47Å; L196-V202 HydrophobicContact CB-CG2 4.13Å; L196-V202 HydrophobicContact CD2-CG1 4.09Å; L196-V202 HydrophobicContact CD2-CG2 3.7Å; L196-V202 HydrophobicContact CG-CG2 3.63Å; Q197-V202 HydrophobicContact CB-CG2 4.5Å; Q197-V202 HydrophobicContact CG-CB 3.81Å; Q197-V202 HydrophobicContact CG-CG2 3.64Å; F200-V202 HydrophobicContact CB-CG2 3.99Å; V202-Y216 HydrophobicContact CG1-CD1 3.87Å; V202-Y216 HydrophobicContact CG1-CG 4.47Å; V202-A218 HydrophobicContact CG2-CB 4.26Å
203	E	98.4	Very high	96.8	Very high	101 Å²	101	78 Å²	78	47%	0.472	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.9	-179.6	-176.4	-178.2	-168.9	0	0	109.6	V205 Y216 R217	E203-V205 HydrophobicContact CB-CG1 4.32Å; E203-V205 HydrophobicContact CG-CG1 3.81Å; E203-V205 PolarHBondContact O-N 3.2Å; E203-Y216 CarbonylContact O-C 3.58Å; E203-Y216 WeakPolarHBondContact O-CA 3.45Å; E203-R217 PolarHBondContact N-O 2.83Å; E203-R217 PolarHBondContact O-N 2.79Å; E203-R217 IonicContact OE2-NH1 3.68Å; E203-R217 PolarHBondContact OE2-NH1 3.19Å
204	L	98.4	Very high	96.9	Very high	76 Å²	76	72.4 Å²	72.4	40%	0.398	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.9	168.8	174.8	65.1	0	0	0	108.2	L206 R207 N214 Y216	L204-L206 VanDerWaalsContact CD1-O 3.25Å; L204-L206 WeakPolarHBondContact CD1-O 3.2Å; L204-R207 HydrophobicContact CD2-CB 4.34Å; L204-N214 HydrophobicContact CD1-CB 3.72Å; L204-Y216 HydrophobicContact CB-CD1 4.08Å; L204-Y216 HydrophobicContact CB-CE1 3.9Å; L204-Y216 HydrophobicContact CD1-CD1 4.09Å; L204-Y216 HydrophobicContact CD1-CE1 3.69Å; L204-Y216 HydrophobicContact CD1-CE2 4.18Å; L204-Y216 HydrophobicContact CD1-CG 4.5Å; L204-Y216 HydrophobicContact CG-CE1 4.33Å
205	V	98.3	Very high	97	Very high	38 Å²	38	66.3 Å²	66.3	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-22	-174.5	-65.3	0	0	0	0	113.4	Y62 E203 I215 R217	Y62-V205 HydrophobicContact CE1-CG2 4.3Å; Y62-V205 HydrophobicContact CE2-CB 4.32Å; Y62-V205 HydrophobicContact CE2-CG2 3.99Å; Y62-V205 WeakPolarHBondContact OH-CB 3.2Å; Y62-V205 WeakPolarHBondContact OH-CG2 3.32Å; E203-V205 HydrophobicContact CB-CG1 4.32Å; E203-V205 HydrophobicContact CG-CG1 3.81Å; E203-V205 PolarHBondContact O-N 3.2Å; V205-I215 HydrophobicContact CG2-CB 4.06Å; V205-I215 HydrophobicContact CG2-CG2 3.75Å; V205-I215 VanDerWaalsContact CG2-O 3.23Å; V205-I215 WeakPolarHBondContact CG2-O 3.09Å; V205-I215 PolarHBondContact N-O 2.95Å; V205-R217 HydrophobicContact CG1-CB 3.54Å; V205-R217 HydrophobicContact CG2-CB 4.28Å
206	L	98.1	Very high	97	Very high	65 Å²	65	64.7 Å²	64.7	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.9	171.7	-173.8	71.7	0	0	0	110.4	Y62 L204 N214 I215	Y62-L206 HydrophobicContact CD2-CB 4.03Å; Y62-L206 HydrophobicContact CD2-CD2 4.1Å; Y62-L206 HydrophobicContact CE2-CB 4.16Å; L204-L206 VanDerWaalsContact CD1-O 3.25Å; L204-L206 WeakPolarHBondContact CD1-O 3.2Å; L206-N214 CarbonylContact O-C 3.59Å; L206-N214 WeakPolarHBondContact O-CA 3.27Å; L206-I215 HydrophobicContact CB-CB 3.96Å; L206-I215 HydrophobicContact CB-CD1 4.27Å; L206-I215 HydrophobicContact CB-CG1 4.2Å; L206-I215 HydrophobicContact CD2-CD1 3.71Å; L206-I215 HydrophobicContact CD2-CG1 4.21Å; L206-I215 PolarHBondContact N-O 2.84Å; L206-I215 VanDerWaalsContact N-O 3.15Å; L206-I215 PolarHBondContact O-N 3.27Å
207	R	97.3	Very high	97	Very high	150 Å²	150	68.6 Å²	68.6	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.2	168.6	179.3	172.7	-169.1	145.9	8.9	109.2	L204 D209	L204-R207 HydrophobicContact CD2-CB 4.34Å; R207-D209 IonicContact CZ-OD1 3.68Å; R207-D209 IonicContact NE-OD1 2.8Å; R207-D209 PolarHBondContact NE-OD1 2.81Å; R207-D209 IonicContact NH2-OD1 3.79Å
208	D	95.3	Very high	97	Very high	41 Å²	41	65 Å²	65	22%	0.219	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	102.5	169.1	-175.5	-21	0	0	0	109.1	H58 K210 Q211 N212 N213	H58-D208 IonicContact CE1-OD2 3.2Å; H58-D208 PolarHBondContact CE1-OD2 3.24Å; D208-K210 VanDerWaalsContact C-N 3.33Å; D208-K210 WeakPolarHBondContact OD1-CA 3.44Å; D208-K210 WeakPolarHBondContact OD1-CB 3.44Å; D208-K210 PolarHBondContact OD1-N 2.94Å; D208-Q211 HydrophobicContact CB-CB 4.5Å; D208-Q211 PolarHBondContact OD1-N 3.31Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.42Å; D208-N212 CarbonylContact O-C 3.53Å; D208-N212 WeakPolarHBondContact O-CA 3.41Å; D208-N212 PolarHBondContact O-N 2.89Å; D208-N213 WeakPolarHBondContact CB-O 3.4Å; D208-N213 PolarHBondContact N-O 3.23Å; D208-N213 PolarHBondContact O-N 2.89Å; D208-N213 VanDerWaalsContact O-N 3.1Å
209	D	93.3	Very high	97.1	Very high	116 Å²	116	63 Å²	63	62%	0.62	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-25	178.6	-68.6	-47.2	0	0	0	113.1	R207	R207-D209 IonicContact CZ-OD1 3.68Å; R207-D209 IonicContact NE-OD1 2.8Å; R207-D209 PolarHBondContact NE-OD1 2.81Å; R207-D209 IonicContact NH2-OD1 3.79Å
210	K	92.6	Very high	97.1	Very high	204 Å²	204	58.8 Å²	58.8	89%	0.887	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-43.9	179.1	-65.2	-179.8	179.5	175.6	0	110.4	D208	D208-K210 VanDerWaalsContact C-N 3.33Å; D208-K210 WeakPolarHBondContact OD1-CA 3.44Å; D208-K210 WeakPolarHBondContact OD1-CB 3.44Å; D208-K210 PolarHBondContact OD1-N 2.94Å
211	Q	90.8	Very high	96.9	Very high	65 Å²	65	63.8 Å²	63.8	30%	0.304	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.6	177.9	-60.6	-151.5	11.4	0	0	113	H58 K181 D208 N213	H58-Q211 PolarHBondContact CE1-OE1 3.4Å; H58-Q211 PolarHBondContact NE2-NE2 2.81Å; H58-Q211 PolarHBondContact NE2-OE1 2.77Å; K181-Q211 WeakPolarHBondContact CD-O 3.35Å; K181-Q211 WeakPolarHBondContact CE-O 3.43Å; K181-Q211 PolarHBondContact NZ-O 2.96Å; D208-Q211 HydrophobicContact CB-CB 4.5Å; D208-Q211 PolarHBondContact OD1-N 3.31Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.42Å; Q211-N213 HydrophobicContact CB-CB 4.38Å; Q211-N213 PolarHBondContact O-N 3Å
212	N	96.1	Very high	96.2	Very high	65 Å²	65	63.8 Å²	63.8	35%	0.348	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	43	-174.4	-170.3	36	0	0	0	112.1	M182 D208	M182-N212 PolarHBondContact N-O 3.15Å; M182-N212 PolarHBondContact O-ND2 3.28Å; D208-N212 CarbonylContact O-C 3.53Å; D208-N212 WeakPolarHBondContact O-CA 3.41Å; D208-N212 PolarHBondContact O-N 2.89Å
213	N	97.1	Very high	95	Very high	2 Å²	2	70 Å²	70	1%	0.011	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.1	179.5	-170	85.1	0	0	0	109	A55 H58 S179 S180 K181 D208 Q211	A55-N213 VanDerWaalsContact CB-OD1 3.27Å; A55-N213 WeakPolarHBondContact CB-OD1 3.39Å; H58-N213 PolarHBondContact ND1-ND2 3.21Å; S179-N213 PolarHBondContact OG-ND2 3.31Å; S180-N213 WeakPolarHBondContact O-CA 3.21Å; S180-N213 PolarHBondContact O-OD1 3.15Å; K181-N213 PolarHBondContact N-OD1 2.94Å; K181-N213 VanDerWaalsContact N-OD1 3.1Å; D208-N213 WeakPolarHBondContact CB-O 3.4Å; D208-N213 PolarHBondContact N-O 3.23Å; D208-N213 PolarHBondContact O-N 2.89Å; D208-N213 VanDerWaalsContact O-N 3.1Å; Q211-N213 HydrophobicContact CB-CB 4.38Å; Q211-N213 PolarHBondContact O-N 3Å
214	N	98.4	Very high	92.7	Very high	6 Å²	6	78 Å²	78	3%	0.032	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.5	179.9	-70.8	-1	0	0	0	110.1	S179 S180 M182 L204 L206 Y216	S179-N214 WeakPolarHBondContact CA-O 3.1Å; S180-N214 PolarHBondContact N-O 3.32Å; S180-N214 PolarHBondContact O-N 3.41Å; M182-N214 HydrophobicContact CG-CB 4.16Å; M182-N214 WeakPolarHBondContact CG-ND2 3.2Å; M182-N214 HydrophobicContact SD-CB 3.89Å; L204-N214 HydrophobicContact CD1-CB 3.72Å; L206-N214 CarbonylContact O-C 3.59Å; L206-N214 WeakPolarHBondContact O-CA 3.27Å; N214-Y216 HydrophobicContact CB-CD2 4.13Å; N214-Y216 HydrophobicContact CB-CE2 3.42Å; N214-Y216 VanDerWaalsContact CB-CE2 3.42Å; N214-Y216 PolarHBondContact ND2-OH 2.64Å
215	I	98.7	Very high	92.4	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128	167.9	-53.9	177.8	0	0	0	108.2	L59 Y62 Y177 L178 V205 L206	L59-I215 HydrophobicContact CD1-CD1 4.4Å; L59-I215 HydrophobicContact CD1-CG2 4.05Å; Y62-I215 HydrophobicContact CD1-CD1 4.14Å; Y62-I215 HydrophobicContact CD1-CG2 4.3Å; Y62-I215 HydrophobicContact CD2-CD1 3.93Å; Y62-I215 HydrophobicContact CE1-CG2 4.43Å; Y62-I215 HydrophobicContact CG-CD1 3.51Å; Y177-I215 HydrophobicContact CD1-CG2 4.37Å; L178-I215 CarbonylContact O-C 3.53Å; L178-I215 VanDerWaalsContact O-CA 3.29Å; L178-I215 WeakPolarHBondContact O-CA 3.24Å; V205-I215 HydrophobicContact CG2-CB 4.06Å; V205-I215 HydrophobicContact CG2-CG2 3.75Å; V205-I215 VanDerWaalsContact CG2-O 3.23Å; V205-I215 WeakPolarHBondContact CG2-O 3.09Å; V205-I215 PolarHBondContact N-O 2.95Å; L206-I215 HydrophobicContact CB-CB 3.96Å; L206-I215 HydrophobicContact CB-CD1 4.27Å; L206-I215 HydrophobicContact CB-CG1 4.2Å; L206-I215 HydrophobicContact CD2-CD1 3.71Å; L206-I215 HydrophobicContact CD2-CG1 4.21Å; L206-I215 PolarHBondContact N-O 2.84Å; L206-I215 VanDerWaalsContact N-O 3.15Å; L206-I215 PolarHBondContact O-N 3.27Å
216	Y	98.8	Very high	92.1	Very high	25 Å²	25	80.3 Å²	80.3	10%	0.098	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.9	177.1	-63.3	-93.1	0	0	0	109.7	Y177 L178 M182 Y192 V202 E203 L204 N214	Y177-Y216 WeakPolarHBondContact CA-O 3.19Å; L178-Y216 PolarHBondContact N-O 2.9Å; L178-Y216 PolarHBondContact O-N 2.8Å; M182-Y216 HydrophobicContact SD-CE2 4.16Å; Y192-Y216 AromaticContact CD1-CD1 3.89Å; Y192-Y216 HydrophobicContact CD1-CD1 3.89Å; Y192-Y216 AromaticContact CD1-CD2 3.53Å; Y192-Y216 HydrophobicContact CD1-CD2 3.53Å; Y192-Y216 HydrophobicContact CD1-CE1 4.19Å; Y192-Y216 AromaticContact CD1-CE2 3.85Å; Y192-Y216 HydrophobicContact CD1-CE2 3.85Å; Y192-Y216 AromaticContact CD1-CG 3.53Å; Y192-Y216 HydrophobicContact CD1-CG 3.53Å; Y192-Y216 HydrophobicContact CD2-CD2 4.02Å; Y192-Y216 AromaticContact CD2-CE2 3.53Å; Y192-Y216 HydrophobicContact CD2-CE2 3.53Å; Y192-Y216 AromaticContact CD2-CZ 3.85Å; Y192-Y216 HydrophobicContact CE1-CD1 4.36Å; Y192-Y216 AromaticContact CE1-CD2 3.24Å; Y192-Y216 HydrophobicContact CE1-CD2 3.24Å; Y192-Y216 AromaticContact CE1-CE2 3.83Å; Y192-Y216 HydrophobicContact CE1-CE2 3.83Å; Y192-Y216 AromaticContact CE1-CG 3.55Å; Y192-Y216 HydrophobicContact CE1-CG 3.55Å; Y192-Y216 AromaticContact CE2-CD2 3.78Å; Y192-Y216 HydrophobicContact CE2-CD2 3.78Å; Y192-Y216 AromaticContact CE2-CE2 3.52Å; Y192-Y216 HydrophobicContact CE2-CE2 3.52Å; Y192-Y216 HydrophobicContact CG-CD1 4.23Å; Y192-Y216 AromaticContact CG-CD2 3.91Å; Y192-Y216 HydrophobicContact CG-CD2 3.91Å; Y192-Y216 HydrophobicContact CG-CE1 4.04Å; Y192-Y216 AromaticContact CG-CE2 3.7Å; Y192-Y216 HydrophobicContact CG-CE2 3.7Å; Y192-Y216 HydrophobicContact CG-CG 4.15Å; Y192-Y216 AromaticContact CG-CZ 3.78Å; Y192-Y216 AromaticContact CZ-CD2 3.37Å; Y192-Y216 AromaticContact CZ-CE2 3.67Å; V202-Y216 HydrophobicContact CG1-CD1 3.87Å; V202-Y216 HydrophobicContact CG1-CG 4.47Å; E203-Y216 CarbonylContact O-C 3.58Å; E203-Y216 WeakPolarHBondContact O-CA 3.45Å; L204-Y216 HydrophobicContact CB-CD1 4.08Å; L204-Y216 HydrophobicContact CB-CE1 3.9Å; L204-Y216 HydrophobicContact CD1-CD1 4.09Å; L204-Y216 HydrophobicContact CD1-CE1 3.69Å; L204-Y216 HydrophobicContact CD1-CE2 4.18Å; L204-Y216 HydrophobicContact CD1-CG 4.5Å; L204-Y216 HydrophobicContact CG-CE1 4.33Å; N214-Y216 HydrophobicContact CB-CD2 4.13Å; N214-Y216 HydrophobicContact CB-CE2 3.42Å; N214-Y216 VanDerWaalsContact CB-CE2 3.42Å; N214-Y216 PolarHBondContact ND2-OH 2.64Å
217	R	98.6	Very high	91.8	Very high	81 Å²	81	81.1 Å²	81.1	31%	0.306	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.9	167.6	-178.8	178.8	169	-84.9	-11.6	107.9	V175 V176 Y177 E203 V205	V175-R217 HydrophobicContact CG1-CG 3.68Å; V176-R217 CarbonylContact O-C 3.58Å; V176-R217 VanDerWaalsContact O-CA 3.32Å; V176-R217 WeakPolarHBondContact O-CA 3.45Å; Y177-R217 HydrophobicContact CD1-CB 4.36Å; Y177-R217 HydrophobicContact CE1-CB 4.08Å; Y177-R217 HydrophobicContact CE1-CG 4.11Å; E203-R217 PolarHBondContact N-O 2.83Å; E203-R217 PolarHBondContact O-N 2.79Å; E203-R217 IonicContact OE2-NH1 3.68Å; E203-R217 PolarHBondContact OE2-NH1 3.19Å; V205-R217 HydrophobicContact CG1-CB 3.54Å; V205-R217 HydrophobicContact CG2-CB 4.28Å
218	A	98.6	Very high	91.4	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148	179	0	0	0	0	0	112.7	V176 L178 L196 F200 D201 V202	V176-A218 HydrophobicContact CB-CB 4.21Å; V176-A218 PolarHBondContact N-O 2.96Å; V176-A218 PolarHBondContact O-N 3.07Å; L178-A218 HydrophobicContact CD1-CB 4.36Å; L196-A218 HydrophobicContact CD2-CB 4.11Å; F200-A218 HydrophobicContact CB-CB 4.14Å; F200-A218 HydrophobicContact CD1-CB 4.14Å; F200-A218 HydrophobicContact CG-CB 4.44Å; D201-A218 WeakPolarHBondContact O-CA 3.43Å; V202-A218 HydrophobicContact CG2-CB 4.26Å
219	S	98.2	Very high	91.2	Very high	34 Å²	34	79.3 Å²	79.3	24%	0.238	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.8	174.6	-59.6	0	0	0	0	109.3	F200 D201 R221	F200-S219 CarbonylContact C-O 3.58Å; F200-S219 VanDerWaalsContact CA-O 3.31Å; F200-S219 WeakPolarHBondContact CA-O 3.3Å; F200-S219 VanDerWaalsContact CD1-C 3.45Å; D201-S219 PolarHBondContact N-O 2.75Å; D201-S219 PolarHBondContact O-N 2.76Å; S219-R221 PolarHBondContact O-N 2.83Å
220	K	97.1	Very high	91.1	Very high	47 Å²	47	76.9 Å²	76.9	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.5	-177.6	-168.7	-172.2	171.7	-171.1	0	109	C170 F200 E223	C170-K220 HydrophobicContact CB-CB 4.09Å; F200-K220 HydrophobicContact CD1-CB 4.16Å; F200-K220 HydrophobicContact CE1-CB 3.84Å; F200-K220 HydrophobicContact CE1-CG 4.4Å; F200-K220 HydrophobicContact CZ-CB 4.36Å; F200-K220 HydrophobicContact CZ-CG 4.46Å; K220-E223 IonicContact NZ-OE1 2.65Å; K220-E223 PolarHBondContact NZ-OE1 3.19Å
221	R	94.9	Very high	91	Very high	105 Å²	105	67.8 Å²	67.8	40%	0.396	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66.2	145.8	172.4	-70.5	-176.7	-179.9	142.9	10.4	109.8	Q197 R199 F200 D201 S219 E223	Q197-R221 PolarHBondContact O-NH1 2.83Å; Q197-R221 PolarHBondContact O-NH2 2.92Å; R199-R221 PolarHBondContact O-N 2.88Å; F200-R221 PolarHBondContact O-NH2 3.49Å; D201-R221 IonicContact OD1-CZ 3.76Å; D201-R221 IonicContact OD1-NE 2.82Å; D201-R221 PolarHBondContact OD1-NE 2.85Å; D201-R221 IonicContact OD1-NH2 2.69Å; D201-R221 PolarHBondContact OD1-NH2 3.01Å; S219-R221 PolarHBondContact O-N 2.83Å; R221-E223 PolarHBondContact O-N 3.46Å
222	A	83.6	Confident	91	Very high	91 Å²	91	68 Å²	68	75%	0.752	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-58.8	135.7	166.1	0	0	0	0	0	108.5	E224	A222-E224 PolarHBondContact O-N 3.1Å
223	E	72.5	Confident	90.5	Very high	159 Å²	159	68.3 Å²	68.3	74%	0.743	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-67.8	119.6	170	-70.8	168.4	-162	0	0	106.7	K220 R221	K220-E223 IonicContact NZ-OE1 2.65Å; K220-E223 PolarHBondContact NZ-OE1 3.19Å; R221-E223 PolarHBondContact O-N 3.46Å
224	E	50.1	Low	90	Very high	269 Å²	269	74.3 Å²	74.3	100%	1.257	37%	0.366	S	S	*	.			trans	-66.1	0	174	-70.7	-178.1	167.7	0	0	112	A222	A222-E224 PolarHBondContact O-N 3.1Å

Retrieved 224 of 224 residues in 314.3 ms (Link to these results)

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